A0A087XPG1_POEFO Loading...

Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase

AlphaFold DB , UniProt , Accession A0A087XPG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 759 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	31.9	Very low	227 Å²	227	166.3 Å²	166.3	100%	1.118	86%	0.862	S	S	*	*				0	93.6	0	-88.6	163.1	48.9	0	0	106.9
2	W	28.6	Very low	33.1	Very low	228 Å²	228	166.3 Å²	166.3	86%	0.864	86%	0.864	S	S	*	*				64.7	120.1	100.2	-78.4	53.9	0	0	0	110.9
3	K	28.6	Very low	34.5	Very low	159 Å²	159	167 Å²	167	69%	0.691	85%	0.849	S	S	*	*			cis	-160.3	144.4	25.6	-114.3	176.4	171.1	-177.7	0	110.7
4	M	31.1	Very low	35.8	Very low	168 Å²	168	161.4 Å²	161.4	83%	0.828	82%	0.822	S	S	*	*			trans	-80.1	147.9	155.9	-69.9	166.2	76.2	0	0	109.6
5	E	29.5	Very low	36.6	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.864	81%	0.811	S	S	*	*			trans	-131.5	138.8	150.5	-105	174.4	-166.3	0	0	110.6
6	K	31.5	Very low	37.2	Very low	191 Å²	191	155.8 Å²	155.8	83%	0.83	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-88	148.3	-164.5	-69.6	169.2	168.5	176.1	0	111.6
7	Q	28.7	Very low	37.8	Very low	192 Å²	192	153.1 Å²	153.1	90%	0.897	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-98.4	143	148.9	-83.1	-169.2	-11.5	0	0	110.3
8	P	35.6	Very low	38.2	Very low	131 Å²	131	150.2 Å²	150.2	85%	0.851	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-98.2	154	-174.7	36.9	-31.1	0	0	0	113.3
9	G	30.6	Very low	39.2	Very low	78 Å²	78	149.6 Å²	149.6	80%	0.804	76%	0.756	S	S	*	*			trans	118.6	60.2	149.6	0	0	0	0	0	117.9
10	A	32.2	Very low	39.9	Very low	105 Å²	105	149.9 Å²	149.9	87%	0.868	75%	0.749	S	S	*	*			trans	-77.1	115.7	156.9	0	0	0	0	0	109.3
11	L	39.4	Very low	40.4	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	73%	0.732	S	S	*	*			trans	-85.4	113.4	161.9	-92.7	151	0	0	0	108.2	R13	L11-R13 PolarHBondContact O-N 3.24Å; L11-R13 VanDerWaalsContact O-N 3.12Å
12	N	46.3	Very low	41.5	Very low	167 Å²	167	144.8 Å²	144.8	89%	0.893	71%	0.713	S	S	*	*			trans	-52.7	109.9	168.7	-96	-17.7	0	0	0	110.1
13	R	51.2	Low	42.6	Very low	175 Å²	175	138.4 Å²	138.4	66%	0.66	69%	0.694	S	S	*	*			trans	-92.3	135.4	165.9	-70.6	-170.3	-178.4	-175.7	-0.2	109.9	L11	L11-R13 PolarHBondContact O-N 3.24Å; L11-R13 VanDerWaalsContact O-N 3.12Å
14	N	52.8	Low	43.9	Very low	88 Å²	88	136.1 Å²	136.1	47%	0.471	69%	0.686	S	S	.	*			trans	-62	134.1	-175.4	-176.7	-20.9	0	0	0	110.2	H16 E17 L18	N14-H16 PolarHBondContact O-N 3.24Å; N14-H16 PolarHBondContact OD1-N 2.79Å; N14-H16 VanDerWaalsContact OD1-N 3.1Å; N14-E17 PolarHBondContact O-N 3.31Å; N14-L18 PolarHBondContact O-N 3.4Å
15	P	47.8	Very low	44.9	Very low	102 Å²	102	136.9 Å²	136.9	66%	0.662	68%	0.68	S	S	*	*	H	α-helix	trans	-51.4	-28.5	176.4	-27.4	33.3	0	0	0	114.3	Y19	P15-Y19 PolarHBondContact O-N 3.47Å
16	H	46.3	Very low	46.1	Very low	132 Å²	132	132 Å²	132	61%	0.611	66%	0.663	S	S	*	*	H	α-helix	trans	-70.6	-33.3	175.9	-77.8	-81.2	0	0	0	113.9	N14 Y19 Y20	N14-H16 PolarHBondContact O-N 3.24Å; N14-H16 PolarHBondContact OD1-N 2.79Å; N14-H16 VanDerWaalsContact OD1-N 3.1Å; H16-Y19 PolarHBondContact O-N 3.44Å; H16-Y20 WeakPolarHBondContact O-CD2 3.49Å; H16-Y20 PolarHBondContact O-N 2.87Å; H16-Y20 VanDerWaalsContact O-N 3.13Å
17	E	47.5	Very low	46.9	Very low	110 Å²	110	129.6 Å²	129.6	51%	0.514	65%	0.652	S	S	.	*	H	α-helix	trans	-70.3	-38.3	175.1	-81.3	-176.9	141.5	0	0	111.6	N14 Y19 Y20 L21	N14-E17 PolarHBondContact O-N 3.31Å; E17-Y19 VanDerWaalsContact C-N 3.27Å; E17-Y19 PolarHBondContact O-N 2.96Å; E17-Y20 PolarHBondContact O-N 3.37Å; E17-L21 WeakPolarHBondContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.33Å; E17-L21 PolarHBondContact O-N 3.23Å
18	L	45.6	Very low	47.9	Very low	100 Å²	100	126.2 Å²	126.2	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-65.1	-32.3	176.5	-78.2	162.5	0	0	0	112.3	N14 R22	N14-L18 PolarHBondContact O-N 3.4Å; L18-R22 PolarHBondContact O-N 3.38Å
19	Y	56.3	Low	48.7	Very low	139 Å²	139	126.5 Å²	126.5	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-71.6	-44.7	174.5	-178.7	-103.9	0	0	0	112.2	P15 H16 E17 R22 M23	P15-Y19 PolarHBondContact O-N 3.47Å; H16-Y19 PolarHBondContact O-N 3.44Å; E17-Y19 VanDerWaalsContact C-N 3.27Å; E17-Y19 PolarHBondContact O-N 2.96Å; Y19-R22 PolarHBondContact O-N 3.5Å; Y19-M23 HydrophobicContact CD1-CE 4.27Å; Y19-M23 HydrophobicContact CE1-CE 3.4Å; Y19-M23 HydrophobicContact CE1-CG 4.47Å; Y19-M23 PolarHBondContact O-N 2.85Å
20	Y	54.2	Low	49.5	Very low	156 Å²	156	127.4 Å²	127.4	61%	0.612	61%	0.609	S	S	*	*	H	α-helix	trans	-63.9	-41.4	175.9	-96.2	-83.6	0	0	0	112.5	H16 E17 R22 M23 Q24	H16-Y20 WeakPolarHBondContact O-CD2 3.49Å; H16-Y20 PolarHBondContact O-N 2.87Å; H16-Y20 VanDerWaalsContact O-N 3.13Å; E17-Y20 PolarHBondContact O-N 3.37Å; Y20-R22 VanDerWaalsContact C-N 3.32Å; Y20-R22 PolarHBondContact O-N 2.91Å; Y20-M23 PolarHBondContact O-N 2.78Å; Y20-Q24 WeakPolarHBondContact O-CB 3.29Å; Y20-Q24 PolarHBondContact O-N 3.27Å
21	L	49.6	Very low	50.1	Low	77 Å²	77	126.3 Å²	126.3	40%	0.403	59%	0.588	S	S	.	*	H	α-helix	trans	-64.6	-34	175.3	-78.6	162.1	0	0	0	112.7	E17 R25	E17-L21 WeakPolarHBondContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.33Å; E17-L21 PolarHBondContact O-N 3.23Å; L21-R25 WeakPolarHBondContact O-CG 3.4Å; L21-R25 PolarHBondContact O-N 3.36Å; L21-R25 VanDerWaalsContact O-N 3.08Å
22	R	57.2	Low	50.5	Low	192 Å²	192	124.5 Å²	124.5	73%	0.725	58%	0.575	S	S	*	*	H	α-helix	trans	-68.5	-45.2	172.3	-87.3	-175.9	-175.5	177.9	2.2	111.5	L18 Y19 Y20 Q24 R25 T26	L18-R22 PolarHBondContact O-N 3.38Å; Y19-R22 PolarHBondContact O-N 3.5Å; Y20-R22 VanDerWaalsContact C-N 3.32Å; Y20-R22 PolarHBondContact O-N 2.91Å; R22-Q24 PolarHBondContact O-N 3.44Å; R22-R25 PolarHBondContact O-N 3.13Å; R22-T26 PolarHBondContact O-N 2.98Å; R22-T26 PolarHBondContact O-OG1 3.43Å
23	M	52.3	Low	50.4	Low	94 Å²	94	121.3 Å²	121.3	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-64.9	-37.6	177	-82.9	-134.7	-90	0	0	112.7	Y19 Y20 T26 K27	Y19-M23 HydrophobicContact CD1-CE 4.27Å; Y19-M23 HydrophobicContact CE1-CE 3.4Å; Y19-M23 HydrophobicContact CE1-CG 4.47Å; Y19-M23 PolarHBondContact O-N 2.85Å; Y20-M23 PolarHBondContact O-N 2.78Å; M23-T26 PolarHBondContact O-N 2.9Å; M23-K27 VanDerWaalsContact O-CB 3.28Å; M23-K27 WeakPolarHBondContact O-CB 3.28Å; M23-K27 PolarHBondContact O-N 2.93Å
24	Q	55.6	Low	49.9	Very low	111 Å²	111	118.6 Å²	118.6	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-46.4	172.9	-108.2	176.7	-25.7	0	0	111.4	Y20 R22 T26 K27 E28	Y20-Q24 WeakPolarHBondContact O-CB 3.29Å; Y20-Q24 PolarHBondContact O-N 3.27Å; R22-Q24 PolarHBondContact O-N 3.44Å; Q24-T26 VanDerWaalsContact C-N 3.34Å; Q24-T26 PolarHBondContact O-N 3.27Å; Q24-K27 PolarHBondContact O-N 2.91Å; Q24-E28 WeakPolarHBondContact O-CB 3.45Å; Q24-E28 VanDerWaalsContact O-CG 3.3Å; Q24-E28 WeakPolarHBondContact O-CG 3.31Å; Q24-E28 PolarHBondContact O-N 3.46Å
25	R	53	Low	49.5	Very low	184 Å²	184	118.2 Å²	118.2	69%	0.694	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-37.5	175.5	-78.4	-178.7	179.6	-174.4	-0.4	113.1	L21 R22 K29	L21-R25 WeakPolarHBondContact O-CG 3.4Å; L21-R25 PolarHBondContact O-N 3.36Å; L21-R25 VanDerWaalsContact O-N 3.08Å; R22-R25 PolarHBondContact O-N 3.13Å; R25-K29 VanDerWaalsContact O-CB 3.32Å; R25-K29 WeakPolarHBondContact O-CB 3.49Å; R25-K29 PolarHBondContact O-N 3.03Å
26	T	53.8	Low	49.2	Very low	83 Å²	83	118.4 Å²	118.4	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-38	176.1	-51.7	0	0	0	0	111.3	R22 M23 Q24 K29 M30	R22-T26 PolarHBondContact O-N 2.98Å; R22-T26 PolarHBondContact O-OG1 3.43Å; M23-T26 PolarHBondContact O-N 2.9Å; Q24-T26 VanDerWaalsContact C-N 3.34Å; Q24-T26 PolarHBondContact O-N 3.27Å; T26-K29 PolarHBondContact O-N 3.41Å; T26-M30 HydrophobicContact CG2-SD 4.33Å; T26-M30 WeakPolarHBondContact O-CB 3.39Å; T26-M30 VanDerWaalsContact O-CG 3.27Å; T26-M30 WeakPolarHBondContact O-CG 3.39Å; T26-M30 PolarHBondContact O-N 3.42Å
27	K	48.1	Very low	48.8	Very low	140 Å²	140	118.8 Å²	118.8	61%	0.609	54%	0.543	S	S	*	.	H	α-helix	trans	-70.7	-41.4	176.8	-160.2	176.4	-176.7	-176.2	0	111.9	M23 Q24 K29 M30 D31	M23-K27 VanDerWaalsContact O-CB 3.28Å; M23-K27 WeakPolarHBondContact O-CB 3.28Å; M23-K27 PolarHBondContact O-N 2.93Å; Q24-K27 PolarHBondContact O-N 2.91Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.17Å; K27-M30 PolarHBondContact O-N 2.94Å; K27-D31 VanDerWaalsContact O-CB 3.29Å; K27-D31 WeakPolarHBondContact O-CB 3.37Å; K27-D31 VanDerWaalsContact O-CG 3.27Å; K27-D31 PolarHBondContact O-N 3.24Å
28	E	51	Low	48.3	Very low	121 Å²	121	119.1 Å²	119.1	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-60.5	-39.2	170.8	-75.8	169.1	176.2	0	0	111.3	Q24 H32	Q24-E28 WeakPolarHBondContact O-CB 3.45Å; Q24-E28 VanDerWaalsContact O-CG 3.3Å; Q24-E28 WeakPolarHBondContact O-CG 3.31Å; Q24-E28 PolarHBondContact O-N 3.46Å; E28-H32 WeakPolarHBondContact O-CB 3.27Å; E28-H32 PolarHBondContact O-N 3.1Å
29	K	52.7	Low	48.2	Very low	138 Å²	138	120.3 Å²	120.3	60%	0.6	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-42.5	175.7	-139.9	-178.2	-176.2	-161.3	0	112.7	R25 T26 K27 H32 E33	R25-K29 VanDerWaalsContact O-CB 3.32Å; R25-K29 WeakPolarHBondContact O-CB 3.49Å; R25-K29 PolarHBondContact O-N 3.03Å; T26-K29 PolarHBondContact O-N 3.41Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.17Å; K29-H32 PolarHBondContact O-N 3.4Å; K29-E33 WeakPolarHBondContact O-CB 3.41Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.5Å; K29-E33 PolarHBondContact O-N 3.27Å
30	M	45.7	Very low	47.6	Very low	96 Å²	96	121.2 Å²	121.2	47%	0.473	56%	0.558	S	S	.	*	H	α-helix	trans	-69.6	-34	176.2	-72.6	177.5	70.2	0	0	112.5	T26 K27 K34	T26-M30 HydrophobicContact CG2-SD 4.33Å; T26-M30 WeakPolarHBondContact O-CB 3.39Å; T26-M30 VanDerWaalsContact O-CG 3.27Å; T26-M30 WeakPolarHBondContact O-CG 3.39Å; T26-M30 PolarHBondContact O-N 3.42Å; K27-M30 PolarHBondContact O-N 2.94Å; M30-K34 WeakPolarHBondContact O-CB 3.37Å; M30-K34 VanDerWaalsContact O-CG 3.3Å; M30-K34 WeakPolarHBondContact O-CG 3.26Å; M30-K34 PolarHBondContact O-N 3.41Å
31	D	45.6	Very low	47	Very low	82 Å²	82	121.4 Å²	121.4	44%	0.439	56%	0.564	S	S	.	*	H	α-helix	trans	-72.9	-34.3	173.6	-72.1	-21.5	0	0	0	110.1	K27 T35	K27-D31 VanDerWaalsContact O-CB 3.29Å; K27-D31 WeakPolarHBondContact O-CB 3.37Å; K27-D31 VanDerWaalsContact O-CG 3.27Å; K27-D31 PolarHBondContact O-N 3.24Å; D31-T35 WeakPolarHBondContact O-CB 3.45Å; D31-T35 PolarHBondContact O-N 3.26Å; D31-T35 PolarHBondContact O-OG1 3.47Å
32	H	48.2	Very low	46.9	Very low	127 Å²	127	125.1 Å²	125.1	59%	0.588	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-46	171.2	-132.2	-11.8	0	0	0	111.8	E28 K29 K34 T35 E36	E28-H32 WeakPolarHBondContact O-CB 3.27Å; E28-H32 PolarHBondContact O-N 3.1Å; K29-H32 PolarHBondContact O-N 3.4Å; H32-K34 PolarHBondContact O-N 3.37Å; H32-T35 PolarHBondContact O-N 2.68Å; H32-T35 VanDerWaalsContact O-N 3.13Å; H32-E36 PolarHBondContact O-N 2.58Å
33	E	44.8	Very low	47.2	Very low	101 Å²	101	122.3 Å²	122.3	47%	0.472	58%	0.578	S	S	.	*	H	α-helix	trans	-63	-38.5	177	-76.1	167.8	-176.3	0	0	111.6	K29 E36 E37	K29-E33 WeakPolarHBondContact O-CB 3.41Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.5Å; K29-E33 PolarHBondContact O-N 3.27Å; E33-E36 PolarHBondContact O-N 3.23Å; E33-E37 WeakPolarHBondContact O-CB 3.45Å; E33-E37 PolarHBondContact O-N 2.97Å
34	K	40.8	Very low	48.8	Very low	118 Å²	118	126 Å²	126	51%	0.513	59%	0.586	S	S	.	*	H	α-helix	trans	-71.4	-26.4	172.9	-79.4	178	177	-179.9	0	114.2	M30 H32 N38	M30-K34 WeakPolarHBondContact O-CB 3.37Å; M30-K34 VanDerWaalsContact O-CG 3.3Å; M30-K34 WeakPolarHBondContact O-CG 3.26Å; M30-K34 PolarHBondContact O-N 3.41Å; H32-K34 PolarHBondContact O-N 3.37Å; K34-N38 PolarHBondContact O-N 3.29Å; K34-N38 PolarHBondContact O-ND2 2.91Å
35	T	42.8	Very low	50.6	Low	80 Å²	80	127 Å²	127	49%	0.491	59%	0.586	S	S	.	*	H	α-helix	trans	-79	-36.3	175.5	-48.2	0	0	0	0	110.2	D31 H32 L39	D31-T35 WeakPolarHBondContact O-CB 3.45Å; D31-T35 PolarHBondContact O-N 3.26Å; D31-T35 PolarHBondContact O-OG1 3.47Å; H32-T35 PolarHBondContact O-N 2.68Å; H32-T35 VanDerWaalsContact O-N 3.13Å; T35-L39 HydrophobicContact CG2-CD1 4.49Å; T35-L39 WeakPolarHBondContact O-CD1 3.34Å; T35-L39 WeakPolarHBondContact O-CG 3.3Å; T35-L39 PolarHBondContact O-N 2.86Å
36	E	42.1	Very low	52.7	Low	106 Å²	106	119 Å²	119	50%	0.495	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-47.1	171	-75.9	-177	164.1	0	0	111.7	H32 E33 N38 L39 Y40	H32-E36 PolarHBondContact O-N 2.58Å; E33-E36 PolarHBondContact O-N 3.23Å; E36-N38 VanDerWaalsContact C-N 3.27Å; E36-N38 PolarHBondContact O-N 3.04Å; E36-L39 PolarHBondContact O-N 3.25Å; E36-Y40 VanDerWaalsContact O-CD2 3.26Å; E36-Y40 WeakPolarHBondContact O-CD2 3.39Å; E36-Y40 PolarHBondContact O-N 3.13Å
37	E	37.4	Very low	54.8	Low	140 Å²	140	118.1 Å²	118.1	65%	0.654	55%	0.546	S	S	*	.	H	α-helix	trans	-59.2	-33.8	177.6	-82.4	-176.7	157.9	0	0	113.4	E33	E33-E37 WeakPolarHBondContact O-CB 3.45Å; E33-E37 PolarHBondContact O-N 2.97Å
38	N	37.1	Very low	57.2	Low	117 Å²	117	111.5 Å²	111.5	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-78.2	-23.6	175.8	-85.9	-41.8	0	0	0	113.9	K34 E36	K34-N38 PolarHBondContact O-N 3.29Å; K34-N38 PolarHBondContact O-ND2 2.91Å; E36-N38 VanDerWaalsContact C-N 3.27Å; E36-N38 PolarHBondContact O-N 3.04Å
39	L	43.6	Very low	59.5	Low	124 Å²	124	105.7 Å²	105.7	65%	0.649	49%	0.49	S	S	*	.	H	α-helix	trans	-75	-31.9	175.5	-86.6	156.4	0	0	0	112.2	T35 E36	T35-L39 HydrophobicContact CG2-CD1 4.49Å; T35-L39 WeakPolarHBondContact O-CD1 3.34Å; T35-L39 WeakPolarHBondContact O-CG 3.3Å; T35-L39 PolarHBondContact O-N 2.86Å; E36-L39 PolarHBondContact O-N 3.25Å
40	Y	45.2	Very low	61.7	Low	159 Å²	159	99.2 Å²	99.2	62%	0.624	46%	0.462	S	S	*	.	H	α-helix	trans	-74.4	-23	179.9	-83.7	-81	0	0	0	114.1	E36 N42	E36-Y40 VanDerWaalsContact O-CD2 3.26Å; E36-Y40 WeakPolarHBondContact O-CD2 3.39Å; E36-Y40 PolarHBondContact O-N 3.13Å; Y40-N42 VanDerWaalsContact C-N 3.26Å; Y40-N42 PolarHBondContact O-N 3.08Å
41	Q	40.2	Very low	64.2	Low	159 Å²	159	94.8 Å²	94.8	74%	0.743	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.9	-176.5	-78.1	-171.6	-12.5	0	0	115.1
42	N	47	Very low	66.7	Low	155 Å²	155	90.9 Å²	90.9	83%	0.829	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	10.5	-176.4	-101.9	-16.4	0	0	0	114.8	Y40 R44	Y40-N42 VanDerWaalsContact C-N 3.26Å; Y40-N42 PolarHBondContact O-N 3.08Å; N42-R44 PolarHBondContact O-N 3.16Å
43	K	64.6	Low	69	Low	134 Å²	134	85 Å²	85	58%	0.583	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-79.9	117.9	-178.8	-149.2	175.4	-178.4	-171.5	0	110	R45	K43-R45 PolarHBondContact O-N 3.05Å
44	R	85.6	Confident	71.4	Confident	170 Å²	170	80.2 Å²	80.2	64%	0.642	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-56.1	131.2	171.7	169.9	-178.1	166.9	166.9	-1.6	109	N42 D141	N42-R44 PolarHBondContact O-N 3.16Å; R44-D141 IonicContact CZ-OD1 3.22Å; R44-D141 IonicContact NE-OD2 3.59Å; R44-D141 IonicContact NH2-OD1 3.68Å; R44-D141 PolarHBondContact NH2-OD1 3.21Å; R44-D141 IonicContact NH2-OD2 3.86Å; R44-D141 PolarHBondContact NH2-OD2 2.99Å
45	R	94.1	Very high	73.9	Confident	133 Å²	133	76.3 Å²	76.3	50%	0.502	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.7	140.5	174.2	-59.9	-178.4	-169.2	176.1	2	110.5	K43 K47 P72 E74	K43-R45 PolarHBondContact O-N 3.05Å; R45-K47 PolarHBondContact O-N 2.63Å; R45-P72 WeakPolarHBondContact CD-O 3.4Å; R45-P72 PolarHBondContact NE-O 3.37Å; R45-P72 PolarHBondContact NH1-O 2.92Å; R45-E74 WeakPolarHBondContact CA-O 3.18Å
46	L	97.1	Very high	76.2	Confident	16 Å²	16	74.2 Å²	74.2	8%	0.084	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.8	175	-175.7	71.8	0	0	0	109.5	V48 E74 F75 E76 D141 I142 L411 L416	L46-V48 HydrophobicContact CD2-CG2 3.94Å; L46-V48 HydrophobicContact CG-CG2 4Å; L46-V48 PolarHBondContact O-N 3.35Å; L46-E74 PolarHBondContact N-O 3.1Å; L46-F75 HydrophobicContact CB-CD1 4.01Å; L46-F75 HydrophobicContact CB-CE1 4.37Å; L46-F75 HydrophobicContact CD2-CD1 4.12Å; L46-F75 HydrophobicContact CD2-CE1 3.94Å; L46-F75 WeakPolarHBondContact O-CA 3.39Å; L46-E76 PolarHBondContact O-N 3.21Å; L46-D141 HydrophobicContact CD1-CB 3.58Å; L46-D141 HydrophobicContact CG-CB 4.44Å; L46-I142 HydrophobicContact CD2-CG2 4.15Å; L46-I142 HydrophobicContact CG-CG2 4.35Å; L46-L411 HydrophobicContact CD2-CB 4.04Å; L46-L411 HydrophobicContact CD2-CD2 4.41Å; L46-L416 HydrophobicContact CD1-CD1 4.14Å; L46-L416 HydrophobicContact CD1-CD2 3.82Å; L46-L416 HydrophobicContact CD1-CG 4.36Å
47	K	97.9	Very high	78.7	Confident	65 Å²	65	69.8 Å²	69.8	28%	0.283	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.2	176.3	-64.5	-170.9	174.9	-148.3	0	110.7	R45 E76 D141 I142	R45-K47 PolarHBondContact O-N 2.63Å; K47-E76 WeakPolarHBondContact CE-OE1 3.47Å; K47-E76 VanDerWaalsContact CE-OE2 3.24Å; K47-E76 WeakPolarHBondContact CE-OE2 3.34Å; K47-E76 HydrophobicContact CG-CB 4.18Å; K47-E76 HydrophobicContact CG-CG 4.46Å; K47-E76 IonicContact NZ-OE1 2.67Å; K47-E76 PolarHBondContact NZ-OE1 3.07Å; K47-E76 IonicContact NZ-OE2 2.74Å; K47-D141 HydrophobicContact CB-CB 4.41Å; K47-D141 WeakPolarHBondContact CB-OD2 3.4Å; K47-D141 PolarHBondContact N-OD2 2.85Å; K47-D141 PolarHBondContact O-N 2.93Å; K47-I142 PolarHBondContact O-N 3.46Å
48	V	98.5	Very high	81.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.9	-176.3	-174.9	0	0	0	0	109.5	L46 V50 L68 F75 E76 E78 I142 I144	L46-V48 HydrophobicContact CD2-CG2 3.94Å; L46-V48 HydrophobicContact CG-CG2 4Å; L46-V48 PolarHBondContact O-N 3.35Å; V48-V50 HydrophobicContact CG1-CG2 4.18Å; V48-L68 HydrophobicContact CB-CD1 4.27Å; V48-L68 HydrophobicContact CG1-CD1 3.74Å; V48-L68 HydrophobicContact CG2-CD2 4.13Å; V48-F75 HydrophobicContact CG2-CD1 3.95Å; V48-E76 PolarHBondContact N-O 3.18Å; V48-E78 PolarHBondContact O-N 3.04Å; V48-I142 HydrophobicContact CB-CG2 4.31Å; V48-I142 HydrophobicContact CG1-CG2 4.19Å; V48-I142 HydrophobicContact CG2-CG2 3.87Å; V48-I144 HydrophobicContact CG1-CD1 3.7Å; V48-I144 HydrophobicContact CG1-CG1 3.81Å
49	C	98.6	Very high	84.4	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.4	168	-178.3	0	0	0	0	109.3	E78 P140 I142 L143 I144	C49-E78 CarbonylContact C-O 3.59Å; C49-E78 WeakPolarHBondContact CA-O 3.48Å; C49-P140 HydrophobicContact CB-CB 3.6Å; C49-P140 HydrophobicContact CB-CG 3.95Å; C49-I142 PolarHBondContact N-O 3.11Å; C49-L143 HydrophobicContact CB-CD1 3.78Å; C49-L143 WeakPolarHBondContact O-CA 3.15Å; C49-L143 WeakPolarHBondContact O-CD1 3.3Å; C49-L143 VanDerWaalsContact SG-CD1 3.51Å; C49-I144 PolarHBondContact O-N 3.2Å
50	V	98.6	Very high	86.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.1	170.1	-177.2	0	0	0	0	108.4	V48 L61 M65 L68 L77 E78 V80 I144	V48-V50 HydrophobicContact CG1-CG2 4.18Å; V50-L61 HydrophobicContact CG1-CB 4.24Å; V50-L61 HydrophobicContact CG1-CD1 4.11Å; V50-L61 HydrophobicContact CG1-CD2 4.11Å; V50-L61 HydrophobicContact CG1-CG 4.4Å; V50-M65 HydrophobicContact CB-CG 4.16Å; V50-M65 HydrophobicContact CB-SD 4.45Å; V50-M65 HydrophobicContact CG1-CG 3.84Å; V50-M65 HydrophobicContact CG1-SD 3.82Å; V50-M65 HydrophobicContact CG2-CG 4.11Å; V50-L68 HydrophobicContact CG2-CD1 4.15Å; V50-L77 HydrophobicContact CB-CD1 4.21Å; V50-L77 HydrophobicContact CG2-CD1 3.61Å; V50-E78 PolarHBondContact N-O 3.24Å; V50-V80 PolarHBondContact O-N 3.04Å; V50-I144 HydrophobicContact CG2-CB 4.21Å; V50-I144 HydrophobicContact CG2-CD1 4.02Å; V50-I144 HydrophobicContact CG2-CG1 4.24Å
51	A	97.9	Very high	89.5	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.4	175.4	0	0	0	0	0	109.9	V80 L82 L143 L155	A51-V80 WeakPolarHBondContact CA-O 3.4Å; A51-V80 HydrophobicContact CB-CB 4.25Å; A51-L82 HydrophobicContact CB-CD2 4.05Å; A51-L143 HydrophobicContact CB-CD1 4.05Å; A51-L155 HydrophobicContact CB-CD1 3.6Å; A51-L155 HydrophobicContact CB-CD2 3.41Å; A51-L155 VanDerWaalsContact CB-CD2 3.41Å; A51-L155 HydrophobicContact CB-CG 4.15Å
52	T	98.3	Very high	92.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	-178.7	-176.2	0	0	0	0	108.9	D57 Y58 V80 V81 L82 H85 I97	T52-D57 WeakPolarHBondContact CA-OD1 3.35Å; T52-D57 PolarHBondContact OG1-OD1 3.43Å; T52-Y58 HydrophobicContact CG2-CD2 4.32Å; T52-Y58 WeakPolarHBondContact OG1-CB 3.49Å; T52-Y58 WeakPolarHBondContact OG1-CD2 3.32Å; T52-V80 PolarHBondContact N-O 2.92Å; T52-V81 HydrophobicContact CG2-CG2 3.98Å; T52-L82 PolarHBondContact O-N 2.81Å; T52-H85 VanDerWaalsContact C-CD2 3.43Å; T52-H85 PolarHBondContact O-CD2 3.47Å; T52-H85 VanDerWaalsContact O-CD2 3.25Å; T52-H85 PolarHBondContact OG1-NE2 2.9Å; T52-I97 HydrophobicContact CG2-CD1 3.48Å; T52-I97 VanDerWaalsContact CG2-CD1 3.48Å
53	C	96.9	Very high	94.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.02	14%	0.143	C	C	.	.			trans	-121.2	-27.5	-168.3	-55.8	0	0	0	0	112.2	D57 L82 S84 H85 D151	C53-D57 PolarHBondContact N-OD1 2.91Å; C53-D57 PolarHBondContact N-OD2 3.3Å; C53-L82 CarbonylContact C-O 3.57Å; C53-L82 WeakPolarHBondContact CA-O 3.45Å; C53-L82 HydrophobicContact CB-CG 4.37Å; C53-L82 WeakPolarHBondContact SG-CG 3.34Å; C53-S84 PolarHBondContact O-N 2.85Å; C53-S84 PolarHBondContact O-OG 2.86Å; C53-H85 PolarHBondContact N-CD2 3.11Å; C53-H85 PolarHBondContact N-NE2 3.15Å; C53-H85 PolarHBondContact O-N 3.33Å; C53-D151 HydrophobicContact CB-CB 3.65Å
54	N	95.4	Very high	96.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	12%	0.115	C	C	.	.	S	Bend	trans	-156	155.8	-174.6	-175.1	-82.4	0	0	0	111.5	A56 D57 Y58 S84 H85 R149	N54-A56 PolarHBondContact O-N 3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.38Å; N54-A56 PolarHBondContact OD1-N 3.39Å; N54-D57 PolarHBondContact N-OD1 3.08Å; N54-D57 PolarHBondContact N-OD2 2.95Å; N54-D57 PolarHBondContact O-N 2.96Å; N54-Y58 PolarHBondContact O-N 3.22Å; N54-S84 WeakPolarHBondContact CA-OG 3.44Å; N54-S84 WeakPolarHBondContact CB-OG 3.26Å; N54-S84 PolarHBondContact ND2-OG 3.39Å; N54-H85 PolarHBondContact N-CD2 3.11Å; N54-H85 PolarHBondContact N-NE2 2.9Å; N54-H85 VanDerWaalsContact N-NE2 3.13Å; N54-R149 PolarHBondContact ND2-NH1 3.08Å
55	R	92.8	Very high	96.8	Very high	36 Å²	36	17.5 Å²	17.5	14%	0.136	9%	0.085	C	C	.	.	H	α-helix	trans	-48.8	-29.7	171.2	63.7	173.2	-178.4	-171.9	-8.8	114.8	S59 T93 F288 K317 H318	R55-S59 PolarHBondContact O-N 2.87Å; R55-S59 VanDerWaalsContact O-N 3.12Å; R55-T93 HydrophobicContact CB-CG2 4.43Å; R55-F288 PolarHBondContact NH2-O 2.97Å; R55-K317 PolarHBondContact NH1-O 3.5Å; R55-H318 WeakPolarHBondContact CD-ND1 3.27Å
56	A	91.5	Very high	97	Very high	35 Å²	35	14.8 Å²	14.8	29%	0.289	8%	0.077	S	C	.	.	H	α-helix	trans	-69.9	-33.5	-177.8	0	0	0	0	0	112.6	N54	N54-A56 PolarHBondContact O-N 3Å; N54-A56 WeakPolarHBondContact OD1-CB 3.38Å; N54-A56 PolarHBondContact OD1-N 3.39Å
57	D	95.4	Very high	97	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.07	8%	0.077	C	C	.	.	H	α-helix	trans	-86	-41.9	171	51.9	68.6	0	0	0	111.3	T52 C53 N54 S59 K60 L61 H85 H146	T52-D57 WeakPolarHBondContact CA-OD1 3.35Å; T52-D57 PolarHBondContact OG1-OD1 3.43Å; C53-D57 PolarHBondContact N-OD1 2.91Å; C53-D57 PolarHBondContact N-OD2 3.3Å; N54-D57 PolarHBondContact N-OD1 3.08Å; N54-D57 PolarHBondContact N-OD2 2.95Å; N54-D57 PolarHBondContact O-N 2.96Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.35Å; D57-K60 PolarHBondContact O-N 3.26Å; D57-L61 HydrophobicContact CB-CD1 4.01Å; D57-L61 WeakPolarHBondContact O-CG 3.38Å; D57-L61 PolarHBondContact O-N 2.89Å; D57-H85 IonicContact OD1-NE2 3.78Å; D57-H146 WeakPolarHBondContact CA-ND1 3.5Å; D57-H146 HydrophobicContact CB-CB 4Å; D57-H146 VanDerWaalsContact CB-ND1 3.29Å; D57-H146 WeakPolarHBondContact CB-ND1 3.25Å
58	Y	97.6	Very high	97	Very high	17 Å²	17	11.4 Å²	11.4	7%	0.067	6%	0.063	C	C	.	.	H	α-helix	trans	-56.4	-37	-179.9	-168.5	-114.8	0	0	0	113.8	T52 N54 K60 L61 A62 M65 M96 I97 D100 F102	T52-Y58 HydrophobicContact CG2-CD2 4.32Å; T52-Y58 WeakPolarHBondContact OG1-CB 3.49Å; T52-Y58 WeakPolarHBondContact OG1-CD2 3.32Å; N54-Y58 PolarHBondContact O-N 3.22Å; Y58-K60 PolarHBondContact O-N 2.91Å; Y58-L61 PolarHBondContact O-N 3.41Å; Y58-A62 HydrophobicContact CD1-CB 4.38Å; Y58-A62 HydrophobicContact CD2-CB 4.27Å; Y58-A62 HydrophobicContact CE1-CB 3.97Å; Y58-A62 HydrophobicContact CE2-CB 3.84Å; Y58-A62 WeakPolarHBondContact O-CB 3.45Å; Y58-A62 PolarHBondContact O-N 3.12Å; Y58-M65 HydrophobicContact CD2-SD 4.37Å; Y58-M65 HydrophobicContact CE2-CE 4.23Å; Y58-M65 HydrophobicContact CE2-SD 3.9Å; Y58-M96 HydrophobicContact CE1-CB 4.17Å; Y58-I97 HydrophobicContact CD1-CG1 4.46Å; Y58-I97 HydrophobicContact CD2-CD1 4.4Å; Y58-I97 HydrophobicContact CD2-CG1 3.97Å; Y58-I97 HydrophobicContact CE1-CG1 4.18Å; Y58-I97 HydrophobicContact CE2-CB 4.31Å; Y58-I97 HydrophobicContact CE2-CD1 4.44Å; Y58-I97 HydrophobicContact CE2-CG1 3.66Å; Y58-I97 HydrophobicContact CE2-CG2 4.24Å; Y58-I97 HydrophobicContact CG-CG1 4.37Å; Y58-D100 WeakPolarHBondContact CE1-OD2 3.48Å; Y58-D100 WeakPolarHBondContact OH-CB 3.3Å; Y58-D100 PolarHBondContact OH-OD2 3.49Å; Y58-F102 WeakPolarHBondContact OH-CD2 3.31Å
59	S	95.1	Very high	97	Very high	14 Å²	14	16 Å²	16	10%	0.098	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-17.2	177.6	68.9	0	0	0	0	114.5	R55 D57	R55-S59 PolarHBondContact O-N 2.87Å; R55-S59 VanDerWaalsContact O-N 3.12Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.35Å
60	K	97.1	Very high	96.9	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-112.1	-24.5	179.4	-66.3	160.4	-178.3	60.2	0	112.2	D57 Y58 H146 E170 P220 E344	D57-K60 PolarHBondContact O-N 3.26Å; Y58-K60 PolarHBondContact O-N 2.91Å; K60-H146 WeakPolarHBondContact CD-NE2 3.3Å; K60-E170 VanDerWaalsContact CD-OE2 3.3Å; K60-E170 WeakPolarHBondContact CD-OE2 3.45Å; K60-E170 WeakPolarHBondContact CE-OE2 3.44Å; K60-P220 WeakPolarHBondContact O-CB 3.24Å; K60-E344 IonicContact NZ-OE1 3.49Å; K60-E344 PolarHBondContact NZ-OE1 3.12Å
61	L	98.3	Very high	96.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-80.6	-38.2	173.9	-69.6	173.5	0	0	0	112.4	V50 D57 Y58 I64 M65 I144 H146 L169	V50-L61 HydrophobicContact CG1-CB 4.24Å; V50-L61 HydrophobicContact CG1-CD1 4.11Å; V50-L61 HydrophobicContact CG1-CD2 4.11Å; V50-L61 HydrophobicContact CG1-CG 4.4Å; D57-L61 HydrophobicContact CB-CD1 4.01Å; D57-L61 WeakPolarHBondContact O-CG 3.38Å; D57-L61 PolarHBondContact O-N 2.89Å; Y58-L61 PolarHBondContact O-N 3.41Å; L61-I64 WeakPolarHBondContact O-CA 3.36Å; L61-I64 WeakPolarHBondContact O-CB 3.31Å; L61-I64 PolarHBondContact O-N 3.3Å; L61-M65 HydrophobicContact CB-SD 4.32Å; L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 3.5Å; L61-I144 HydrophobicContact CD2-CG2 3.63Å; L61-H146 HydrophobicContact CD1-CB 4.1Å; L61-H146 HydrophobicContact CD2-CB 3.95Å; L61-H146 HydrophobicContact CG-CB 3.98Å; L61-L169 HydrophobicContact CD2-CD1 3.57Å
62	A	97.7	Very high	96.8	Very high	9 Å²	9	25.8 Å²	25.8	7%	0.074	14%	0.143	C	C	.	.	H	α-helix	trans	-55.3	-44.3	-176.7	0	0	0	0	0	113.5	Y58 I64 M65 F66	Y58-A62 HydrophobicContact CD1-CB 4.38Å; Y58-A62 HydrophobicContact CD2-CB 4.27Å; Y58-A62 HydrophobicContact CE1-CB 3.97Å; Y58-A62 HydrophobicContact CE2-CB 3.84Å; Y58-A62 WeakPolarHBondContact O-CB 3.45Å; Y58-A62 PolarHBondContact O-N 3.12Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.24Å; A62-M65 PolarHBondContact O-N 3.14Å; A62-M65 VanDerWaalsContact O-N 3.15Å; A62-F66 WeakPolarHBondContact O-CD2 3.47Å; A62-F66 PolarHBondContact O-N 3.06Å
63	P	97.6	Very high	96.6	Very high	11 Å²	11	31 Å²	31	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-38.7	175	-25.6	36.1	0	0	0	113.3	G67 P220 K224 V404	P63-G67 PolarHBondContact O-N 2.95Å; P63-G67 VanDerWaalsContact O-N 3.11Å; P63-P220 HydrophobicContact CB-CB 4.21Å; P63-P220 HydrophobicContact CG-CB 4.33Å; P63-K224 HydrophobicContact CG-CG 4.12Å; P63-V404 HydrophobicContact CB-CG2 3.62Å
64	I	98.4	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-43.2	176.9	-58.7	167.2	0	0	0	110	L61 A62 F66 G67 L68 I144 L169 P220 V404 I407	L61-I64 WeakPolarHBondContact O-CA 3.36Å; L61-I64 WeakPolarHBondContact O-CB 3.31Å; L61-I64 PolarHBondContact O-N 3.3Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.24Å; I64-F66 VanDerWaalsContact C-N 3.33Å; I64-F66 PolarHBondContact O-N 2.93Å; I64-G67 CarbonylContact O-C 3.52Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.77Å; I64-G67 VanDerWaalsContact O-N 3.11Å; I64-L68 HydrophobicContact CG2-CD1 3.97Å; I64-L68 HydrophobicContact CG2-CG 4.29Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.26Å; I64-I144 HydrophobicContact CG2-CD1 3.91Å; I64-L169 HydrophobicContact CD1-CD1 3.28Å; I64-L169 HydrophobicContact CD1-CD2 4.13Å; I64-L169 HydrophobicContact CD1-CG 4.35Å; I64-P220 HydrophobicContact CD1-CB 4.42Å; I64-P220 HydrophobicContact CD1-CG 3.78Å; I64-P220 HydrophobicContact CG1-CB 4.25Å; I64-P220 HydrophobicContact CG1-CG 4.07Å; I64-V404 HydrophobicContact CG1-CG2 4.22Å; I64-I407 HydrophobicContact CD1-CD1 3.77Å; I64-I407 HydrophobicContact CD1-CG2 4.47Å; I64-I407 HydrophobicContact CG1-CD1 4.06Å; I64-I407 HydrophobicContact CG2-CG2 4.14Å
65	M	98.5	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-41.8	177.5	-65.4	168.5	62.2	0	0	111.7	V50 Y58 L61 A62 L68 K69 L77 V79 F102	V50-M65 HydrophobicContact CB-CG 4.16Å; V50-M65 HydrophobicContact CB-SD 4.45Å; V50-M65 HydrophobicContact CG1-CG 3.84Å; V50-M65 HydrophobicContact CG1-SD 3.82Å; V50-M65 HydrophobicContact CG2-CG 4.11Å; Y58-M65 HydrophobicContact CD2-SD 4.37Å; Y58-M65 HydrophobicContact CE2-CE 4.23Å; Y58-M65 HydrophobicContact CE2-SD 3.9Å; L61-M65 HydrophobicContact CB-SD 4.32Å; L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 3.5Å; A62-M65 PolarHBondContact O-N 3.14Å; A62-M65 VanDerWaalsContact O-N 3.15Å; M65-L68 PolarHBondContact O-N 3.41Å; M65-K69 VanDerWaalsContact O-CB 3.3Å; M65-K69 WeakPolarHBondContact O-CB 3.5Å; M65-K69 PolarHBondContact O-N 2.95Å; M65-L77 HydrophobicContact CB-CD2 4.24Å; M65-V79 HydrophobicContact CE-CB 4.43Å; M65-V79 HydrophobicContact CE-CG1 3.81Å; M65-V79 HydrophobicContact CE-CG2 3.69Å; M65-F102 HydrophobicContact CB-CD1 4.35Å; M65-F102 HydrophobicContact CB-CE1 3.57Å; M65-F102 HydrophobicContact CB-CE2 4.14Å; M65-F102 HydrophobicContact CB-CZ 3.45Å; M65-F102 VanDerWaalsContact CB-CZ 3.45Å; M65-F102 HydrophobicContact CE-CB 4.22Å; M65-F102 HydrophobicContact CE-CD1 3.86Å; M65-F102 HydrophobicContact CE-CD2 3.78Å; M65-F102 HydrophobicContact CE-CE1 4.15Å; M65-F102 HydrophobicContact CE-CE2 4.05Å; M65-F102 HydrophobicContact CE-CG 3.68Å; M65-F102 HydrophobicContact CE-CZ 4.24Å
66	F	98.1	Very high	96.9	Very high	77 Å²	77	35.6 Å²	35.6	34%	0.338	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-43.3	173	-79.8	-63.4	0	0	0	111.8	A62 I64 K69 S70 D100 F102	A62-F66 WeakPolarHBondContact O-CD2 3.47Å; A62-F66 PolarHBondContact O-N 3.06Å; I64-F66 VanDerWaalsContact C-N 3.33Å; I64-F66 PolarHBondContact O-N 2.93Å; F66-K69 PolarHBondContact O-N 2.91Å; F66-S70 WeakPolarHBondContact O-CB 3.35Å; F66-S70 PolarHBondContact O-N 2.94Å; F66-S70 PolarHBondContact O-OG 3.49Å; F66-D100 HydrophobicContact CE1-CB 4.48Å; F66-D100 HydrophobicContact CE2-CB 4.33Å; F66-D100 HydrophobicContact CZ-CB 3.68Å; F66-F102 HydrophobicContact CD1-CE2 4.37Å; F66-F102 AromaticContact CD1-CZ 3.74Å; F66-F102 HydrophobicContact CD1-CZ 3.74Å; F66-F102 HydrophobicContact CD2-CE2 4.33Å; F66-F102 HydrophobicContact CD2-CZ 4.06Å; F66-F102 HydrophobicContact CE1-CE2 4.07Å; F66-F102 AromaticContact CE1-CZ 3.87Å; F66-F102 HydrophobicContact CE1-CZ 3.87Å; F66-F102 HydrophobicContact CE2-CE2 4.03Å; F66-F102 HydrophobicContact CE2-CZ 4.18Å; F66-F102 HydrophobicContact CG-CE2 4.5Å; F66-F102 AromaticContact CG-CZ 3.84Å; F66-F102 HydrophobicContact CG-CZ 3.84Å; F66-F102 AromaticContact CZ-CE2 3.9Å; F66-F102 HydrophobicContact CZ-CE2 3.9Å; F66-F102 HydrophobicContact CZ-CZ 4.1Å
67	G	97.6	Very high	97.2	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-40	176.3	0	0	0	0	0	113.6	P63 I64 S70 H71 L408	P63-G67 PolarHBondContact O-N 2.95Å; P63-G67 VanDerWaalsContact O-N 3.11Å; I64-G67 CarbonylContact O-C 3.52Å; I64-G67 WeakPolarHBondContact O-CA 3.32Å; I64-G67 PolarHBondContact O-N 2.77Å; I64-G67 VanDerWaalsContact O-N 3.11Å; G67-S70 PolarHBondContact O-OG 2.8Å; G67-H71 PolarHBondContact O-ND1 3.16Å; G67-L408 WeakPolarHBondContact O-CD1 3.37Å
68	L	98.1	Very high	97.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-46.8	174.6	-69.7	166.9	0	0	0	111.1	V48 V50 I64 M65 S70 H71 F75 L77 I144 L408 L411	V48-L68 HydrophobicContact CB-CD1 4.27Å; V48-L68 HydrophobicContact CG1-CD1 3.74Å; V48-L68 HydrophobicContact CG2-CD2 4.13Å; V50-L68 HydrophobicContact CG2-CD1 4.15Å; I64-L68 HydrophobicContact CG2-CD1 3.97Å; I64-L68 HydrophobicContact CG2-CG 4.29Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.26Å; M65-L68 PolarHBondContact O-N 3.41Å; L68-S70 PolarHBondContact O-N 3.36Å; L68-H71 PolarHBondContact O-N 3.23Å; L68-H71 VanDerWaalsContact O-N 3.15Å; L68-F75 HydrophobicContact CD2-CB 3.99Å; L68-F75 HydrophobicContact CD2-CD1 3.65Å; L68-F75 HydrophobicContact CD2-CD2 3.91Å; L68-F75 HydrophobicContact CD2-CE1 4.08Å; L68-F75 HydrophobicContact CD2-CE2 4.3Å; L68-F75 HydrophobicContact CD2-CG 3.55Å; L68-F75 HydrophobicContact CD2-CZ 4.37Å; L68-L77 HydrophobicContact CB-CD2 4.45Å; L68-L77 HydrophobicContact CD1-CD1 4.03Å; L68-I144 HydrophobicContact CD1-CD1 4.12Å; L68-L408 HydrophobicContact CD2-CD2 3.59Å; L68-L408 HydrophobicContact CG-CD2 3.84Å; L68-L411 HydrophobicContact CD2-CD1 3.93Å
69	K	97.6	Very high	97.4	Very high	97 Å²	97	37.2 Å²	37.2	42%	0.422	19%	0.193	S	C	.	.	H	α-helix	trans	-62.2	-29.6	179.8	-173.4	177.5	177.5	-173.5	0	112.5	M65 F66 H71 L77 D101 F102	M65-K69 VanDerWaalsContact O-CB 3.3Å; M65-K69 WeakPolarHBondContact O-CB 3.5Å; M65-K69 PolarHBondContact O-N 2.95Å; F66-K69 PolarHBondContact O-N 2.91Å; K69-H71 VanDerWaalsContact C-N 3.31Å; K69-L77 HydrophobicContact CB-CD2 4.34Å; K69-D101 PolarHBondContact NZ-O 3.38Å; K69-F102 HydrophobicContact CB-CE1 4.27Å; K69-F102 HydrophobicContact CD-CD1 4.11Å; K69-F102 HydrophobicContact CD-CE1 3.88Å
70	S	97.3	Very high	97.5	Very high	74 Å²	74	36.6 Å²	36.6	52%	0.517	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.7	179	75.2	0	0	0	0	114.7	F66 G67 L68 P72	F66-S70 WeakPolarHBondContact O-CB 3.35Å; F66-S70 PolarHBondContact O-N 2.94Å; F66-S70 PolarHBondContact O-OG 3.49Å; G67-S70 PolarHBondContact O-OG 2.8Å; L68-S70 PolarHBondContact O-N 3.36Å; S70-P72 WeakPolarHBondContact O-CD 3.46Å
71	H	97.1	Very high	97.6	Very high	69 Å²	69	36.3 Å²	36.3	32%	0.319	19%	0.187	S	C	.	.			trans	-124.7	58.4	179.3	-61.4	87.2	0	0	0	111.1	G67 L68 K69 E73 E74 F75	G67-H71 PolarHBondContact O-ND1 3.16Å; L68-H71 PolarHBondContact O-N 3.23Å; L68-H71 VanDerWaalsContact O-N 3.15Å; K69-H71 VanDerWaalsContact C-N 3.31Å; H71-E73 WeakPolarHBondContact CA-OE1 3.5Å; H71-E73 IonicContact CD2-OE1 3.41Å; H71-E73 IonicContact CG-OE1 3.46Å; H71-E73 PolarHBondContact O-N 3.15Å; H71-E73 VanDerWaalsContact O-N 3.16Å; H71-E74 PolarHBondContact O-N 3.27Å; H71-E74 VanDerWaalsContact O-N 3.08Å; H71-F75 HydrophobicContact CB-CD2 3.88Å; H71-F75 HydrophobicContact CB-CE2 4.18Å; H71-F75 PolarHBondContact O-N 2.9Å
72	P	95.8	Very high	97.6	Very high	67 Å²	67	36.2 Å²	36.2	44%	0.435	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.9	-175.2	30	-38.3	0	0	0	114.2	R45 S70 E74	R45-P72 WeakPolarHBondContact CD-O 3.4Å; R45-P72 PolarHBondContact NE-O 3.37Å; R45-P72 PolarHBondContact NH1-O 2.92Å; S70-P72 WeakPolarHBondContact O-CD 3.46Å; P72-E74 VanDerWaalsContact C-N 3.35Å
73	E	94.5	Very high	97.5	Very high	108 Å²	108	35.9 Å²	35.9	51%	0.505	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.6	173.1	65.9	-69.5	164.5	0	0	113	H71	H71-E73 WeakPolarHBondContact CA-OE1 3.5Å; H71-E73 IonicContact CD2-OE1 3.41Å; H71-E73 IonicContact CG-OE1 3.46Å; H71-E73 PolarHBondContact O-N 3.15Å; H71-E73 VanDerWaalsContact O-N 3.16Å
74	E	95.4	Very high	97.4	Very high	63 Å²	63	35.3 Å²	35.3	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-32.3	-179.7	-71.3	-176.2	-129.2	0	0	112.8	R45 L46 H71 P72 S412	R45-E74 WeakPolarHBondContact CA-O 3.18Å; L46-E74 PolarHBondContact N-O 3.1Å; H71-E74 PolarHBondContact O-N 3.27Å; H71-E74 VanDerWaalsContact O-N 3.08Å; P72-E74 VanDerWaalsContact C-N 3.35Å; E74-S412 PolarHBondContact OE2-OG 3.3Å
75	F	97.9	Very high	97.3	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.7	-171.8	-53.9	-76.5	0	0	0	113.8	L46 V48 L68 H71 L408 L411 S412	L46-F75 HydrophobicContact CB-CD1 4.01Å; L46-F75 HydrophobicContact CB-CE1 4.37Å; L46-F75 HydrophobicContact CD2-CD1 4.12Å; L46-F75 HydrophobicContact CD2-CE1 3.94Å; L46-F75 WeakPolarHBondContact O-CA 3.39Å; V48-F75 HydrophobicContact CG2-CD1 3.95Å; L68-F75 HydrophobicContact CD2-CB 3.99Å; L68-F75 HydrophobicContact CD2-CD1 3.65Å; L68-F75 HydrophobicContact CD2-CD2 3.91Å; L68-F75 HydrophobicContact CD2-CE1 4.08Å; L68-F75 HydrophobicContact CD2-CE2 4.3Å; L68-F75 HydrophobicContact CD2-CG 3.55Å; L68-F75 HydrophobicContact CD2-CZ 4.37Å; H71-F75 HydrophobicContact CB-CD2 3.88Å; H71-F75 HydrophobicContact CB-CE2 4.18Å; H71-F75 PolarHBondContact O-N 2.9Å; F75-L408 HydrophobicContact CE2-CB 4.47Å; F75-L408 HydrophobicContact CE2-CD2 4.19Å; F75-L408 HydrophobicContact CZ-CB 4.47Å; F75-L408 HydrophobicContact CZ-CD2 4.41Å; F75-L411 HydrophobicContact CE1-CB 3.82Å; F75-L411 HydrophobicContact CE1-CD1 4.46Å; F75-L411 HydrophobicContact CZ-CB 4.24Å; F75-S412 VanDerWaalsContact CZ-OG 3.31Å; F75-S412 WeakPolarHBondContact CZ-OG 3.33Å
76	E	97.8	Very high	97.3	Very high	66 Å²	66	36.3 Å²	36.3	31%	0.308	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.5	165.9	-178.5	-179.2	147.2	0	0	107.6	L46 K47 V48	L46-E76 PolarHBondContact O-N 3.21Å; K47-E76 WeakPolarHBondContact CE-OE1 3.47Å; K47-E76 VanDerWaalsContact CE-OE2 3.24Å; K47-E76 WeakPolarHBondContact CE-OE2 3.34Å; K47-E76 HydrophobicContact CG-CB 4.18Å; K47-E76 HydrophobicContact CG-CG 4.46Å; K47-E76 IonicContact NZ-OE1 2.67Å; K47-E76 PolarHBondContact NZ-OE1 3.07Å; K47-E76 IonicContact NZ-OE2 2.74Å; V48-E76 PolarHBondContact N-O 3.18Å
77	L	98.3	Very high	97.1	Very high	42 Å²	42	34.8 Å²	34.8	22%	0.22	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.4	-175.4	173.5	63	0	0	0	111.1	V50 M65 L68 K69 V79 F102	V50-L77 HydrophobicContact CB-CD1 4.21Å; V50-L77 HydrophobicContact CG2-CD1 3.61Å; M65-L77 HydrophobicContact CB-CD2 4.24Å; L68-L77 HydrophobicContact CB-CD2 4.45Å; L68-L77 HydrophobicContact CD1-CD1 4.03Å; K69-L77 HydrophobicContact CB-CD2 4.34Å; L77-V79 HydrophobicContact CD1-CG2 4.3Å; L77-V79 HydrophobicContact CD2-CG2 4.25Å; L77-V79 HydrophobicContact CG-CG2 4.03Å; L77-F102 HydrophobicContact CD2-CD1 4.09Å; L77-F102 HydrophobicContact CD2-CE1 4.05Å
78	E	98	Very high	96.8	Very high	56 Å²	56	38.8 Å²	38.8	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129	171.1	-74.9	-69.5	172.6	0	0	110.3	V48 C49 V50 L138	V48-E78 PolarHBondContact O-N 3.04Å; C49-E78 CarbonylContact C-O 3.59Å; C49-E78 WeakPolarHBondContact CA-O 3.48Å; V50-E78 PolarHBondContact N-O 3.24Å; E78-L138 HydrophobicContact CB-CD1 4.41Å; E78-L138 HydrophobicContact CB-CD2 4.43Å; E78-L138 HydrophobicContact CG-CD2 4.07Å; E78-L138 WeakPolarHBondContact OE2-CD2 3.49Å
79	V	98.5	Very high	96.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.9	-176.3	-174	0	0	0	0	111	M65 L77 V81 I97 F102 G105 S106	M65-V79 HydrophobicContact CE-CB 4.43Å; M65-V79 HydrophobicContact CE-CG1 3.81Å; M65-V79 HydrophobicContact CE-CG2 3.69Å; L77-V79 HydrophobicContact CD1-CG2 4.3Å; L77-V79 HydrophobicContact CD2-CG2 4.25Å; L77-V79 HydrophobicContact CG-CG2 4.03Å; V79-V81 HydrophobicContact CG1-CG2 4.19Å; V79-I97 HydrophobicContact CG1-CG2 4.28Å; V79-F102 HydrophobicContact CG2-CB 4.42Å; V79-G105 PolarHBondContact O-N 2.82Å; V79-S106 PolarHBondContact O-N 2.83Å
80	V	98.5	Very high	96.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	174.4	-179.3	0	0	0	0	109.3	V50 A51 T52 L82 L108 V134 L138	V50-V80 PolarHBondContact O-N 3.04Å; A51-V80 WeakPolarHBondContact CA-O 3.4Å; A51-V80 HydrophobicContact CB-CB 4.25Å; T52-V80 PolarHBondContact N-O 2.92Å; V80-L82 HydrophobicContact CG1-CD2 4.02Å; V80-L108 HydrophobicContact CG1-CD1 4.1Å; V80-L108 HydrophobicContact CG1-CG 4.5Å; V80-V134 HydrophobicContact CG2-CG1 4.24Å; V80-L138 HydrophobicContact CG2-CD1 3.65Å
81	V	98.5	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.8	178.4	-179.7	0	0	0	0	109.6	T52 V79 H85 L86 F94 I97 I104 S106 K107 L108	T52-V81 HydrophobicContact CG2-CG2 3.98Å; V79-V81 HydrophobicContact CG1-CG2 4.19Å; V81-H85 HydrophobicContact CG1-CB 3.59Å; V81-L86 HydrophobicContact CG1-CD2 4.13Å; V81-L86 HydrophobicContact CG1-CG 4.5Å; V81-F94 HydrophobicContact CG1-CB 3.94Å; V81-I97 HydrophobicContact CB-CD1 4.37Å; V81-I97 HydrophobicContact CG1-CD1 3.93Å; V81-I97 HydrophobicContact CG2-CD1 3.48Å; V81-I97 VanDerWaalsContact CG2-CD1 3.48Å; V81-I97 HydrophobicContact CG2-CG2 4.44Å; V81-I104 HydrophobicContact CB-CG2 4.05Å; V81-I104 HydrophobicContact CG2-CB 4.41Å; V81-I104 HydrophobicContact CG2-CD1 3.91Å; V81-I104 HydrophobicContact CG2-CG1 3.9Å; V81-I104 HydrophobicContact CG2-CG2 3.66Å; V81-S106 PolarHBondContact N-O 3.24Å; V81-K107 CarbonylContact O-C 3.41Å; V81-K107 VanDerWaalsContact O-CA 3.31Å; V81-K107 WeakPolarHBondContact O-CA 3.37Å; V81-L108 PolarHBondContact O-N 3.08Å
82	L	98.1	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-171.8	179.5	66.4	145.9	0	0	0	112	A51 T52 C53 V80 L108 T110 L155	A51-L82 HydrophobicContact CB-CD2 4.05Å; T52-L82 PolarHBondContact O-N 2.81Å; C53-L82 CarbonylContact C-O 3.57Å; C53-L82 WeakPolarHBondContact CA-O 3.45Å; C53-L82 HydrophobicContact CB-CG 4.37Å; C53-L82 WeakPolarHBondContact SG-CG 3.34Å; V80-L82 HydrophobicContact CG1-CD2 4.02Å; L82-L108 WeakPolarHBondContact CA-O 3.49Å; L82-L108 HydrophobicContact CB-CB 3.98Å; L82-L108 WeakPolarHBondContact CB-O 3.39Å; L82-T110 HydrophobicContact CB-CG2 4.07Å; L82-T110 HydrophobicContact CD1-CG2 4.05Å; L82-L155 HydrophobicContact CD1-CD2 4.49Å; L82-L155 HydrophobicContact CD2-CD2 4.23Å
83	G	96.1	Very high	95.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	63.9	-141.7	171	0	0	0	0	0	113.5	H85 L86 T110	G83-H85 PolarHBondContact O-N 2.84Å; G83-H85 VanDerWaalsContact O-N 3.17Å; G83-L86 PolarHBondContact O-N 3.3Å; G83-T110 WeakPolarHBondContact CA-OG1 3.41Å; G83-T110 PolarHBondContact N-OG1 3.15Å
84	S	94.9	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.6	-15.5	-175.9	61.8	0	0	0	0	115.1	C53 N54 L86 I87	C53-S84 PolarHBondContact O-N 2.85Å; C53-S84 PolarHBondContact O-OG 2.86Å; N54-S84 WeakPolarHBondContact CA-OG 3.44Å; N54-S84 WeakPolarHBondContact CB-OG 3.26Å; N54-S84 PolarHBondContact ND2-OG 3.39Å; S84-L86 PolarHBondContact O-N 2.58Å; S84-I87 PolarHBondContact O-N 2.78Å
85	H	97.6	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57.7	-35	176.8	-78	-54.3	0	0	0	113	T52 C53 N54 D57 V81 G83 I87 N92 T93 F94	T52-H85 VanDerWaalsContact C-CD2 3.43Å; T52-H85 PolarHBondContact O-CD2 3.47Å; T52-H85 VanDerWaalsContact O-CD2 3.25Å; T52-H85 PolarHBondContact OG1-NE2 2.9Å; C53-H85 PolarHBondContact N-CD2 3.11Å; C53-H85 PolarHBondContact N-NE2 3.15Å; C53-H85 PolarHBondContact O-N 3.33Å; N54-H85 PolarHBondContact N-CD2 3.11Å; N54-H85 PolarHBondContact N-NE2 2.9Å; N54-H85 VanDerWaalsContact N-NE2 3.13Å; D57-H85 IonicContact OD1-NE2 3.78Å; V81-H85 HydrophobicContact CG1-CB 3.59Å; G83-H85 PolarHBondContact O-N 2.84Å; G83-H85 VanDerWaalsContact O-N 3.17Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-N92 CarbonylContact O-C 3.41Å; H85-N92 VanDerWaalsContact O-C 3.31Å; H85-N92 WeakPolarHBondContact O-CA 3.49Å; H85-T93 PolarHBondContact ND1-OG1 3.42Å; H85-T93 PolarHBondContact O-N 3.07Å; H85-T93 VanDerWaalsContact O-N 3.14Å; H85-F94 HydrophobicContact CB-CB 4.1Å; H85-F94 WeakPolarHBondContact O-CD1 3.48Å; H85-F94 PolarHBondContact O-N 3.03Å
86	L	96.8	Very high	95.5	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.11	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-90.9	9	-174.3	-56.6	179.8	0	0	0	113.7	V81 G83 S84 F94 K107 L108	V81-L86 HydrophobicContact CG1-CD2 4.13Å; V81-L86 HydrophobicContact CG1-CG 4.5Å; G83-L86 PolarHBondContact O-N 3.3Å; S84-L86 PolarHBondContact O-N 2.58Å; L86-F94 HydrophobicContact CD2-CB 4Å; L86-F94 HydrophobicContact CD2-CD1 3.98Å; L86-F94 HydrophobicContact CD2-CG 4.06Å; L86-K107 HydrophobicContact CD1-CB 4.18Å; L86-K107 HydrophobicContact CD2-CB 4.39Å; L86-K107 HydrophobicContact CD2-CD 4.23Å; L86-K107 HydrophobicContact CD2-CG 4.37Å; L86-L108 WeakPolarHBondContact CD1-O 3.34Å
87	I	94.3	Very high	95.4	Very high	45 Å²	45	29.1 Å²	29.1	23%	0.231	15%	0.147	C	C	.	.			trans	-114.7	127.9	-172.5	-55.1	-61.8	0	0	0	110.3	S84 H85 D89 Y90 G91 N92 I111	S84-I87 PolarHBondContact O-N 2.78Å; H85-I87 VanDerWaalsContact C-N 3.33Å; I87-D89 VanDerWaalsContact C-N 3.31Å; I87-D89 HydrophobicContact CG2-CB 4.15Å; I87-D89 PolarHBondContact O-N 3.41Å; I87-Y90 HydrophobicContact CB-CD2 3.87Å; I87-Y90 HydrophobicContact CB-CE2 4.49Å; I87-Y90 HydrophobicContact CG2-CD2 3.68Å; I87-Y90 HydrophobicContact CG2-CE2 3.94Å; I87-Y90 PolarHBondContact O-N 2.65Å; I87-Y90 VanDerWaalsContact O-N 3.16Å; I87-G91 PolarHBondContact O-N 3.07Å; I87-N92 PolarHBondContact O-N 3.12Å; I87-I111 HydrophobicContact CD1-CB 4.45Å; I87-I111 HydrophobicContact CG1-CB 4.47Å; I87-I111 HydrophobicContact CG1-CG1 4.41Å
88	D	92.4	Very high	95.3	Very high	93 Å²	93	31 Å²	31	50%	0.497	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-60.9	-38.5	-177.8	-174.8	-89.9	0	0	0	112.9	Y90 G91 N92 K317	D88-Y90 PolarHBondContact O-N 3.33Å; D88-G91 PolarHBondContact O-N 3.02Å; D88-N92 PolarHBondContact N-OD1 2.85Å; D88-N92 PolarHBondContact OD2-ND2 3.34Å; D88-K317 WeakPolarHBondContact O-CD 3.14Å; D88-K317 PolarHBondContact O-NZ 3.24Å; D88-K317 IonicContact OD1-NZ 3.12Å; D88-K317 PolarHBondContact OD1-NZ 2.93Å
89	D	88.9	Confident	95.2	Very high	72 Å²	72	34.4 Å²	34.4	39%	0.385	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-56.6	-26.3	179.6	-72.5	-26.4	0	0	0	112.7	I87 K317	I87-D89 VanDerWaalsContact C-N 3.31Å; I87-D89 HydrophobicContact CG2-CB 4.15Å; I87-D89 PolarHBondContact O-N 3.41Å; D89-K317 WeakPolarHBondContact O-CD 3.48Å; D89-K317 WeakPolarHBondContact O-CE 3.33Å
90	Y	90.8	Very high	95	Very high	27 Å²	27	36.9 Å²	36.9	11%	0.106	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-103.9	8.7	177.3	-55	-70.4	0	0	0	113.6	I87 D88 T93 I291	I87-Y90 HydrophobicContact CB-CD2 3.87Å; I87-Y90 HydrophobicContact CB-CE2 4.49Å; I87-Y90 HydrophobicContact CG2-CD2 3.68Å; I87-Y90 HydrophobicContact CG2-CE2 3.94Å; I87-Y90 PolarHBondContact O-N 2.65Å; I87-Y90 VanDerWaalsContact O-N 3.16Å; D88-Y90 PolarHBondContact O-N 3.33Å; Y90-T93 WeakPolarHBondContact O-CG2 3.37Å; Y90-I291 HydrophobicContact CD1-CB 4.38Å; Y90-I291 HydrophobicContact CD2-CB 4.38Å; Y90-I291 HydrophobicContact CD2-CD1 4.11Å; Y90-I291 HydrophobicContact CE1-CB 3.67Å; Y90-I291 HydrophobicContact CE1-CG1 4.36Å; Y90-I291 HydrophobicContact CE2-CB 3.71Å; Y90-I291 HydrophobicContact CE2-CD1 3.37Å; Y90-I291 HydrophobicContact CE2-CG1 3.62Å; Y90-I291 VanDerWaalsContact CZ-CA 3.49Å; Y90-I291 VanDerWaalsContact CZ-CG1 3.5Å; Y90-I291 VanDerWaalsContact OH-CA 3.31Å; Y90-I291 WeakPolarHBondContact OH-CA 3.46Å; Y90-I291 WeakPolarHBondContact OH-CB 3.22Å; Y90-I291 VanDerWaalsContact OH-CG1 3.27Å; Y90-I291 WeakPolarHBondContact OH-CG1 3.32Å
91	G	92.3	Very high	94.9	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	17.1	168.5	0	0	0	0	0	115.9	I87 D88 T93	I87-G91 PolarHBondContact O-N 3.07Å; D88-G91 PolarHBondContact O-N 3.02Å; G91-T93 PolarHBondContact O-N 2.73Å
92	N	94.7	Very high	94.9	Very high	24 Å²	24	43 Å²	43	13%	0.128	22%	0.216	C	C	.	.			trans	48.4	48.1	-178.6	-66.1	-53.5	0	0	0	112.1	H85 I87 D88 F94 R95	H85-N92 CarbonylContact O-C 3.41Å; H85-N92 VanDerWaalsContact O-C 3.31Å; H85-N92 WeakPolarHBondContact O-CA 3.49Å; I87-N92 PolarHBondContact O-N 3.12Å; D88-N92 PolarHBondContact N-OD1 2.85Å; D88-N92 PolarHBondContact OD2-ND2 3.34Å; N92-F94 HydrophobicContact CB-CD1 4.15Å; N92-F94 HydrophobicContact CB-CE1 3.83Å; N92-F94 PolarHBondContact O-N 3.2Å; N92-R95 WeakPolarHBondContact O-CB 3.23Å; N92-R95 WeakPolarHBondContact O-CG 3.43Å; N92-R95 PolarHBondContact O-N 3.33Å; N92-R95 VanDerWaalsContact O-N 3.07Å
93	T	96.1	Very high	94.7	Very high	3 Å²	3	50 Å²	50	2%	0.018	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.3	-170	50.1	0	0	0	0	113.7	R55 H85 Y90 G91 R95 M96 H318	R55-T93 HydrophobicContact CB-CG2 4.43Å; H85-T93 PolarHBondContact ND1-OG1 3.42Å; H85-T93 PolarHBondContact O-N 3.07Å; H85-T93 VanDerWaalsContact O-N 3.14Å; Y90-T93 WeakPolarHBondContact O-CG2 3.37Å; G91-T93 PolarHBondContact O-N 2.73Å; T93-R95 PolarHBondContact O-N 2.72Å; T93-M96 WeakPolarHBondContact O-CB 3.44Å; T93-M96 PolarHBondContact O-N 2.87Å; T93-H318 HydrophobicContact CG2-CB 3.91Å
94	F	96.6	Very high	94.8	Very high	33 Å²	33	51.7 Å²	51.7	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-28	165.8	78.7	-93.9	0	0	0	112.7	V81 H85 L86 N92 M96 I97 E98	V81-F94 HydrophobicContact CG1-CB 3.94Å; H85-F94 HydrophobicContact CB-CB 4.1Å; H85-F94 WeakPolarHBondContact O-CD1 3.48Å; H85-F94 PolarHBondContact O-N 3.03Å; L86-F94 HydrophobicContact CD2-CB 4Å; L86-F94 HydrophobicContact CD2-CD1 3.98Å; L86-F94 HydrophobicContact CD2-CG 4.06Å; N92-F94 HydrophobicContact CB-CD1 4.15Å; N92-F94 HydrophobicContact CB-CE1 3.83Å; N92-F94 PolarHBondContact O-N 3.2Å; F94-M96 PolarHBondContact O-N 3.34Å; F94-I97 VanDerWaalsContact O-CB 3.32Å; F94-I97 WeakPolarHBondContact O-CB 3.44Å; F94-I97 PolarHBondContact O-N 3.24Å; F94-I97 VanDerWaalsContact O-N 3.1Å; F94-E98 HydrophobicContact CD2-CG 4.43Å; F94-E98 WeakPolarHBondContact CE2-OE2 3.48Å; F94-E98 PolarHBondContact O-N 3.18Å
95	R	94.7	Very high	94.6	Very high	130 Å²	130	53.4 Å²	53.4	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-26.9	176.7	-67.1	179.1	-176.3	166.9	2.2	112.9	N92 T93 I97 E98 Q99	N92-R95 WeakPolarHBondContact O-CB 3.23Å; N92-R95 WeakPolarHBondContact O-CG 3.43Å; N92-R95 PolarHBondContact O-N 3.33Å; N92-R95 VanDerWaalsContact O-N 3.07Å; T93-R95 PolarHBondContact O-N 2.72Å; R95-I97 VanDerWaalsContact C-N 3.3Å; R95-E98 PolarHBondContact O-N 2.84Å; R95-Q99 WeakPolarHBondContact O-CB 3.36Å; R95-Q99 WeakPolarHBondContact O-CG 3.28Å; R95-Q99 PolarHBondContact O-N 2.78Å
96	M	92.3	Very high	94.5	Very high	34 Å²	34	54.3 Å²	54.3	17%	0.167	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-37.4	175.7	-58.3	-64	103.5	0	0	110.5	Y58 T93 F94 E98 Q99 D100 P320	Y58-M96 HydrophobicContact CE1-CB 4.17Å; T93-M96 WeakPolarHBondContact O-CB 3.44Å; T93-M96 PolarHBondContact O-N 2.87Å; F94-M96 PolarHBondContact O-N 3.34Å; M96-E98 VanDerWaalsContact C-N 3.34Å; M96-Q99 PolarHBondContact O-N 2.87Å; M96-D100 WeakPolarHBondContact O-CB 3.45Å; M96-D100 PolarHBondContact O-N 2.72Å; M96-P320 HydrophobicContact SD-CB 4.4Å; M96-P320 HydrophobicContact SD-CG 4.22Å
97	I	96.4	Very high	94.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-42.2	177.9	-48.6	171.8	0	0	0	110	T52 Y58 V79 V81 F94 R95 D100 F102 I104	T52-I97 HydrophobicContact CG2-CD1 3.48Å; T52-I97 VanDerWaalsContact CG2-CD1 3.48Å; Y58-I97 HydrophobicContact CD1-CG1 4.46Å; Y58-I97 HydrophobicContact CD2-CD1 4.4Å; Y58-I97 HydrophobicContact CD2-CG1 3.97Å; Y58-I97 HydrophobicContact CE1-CG1 4.18Å; Y58-I97 HydrophobicContact CE2-CB 4.31Å; Y58-I97 HydrophobicContact CE2-CD1 4.44Å; Y58-I97 HydrophobicContact CE2-CG1 3.66Å; Y58-I97 HydrophobicContact CE2-CG2 4.24Å; Y58-I97 HydrophobicContact CG-CG1 4.37Å; V79-I97 HydrophobicContact CG1-CG2 4.28Å; V81-I97 HydrophobicContact CB-CD1 4.37Å; V81-I97 HydrophobicContact CG1-CD1 3.93Å; V81-I97 HydrophobicContact CG2-CD1 3.48Å; V81-I97 VanDerWaalsContact CG2-CD1 3.48Å; V81-I97 HydrophobicContact CG2-CG2 4.44Å; F94-I97 VanDerWaalsContact O-CB 3.32Å; F94-I97 WeakPolarHBondContact O-CB 3.44Å; F94-I97 PolarHBondContact O-N 3.24Å; F94-I97 VanDerWaalsContact O-N 3.1Å; R95-I97 VanDerWaalsContact C-N 3.3Å; I97-D100 PolarHBondContact O-N 3.44Å; I97-F102 HydrophobicContact CG2-CB 3.88Å; I97-F102 HydrophobicContact CG2-CD2 4.38Å; I97-F102 PolarHBondContact O-N 3.18Å; I97-I104 HydrophobicContact CB-CD1 4.39Å; I97-I104 HydrophobicContact CG2-CD1 4.29Å; I97-I104 HydrophobicContact CG2-CG1 4.12Å
98	E	95.3	Very high	94.8	Very high	82 Å²	82	56.3 Å²	56.3	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-38.5	173.9	-65.4	174.9	164.4	0	0	112.1	F94 R95 M96 D100 D101 I104 K107	F94-E98 HydrophobicContact CD2-CG 4.43Å; F94-E98 WeakPolarHBondContact CE2-OE2 3.48Å; F94-E98 PolarHBondContact O-N 3.18Å; R95-E98 PolarHBondContact O-N 2.84Å; M96-E98 VanDerWaalsContact C-N 3.34Å; E98-D100 VanDerWaalsContact C-N 3.28Å; E98-D100 PolarHBondContact O-N 3.36Å; E98-D101 PolarHBondContact O-N 2.97Å; E98-D101 VanDerWaalsContact O-N 3.11Å; E98-I104 HydrophobicContact CG-CD1 3.66Å; E98-K107 IonicContact OE1-NZ 3.18Å; E98-K107 PolarHBondContact OE1-NZ 3.36Å
99	Q	94.7	Very high	95	Very high	127 Å²	127	57.4 Å²	57.4	59%	0.593	29%	0.294	S	S	*	.	H	α-helix	trans	-68.7	-26	177.3	-77.2	169.7	5	0	0	113.5	R95 M96 D101	R95-Q99 WeakPolarHBondContact O-CB 3.36Å; R95-Q99 WeakPolarHBondContact O-CG 3.28Å; R95-Q99 PolarHBondContact O-N 2.78Å; M96-Q99 PolarHBondContact O-N 2.87Å; Q99-D101 PolarHBondContact O-N 3.08Å
100	D	95.6	Very high	95.4	Very high	54 Å²	54	54 Å²	54	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	10.9	172.8	-71.9	-22.8	0	0	0	112.3	Y58 F66 M96 I97 E98 F102	Y58-D100 WeakPolarHBondContact CE1-OD2 3.48Å; Y58-D100 WeakPolarHBondContact OH-CB 3.3Å; Y58-D100 PolarHBondContact OH-OD2 3.49Å; F66-D100 HydrophobicContact CE1-CB 4.48Å; F66-D100 HydrophobicContact CE2-CB 4.33Å; F66-D100 HydrophobicContact CZ-CB 3.68Å; M96-D100 WeakPolarHBondContact O-CB 3.45Å; M96-D100 PolarHBondContact O-N 2.72Å; I97-D100 PolarHBondContact O-N 3.44Å; E98-D100 VanDerWaalsContact C-N 3.28Å; E98-D100 PolarHBondContact O-N 3.36Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 HydrophobicContact CB-CD2 3.63Å; D100-F102 HydrophobicContact CB-CE2 3.66Å; D100-F102 PolarHBondContact O-N 2.81Å
101	D	96.4	Very high	95.6	Very high	121 Å²	121	54.1 Å²	54.1	65%	0.647	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	32.5	179.2	-65.6	-45.1	0	0	0	113.9	K69 E98 Q99	K69-D101 PolarHBondContact NZ-O 3.38Å; E98-D101 PolarHBondContact O-N 2.97Å; E98-D101 VanDerWaalsContact O-N 3.11Å; Q99-D101 PolarHBondContact O-N 3.08Å
102	F	97.4	Very high	95.7	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.039	28%	0.276	C	S	.	.			trans	-89.1	128.2	173.1	-68.1	-69.4	0	0	0	112	Y58 M65 F66 K69 L77 V79 I97 D100 I104	Y58-F102 WeakPolarHBondContact OH-CD2 3.31Å; M65-F102 HydrophobicContact CB-CD1 4.35Å; M65-F102 HydrophobicContact CB-CE1 3.57Å; M65-F102 HydrophobicContact CB-CE2 4.14Å; M65-F102 HydrophobicContact CB-CZ 3.45Å; M65-F102 VanDerWaalsContact CB-CZ 3.45Å; M65-F102 HydrophobicContact CE-CB 4.22Å; M65-F102 HydrophobicContact CE-CD1 3.86Å; M65-F102 HydrophobicContact CE-CD2 3.78Å; M65-F102 HydrophobicContact CE-CE1 4.15Å; M65-F102 HydrophobicContact CE-CE2 4.05Å; M65-F102 HydrophobicContact CE-CG 3.68Å; M65-F102 HydrophobicContact CE-CZ 4.24Å; F66-F102 HydrophobicContact CD1-CE2 4.37Å; F66-F102 AromaticContact CD1-CZ 3.74Å; F66-F102 HydrophobicContact CD1-CZ 3.74Å; F66-F102 HydrophobicContact CD2-CE2 4.33Å; F66-F102 HydrophobicContact CD2-CZ 4.06Å; F66-F102 HydrophobicContact CE1-CE2 4.07Å; F66-F102 AromaticContact CE1-CZ 3.87Å; F66-F102 HydrophobicContact CE1-CZ 3.87Å; F66-F102 HydrophobicContact CE2-CE2 4.03Å; F66-F102 HydrophobicContact CE2-CZ 4.18Å; F66-F102 HydrophobicContact CG-CE2 4.5Å; F66-F102 AromaticContact CG-CZ 3.84Å; F66-F102 HydrophobicContact CG-CZ 3.84Å; F66-F102 AromaticContact CZ-CE2 3.9Å; F66-F102 HydrophobicContact CZ-CE2 3.9Å; F66-F102 HydrophobicContact CZ-CZ 4.1Å; K69-F102 HydrophobicContact CB-CE1 4.27Å; K69-F102 HydrophobicContact CD-CD1 4.11Å; K69-F102 HydrophobicContact CD-CE1 3.88Å; L77-F102 HydrophobicContact CD2-CD1 4.09Å; L77-F102 HydrophobicContact CD2-CE1 4.05Å; V79-F102 HydrophobicContact CG2-CB 4.42Å; I97-F102 HydrophobicContact CG2-CB 3.88Å; I97-F102 HydrophobicContact CG2-CD2 4.38Å; I97-F102 PolarHBondContact O-N 3.18Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 HydrophobicContact CB-CD2 3.63Å; D100-F102 HydrophobicContact CB-CE2 3.66Å; D100-F102 PolarHBondContact O-N 2.81Å; F102-I104 PolarHBondContact O-N 3.35Å
103	D	95.3	Very high	95.5	Very high	145 Å²	145	63 Å²	63	78%	0.775	31%	0.306	S	S	*	.			trans	-71.6	113.3	173	-68.1	-44.7	0	0	0	110.2	G105	D103-G105 PolarHBondContact O-N 3.45Å
104	I	96.9	Very high	94.9	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.195	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	101.4	179.9	-59.8	170.9	0	0	0	109.4	V81 I97 E98 F102 S106 K107	V81-I104 HydrophobicContact CB-CG2 4.05Å; V81-I104 HydrophobicContact CG2-CB 4.41Å; V81-I104 HydrophobicContact CG2-CD1 3.91Å; V81-I104 HydrophobicContact CG2-CG1 3.9Å; V81-I104 HydrophobicContact CG2-CG2 3.66Å; I97-I104 HydrophobicContact CB-CD1 4.39Å; I97-I104 HydrophobicContact CG2-CD1 4.29Å; I97-I104 HydrophobicContact CG2-CG1 4.12Å; E98-I104 HydrophobicContact CG-CD1 3.66Å; F102-I104 PolarHBondContact O-N 3.35Å; I104-S106 VanDerWaalsContact C-N 3.31Å; I104-S106 WeakPolarHBondContact CG2-O 3.36Å; I104-S106 PolarHBondContact O-N 2.89Å; I104-K107 HydrophobicContact CG2-CD 4.43Å; I104-K107 HydrophobicContact CG2-CG 3.63Å
105	G	91.8	Very high	94.4	Very high	36 Å²	36	64.1 Å²	64.1	37%	0.371	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-25.8	178.7	0	0	0	0	0	113.9	V79 D103	V79-G105 PolarHBondContact O-N 2.82Å; D103-G105 PolarHBondContact O-N 3.45Å
106	S	96.2	Very high	94.2	Very high	19 Å²	19	61.2 Å²	61.2	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141.6	174.8	-75.3	0	0	0	0	113.7	V79 V81 I104 R137	V79-S106 PolarHBondContact O-N 2.83Å; V81-S106 PolarHBondContact N-O 3.24Å; I104-S106 VanDerWaalsContact C-N 3.31Å; I104-S106 WeakPolarHBondContact CG2-O 3.36Å; I104-S106 PolarHBondContact O-N 2.89Å; S106-R137 PolarHBondContact OG-NH2 2.86Å
107	K	98.1	Very high	94.2	Very high	88 Å²	88	64.5 Å²	64.5	38%	0.383	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.1	172.5	-67.2	-177.3	-179.5	179.6	0	110.3	V81 L86 E98 I104	V81-K107 CarbonylContact O-C 3.41Å; V81-K107 VanDerWaalsContact O-CA 3.31Å; V81-K107 WeakPolarHBondContact O-CA 3.37Å; L86-K107 HydrophobicContact CD1-CB 4.18Å; L86-K107 HydrophobicContact CD2-CB 4.39Å; L86-K107 HydrophobicContact CD2-CD 4.23Å; L86-K107 HydrophobicContact CD2-CG 4.37Å; E98-K107 IonicContact OE1-NZ 3.18Å; E98-K107 PolarHBondContact OE1-NZ 3.36Å; I104-K107 HydrophobicContact CG2-CD 4.43Å; I104-K107 HydrophobicContact CG2-CG 3.63Å
108	L	97.3	Very high	94.1	Very high	20 Å²	20	67.2 Å²	67.2	11%	0.105	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.4	-176.5	-53.5	177.3	0	0	0	111.7	V80 V81 L82 L86 T110 K130 L131 V134	V80-L108 HydrophobicContact CG1-CD1 4.1Å; V80-L108 HydrophobicContact CG1-CG 4.5Å; V81-L108 PolarHBondContact O-N 3.08Å; L82-L108 WeakPolarHBondContact CA-O 3.49Å; L82-L108 HydrophobicContact CB-CB 3.98Å; L82-L108 WeakPolarHBondContact CB-O 3.39Å; L86-L108 WeakPolarHBondContact CD1-O 3.34Å; L108-T110 HydrophobicContact CB-CG2 3.81Å; L108-T110 PolarHBondContact O-N 3.48Å; L108-T110 VanDerWaalsContact O-N 3.12Å; L108-K130 HydrophobicContact CD1-CB 4.46Å; L108-L131 HydrophobicContact CD1-CD2 3.98Å; L108-L131 HydrophobicContact CD1-CG 4.49Å; L108-V134 HydrophobicContact CD1-CG2 4.15Å; L108-V134 HydrophobicContact CD2-CG2 3.96Å
109	H	97.5	Very high	94.1	Very high	115 Å²	115	63.5 Å²	63.5	53%	0.532	33%	0.334	S	S	.	.			trans	-76.3	99.2	169.9	-67.4	82.3	0	0	0	109.1	K130	H109-K130 PolarHBondContact O-NZ 2.9Å
110	T	97.3	Very high	94.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.			trans	-114.1	-1.2	-174.2	57.4	0	0	0	0	113.9	L82 G83 L108 S123 A127	L82-T110 HydrophobicContact CB-CG2 4.07Å; L82-T110 HydrophobicContact CD1-CG2 4.05Å; G83-T110 WeakPolarHBondContact CA-OG1 3.41Å; G83-T110 PolarHBondContact N-OG1 3.15Å; L108-T110 HydrophobicContact CB-CG2 3.81Å; L108-T110 PolarHBondContact O-N 3.48Å; L108-T110 VanDerWaalsContact O-N 3.12Å; T110-S123 CarbonylContact O-C 3.45Å; T110-S123 WeakPolarHBondContact O-CA 3.42Å; T110-S123 VanDerWaalsContact O-CB 3.32Å; T110-S123 WeakPolarHBondContact O-CB 3.5Å; T110-S123 VanDerWaalsContact O-O 3.06Å; T110-A127 HydrophobicContact CG2-CB 3.89Å
111	I	95.8	Very high	94.1	Very high	30 Å²	30	61.4 Å²	61.4	15%	0.154	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-91.3	126.1	177.8	-62	-52.7	0	0	0	110.1	I87 S123 F150 I291	I87-I111 HydrophobicContact CD1-CB 4.45Å; I87-I111 HydrophobicContact CG1-CB 4.47Å; I87-I111 HydrophobicContact CG1-CG1 4.41Å; I111-S123 WeakPolarHBondContact CA-OG 3.39Å; I111-F150 HydrophobicContact CD1-CE2 4.07Å; I111-F150 HydrophobicContact CD1-CZ 4.23Å; I111-I291 HydrophobicContact CB-CD1 4.37Å; I111-I291 HydrophobicContact CD1-CD1 3.91Å; I111-I291 HydrophobicContact CG1-CD1 3.89Å; I111-I291 HydrophobicContact CG2-CD1 3.56Å
112	V	94.6	Very high	94.2	Very high	41 Å²	41	61.1 Å²	61.1	25%	0.248	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-89.5	139.2	164.4	-174.8	0	0	0	0	109.2	E122 S123 L126	V112-E122 HydrophobicContact CB-CB 3.97Å; V112-E122 HydrophobicContact CG1-CB 4.3Å; V112-E122 VanDerWaalsContact CG1-OE2 3.28Å; V112-E122 WeakPolarHBondContact CG1-OE2 3.36Å; V112-E122 HydrophobicContact CG2-CB 3.82Å; V112-S123 PolarHBondContact N-OG 3.32Å; V112-L126 HydrophobicContact CG2-CB 4.31Å; V112-L126 HydrophobicContact CG2-CD2 3.88Å
113	R	89.4	Confident	94.2	Very high	198 Å²	198	60.8 Å²	60.8	75%	0.747	32%	0.323	S	S	*	.	S	Bend	trans	-84.5	136.4	-173.6	-161	-179	-169.9	-179.6	5.6	110.7	E115	R113-E115 WeakPolarHBondContact CG-OE1 3.49Å
114	G	84.1	Confident	94.4	Very high	31 Å²	31	55.1 Å²	55.1	32%	0.32	29%	0.294	S	S	.	.	S	Bend	trans	165.4	-32.8	179.9	0	0	0	0	0	112.1	D116	G114-D116 PolarHBondContact O-N 2.88Å
115	E	86.1	Confident	94.4	Very high	28 Å²	28	54.9 Å²	54.9	13%	0.131	30%	0.301	C	S	.	.	S	Bend	trans	57	28.4	179	-57.3	79.3	-122.7	0	0	113.6	R113 G294 K296	R113-E115 WeakPolarHBondContact CG-OE1 3.49Å; E115-G294 PolarHBondContact O-N 2.86Å; E115-K296 HydrophobicContact CB-CB 3.95Å; E115-K296 HydrophobicContact CB-CD 4.48Å; E115-K296 HydrophobicContact CG-CB 4.31Å; E115-K296 WeakPolarHBondContact OE2-CD 3.49Å; E115-K296 IonicContact OE2-NZ 3.8Å; E115-K296 PolarHBondContact OE2-NZ 3.47Å
116	D	90.3	Very high	94.7	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.374	30%	0.296	S	S	.	.	S	Bend	trans	-123	179.7	176	63.5	9.6	0	0	0	110.9	G114 A118 A119 M120	G114-D116 PolarHBondContact O-N 2.88Å; D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 2.67Å; D116-A118 PolarHBondContact OD1-N 2.87Å; D116-A119 PolarHBondContact O-N 2.91Å; D116-A119 WeakPolarHBondContact OD1-CB 3.39Å; D116-A119 PolarHBondContact OD1-N 3.22Å; D116-M120 PolarHBondContact O-N 2.84Å; D116-M120 VanDerWaalsContact O-N 3.14Å
117	E	92.8	Very high	94.8	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-37	-177.8	-59.9	94.4	134.7	0	0	112.1	M120 V121 A293	E117-M120 WeakPolarHBondContact O-CB 3.42Å; E117-M120 PolarHBondContact O-N 2.89Å; E117-V121 PolarHBondContact O-N 2.95Å; E117-A293 HydrophobicContact CG-CB 3.95Å
118	A	94.3	Very high	94.8	Very high	56 Å²	56	53 Å²	53	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-49.4	178.8	0	0	0	0	0	111.3	D116 M120 V121 E122	D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 2.67Å; D116-A118 PolarHBondContact OD1-N 2.87Å; A118-M120 PolarHBondContact O-N 2.88Å; A118-V121 PolarHBondContact O-N 2.88Å; A118-V121 VanDerWaalsContact O-N 3.12Å; A118-E122 WeakPolarHBondContact O-CG 3.41Å; A118-E122 PolarHBondContact O-N 2.96Å
119	A	94.3	Very high	94.9	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-33.4	177.2	0	0	0	0	0	112.4	D116 S123	D116-A119 PolarHBondContact O-N 2.91Å; D116-A119 WeakPolarHBondContact OD1-CB 3.39Å; D116-A119 PolarHBondContact OD1-N 3.22Å; A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.05Å; A119-S123 PolarHBondContact O-OG 3.25Å
120	M	94.6	Very high	94.9	Very high	33 Å²	33	55 Å²	55	16%	0.163	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-46.9	173.8	-172	-178	-60	0	0	111.7	D116 E117 A118 S123 V124 F150 T260 D292 A293	D116-M120 PolarHBondContact O-N 2.84Å; D116-M120 VanDerWaalsContact O-N 3.14Å; E117-M120 WeakPolarHBondContact O-CB 3.42Å; E117-M120 PolarHBondContact O-N 2.89Å; A118-M120 PolarHBondContact O-N 2.88Å; M120-S123 WeakPolarHBondContact O-CB 3.49Å; M120-S123 PolarHBondContact O-N 3.25Å; M120-V124 PolarHBondContact O-N 3.27Å; M120-F150 HydrophobicContact CE-CD1 4.18Å; M120-F150 HydrophobicContact CE-CE1 4.26Å; M120-F150 HydrophobicContact CG-CB 4Å; M120-F150 HydrophobicContact CG-CD1 3.39Å; M120-F150 HydrophobicContact CG-CD2 4.07Å; M120-F150 HydrophobicContact CG-CE1 3.76Å; M120-F150 HydrophobicContact CG-CE2 4.42Å; M120-F150 HydrophobicContact CG-CG 3.55Å; M120-F150 HydrophobicContact CG-CZ 4.28Å; M120-F150 HydrophobicContact SD-CB 4.22Å; M120-F150 HydrophobicContact SD-CD1 3.56Å; M120-F150 VanDerWaalsContact SD-CD1 3.56Å; M120-F150 HydrophobicContact SD-CE1 4.18Å; M120-F150 HydrophobicContact SD-CG 4.09Å; M120-T260 HydrophobicContact CE-CG2 3.8Å; M120-D292 HydrophobicContact CE-CB 4.14Å; M120-A293 HydrophobicContact CE-CB 3.97Å
121	V	96.9	Very high	94.9	Very high	104 Å²	104	55.2 Å²	55.2	63%	0.63	30%	0.301	S	S	*	.	H	α-helix	trans	-68.4	-42.8	178.7	176.2	0	0	0	0	111.4	E117 A118 S123 V124 G125	E117-V121 PolarHBondContact O-N 2.95Å; A118-V121 PolarHBondContact O-N 2.88Å; A118-V121 VanDerWaalsContact O-N 3.12Å; V121-S123 PolarHBondContact O-N 3.41Å; V121-V124 WeakPolarHBondContact O-CB 3.19Å; V121-V124 PolarHBondContact O-N 3.27Å; V121-V124 VanDerWaalsContact O-N 3.11Å; V121-G125 PolarHBondContact O-N 3.06Å
122	E	97.6	Very high	95.1	Very high	114 Å²	114	55.8 Å²	55.8	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-33.9	175.6	-69.7	-178.2	-174.9	0	0	111.9	V112 A118 G125 L126	V112-E122 HydrophobicContact CB-CB 3.97Å; V112-E122 HydrophobicContact CG1-CB 4.3Å; V112-E122 VanDerWaalsContact CG1-OE2 3.28Å; V112-E122 WeakPolarHBondContact CG1-OE2 3.36Å; V112-E122 HydrophobicContact CG2-CB 3.82Å; A118-E122 WeakPolarHBondContact O-CG 3.41Å; A118-E122 PolarHBondContact O-N 2.96Å; E122-G125 PolarHBondContact O-N 3.14Å; E122-L126 WeakPolarHBondContact O-CB 3.2Å; E122-L126 PolarHBondContact O-N 3.35Å
123	S	97.6	Very high	95.2	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-39.5	174	-59	0	0	0	0	112.5	T110 I111 V112 A119 M120 V121 L126 A127	T110-S123 CarbonylContact O-C 3.45Å; T110-S123 WeakPolarHBondContact O-CA 3.42Å; T110-S123 VanDerWaalsContact O-CB 3.32Å; T110-S123 WeakPolarHBondContact O-CB 3.5Å; T110-S123 VanDerWaalsContact O-O 3.06Å; I111-S123 WeakPolarHBondContact CA-OG 3.39Å; V112-S123 PolarHBondContact N-OG 3.32Å; A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.05Å; A119-S123 PolarHBondContact O-OG 3.25Å; M120-S123 WeakPolarHBondContact O-CB 3.49Å; M120-S123 PolarHBondContact O-N 3.25Å; V121-S123 PolarHBondContact O-N 3.41Å; S123-L126 PolarHBondContact O-N 2.97Å; S123-A127 PolarHBondContact O-N 2.84Å
124	V	98.1	Very high	95.6	Very high	26 Å²	26	50.6 Å²	50.6	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-48.3	172.1	175	0	0	0	0	110.1	M120 V121 L126 A127 L128 F150 A154	M120-V124 PolarHBondContact O-N 3.27Å; V121-V124 WeakPolarHBondContact O-CB 3.19Å; V121-V124 PolarHBondContact O-N 3.27Å; V121-V124 VanDerWaalsContact O-N 3.11Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.2Å; V124-A127 PolarHBondContact O-N 3.13Å; V124-L128 HydrophobicContact CG1-CD1 4.14Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 3.45Å; V124-F150 HydrophobicContact CG2-CB 3.73Å; V124-F150 HydrophobicContact CG2-CD2 3.9Å; V124-F150 HydrophobicContact CG2-CG 4.28Å; V124-A154 HydrophobicContact CG1-CB 4.08Å
125	G	98.2	Very high	96.2	Very high	34 Å²	34	49.4 Å²	49.4	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-42.5	176.6	0	0	0	0	0	112.7	V121 E122 A127 L128 V129	V121-G125 PolarHBondContact O-N 3.06Å; E122-G125 PolarHBondContact O-N 3.14Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 2.76Å; G125-L128 PolarHBondContact O-N 3.36Å; G125-V129 PolarHBondContact O-N 2.83Å
126	L	98.3	Very high	96.7	Very high	48 Å²	48	54.4 Å²	54.4	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-34.1	179.3	-173	59.6	0	0	0	112.7	V112 E122 S123 V124 V129 K130	V112-L126 HydrophobicContact CG2-CB 4.31Å; V112-L126 HydrophobicContact CG2-CD2 3.88Å; E122-L126 WeakPolarHBondContact O-CB 3.2Å; E122-L126 PolarHBondContact O-N 3.35Å; S123-L126 PolarHBondContact O-N 2.97Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.2Å; L126-V129 HydrophobicContact CD1-CG2 4.02Å; L126-V129 VanDerWaalsContact O-CG2 3.25Å; L126-V129 WeakPolarHBondContact O-CG2 3.41Å; L126-K130 WeakPolarHBondContact O-CG 3.33Å
127	A	98.2	Very high	97.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-45.4	170.4	0	0	0	0	0	111.2	T110 S123 V124 G125 V129 K130 L131 A154	T110-A127 HydrophobicContact CG2-CB 3.89Å; S123-A127 PolarHBondContact O-N 2.84Å; V124-A127 PolarHBondContact O-N 3.13Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 2.76Å; A127-V129 VanDerWaalsContact C-N 3.31Å; A127-V129 PolarHBondContact O-N 3.42Å; A127-K130 PolarHBondContact O-N 3.48Å; A127-K130 VanDerWaalsContact O-N 3.09Å; A127-L131 HydrophobicContact CB-CD1 4.06Å; A127-L131 WeakPolarHBondContact O-CB 3.42Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.14Å; A127-A154 HydrophobicContact CB-CB 3.68Å
128	L	98.4	Very high	97.3	Very high	56 Å²	56	53.5 Å²	53.5	29%	0.293	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-28.2	-178.3	-70.8	175.2	0	0	0	114.2	V124 G125 P132 A154 T157 A158	V124-L128 HydrophobicContact CG1-CD1 4.14Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 3.45Å; G125-L128 PolarHBondContact O-N 3.36Å; L128-P132 WeakPolarHBondContact O-CD 3.43Å; L128-P132 VanDerWaalsContact O-CG 3.31Å; L128-P132 WeakPolarHBondContact O-CG 3.33Å; L128-A154 HydrophobicContact CD2-CB 4.31Å; L128-A154 VanDerWaalsContact CD2-O 3.3Å; L128-A154 WeakPolarHBondContact CD2-O 3.49Å; L128-A154 HydrophobicContact CG-CB 4.28Å; L128-T157 HydrophobicContact CD2-CG2 4.04Å; L128-A158 HydrophobicContact CD2-CB 4.1Å
129	V	97.9	Very high	97.4	Very high	101 Å²	101	54.4 Å²	54.4	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-79.2	-21.2	173.8	-59.3	0	0	0	0	113.3	G125 L126 A127	G125-V129 PolarHBondContact O-N 2.83Å; L126-V129 HydrophobicContact CD1-CG2 4.02Å; L126-V129 VanDerWaalsContact O-CG2 3.25Å; L126-V129 WeakPolarHBondContact O-CG2 3.41Å; A127-V129 VanDerWaalsContact C-N 3.31Å; A127-V129 PolarHBondContact O-N 3.42Å
130	K	98.4	Very high	97.5	Very high	75 Å²	75	54.7 Å²	54.7	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-100	-34.1	-176.3	-70	-175.3	177.2	-174.9	0	113.9	L108 H109 L126 A127	L108-K130 HydrophobicContact CD1-CB 4.46Å; H109-K130 PolarHBondContact O-NZ 2.9Å; L126-K130 WeakPolarHBondContact O-CG 3.33Å; A127-K130 PolarHBondContact O-N 3.48Å; A127-K130 VanDerWaalsContact O-N 3.09Å
131	L	98.1	Very high	97.7	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-39.7	-175.6	-77.1	164.9	0	0	0	113.9	L108 A127 D133 V134 L135 L155 A158	L108-L131 HydrophobicContact CD1-CD2 3.98Å; L108-L131 HydrophobicContact CD1-CG 4.49Å; A127-L131 HydrophobicContact CB-CD1 4.06Å; A127-L131 WeakPolarHBondContact O-CB 3.42Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.14Å; L131-D133 PolarHBondContact O-N 3.25Å; L131-V134 PolarHBondContact O-N 3.47Å; L131-V134 VanDerWaalsContact O-N 3.15Å; L131-L135 HydrophobicContact CB-CD1 4.42Å; L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.43Å; L131-L155 HydrophobicContact CD1-CD2 3.86Å; L131-L155 HydrophobicContact CD2-CD2 3.8Å; L131-A158 HydrophobicContact CB-CB 4.01Å; L131-A158 HydrophobicContact CD1-CB 4.14Å
132	P	98.3	Very high	97.8	Very high	42 Å²	42	49.1 Å²	49.1	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-47	-174.3	-28.7	36.9	0	0	0	114.4	L128 V134 L135 Q136 M162	L128-P132 WeakPolarHBondContact O-CD 3.43Å; L128-P132 VanDerWaalsContact O-CG 3.31Å; L128-P132 WeakPolarHBondContact O-CG 3.33Å; P132-V134 VanDerWaalsContact C-N 3.26Å; P132-V134 PolarHBondContact O-N 3.3Å; P132-L135 PolarHBondContact O-N 3.34Å; P132-Q136 WeakPolarHBondContact O-CB 3.47Å; P132-Q136 PolarHBondContact O-N 2.81Å; P132-M162 VanDerWaalsContact CA-SD 3.53Å; P132-M162 HydrophobicContact CB-CE 4.41Å; P132-M162 HydrophobicContact CB-SD 3.76Å; P132-M162 HydrophobicContact CG-SD 4.3Å; P132-M162 WeakPolarHBondContact O-CE 3.33Å
133	D	96.6	Very high	97.8	Very high	115 Å²	115	43.8 Å²	43.8	62%	0.615	24%	0.237	S	C	*	.	H	α-helix	trans	-62.9	-36	179	-64	-27.7	0	0	0	111.9	L131 R137	L131-D133 PolarHBondContact O-N 3.25Å; D133-R137 WeakPolarHBondContact O-CB 3.21Å; D133-R137 PolarHBondContact O-N 2.78Å; D133-R137 VanDerWaalsContact O-N 3.08Å
134	V	97.9	Very high	97.9	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-47.1	177.3	176.1	0	0	0	0	110.8	V80 L108 L131 P132 Q136 R137 L138	V80-V134 HydrophobicContact CG2-CG1 4.24Å; L108-V134 HydrophobicContact CD1-CG2 4.15Å; L108-V134 HydrophobicContact CD2-CG2 3.96Å; L131-V134 PolarHBondContact O-N 3.47Å; L131-V134 VanDerWaalsContact O-N 3.15Å; P132-V134 VanDerWaalsContact C-N 3.26Å; P132-V134 PolarHBondContact O-N 3.3Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 3.16Å; V134-R137 PolarHBondContact O-N 3.05Å; V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CG 4.26Å; V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 VanDerWaalsContact O-CG 3.3Å; V134-L138 WeakPolarHBondContact O-CG 3.27Å; V134-L138 PolarHBondContact O-N 3.48Å
135	L	97.8	Very high	97.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-36.9	179.4	-70.3	175.9	0	0	0	111.6	L131 P132 S139 P140 A158 M162 I164	L131-L135 HydrophobicContact CB-CD1 4.42Å; L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.43Å; P132-L135 PolarHBondContact O-N 3.34Å; L135-S139 WeakPolarHBondContact O-CA 3.43Å; L135-S139 PolarHBondContact O-N 3.46Å; L135-P140 HydrophobicContact CD2-CG 4.16Å; L135-P140 VanDerWaalsContact O-CD 3.28Å; L135-P140 WeakPolarHBondContact O-CD 3.43Å; L135-A158 HydrophobicContact CD1-CB 4.06Å; L135-M162 HydrophobicContact CB-CE 3.99Å; L135-M162 HydrophobicContact CB-SD 4.08Å; L135-M162 HydrophobicContact CD1-SD 4.1Å; L135-I164 HydrophobicContact CB-CD1 3.77Å; L135-I164 HydrophobicContact CD1-CD1 4.09Å; L135-I164 HydrophobicContact CD2-CD1 4.33Å; L135-I164 HydrophobicContact CG-CD1 4.28Å
136	Q	97.3	Very high	97.9	Very high	134 Å²	134	41.8 Å²	41.8	63%	0.626	22%	0.216	S	C	*	.	H	α-helix	trans	-63.2	-45	172.9	-172.3	176.4	21.9	0	0	111.3	P132 V134 S139 M162	P132-Q136 WeakPolarHBondContact O-CB 3.47Å; P132-Q136 PolarHBondContact O-N 2.81Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 3.16Å; Q136-S139 PolarHBondContact O-N 3.09Å; Q136-S139 PolarHBondContact O-OG 3.4Å; Q136-M162 HydrophobicContact CB-CE 4.28Å
137	R	97.6	Very high	97.7	Very high	143 Å²	143	39.6 Å²	39.6	54%	0.54	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-42.6	178.1	-176.8	-176.5	59.2	68.5	4.5	112.6	S106 D133 V134	S106-R137 PolarHBondContact OG-NH2 2.86Å; D133-R137 WeakPolarHBondContact O-CB 3.21Å; D133-R137 PolarHBondContact O-N 2.78Å; D133-R137 VanDerWaalsContact O-N 3.08Å; V134-R137 PolarHBondContact O-N 3.05Å
138	L	96.6	Very high	97.6	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-75.3	-29.1	-180	-66.2	178.2	0	0	0	112.2	E78 V80 V134	E78-L138 HydrophobicContact CB-CD1 4.41Å; E78-L138 HydrophobicContact CB-CD2 4.43Å; E78-L138 HydrophobicContact CG-CD2 4.07Å; E78-L138 WeakPolarHBondContact OE2-CD2 3.49Å; V80-L138 HydrophobicContact CG2-CD1 3.65Å; V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CG 4.26Å; V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 VanDerWaalsContact O-CG 3.3Å; V134-L138 WeakPolarHBondContact O-CG 3.27Å; V134-L138 PolarHBondContact O-N 3.48Å
139	S	96.4	Very high	97.5	Very high	74 Å²	74	38.8 Å²	38.8	52%	0.517	20%	0.199	S	C	.	.			trans	45.1	55	-177.5	-68.3	0	0	0	0	113.2	L135 Q136	L135-S139 WeakPolarHBondContact O-CA 3.43Å; L135-S139 PolarHBondContact O-N 3.46Å; Q136-S139 PolarHBondContact O-N 3.09Å; Q136-S139 PolarHBondContact O-OG 3.4Å
140	P	97.7	Very high	97.4	Very high	12 Å²	12	34.4 Å²	34.4	8%	0.078	17%	0.172	C	C	.	.			trans	-72.5	145.9	-177.6	31.8	-34.8	0	0	0	111.7	C49 L135 I164	C49-P140 HydrophobicContact CB-CB 3.6Å; C49-P140 HydrophobicContact CB-CG 3.95Å; L135-P140 HydrophobicContact CD2-CG 4.16Å; L135-P140 VanDerWaalsContact O-CD 3.28Å; L135-P140 WeakPolarHBondContact O-CD 3.43Å; P140-I164 HydrophobicContact CG-CD1 4.19Å; P140-I164 HydrophobicContact CG-CG2 3.99Å
141	D	97.8	Very high	97.3	Very high	20 Å²	20	31 Å²	31	11%	0.107	16%	0.158	C	C	.	.	S	Bend	trans	-73.3	-34.3	171.7	-66.5	-47.7	0	0	0	110.7	R44 L46 K47 R165 L416	R44-D141 IonicContact CZ-OD1 3.22Å; R44-D141 IonicContact NE-OD2 3.59Å; R44-D141 IonicContact NH2-OD1 3.68Å; R44-D141 PolarHBondContact NH2-OD1 3.21Å; R44-D141 IonicContact NH2-OD2 3.86Å; R44-D141 PolarHBondContact NH2-OD2 2.99Å; L46-D141 HydrophobicContact CD1-CB 3.58Å; L46-D141 HydrophobicContact CG-CB 4.44Å; K47-D141 HydrophobicContact CB-CB 4.41Å; K47-D141 WeakPolarHBondContact CB-OD2 3.4Å; K47-D141 PolarHBondContact N-OD2 2.85Å; K47-D141 PolarHBondContact O-N 2.93Å; D141-R165 WeakPolarHBondContact O-CB 3.46Å; D141-L416 HydrophobicContact CB-CD1 4.45Å; D141-L416 HydrophobicContact CB-CD2 4.1Å
142	I	98.4	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.7	178.4	-168.9	159.2	0	0	0	112	L46 K47 V48 C49 R165 L167 Y192 L411 I414	L46-I142 HydrophobicContact CD2-CG2 4.15Å; L46-I142 HydrophobicContact CG-CG2 4.35Å; K47-I142 PolarHBondContact O-N 3.46Å; V48-I142 HydrophobicContact CB-CG2 4.31Å; V48-I142 HydrophobicContact CG1-CG2 4.19Å; V48-I142 HydrophobicContact CG2-CG2 3.87Å; C49-I142 PolarHBondContact N-O 3.11Å; I142-R165 CarbonylContact C-O 3.55Å; I142-R165 WeakPolarHBondContact CA-O 3.44Å; I142-R165 HydrophobicContact CB-CB 4.01Å; I142-R165 HydrophobicContact CD1-CB 4.06Å; I142-R165 HydrophobicContact CG1-CB 3.8Å; I142-L167 HydrophobicContact CD1-CB 3.98Å; I142-L167 HydrophobicContact CG1-CB 4.41Å; I142-Y192 HydrophobicContact CD1-CD2 3.98Å; I142-Y192 HydrophobicContact CD1-CE2 4.44Å; I142-L411 HydrophobicContact CD1-CD2 3.9Å; I142-L411 HydrophobicContact CG2-CD2 4.27Å; I142-I414 HydrophobicContact CD1-CD1 3.57Å
143	L	98.6	Very high	97.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.4	171.4	-178.7	67.6	0	0	0	110	C49 A51 V145 L155 A159 I164 R165 I166 L167	C49-L143 HydrophobicContact CB-CD1 3.78Å; C49-L143 WeakPolarHBondContact O-CA 3.15Å; C49-L143 WeakPolarHBondContact O-CD1 3.3Å; C49-L143 VanDerWaalsContact SG-CD1 3.51Å; A51-L143 HydrophobicContact CB-CD1 4.05Å; L143-V145 HydrophobicContact CD2-CG2 3.84Å; L143-V145 HydrophobicContact CG-CG2 3.89Å; L143-L155 HydrophobicContact CD2-CB 4.24Å; L143-A159 HydrophobicContact CB-CB 4.29Å; L143-A159 HydrophobicContact CD2-CB 3.63Å; L143-I164 HydrophobicContact CB-CG2 4.17Å; L143-R165 PolarHBondContact N-O 3.22Å; L143-I166 VanDerWaalsContact O-CA 3.31Å; L143-I166 WeakPolarHBondContact O-CA 3.3Å; L143-L167 PolarHBondContact O-N 3.3Å
144	I	98.8	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	171.1	-54.5	-171.2	0	0	0	109.1	V48 C49 V50 L61 I64 L68 L167 L169 L411	V48-I144 HydrophobicContact CG1-CD1 3.7Å; V48-I144 HydrophobicContact CG1-CG1 3.81Å; C49-I144 PolarHBondContact O-N 3.2Å; V50-I144 HydrophobicContact CG2-CB 4.21Å; V50-I144 HydrophobicContact CG2-CD1 4.02Å; V50-I144 HydrophobicContact CG2-CG1 4.24Å; L61-I144 HydrophobicContact CD2-CG2 3.63Å; I64-I144 HydrophobicContact CG2-CD1 3.91Å; L68-I144 HydrophobicContact CD1-CD1 4.12Å; I144-L167 HydrophobicContact CD1-CD2 4.35Å; I144-L167 HydrophobicContact CG1-CB 4.4Å; I144-L167 HydrophobicContact CG1-CD2 4.42Å; I144-L169 HydrophobicContact CG2-CD1 3.74Å; I144-L169 HydrophobicContact CG2-CD2 4.42Å; I144-L169 HydrophobicContact CG2-CG 3.93Å; I144-L411 HydrophobicContact CD1-CD1 4.35Å
145	V	98.4	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.9	179.6	-179.4	0	0	0	0	108.8	L143 A152 L155 I166 L167 H168 L169 I186	L143-V145 HydrophobicContact CD2-CG2 3.84Å; L143-V145 HydrophobicContact CG-CG2 3.89Å; V145-A152 HydrophobicContact CG1-CB 3.79Å; V145-L155 HydrophobicContact CG1-CB 4.31Å; V145-L155 HydrophobicContact CG2-CB 3.93Å; V145-I166 HydrophobicContact CB-CG2 4.17Å; V145-I166 HydrophobicContact CG2-CG2 3.92Å; V145-L167 PolarHBondContact N-O 2.87Å; V145-H168 CarbonylContact O-C 3.6Å; V145-H168 WeakPolarHBondContact O-CA 3.41Å; V145-L169 PolarHBondContact O-N 3.18Å; V145-I186 HydrophobicContact CG1-CG2 4.33Å
146	H	98.4	Very high	97.4	Very high	20 Å²	20	24.9 Å²	24.9	9%	0.093	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.3	-176.6	169.5	-82.1	0	0	0	112.9	D57 K60 L61 A152 L169 E170	D57-H146 WeakPolarHBondContact CA-ND1 3.5Å; D57-H146 HydrophobicContact CB-CB 4Å; D57-H146 VanDerWaalsContact CB-ND1 3.29Å; D57-H146 WeakPolarHBondContact CB-ND1 3.25Å; K60-H146 WeakPolarHBondContact CD-NE2 3.3Å; L61-H146 HydrophobicContact CD1-CB 4.1Å; L61-H146 HydrophobicContact CD2-CB 3.95Å; L61-H146 HydrophobicContact CG-CB 3.98Å; H146-A152 WeakPolarHBondContact O-CB 3.32Å; H146-L169 HydrophobicContact CB-CB 4.33Å; H146-L169 HydrophobicContact CB-CD1 4.4Å; H146-E170 IonicContact CE1-OE2 3.47Å; H146-E170 IonicContact NE2-OE2 3.63Å; H146-E170 PolarHBondContact NE2-OE2 3.12Å; H146-E170 VanDerWaalsContact NE2-OE2 3.11Å
147	G	94.8	Very high	97.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	84	-144.4	159.5	0	0	0	0	0	114.7	H168 L169	G147-H168 PolarHBondContact O-NE2 2.65Å; G147-L169 PolarHBondContact N-O 3.27Å
148	D	96.1	Very high	97.5	Very high	20 Å²	20	13.6 Å²	13.6	11%	0.107	8%	0.079	C	C	.	.	S	Bend	trans	-140.8	7.5	-158.6	57.2	5.9	0	0	0	113.8	D179 I182 R183	D148-D179 HydrophobicContact CB-CB 4.08Å; D148-I182 VanDerWaalsContact O-CB 3.29Å; D148-I182 WeakPolarHBondContact O-CB 3.42Å; D148-I182 WeakPolarHBondContact O-CG2 3.41Å; D148-R183 HydrophobicContact CB-CB 3.8Å; D148-R183 HydrophobicContact CB-CG 4.28Å; D148-R183 IonicContact OD2-CZ 2.72Å; D148-R183 IonicContact OD2-NH1 3.61Å; D148-R183 IonicContact OD2-NH2 3.13Å; D148-R183 PolarHBondContact OD2-NH2 3.06Å
149	R	94.9	Very high	97.6	Very high	19 Å²	19	13.1 Å²	13.1	7%	0.072	8%	0.077	C	C	.	.	S	Bend	trans	-86.7	159.7	-177.4	-69.5	-172.3	62.3	-122.1	-27.3	112	N54 D151 A152 L153 D292	N54-R149 PolarHBondContact ND2-NH1 3.08Å; R149-D151 IonicContact CZ-OD2 2.8Å; R149-D151 IonicContact NH1-OD2 3.63Å; R149-D151 IonicContact NH2-OD2 3.87Å; R149-D151 PolarHBondContact NH2-OD2 2.89Å; R149-D151 PolarHBondContact O-N 2.98Å; R149-A152 WeakPolarHBondContact O-CB 3.2Å; R149-A152 PolarHBondContact O-N 3.31Å; R149-L153 PolarHBondContact O-N 2.93Å; R149-D292 IonicContact NE-OD1 3.85Å
150	F	95.6	Very high	97.6	Very high	10 Å²	10	10.6 Å²	10.6	4%	0.044	6%	0.061	C	C	.	.	H	α-helix	trans	-54	-36.1	177.9	65.8	-96.8	0	0	0	113.4	I111 M120 V124 A152 L153 A154 I291	I111-F150 HydrophobicContact CD1-CE2 4.07Å; I111-F150 HydrophobicContact CD1-CZ 4.23Å; M120-F150 HydrophobicContact CE-CD1 4.18Å; M120-F150 HydrophobicContact CE-CE1 4.26Å; M120-F150 HydrophobicContact CG-CB 4Å; M120-F150 HydrophobicContact CG-CD1 3.39Å; M120-F150 HydrophobicContact CG-CD2 4.07Å; M120-F150 HydrophobicContact CG-CE1 3.76Å; M120-F150 HydrophobicContact CG-CE2 4.42Å; M120-F150 HydrophobicContact CG-CG 3.55Å; M120-F150 HydrophobicContact CG-CZ 4.28Å; M120-F150 HydrophobicContact SD-CB 4.22Å; M120-F150 HydrophobicContact SD-CD1 3.56Å; M120-F150 VanDerWaalsContact SD-CD1 3.56Å; M120-F150 HydrophobicContact SD-CE1 4.18Å; M120-F150 HydrophobicContact SD-CG 4.09Å; V124-F150 HydrophobicContact CG2-CB 3.73Å; V124-F150 HydrophobicContact CG2-CD2 3.9Å; V124-F150 HydrophobicContact CG2-CG 4.28Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 3.28Å; F150-L153 WeakPolarHBondContact O-CB 3.36Å; F150-L153 PolarHBondContact O-N 3.11Å; F150-A154 PolarHBondContact O-N 3.2Å; F150-I291 HydrophobicContact CE1-CG2 4.05Å; F150-I291 HydrophobicContact CZ-CG2 3.88Å
151	D	96.5	Very high	97.6	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-40.5	176.2	-64.9	-70.3	0	0	0	111.7	C53 R149 L153 A154 L155	C53-D151 HydrophobicContact CB-CB 3.65Å; R149-D151 IonicContact CZ-OD2 2.8Å; R149-D151 IonicContact NH1-OD2 3.63Å; R149-D151 IonicContact NH2-OD2 3.87Å; R149-D151 PolarHBondContact NH2-OD2 2.89Å; R149-D151 PolarHBondContact O-N 2.98Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.23Å; D151-A154 WeakPolarHBondContact O-CB 3.45Å; D151-A154 PolarHBondContact O-N 3.26Å; D151-L155 PolarHBondContact O-N 3.14Å
152	A	98	Very high	97.6	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-32.3	179.7	0	0	0	0	0	112.1	V145 H146 R149 F150 A154 L155 A156 I186	V145-A152 HydrophobicContact CG1-CB 3.79Å; H146-A152 WeakPolarHBondContact O-CB 3.32Å; R149-A152 WeakPolarHBondContact O-CB 3.2Å; R149-A152 PolarHBondContact O-N 3.31Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 3.28Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-L155 PolarHBondContact O-N 3.41Å; A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.35Å; A152-I186 HydrophobicContact CB-CD1 3.67Å
153	L	98.6	Very high	97.5	Very high	45 Å²	45	24.5 Å²	24.5	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-40.4	173.1	-176.2	61.2	0	0	0	111.8	R149 F150 D151 T157 I182 A185 I186 L189	R149-L153 PolarHBondContact O-N 2.93Å; F150-L153 WeakPolarHBondContact O-CB 3.36Å; F150-L153 PolarHBondContact O-N 3.11Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.23Å; L153-T157 VanDerWaalsContact O-CB 3.28Å; L153-T157 WeakPolarHBondContact O-CB 3.44Å; L153-T157 PolarHBondContact O-N 2.85Å; L153-T157 PolarHBondContact O-OG1 2.94Å; L153-I182 HydrophobicContact CB-CG2 4.02Å; L153-A185 HydrophobicContact CD1-CB 4.3Å; L153-I186 HydrophobicContact CB-CD1 4.41Å; L153-I186 HydrophobicContact CB-CG1 4.28Å; L153-I186 HydrophobicContact CD1-CG1 4.03Å; L153-L189 HydrophobicContact CD1-CD1 4.17Å
154	A	98.4	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-45.1	175.6	0	0	0	0	0	111.3	V124 A127 L128 F150 D151 A152 T157 A158	V124-A154 HydrophobicContact CG1-CB 4.08Å; A127-A154 HydrophobicContact CB-CB 3.68Å; L128-A154 HydrophobicContact CD2-CB 4.31Å; L128-A154 VanDerWaalsContact CD2-O 3.3Å; L128-A154 WeakPolarHBondContact CD2-O 3.49Å; L128-A154 HydrophobicContact CG-CB 4.28Å; F150-A154 PolarHBondContact O-N 3.2Å; D151-A154 WeakPolarHBondContact O-CB 3.45Å; D151-A154 PolarHBondContact O-N 3.26Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A154-T157 PolarHBondContact O-N 3.34Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 3.42Å
155	L	98.7	Very high	97.4	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-50.2	177.1	-69.3	171.7	0	0	0	112.2	A51 L82 L131 L143 V145 D151 A152 T157 A158 A159	A51-L155 HydrophobicContact CB-CD1 3.6Å; A51-L155 HydrophobicContact CB-CD2 3.41Å; A51-L155 VanDerWaalsContact CB-CD2 3.41Å; A51-L155 HydrophobicContact CB-CG 4.15Å; L82-L155 HydrophobicContact CD1-CD2 4.49Å; L82-L155 HydrophobicContact CD2-CD2 4.23Å; L131-L155 HydrophobicContact CD1-CD2 3.86Å; L131-L155 HydrophobicContact CD2-CD2 3.8Å; L143-L155 HydrophobicContact CD2-CB 4.24Å; V145-L155 HydrophobicContact CG1-CB 4.31Å; V145-L155 HydrophobicContact CG2-CB 3.93Å; D151-L155 PolarHBondContact O-N 3.14Å; A152-L155 PolarHBondContact O-N 3.41Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 2.95Å; L155-A158 PolarHBondContact O-N 3.12Å; L155-A159 WeakPolarHBondContact O-CB 3.36Å; L155-A159 PolarHBondContact O-N 3.38Å
156	A	98.5	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-40.4	179.9	0	0	0	0	0	112.1	A152 A160 I166 I186 L189	A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.35Å; A156-A160 WeakPolarHBondContact O-CB 3.26Å; A156-A160 PolarHBondContact O-N 3.45Å; A156-I166 HydrophobicContact CB-CD1 4.33Å; A156-I166 WeakPolarHBondContact O-CD1 3.38Å; A156-I186 HydrophobicContact CB-CB 4.44Å; A156-I186 HydrophobicContact CB-CG1 4.28Å; A156-I186 HydrophobicContact CB-CG2 3.87Å; A156-L189 HydrophobicContact CB-CB 4.24Å; A156-L189 HydrophobicContact CB-CD1 4.03Å
157	T	98.6	Very high	97.4	Very high	35 Å²	35	25.5 Å²	25.5	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-47.6	178.5	-58.3	0	0	0	0	111.3	L128 L153 A154 L155 L161	L128-T157 HydrophobicContact CD2-CG2 4.04Å; L153-T157 VanDerWaalsContact O-CB 3.28Å; L153-T157 WeakPolarHBondContact O-CB 3.44Å; L153-T157 PolarHBondContact O-N 2.85Å; L153-T157 PolarHBondContact O-OG1 2.94Å; A154-T157 PolarHBondContact O-N 3.34Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-T157 PolarHBondContact O-N 2.95Å; T157-L161 HydrophobicContact CG2-CD1 3.88Å; T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 WeakPolarHBondContact O-CG 3.38Å; T157-L161 PolarHBondContact O-N 3.18Å; T157-L161 VanDerWaalsContact O-N 3.11Å
158	A	98.4	Very high	97.6	Very high	5 Å²	5	25.4 Å²	25.4	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-48.5	178.6	0	0	0	0	0	111.5	L128 L131 L135 A154 L155 M162	L128-A158 HydrophobicContact CD2-CB 4.1Å; L131-A158 HydrophobicContact CB-CB 4.01Å; L131-A158 HydrophobicContact CD1-CB 4.14Å; L135-A158 HydrophobicContact CD1-CB 4.06Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 3.42Å; L155-A158 PolarHBondContact O-N 3.12Å; A158-M162 WeakPolarHBondContact O-CB 3.39Å; A158-M162 VanDerWaalsContact O-CG 3.23Å; A158-M162 WeakPolarHBondContact O-CG 3.49Å; A158-M162 PolarHBondContact O-N 2.9Å; A158-M162 VanDerWaalsContact O-N 3.15Å
159	A	98.1	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-45.5	-179.8	0	0	0	0	0	112.7	L143 L155 L161 M162 N163 I164 I166	L143-A159 HydrophobicContact CB-CB 4.29Å; L143-A159 HydrophobicContact CD2-CB 3.63Å; L155-A159 WeakPolarHBondContact O-CB 3.36Å; L155-A159 PolarHBondContact O-N 3.38Å; A159-L161 PolarHBondContact O-N 3.21Å; A159-M162 CarbonylContact O-C 3.58Å; A159-M162 PolarHBondContact O-N 3.23Å; A159-N163 PolarHBondContact O-N 3.42Å; A159-I164 HydrophobicContact CB-CB 4.04Å; A159-I164 HydrophobicContact CB-CG2 4.26Å; A159-I164 PolarHBondContact O-N 2.78Å; A159-I166 HydrophobicContact CB-CD1 3.84Å; A159-I166 HydrophobicContact CB-CG1 3.64Å
160	A	97.3	Very high	97.8	Very high	22 Å²	22	24.1 Å²	24.1	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-45.5	-179.3	0	0	0	0	0	111.9	A156 M162 N163 I166 L189	A156-A160 WeakPolarHBondContact O-CB 3.26Å; A156-A160 PolarHBondContact O-N 3.45Å; A160-M162 PolarHBondContact O-N 3.48Å; A160-N163 PolarHBondContact O-N 3.39Å; A160-I166 HydrophobicContact CB-CD1 4Å; A160-L189 HydrophobicContact CB-CB 4.27Å; A160-L189 HydrophobicContact CB-CD2 4.26Å
161	L	97.1	Very high	97.9	Very high	141 Å²	141	23.7 Å²	23.7	74%	0.738	13%	0.127	S	C	*	.	H	α-helix	trans	-68.7	-22.8	179.1	-68.2	175.8	0	0	0	113.4	T157 A159	T157-L161 HydrophobicContact CG2-CD1 3.88Å; T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 WeakPolarHBondContact O-CG 3.38Å; T157-L161 PolarHBondContact O-N 3.18Å; T157-L161 VanDerWaalsContact O-N 3.11Å; A159-L161 PolarHBondContact O-N 3.21Å
162	M	96.9	Very high	97.9	Very high	64 Å²	64	23.5 Å²	23.5	32%	0.315	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	8.5	177.4	-67.9	-176.6	66.5	0	0	113.6	P132 L135 Q136 A158 A159 A160 I164	P132-M162 VanDerWaalsContact CA-SD 3.53Å; P132-M162 HydrophobicContact CB-CE 4.41Å; P132-M162 HydrophobicContact CB-SD 3.76Å; P132-M162 HydrophobicContact CG-SD 4.3Å; P132-M162 WeakPolarHBondContact O-CE 3.33Å; L135-M162 HydrophobicContact CB-CE 3.99Å; L135-M162 HydrophobicContact CB-SD 4.08Å; L135-M162 HydrophobicContact CD1-SD 4.1Å; Q136-M162 HydrophobicContact CB-CE 4.28Å; A158-M162 WeakPolarHBondContact O-CB 3.39Å; A158-M162 VanDerWaalsContact O-CG 3.23Å; A158-M162 WeakPolarHBondContact O-CG 3.49Å; A158-M162 PolarHBondContact O-N 2.9Å; A158-M162 VanDerWaalsContact O-N 3.15Å; A159-M162 CarbonylContact O-C 3.58Å; A159-M162 PolarHBondContact O-N 3.23Å; A160-M162 PolarHBondContact O-N 3.48Å; M162-I164 VanDerWaalsContact C-N 3.3Å; M162-I164 HydrophobicContact CB-CD1 4Å; M162-I164 HydrophobicContact CB-CG1 4.24Å; M162-I164 PolarHBondContact O-N 2.88Å
163	N	96	Very high	97.8	Very high	118 Å²	118	23.6 Å²	23.6	63%	0.631	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	43	-176.1	-69.9	-49.2	0	0	0	112.9	A159 A160 L420	A159-N163 PolarHBondContact O-N 3.42Å; A160-N163 PolarHBondContact O-N 3.39Å; N163-L420 HydrophobicContact CB-CD2 3.43Å; N163-L420 VanDerWaalsContact CB-CD2 3.43Å; N163-L420 WeakPolarHBondContact O-CD2 3.18Å
164	I	97.6	Very high	97.7	Very high	15 Å²	15	23.3 Å²	23.3	8%	0.077	13%	0.126	C	C	.	.			trans	-104.7	130.4	172.2	-63.3	167.5	0	0	0	108	L135 P140 L143 A159 M162 H191	L135-I164 HydrophobicContact CB-CD1 3.77Å; L135-I164 HydrophobicContact CD1-CD1 4.09Å; L135-I164 HydrophobicContact CD2-CD1 4.33Å; L135-I164 HydrophobicContact CG-CD1 4.28Å; P140-I164 HydrophobicContact CG-CD1 4.19Å; P140-I164 HydrophobicContact CG-CG2 3.99Å; L143-I164 HydrophobicContact CB-CG2 4.17Å; A159-I164 HydrophobicContact CB-CB 4.04Å; A159-I164 HydrophobicContact CB-CG2 4.26Å; A159-I164 PolarHBondContact O-N 2.78Å; M162-I164 VanDerWaalsContact C-N 3.3Å; M162-I164 HydrophobicContact CB-CD1 4Å; M162-I164 HydrophobicContact CB-CG1 4.24Å; M162-I164 PolarHBondContact O-N 2.88Å; I164-H191 PolarHBondContact O-CE1 3.1Å
165	R	98.2	Very high	97.3	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.106	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	148.8	177.9	-67.9	168.9	168.5	78.4	-1.9	109.6	D141 I142 L143 Y192 L416 E418 L420	D141-R165 WeakPolarHBondContact O-CB 3.46Å; I142-R165 CarbonylContact C-O 3.55Å; I142-R165 WeakPolarHBondContact CA-O 3.44Å; I142-R165 HydrophobicContact CB-CB 4.01Å; I142-R165 HydrophobicContact CD1-CB 4.06Å; I142-R165 HydrophobicContact CG1-CB 3.8Å; L143-R165 PolarHBondContact N-O 3.22Å; R165-Y192 HydrophobicContact CB-CD2 4.49Å; R165-Y192 HydrophobicContact CB-CE2 4.17Å; R165-Y192 HydrophobicContact CG-CE2 4.11Å; R165-L416 PolarHBondContact NH2-O 2.9Å; R165-E418 PolarHBondContact NH2-O 3.08Å; R165-L420 HydrophobicContact CB-CD1 4.24Å; R165-L420 HydrophobicContact CG-CD1 3.2Å
166	I	98.6	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.9	179.6	-61.1	160.5	0	0	0	108.3	L143 V145 A156 A159 A160 A190 H191 Y192	L143-I166 VanDerWaalsContact O-CA 3.31Å; L143-I166 WeakPolarHBondContact O-CA 3.3Å; V145-I166 HydrophobicContact CB-CG2 4.17Å; V145-I166 HydrophobicContact CG2-CG2 3.92Å; A156-I166 HydrophobicContact CB-CD1 4.33Å; A156-I166 WeakPolarHBondContact O-CD1 3.38Å; A159-I166 HydrophobicContact CB-CD1 3.84Å; A159-I166 HydrophobicContact CB-CG1 3.64Å; A160-I166 HydrophobicContact CB-CD1 4Å; I166-A190 HydrophobicContact CB-CB 4.19Å; I166-A190 HydrophobicContact CG2-CB 3.76Å; I166-H191 PolarHBondContact N-ND1 2.65Å; I166-H191 PolarHBondContact O-N 2.92Å; I166-Y192 PolarHBondContact O-N 2.85Å
167	L	98.6	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.1	162.4	178.5	63.5	0	0	0	108.5	I142 L143 I144 V145 L169 Y192 A194 I407 F410 L411	I142-L167 HydrophobicContact CD1-CB 3.98Å; I142-L167 HydrophobicContact CG1-CB 4.41Å; L143-L167 PolarHBondContact O-N 3.3Å; I144-L167 HydrophobicContact CD1-CD2 4.35Å; I144-L167 HydrophobicContact CG1-CB 4.4Å; I144-L167 HydrophobicContact CG1-CD2 4.42Å; V145-L167 PolarHBondContact N-O 2.87Å; L167-L169 HydrophobicContact CD2-CD2 4.08Å; L167-L169 HydrophobicContact CG-CD2 4.02Å; L167-Y192 WeakPolarHBondContact CA-O 3.32Å; L167-A194 HydrophobicContact CD1-CB 4.2Å; L167-I407 HydrophobicContact CD2-CG2 4Å; L167-F410 HydrophobicContact CD1-CD1 4.28Å; L167-F410 HydrophobicContact CD1-CE1 4.01Å; L167-L411 HydrophobicContact CD2-CD2 3.89Å; L167-L411 HydrophobicContact CD2-CG 4.28Å
168	H	98.7	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.5	176.7	-180	-144.7	0	0	0	111	V145 G147 R183 I186 S187 A190 Y192 H193 A194	V145-H168 CarbonylContact O-C 3.6Å; V145-H168 WeakPolarHBondContact O-CA 3.41Å; G147-H168 PolarHBondContact O-NE2 2.65Å; H168-R183 PolarHBondContact CE1-O 3.17Å; H168-I186 HydrophobicContact CB-CG2 4.36Å; H168-I186 VanDerWaalsContact CD2-CG2 3.44Å; H168-I186 WeakPolarHBondContact CD2-CG2 3.31Å; H168-I186 WeakPolarHBondContact NE2-CG2 3.3Å; H168-S187 PolarHBondContact ND1-OG 2.95Å; H168-A190 HydrophobicContact CB-CB 3.41Å; H168-A190 VanDerWaalsContact CB-CB 3.41Å; H168-Y192 PolarHBondContact N-O 2.86Å; H168-H193 WeakPolarHBondContact O-CA 3.41Å; H168-A194 PolarHBondContact O-N 2.93Å
169	L	98.4	Very high	96	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143	175.3	-51.6	-179	0	0	0	110.7	L61 I64 I144 V145 H146 G147 L167 G171 A194 I407	L61-L169 HydrophobicContact CD2-CD1 3.57Å; I64-L169 HydrophobicContact CD1-CD1 3.28Å; I64-L169 HydrophobicContact CD1-CD2 4.13Å; I64-L169 HydrophobicContact CD1-CG 4.35Å; I144-L169 HydrophobicContact CG2-CD1 3.74Å; I144-L169 HydrophobicContact CG2-CD2 4.42Å; I144-L169 HydrophobicContact CG2-CG 3.93Å; V145-L169 PolarHBondContact O-N 3.18Å; H146-L169 HydrophobicContact CB-CB 4.33Å; H146-L169 HydrophobicContact CB-CD1 4.4Å; G147-L169 PolarHBondContact N-O 3.27Å; L167-L169 HydrophobicContact CD2-CD2 4.08Å; L167-L169 HydrophobicContact CG-CD2 4.02Å; L169-G171 PolarHBondContact O-N 3.09Å; L169-A194 WeakPolarHBondContact CA-O 3.48Å; L169-A194 HydrophobicContact CD2-CB 3.67Å; L169-I407 HydrophobicContact CD2-CD1 4.4Å
170	E	97.8	Very high	95.8	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	66	27.9	175.3	-154.7	175.3	134.7	0	0	113.4	K60 H146 E173 R183 A194 R343	K60-E170 VanDerWaalsContact CD-OE2 3.3Å; K60-E170 WeakPolarHBondContact CD-OE2 3.45Å; K60-E170 WeakPolarHBondContact CE-OE2 3.44Å; H146-E170 IonicContact CE1-OE2 3.47Å; H146-E170 IonicContact NE2-OE2 3.63Å; H146-E170 PolarHBondContact NE2-OE2 3.12Å; H146-E170 VanDerWaalsContact NE2-OE2 3.11Å; E170-E173 HydrophobicContact CG-CG 4.22Å; E170-E173 WeakPolarHBondContact CG-OE1 3.5Å; E170-E173 VanDerWaalsContact CG-OE2 3.31Å; E170-E173 WeakPolarHBondContact CG-OE2 3.37Å; E170-R183 WeakPolarHBondContact O-CD 3.27Å; E170-R183 PolarHBondContact O-NH1 3.49Å; E170-R183 IonicContact OE1-NH1 3.75Å; E170-A194 PolarHBondContact N-O 2.88Å; E170-R343 IonicContact OE1-CZ 3.74Å; E170-R343 IonicContact OE1-NE 3.71Å; E170-R343 IonicContact OE1-NH1 3.67Å; E170-R343 PolarHBondContact OE1-NH1 3.41Å; E170-R343 IonicContact OE1-NH2 3.85Å; E170-R343 PolarHBondContact OE1-NH2 3.08Å; E170-R343 IonicContact OE2-CZ 3.73Å; E170-R343 IonicContact OE2-NH1 3.32Å; E170-R343 PolarHBondContact OE2-NH1 3.03Å; E170-R343 IonicContact OE2-NH2 2.81Å; E170-R343 PolarHBondContact OE2-NH2 2.85Å
171	G	96.9	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	157.6	165.5	0	0	0	0	0	112	L169 E173	L169-G171 PolarHBondContact O-N 3.09Å; G171-E173 VanDerWaalsContact C-N 3.28Å; G171-E173 PolarHBondContact O-N 3.48Å
172	G	96.3	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-9.2	175.1	0	0	0	0	0	116.5	A200 H203	G172-A200 WeakPolarHBondContact CA-O 3.39Å; G172-A200 WeakPolarHBondContact O-CA 3.27Å; G172-H203 WeakPolarHBondContact O-CB 3.33Å; G172-H203 PolarHBondContact O-ND1 3.17Å
173	E	96.4	Very high	96	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.028	14%	0.138	C	C	.	.			trans	-75.7	161.9	174.4	-60	-173.5	168.9	0	0	112.5	E170 G171 R183 H184 A200 R343 R362 Y398	E170-E173 HydrophobicContact CG-CG 4.22Å; E170-E173 WeakPolarHBondContact CG-OE1 3.5Å; E170-E173 VanDerWaalsContact CG-OE2 3.31Å; E170-E173 WeakPolarHBondContact CG-OE2 3.37Å; G171-E173 VanDerWaalsContact C-N 3.28Å; G171-E173 PolarHBondContact O-N 3.48Å; E173-R183 WeakPolarHBondContact O-CD 3.44Å; E173-R183 PolarHBondContact O-NE 2.66Å; E173-R183 VanDerWaalsContact O-NE 3.12Å; E173-R183 IonicContact OE2-NH1 2.72Å; E173-H184 PolarHBondContact O-CE1 2.96Å; E173-A200 HydrophobicContact CG-CB 4.08Å; E173-R343 IonicContact OE1-CZ 2.8Å; E173-R343 IonicContact OE1-NE 3.71Å; E173-R343 PolarHBondContact OE1-NE 2.76Å; E173-R343 IonicContact OE1-NH2 2.67Å; E173-R343 PolarHBondContact OE1-NH2 3.24Å; E173-R343 IonicContact OE2-CZ 2.83Å; E173-R343 IonicContact OE2-NE 2.95Å; E173-R343 PolarHBondContact OE2-NE 3.23Å; E173-R343 IonicContact OE2-NH2 3.99Å; E173-R362 IonicContact OE2-CZ 2.89Å; E173-R362 IonicContact OE2-NH1 3.46Å; E173-R362 PolarHBondContact OE2-NH1 3.34Å; E173-R362 IonicContact OE2-NH2 3.67Å; E173-R362 PolarHBondContact OE2-NH2 3.04Å; E173-Y398 WeakPolarHBondContact OE1-CE1 3.48Å
174	V	95.3	Very high	96.1	Very high	40 Å²	40	19.8 Å²	19.8	24%	0.242	12%	0.117	C	C	.	.			trans	-122.8	142.1	179.2	179.1	0	0	0	0	109.7	D180 R362	V174-D180 WeakPolarHBondContact CG1-OD2 3.21Å; V174-R362 WeakPolarHBondContact O-CA 3.21Å; V174-R362 VanDerWaalsContact O-CB 3.3Å; V174-R362 WeakPolarHBondContact O-CB 3.34Å
175	S	92	Very high	96.1	Very high	1 Å²	1	21 Å²	21	1%	0.007	13%	0.13	C	C	.	.			trans	-141.8	-9	-175.4	65.9	0	0	0	0	114.8	D180 Q359 T360	S175-D180 WeakPolarHBondContact CA-OD1 3.38Å; S175-D180 WeakPolarHBondContact CB-OD1 3.46Å; S175-D180 PolarHBondContact N-OD1 2.86Å; S175-D180 PolarHBondContact N-OD2 2.6Å; S175-D180 PolarHBondContact OG-OD1 2.99Å; S175-Q359 VanDerWaalsContact O-CA 3.31Å; S175-Q359 WeakPolarHBondContact O-CA 3.33Å; S175-Q359 PolarHBondContact O-N 3.04Å; S175-T360 CarbonylContact C-O 3.44Å; S175-T360 PolarHBondContact O-N 3.33Å
176	G	87.4	Confident	96.1	Very high	35 Å²	35	19.7 Å²	19.7	36%	0.361	13%	0.125	S	C	.	.	S	Bend	trans	75	27.7	169.4	0	0	0	0	0	114.6	D180 T360	G176-D180 PolarHBondContact N-OD2 2.86Å; G176-T360 PolarHBondContact N-O 3.28Å
177	T	91.5	Very high	96.1	Very high	21 Å²	21	19.7 Å²	19.7	13%	0.129	13%	0.125	C	C	.	.	S	Bend	trans	-137.8	-175.3	177.9	60.9	0	0	0	0	110.6	D179 D180 V259 R358	T177-D179 PolarHBondContact O-N 2.89Å; T177-D179 VanDerWaalsContact O-N 3.12Å; T177-D179 VanDerWaalsContact OG1-CB 3.28Å; T177-D179 WeakPolarHBondContact OG1-CB 3.29Å; T177-D179 PolarHBondContact OG1-N 3.09Å; T177-D179 PolarHBondContact OG1-OD2 2.77Å; T177-D180 PolarHBondContact O-N 2.94Å; T177-D180 VanDerWaalsContact O-N 3.13Å; T177-V259 HydrophobicContact CG2-CG1 4.15Å; T177-R358 HydrophobicContact CG2-CB 3.86Å; T177-R358 HydrophobicContact CG2-CG 3.86Å
178	I	92.7	Very high	96.1	Very high	69 Å²	69	22.5 Å²	22.5	35%	0.354	14%	0.137	S	C	.	.	H	α-helix	trans	-56.1	-24.4	171.3	-167.1	60.2	0	0	0	112.7	D180 S181 I182 T260	I178-D180 PolarHBondContact O-N 2.85Å; I178-S181 WeakPolarHBondContact O-CB 3.31Å; I178-S181 PolarHBondContact O-N 3.39Å; I178-I182 PolarHBondContact O-N 2.99Å; I178-I182 VanDerWaalsContact O-N 3.14Å; I178-T260 WeakPolarHBondContact CG2-OG1 3.47Å
179	D	94	Very high	96.1	Very high	18 Å²	18	25.2 Å²	25.2	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-32	178.2	-51.7	-24.5	0	0	0	111	D148 T177 I182 R183 R358	D148-D179 HydrophobicContact CB-CB 4.08Å; T177-D179 PolarHBondContact O-N 2.89Å; T177-D179 VanDerWaalsContact O-N 3.12Å; T177-D179 VanDerWaalsContact OG1-CB 3.28Å; T177-D179 WeakPolarHBondContact OG1-CB 3.29Å; T177-D179 PolarHBondContact OG1-N 3.09Å; T177-D179 PolarHBondContact OG1-OD2 2.77Å; D179-I182 PolarHBondContact O-N 3.12Å; D179-R183 VanDerWaalsContact O-CB 3.28Å; D179-R183 WeakPolarHBondContact O-CB 3.26Å; D179-R183 PolarHBondContact O-N 2.8Å; D179-R358 IonicContact OD2-NE 2.84Å; D179-R358 IonicContact OD2-NH2 3.94Å
180	D	95.2	Very high	96	Very high	26 Å²	26	25 Å²	25	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.7	-70.8	-4.5	0	0	0	111.5	V174 S175 G176 T177 I178 I182 R183 H184	V174-D180 WeakPolarHBondContact CG1-OD2 3.21Å; S175-D180 WeakPolarHBondContact CA-OD1 3.38Å; S175-D180 WeakPolarHBondContact CB-OD1 3.46Å; S175-D180 PolarHBondContact N-OD1 2.86Å; S175-D180 PolarHBondContact N-OD2 2.6Å; S175-D180 PolarHBondContact OG-OD1 2.99Å; G176-D180 PolarHBondContact N-OD2 2.86Å; T177-D180 PolarHBondContact O-N 2.94Å; T177-D180 VanDerWaalsContact O-N 3.13Å; I178-D180 PolarHBondContact O-N 2.85Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 3.27Å; D180-R183 PolarHBondContact O-N 2.95Å; D180-H184 WeakPolarHBondContact O-CB 3.33Å; D180-H184 PolarHBondContact O-CD2 2.94Å; D180-H184 PolarHBondContact O-N 3.34Å
181	S	97.4	Very high	96.1	Very high	77 Å²	77	25.4 Å²	25.4	54%	0.538	15%	0.152	S	C	.	.	H	α-helix	trans	-63.2	-43	176.8	-62.1	0	0	0	0	110.9	I178 A185	I178-S181 WeakPolarHBondContact O-CB 3.31Å; I178-S181 PolarHBondContact O-N 3.39Å; S181-A185 VanDerWaalsContact O-CB 3.3Å; S181-A185 WeakPolarHBondContact O-CB 3.3Å; S181-A185 PolarHBondContact O-N 3.47Å
182	I	97.9	Very high	96.1	Very high	24 Å²	24	25.9 Å²	25.9	12%	0.123	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-48.4	178.5	-62.4	172.6	0	0	0	110.5	D148 L153 I178 D179 D180 H184 A185 I186	D148-I182 VanDerWaalsContact O-CB 3.29Å; D148-I182 WeakPolarHBondContact O-CB 3.42Å; D148-I182 WeakPolarHBondContact O-CG2 3.41Å; L153-I182 HydrophobicContact CB-CG2 4.02Å; I178-I182 PolarHBondContact O-N 2.99Å; I178-I182 VanDerWaalsContact O-N 3.14Å; D179-I182 PolarHBondContact O-N 3.12Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 3.27Å; I182-H184 VanDerWaalsContact C-N 3.29Å; I182-H184 PolarHBondContact O-N 2.88Å; I182-A185 PolarHBondContact O-N 3.22Å; I182-I186 HydrophobicContact CG2-CD1 3.73Å; I182-I186 HydrophobicContact CG2-CG1 4.34Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.72Å
183	R	98.4	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.2	-45.3	179.1	-169.3	-166.2	-53.2	-80.6	-6	111.6	D148 H168 E170 E173 D179 D180 I186 S187	D148-R183 HydrophobicContact CB-CB 3.8Å; D148-R183 HydrophobicContact CB-CG 4.28Å; D148-R183 IonicContact OD2-CZ 2.72Å; D148-R183 IonicContact OD2-NH1 3.61Å; D148-R183 IonicContact OD2-NH2 3.13Å; D148-R183 PolarHBondContact OD2-NH2 3.06Å; H168-R183 PolarHBondContact CE1-O 3.17Å; E170-R183 WeakPolarHBondContact O-CD 3.27Å; E170-R183 PolarHBondContact O-NH1 3.49Å; E170-R183 IonicContact OE1-NH1 3.75Å; E173-R183 WeakPolarHBondContact O-CD 3.44Å; E173-R183 PolarHBondContact O-NE 2.66Å; E173-R183 VanDerWaalsContact O-NE 3.12Å; E173-R183 IonicContact OE2-NH1 2.72Å; D179-R183 VanDerWaalsContact O-CB 3.28Å; D179-R183 WeakPolarHBondContact O-CB 3.26Å; D179-R183 PolarHBondContact O-N 2.8Å; D180-R183 PolarHBondContact O-N 2.95Å; R183-I186 PolarHBondContact O-N 3.43Å; R183-S187 PolarHBondContact O-N 2.74Å; R183-S187 PolarHBondContact O-OG 3.04Å
184	H	98.3	Very high	96.3	Very high	44 Å²	44	25.8 Å²	25.8	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-78.8	-29.9	-176.5	-59.3	-31.3	0	0	0	112.4	E173 D180 I182 S187 K188 M207	E173-H184 PolarHBondContact O-CE1 2.96Å; D180-H184 WeakPolarHBondContact O-CB 3.33Å; D180-H184 PolarHBondContact O-CD2 2.94Å; D180-H184 PolarHBondContact O-N 3.34Å; I182-H184 VanDerWaalsContact C-N 3.29Å; I182-H184 PolarHBondContact O-N 2.88Å; H184-S187 WeakPolarHBondContact O-CB 3.14Å; H184-S187 PolarHBondContact O-N 2.94Å; H184-K188 WeakPolarHBondContact O-CG 3.35Å; H184-K188 PolarHBondContact O-N 2.96Å; H184-M207 HydrophobicContact CB-SD 3.83Å; H184-M207 VanDerWaalsContact CG-SD 3.52Å; H184-M207 WeakPolarHBondContact ND1-CE 3.23Å
185	A	98.5	Very high	96.5	Very high	41 Å²	41	23.9 Å²	23.9	34%	0.339	14%	0.142	S	C	.	.	H	α-helix	trans	-63.7	-45.4	167.4	0	0	0	0	0	111.6	L153 S181 I182 S187 K188 L189	L153-A185 HydrophobicContact CD1-CB 4.3Å; S181-A185 VanDerWaalsContact O-CB 3.3Å; S181-A185 WeakPolarHBondContact O-CB 3.3Å; S181-A185 PolarHBondContact O-N 3.47Å; I182-A185 PolarHBondContact O-N 3.22Å; A185-S187 VanDerWaalsContact C-N 3.29Å; A185-S187 PolarHBondContact O-N 2.98Å; A185-K188 WeakPolarHBondContact O-CB 3.48Å; A185-K188 PolarHBondContact O-N 3.27Å; A185-K188 VanDerWaalsContact O-N 3.11Å; A185-L189 WeakPolarHBondContact O-CG 3.27Å; A185-L189 PolarHBondContact O-N 3.05Å; A185-L189 VanDerWaalsContact O-N 3.09Å
186	I	98.6	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-43.7	172.9	-66.1	163.2	0	0	0	110.2	V145 A152 L153 A156 H168 I182 R183 K188 L189 A190	V145-I186 HydrophobicContact CG1-CG2 4.33Å; A152-I186 HydrophobicContact CB-CD1 3.67Å; L153-I186 HydrophobicContact CB-CD1 4.41Å; L153-I186 HydrophobicContact CB-CG1 4.28Å; L153-I186 HydrophobicContact CD1-CG1 4.03Å; A156-I186 HydrophobicContact CB-CB 4.44Å; A156-I186 HydrophobicContact CB-CG1 4.28Å; A156-I186 HydrophobicContact CB-CG2 3.87Å; H168-I186 HydrophobicContact CB-CG2 4.36Å; H168-I186 VanDerWaalsContact CD2-CG2 3.44Å; H168-I186 WeakPolarHBondContact CD2-CG2 3.31Å; H168-I186 WeakPolarHBondContact NE2-CG2 3.3Å; I182-I186 HydrophobicContact CG2-CD1 3.73Å; I182-I186 HydrophobicContact CG2-CG1 4.34Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.72Å; R183-I186 PolarHBondContact O-N 3.43Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 2.96Å; I186-L189 PolarHBondContact O-N 3.11Å; I186-L189 VanDerWaalsContact O-N 3.07Å; I186-A190 WeakPolarHBondContact O-CB 3.46Å; I186-A190 PolarHBondContact O-N 2.91Å
187	S	98.4	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56	-45.1	176.4	-57.7	0	0	0	0	110	H168 R183 H184 A185 L189 A190 H193 K422	H168-S187 PolarHBondContact ND1-OG 2.95Å; R183-S187 PolarHBondContact O-N 2.74Å; R183-S187 PolarHBondContact O-OG 3.04Å; H184-S187 WeakPolarHBondContact O-CB 3.14Å; H184-S187 PolarHBondContact O-N 2.94Å; A185-S187 VanDerWaalsContact C-N 3.29Å; A185-S187 PolarHBondContact O-N 2.98Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 2.8Å; S187-A190 PolarHBondContact O-N 2.63Å; S187-A190 VanDerWaalsContact O-N 3.14Å; S187-H193 PolarHBondContact O-CE1 2.74Å; S187-K422 PolarHBondContact O-NZ 2.94Å
188	K	97.9	Very high	97.5	Very high	58 Å²	58	28.9 Å²	28.9	25%	0.252	15%	0.149	S	C	.	.	H	α-helix	trans	-63.6	-32.6	178.2	-72	-74.4	161.9	-71.9	0	113.9	H184 A185 I186 M207 E209 K422 F424	H184-K188 WeakPolarHBondContact O-CG 3.35Å; H184-K188 PolarHBondContact O-N 2.96Å; A185-K188 WeakPolarHBondContact O-CB 3.48Å; A185-K188 PolarHBondContact O-N 3.27Å; A185-K188 VanDerWaalsContact O-N 3.11Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 2.96Å; K188-M207 WeakPolarHBondContact CE-O 3.14Å; K188-M207 PolarHBondContact NZ-O 2.83Å; K188-E209 IonicContact NZ-OE1 3.81Å; K188-E209 PolarHBondContact NZ-OE1 2.72Å; K188-K422 VanDerWaalsContact O-CD 3.31Å; K188-K422 WeakPolarHBondContact O-CD 3.35Å; K188-K422 PolarHBondContact O-NZ 2.8Å; K188-F424 HydrophobicContact CB-CE1 4.39Å; K188-F424 HydrophobicContact CB-CZ 4.2Å; K188-F424 HydrophobicContact CD-CD1 3.99Å; K188-F424 HydrophobicContact CD-CE1 3.44Å; K188-F424 VanDerWaalsContact CD-CE1 3.44Å; K188-F424 HydrophobicContact CD-CE2 4.11Å; K188-F424 HydrophobicContact CD-CZ 3.52Å; K188-F424 HydrophobicContact CG-CZ 4.47Å
189	L	97.9	Very high	97.6	Very high	57 Å²	57	29.3 Å²	29.3	30%	0.298	15%	0.151	S	C	.	.	H	α-helix	trans	-77.3	-29.5	174.5	-62.9	171.9	0	0	0	113	L153 A156 A160 A185 I186 S187	L153-L189 HydrophobicContact CD1-CD1 4.17Å; A156-L189 HydrophobicContact CB-CB 4.24Å; A156-L189 HydrophobicContact CB-CD1 4.03Å; A160-L189 HydrophobicContact CB-CB 4.27Å; A160-L189 HydrophobicContact CB-CD2 4.26Å; A185-L189 WeakPolarHBondContact O-CG 3.27Å; A185-L189 PolarHBondContact O-N 3.05Å; A185-L189 VanDerWaalsContact O-N 3.09Å; I186-L189 PolarHBondContact O-N 3.11Å; I186-L189 VanDerWaalsContact O-N 3.07Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 2.8Å
190	A	98.2	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.			trans	-74.8	144	-172.7	0	0	0	0	0	113.1	I166 H168 I186 S187 K422	I166-A190 HydrophobicContact CB-CB 4.19Å; I166-A190 HydrophobicContact CG2-CB 3.76Å; H168-A190 HydrophobicContact CB-CB 3.41Å; H168-A190 VanDerWaalsContact CB-CB 3.41Å; I186-A190 WeakPolarHBondContact O-CB 3.46Å; I186-A190 PolarHBondContact O-N 2.91Å; S187-A190 PolarHBondContact O-N 2.63Å; S187-A190 VanDerWaalsContact O-N 3.14Å; A190-K422 VanDerWaalsContact O-CD 3.25Å; A190-K422 WeakPolarHBondContact O-CD 3.44Å; A190-K422 WeakPolarHBondContact O-CE 3.31Å; A190-K422 PolarHBondContact O-NZ 3.01Å
191	H	97.9	Very high	97.9	Very high	17 Å²	17	27.7 Å²	27.7	8%	0.079	14%	0.142	C	C	.	.	S	Bend	trans	-89.6	-32.3	-177.6	-55.5	82.6	0	0	0	111.8	I164 I166 R213 L420	I164-H191 PolarHBondContact O-CE1 3.1Å; I166-H191 PolarHBondContact N-ND1 2.65Å; I166-H191 PolarHBondContact O-N 2.92Å; H191-R213 VanDerWaalsContact O-CD 3.32Å; H191-R213 WeakPolarHBondContact O-CD 3.3Å; H191-L420 PolarHBondContact CD2-O 2.88Å; H191-L420 VanDerWaalsContact CD2-O 3.29Å
192	Y	98.2	Very high	97.8	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.8	-179	-60.4	-82	0	0	0	109.5	I142 R165 I166 L167 H168 R213 F410 I414	I142-Y192 HydrophobicContact CD1-CD2 3.98Å; I142-Y192 HydrophobicContact CD1-CE2 4.44Å; R165-Y192 HydrophobicContact CB-CD2 4.49Å; R165-Y192 HydrophobicContact CB-CE2 4.17Å; R165-Y192 HydrophobicContact CG-CE2 4.11Å; I166-Y192 PolarHBondContact O-N 2.85Å; L167-Y192 WeakPolarHBondContact CA-O 3.32Å; H168-Y192 PolarHBondContact N-O 2.86Å; Y192-R213 HydrophobicContact CD1-CB 4.14Å; Y192-R213 HydrophobicContact CD1-CG 4.29Å; Y192-R213 HydrophobicContact CE1-CG 4.29Å; Y192-R213 PolarHBondContact OH-NH1 2.83Å; Y192-F410 HydrophobicContact CD1-CE1 4.15Å; Y192-F410 AromaticContact CD1-CZ 3.82Å; Y192-F410 HydrophobicContact CD1-CZ 3.82Å; Y192-F410 HydrophobicContact CG-CE1 4.42Å; Y192-I414 HydrophobicContact CD1-CD1 4.36Å; Y192-I414 HydrophobicContact CD1-CG1 4.42Å; Y192-I414 HydrophobicContact CD2-CD1 3.99Å; Y192-I414 HydrophobicContact CE1-CD1 4.24Å; Y192-I414 HydrophobicContact CE1-CG1 3.97Å; Y192-I414 HydrophobicContact CE2-CD1 3.88Å; Y192-I414 HydrophobicContact CE2-CG1 4.29Å; Y192-I414 HydrophobicContact CE2-CG2 4.19Å; Y192-I414 HydrophobicContact CG-CD1 4.23Å; Y192-I414 WeakPolarHBondContact OH-CG2 3.45Å
193	H	98.6	Very high	97.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.9	-176	-58.4	-89.2	0	0	0	111	H168 S187 L204 E209 R213 I214 L215	H168-H193 WeakPolarHBondContact O-CA 3.41Å; S187-H193 PolarHBondContact O-CE1 2.74Å; H193-L204 HydrophobicContact CB-CD1 3.89Å; H193-E209 IonicContact NE2-OE2 3.71Å; H193-E209 PolarHBondContact NE2-OE2 3.49Å; H193-R213 PolarHBondContact N-O 2.89Å; H193-I214 HydrophobicContact CB-CB 4.5Å; H193-I214 HydrophobicContact CB-CG1 4.14Å; H193-I214 HydrophobicContact CB-CG2 4.41Å; H193-L215 PolarHBondContact O-N 3.36Å
194	A	98.5	Very high	97.8	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.1	164.5	0	0	0	0	0	109.6	L167 H168 L169 E170 L215 A217 I407	L167-A194 HydrophobicContact CD1-CB 4.2Å; H168-A194 PolarHBondContact O-N 2.93Å; L169-A194 WeakPolarHBondContact CA-O 3.48Å; L169-A194 HydrophobicContact CD2-CB 3.67Å; E170-A194 PolarHBondContact N-O 2.88Å; A194-L215 CarbonylContact C-O 3.54Å; A194-L215 WeakPolarHBondContact CA-O 3.43Å; A194-L215 HydrophobicContact CB-CB 4.49Å; A194-L215 HydrophobicContact CB-CD2 4.43Å; A194-A217 HydrophobicContact CB-CB 4.33Å; A194-I407 HydrophobicContact CB-CG1 4.34Å
195	C	98.3	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	159.1	-177.9	66	0	0	0	0	111.7	A200 L204 L215 A217 G218	C195-A200 HydrophobicContact CB-CB 4.13Å; C195-L204 HydrophobicContact CB-CD1 3.9Å; C195-L215 PolarHBondContact N-O 3.41Å; C195-L215 PolarHBondContact SG-O 3.25Å; C195-L215 VanDerWaalsContact SG-O 3.42Å; C195-A217 PolarHBondContact O-N 3.17Å; C195-G218 PolarHBondContact O-N 3.29Å
196	C	98.2	Very high	97.4	Very high	6 Å²	6	34 Å²	34	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-98.1	-25.3	-170.7	-57.4	0	0	0	0	113.8	C219 Y398	C196-C219 HydrophobicContact CB-CB 4.06Å; C196-C219 VanDerWaalsContact SG-CA 3.53Å; C196-C219 VanDerWaalsContact SG-CB 3.58Å; C196-Y398 HydrophobicContact CB-CD1 4.17Å
197	T	97.7	Very high	97.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-135.2	158.8	-174.6	75.4	0	0	0	0	111.3	M199 A200 E201 L216 E363 I397 Y398	T197-M199 VanDerWaalsContact C-N 3.27Å; T197-M199 PolarHBondContact O-N 3.22Å; T197-A200 PolarHBondContact O-N 3.21Å; T197-A200 WeakPolarHBondContact OG1-CB 3.48Å; T197-A200 PolarHBondContact OG1-N 3.03Å; T197-E201 PolarHBondContact O-N 2.99Å; T197-L216 VanDerWaalsContact C-CD1 3.44Å; T197-L216 WeakPolarHBondContact O-CD1 3.47Å; T197-E363 VanDerWaalsContact CB-OE2 3.28Å; T197-E363 WeakPolarHBondContact CB-OE2 3.13Å; T197-E363 WeakPolarHBondContact CG2-OE2 3.3Å; T197-E363 PolarHBondContact OG1-OE2 3.07Å; T197-I397 HydrophobicContact CG2-CG2 4.22Å; T197-Y398 HydrophobicContact CG2-CD1 3.57Å; T197-Y398 HydrophobicContact CG2-CE1 3.76Å; T197-Y398 HydrophobicContact CG2-CG 4.17Å
198	R	95.8	Very high	97.2	Very high	150 Å²	150	36.7 Å²	36.7	57%	0.566	18%	0.184	S	C	*	.	H	α-helix	trans	-63.6	-33.7	175.9	-170.3	61.5	173.2	-176	2.8	112	E201 Q202	R198-E201 WeakPolarHBondContact CD-OE2 3.4Å; R198-E201 IonicContact CZ-OE2 3.61Å; R198-E201 IonicContact NE-OE2 3.09Å; R198-E201 VanDerWaalsContact NH1-CD 3.27Å; R198-E201 IonicContact NH1-OE1 2.6Å; R198-E201 PolarHBondContact NH1-OE1 2.82Å; R198-E201 IonicContact NH1-OE2 3.11Å; R198-E201 PolarHBondContact NH1-OE2 3.11Å; R198-E201 WeakPolarHBondContact O-CB 3.3Å; R198-Q202 WeakPolarHBondContact O-CG 3.28Å; R198-Q202 PolarHBondContact O-N 2.85Å
199	M	94.7	Very high	97.1	Very high	79 Å²	79	34.1 Å²	34.1	39%	0.389	17%	0.173	S	C	.	.	H	α-helix	trans	-67.9	-41.8	174.4	-71.9	-174.4	53.2	0	0	111.4	T197 E201 Q202 H203 E363	T197-M199 VanDerWaalsContact C-N 3.27Å; T197-M199 PolarHBondContact O-N 3.22Å; M199-E201 VanDerWaalsContact C-N 3.32Å; M199-E201 PolarHBondContact O-N 2.8Å; M199-Q202 WeakPolarHBondContact O-CB 3.4Å; M199-Q202 PolarHBondContact O-N 2.98Å; M199-H203 VanDerWaalsContact O-CG 3.28Å; M199-H203 PolarHBondContact O-N 3.22Å; M199-E363 WeakPolarHBondContact CB-OE2 3.38Å; M199-E363 HydrophobicContact CE-CG 4.11Å; M199-E363 HydrophobicContact SD-CG 3.6Å
200	A	97.9	Very high	97	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-39.8	175.6	0	0	0	0	0	112.3	G172 E173 C195 T197 H203 L204	G172-A200 WeakPolarHBondContact CA-O 3.39Å; G172-A200 WeakPolarHBondContact O-CA 3.27Å; E173-A200 HydrophobicContact CG-CB 4.08Å; C195-A200 HydrophobicContact CB-CB 4.13Å; T197-A200 PolarHBondContact O-N 3.21Å; T197-A200 WeakPolarHBondContact OG1-CB 3.48Å; T197-A200 PolarHBondContact OG1-N 3.03Å; A200-H203 PolarHBondContact O-N 2.81Å; A200-L204 WeakPolarHBondContact O-CG 3.22Å; A200-L204 PolarHBondContact O-N 3.07Å
201	E	98.2	Very high	96.7	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-48.3	171.8	-172	-175.5	-176.9	0	0	111.5	T197 R198 M199 H203 L204 I205 H211 I214	T197-E201 PolarHBondContact O-N 2.99Å; R198-E201 WeakPolarHBondContact CD-OE2 3.4Å; R198-E201 IonicContact CZ-OE2 3.61Å; R198-E201 IonicContact NE-OE2 3.09Å; R198-E201 VanDerWaalsContact NH1-CD 3.27Å; R198-E201 IonicContact NH1-OE1 2.6Å; R198-E201 PolarHBondContact NH1-OE1 2.82Å; R198-E201 IonicContact NH1-OE2 3.11Å; R198-E201 PolarHBondContact NH1-OE2 3.11Å; R198-E201 WeakPolarHBondContact O-CB 3.3Å; M199-E201 VanDerWaalsContact C-N 3.32Å; M199-E201 PolarHBondContact O-N 2.8Å; E201-H203 VanDerWaalsContact C-N 3.33Å; E201-H203 PolarHBondContact O-N 3.09Å; E201-L204 PolarHBondContact O-N 3.33Å; E201-I205 HydrophobicContact CG-CD1 4.15Å; E201-I205 WeakPolarHBondContact O-CG1 3.46Å; E201-I205 PolarHBondContact O-N 3.35Å; E201-H211 IonicContact OE1-CE1 2.8Å; E201-H211 PolarHBondContact OE1-CE1 3.21Å; E201-H211 IonicContact OE1-ND1 3.56Å; E201-I214 HydrophobicContact CG-CG2 3.98Å
202	Q	96.3	Very high	96.5	Very high	110 Å²	110	41.9 Å²	41.9	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-37.9	177.7	-73.5	173.1	-11.9	0	0	112.4	R198 M199 I205 A206	R198-Q202 WeakPolarHBondContact O-CG 3.28Å; R198-Q202 PolarHBondContact O-N 2.85Å; M199-Q202 WeakPolarHBondContact O-CB 3.4Å; M199-Q202 PolarHBondContact O-N 2.98Å; Q202-I205 PolarHBondContact O-N 2.83Å; Q202-A206 VanDerWaalsContact O-CB 3.22Å; Q202-A206 WeakPolarHBondContact O-CB 3.37Å; Q202-A206 PolarHBondContact O-N 3.46Å
203	H	97.8	Very high	96.4	Very high	64 Å²	64	43.8 Å²	43.8	30%	0.296	23%	0.226	S	C	.	.	H	α-helix	trans	-64.1	-41.8	174.7	-65.1	160.4	0	0	0	112	G172 M199 A200 E201 A206 M207	G172-H203 WeakPolarHBondContact O-CB 3.33Å; G172-H203 PolarHBondContact O-ND1 3.17Å; M199-H203 VanDerWaalsContact O-CG 3.28Å; M199-H203 PolarHBondContact O-N 3.22Å; A200-H203 PolarHBondContact O-N 2.81Å; E201-H203 VanDerWaalsContact C-N 3.33Å; E201-H203 PolarHBondContact O-N 3.09Å; H203-A206 PolarHBondContact O-N 2.98Å; H203-M207 HydrophobicContact CB-CE 4.4Å; H203-M207 WeakPolarHBondContact O-CB 3.47Å; H203-M207 WeakPolarHBondContact O-CE 3.36Å; H203-M207 VanDerWaalsContact O-CG 3.28Å; H203-M207 WeakPolarHBondContact O-CG 3.34Å; H203-M207 PolarHBondContact O-N 3.06Å
204	L	97.8	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-47.7	175.2	-71.1	169.2	0	0	0	111.2	H193 C195 A200 E201 A206 M207 C208 E209 I214	H193-L204 HydrophobicContact CB-CD1 3.89Å; C195-L204 HydrophobicContact CB-CD1 3.9Å; A200-L204 WeakPolarHBondContact O-CG 3.22Å; A200-L204 PolarHBondContact O-N 3.07Å; E201-L204 PolarHBondContact O-N 3.33Å; L204-A206 PolarHBondContact O-N 3.08Å; L204-M207 HydrophobicContact CD2-CE 4.08Å; L204-M207 CarbonylContact O-C 3.57Å; L204-M207 WeakPolarHBondContact O-CA 3.29Å; L204-M207 PolarHBondContact O-N 3.21Å; L204-M207 VanDerWaalsContact O-N 3.17Å; L204-C208 PolarHBondContact O-N 3.5Å; L204-E209 HydrophobicContact CB-CB 4.25Å; L204-E209 HydrophobicContact CB-CG 4.2Å; L204-E209 HydrophobicContact CD2-CG 4.15Å; L204-E209 VanDerWaalsContact O-CB 3.32Å; L204-E209 WeakPolarHBondContact O-CB 3.25Å; L204-E209 WeakPolarHBondContact O-CG 3.07Å; L204-E209 PolarHBondContact O-N 2.86Å; L204-I214 HydrophobicContact CB-CD1 3.77Å; L204-I214 HydrophobicContact CD1-CG2 4.12Å
205	I	95.4	Very high	96.4	Very high	67 Å²	67	45.7 Å²	45.7	34%	0.344	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-44.2	176.6	-63.7	166.3	0	0	0	110.9	E201 Q202 M207 C208 I214	E201-I205 HydrophobicContact CG-CD1 4.15Å; E201-I205 WeakPolarHBondContact O-CG1 3.46Å; E201-I205 PolarHBondContact O-N 3.35Å; Q202-I205 PolarHBondContact O-N 2.83Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 2.75Å; I205-C208 WeakPolarHBondContact O-CA 3.04Å; I205-C208 PolarHBondContact O-N 2.71Å; I205-I214 HydrophobicContact CG1-CD1 3.75Å
206	A	93.8	Very high	96.4	Very high	77 Å²	77	48.7 Å²	48.7	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-64.2	-32.7	177.7	0	0	0	0	0	112.2	Q202 H203 L204 C208	Q202-A206 VanDerWaalsContact O-CB 3.22Å; Q202-A206 WeakPolarHBondContact O-CB 3.37Å; Q202-A206 PolarHBondContact O-N 3.46Å; H203-A206 PolarHBondContact O-N 2.98Å; L204-A206 PolarHBondContact O-N 3.08Å; A206-C208 PolarHBondContact O-N 3.05Å
207	M	96.1	Very high	96.4	Very high	46 Å²	46	48.5 Å²	48.5	23%	0.227	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	15.3	169.6	-68.3	-174.9	-68.4	0	0	112.9	H184 K188 H203 L204 I205 E209	H184-M207 HydrophobicContact CB-SD 3.83Å; H184-M207 VanDerWaalsContact CG-SD 3.52Å; H184-M207 WeakPolarHBondContact ND1-CE 3.23Å; K188-M207 WeakPolarHBondContact CE-O 3.14Å; K188-M207 PolarHBondContact NZ-O 2.83Å; H203-M207 HydrophobicContact CB-CE 4.4Å; H203-M207 WeakPolarHBondContact O-CB 3.47Å; H203-M207 WeakPolarHBondContact O-CE 3.36Å; H203-M207 VanDerWaalsContact O-CG 3.28Å; H203-M207 WeakPolarHBondContact O-CG 3.34Å; H203-M207 PolarHBondContact O-N 3.06Å; L204-M207 HydrophobicContact CD2-CE 4.08Å; L204-M207 CarbonylContact O-C 3.57Å; L204-M207 WeakPolarHBondContact O-CA 3.29Å; L204-M207 PolarHBondContact O-N 3.21Å; L204-M207 VanDerWaalsContact O-N 3.17Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 2.75Å; M207-E209 VanDerWaalsContact C-N 3.35Å; M207-E209 PolarHBondContact O-N 2.67Å
208	C	96	Very high	96.4	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.068	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	31.2	171.2	-49.1	0	0	0	0	113.5	L204 I205 A206 F424 C425 F426	L204-C208 PolarHBondContact O-N 3.5Å; I205-C208 WeakPolarHBondContact O-CA 3.04Å; I205-C208 PolarHBondContact O-N 2.71Å; A206-C208 PolarHBondContact O-N 3.05Å; C208-F424 HydrophobicContact CB-CB 4.35Å; C208-F424 CarbonylContact O-C 3.51Å; C208-F424 VanDerWaalsContact O-CA 3.24Å; C208-F424 WeakPolarHBondContact O-CA 3.48Å; C208-C425 WeakPolarHBondContact CA-O 3.18Å; C208-C425 WeakPolarHBondContact CB-O 3.42Å; C208-C425 PolarHBondContact O-N 3.3Å; C208-F426 HydrophobicContact CB-CB 4.48Å; C208-F426 HydrophobicContact CB-CD1 3.75Å; C208-F426 HydrophobicContact CB-CD2 4.35Å; C208-F426 HydrophobicContact CB-CE1 3.93Å; C208-F426 HydrophobicContact CB-CG 3.95Å; C208-F426 HydrophobicContact CB-CZ 4.33Å; C208-F426 WeakPolarHBondContact SG-CD1 3.31Å; C208-F426 VanDerWaalsContact SG-CE1 3.59Å
209	E	96.9	Very high	96.5	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.023	22%	0.224	C	C	.	.			trans	-78.9	144.9	166.8	-60.5	-58.6	163.8	0	0	110.9	K188 H193 L204 M207 H211 I214 K422	K188-E209 IonicContact NZ-OE1 3.81Å; K188-E209 PolarHBondContact NZ-OE1 2.72Å; H193-E209 IonicContact NE2-OE2 3.71Å; H193-E209 PolarHBondContact NE2-OE2 3.49Å; L204-E209 HydrophobicContact CB-CB 4.25Å; L204-E209 HydrophobicContact CB-CG 4.2Å; L204-E209 HydrophobicContact CD2-CG 4.15Å; L204-E209 VanDerWaalsContact O-CB 3.32Å; L204-E209 WeakPolarHBondContact O-CB 3.25Å; L204-E209 WeakPolarHBondContact O-CG 3.07Å; L204-E209 PolarHBondContact O-N 2.86Å; M207-E209 VanDerWaalsContact C-N 3.35Å; M207-E209 PolarHBondContact O-N 2.67Å; E209-H211 PolarHBondContact O-N 3.43Å; E209-I214 HydrophobicContact CB-CD1 3.95Å; E209-I214 HydrophobicContact CB-CG1 4.48Å; E209-K422 IonicContact OE1-NZ 3.69Å; E209-K422 PolarHBondContact OE1-NZ 3.49Å; E209-K422 VanDerWaalsContact OE1-NZ 3.1Å; E209-K422 WeakPolarHBondContact OE2-CE 3.36Å; E209-K422 IonicContact OE2-NZ 3.58Å; E209-K422 PolarHBondContact OE2-NZ 3.23Å
210	D	94.1	Very high	96.6	Very high	44 Å²	44	38 Å²	38	24%	0.235	21%	0.208	C	C	.	.			trans	-67	117.3	177.6	-178.3	-9.4	0	0	0	110.6	S212 R213 I214 C425	D210-S212 PolarHBondContact O-N 3.15Å; D210-S212 WeakPolarHBondContact OD1-CB 3.43Å; D210-S212 PolarHBondContact OD1-N 3.24Å; D210-S212 PolarHBondContact OD1-OG 3.06Å; D210-S212 PolarHBondContact OD2-OG 3.33Å; D210-R213 HydrophobicContact CB-CB 4.43Å; D210-R213 HydrophobicContact CB-CG 4.3Å; D210-R213 PolarHBondContact O-N 3.17Å; D210-R213 IonicContact OD2-NE 2.65Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-C425 VanDerWaalsContact CA-SG 3.58Å; D210-C425 VanDerWaalsContact CB-SG 3.59Å
211	H	93.1	Very high	96.5	Very high	106 Å²	106	37.9 Å²	37.9	49%	0.491	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-57.4	-32.2	-179.6	-176.9	56.7	0	0	0	113.1	E201 E209 R213 I214	E201-H211 IonicContact OE1-CE1 2.8Å; E201-H211 PolarHBondContact OE1-CE1 3.21Å; E201-H211 IonicContact OE1-ND1 3.56Å; E209-H211 PolarHBondContact O-N 3.43Å; H211-R213 PolarHBondContact O-N 3.45Å; H211-I214 PolarHBondContact O-N 3.33Å
212	S	93.4	Very high	96.4	Very high	87 Å²	87	37.5 Å²	37.5	61%	0.608	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-66.3	-19.5	178.3	72.7	0	0	0	0	113.2	D210	D210-S212 PolarHBondContact O-N 3.15Å; D210-S212 WeakPolarHBondContact OD1-CB 3.43Å; D210-S212 PolarHBondContact OD1-N 3.24Å; D210-S212 PolarHBondContact OD1-OG 3.06Å; D210-S212 PolarHBondContact OD2-OG 3.33Å
213	R	95.8	Very high	96.4	Very high	48 Å²	48	33.5 Å²	33.5	18%	0.181	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-103.1	9	-179.6	-60.4	-179.7	174.8	-81.7	-8.8	112.9	H191 Y192 H193 D210 H211 E418	H191-R213 VanDerWaalsContact O-CD 3.32Å; H191-R213 WeakPolarHBondContact O-CD 3.3Å; Y192-R213 HydrophobicContact CD1-CB 4.14Å; Y192-R213 HydrophobicContact CD1-CG 4.29Å; Y192-R213 HydrophobicContact CE1-CG 4.29Å; Y192-R213 PolarHBondContact OH-NH1 2.83Å; H193-R213 PolarHBondContact N-O 2.89Å; D210-R213 HydrophobicContact CB-CB 4.43Å; D210-R213 HydrophobicContact CB-CG 4.3Å; D210-R213 PolarHBondContact O-N 3.17Å; D210-R213 IonicContact OD2-NE 2.65Å; H211-R213 PolarHBondContact O-N 3.45Å; R213-E418 IonicContact CZ-OE2 2.97Å; R213-E418 IonicContact NH1-OE2 3.86Å; R213-E418 IonicContact NH2-OE2 2.75Å; R213-E418 PolarHBondContact NH2-OE2 3.16Å
214	I	97.8	Very high	96.2	Very high	15 Å²	15	33 Å²	33	8%	0.077	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.6	178.2	-57	167.9	0	0	0	110.2	H193 E201 L204 I205 E209 D210 H211	H193-I214 HydrophobicContact CB-CB 4.5Å; H193-I214 HydrophobicContact CB-CG1 4.14Å; H193-I214 HydrophobicContact CB-CG2 4.41Å; E201-I214 HydrophobicContact CG-CG2 3.98Å; L204-I214 HydrophobicContact CB-CD1 3.77Å; L204-I214 HydrophobicContact CD1-CG2 4.12Å; I205-I214 HydrophobicContact CG1-CD1 3.75Å; E209-I214 HydrophobicContact CB-CD1 3.95Å; E209-I214 HydrophobicContact CB-CG1 4.48Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; H211-I214 PolarHBondContact O-N 3.33Å
215	L	98.6	Very high	95.9	Very high	31 Å²	31	33 Å²	33	16%	0.162	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	169.7	178.2	69.9	0	0	0	109.8	H193 A194 C195 A217 R406 I407 F410	H193-L215 PolarHBondContact O-N 3.36Å; A194-L215 CarbonylContact C-O 3.54Å; A194-L215 WeakPolarHBondContact CA-O 3.43Å; A194-L215 HydrophobicContact CB-CB 4.49Å; A194-L215 HydrophobicContact CB-CD2 4.43Å; C195-L215 PolarHBondContact N-O 3.41Å; C195-L215 PolarHBondContact SG-O 3.25Å; C195-L215 VanDerWaalsContact SG-O 3.42Å; L215-A217 HydrophobicContact CD2-CB 3.83Å; L215-A217 HydrophobicContact CG-CB 4.02Å; L215-A217 PolarHBondContact O-N 2.89Å; L215-R406 HydrophobicContact CD1-CB 4.43Å; L215-R406 HydrophobicContact CD2-CB 4.21Å; L215-I407 HydrophobicContact CD2-CG1 3.93Å; L215-F410 HydrophobicContact CB-CD1 4.04Å; L215-F410 HydrophobicContact CB-CD2 4.4Å; L215-F410 HydrophobicContact CB-CE1 4.13Å; L215-F410 HydrophobicContact CB-CG 4.16Å; L215-F410 HydrophobicContact CB-CZ 4.38Å; L215-F410 HydrophobicContact CD1-CB 4.49Å; L215-F410 HydrophobicContact CD2-CB 3.75Å; L215-F410 HydrophobicContact CD2-CD1 4.07Å; L215-F410 HydrophobicContact CD2-CG 4.01Å; L215-F410 HydrophobicContact CG-CG 4.49Å
216	L	98.5	Very high	95.5	Very high	63 Å²	63	32.7 Å²	32.7	33%	0.33	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	92.2	161.3	178	57.6	0	0	0	108.7	T197	T197-L216 VanDerWaalsContact C-CD1 3.44Å; T197-L216 WeakPolarHBondContact O-CD1 3.47Å
217	A	97.9	Very high	95.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.182	C	C	.	.			trans	-90.4	-37.5	-174.9	0	0	0	0	0	112.5	A194 C195 L215 A403 R406 I407	A194-A217 HydrophobicContact CB-CB 4.33Å; C195-A217 PolarHBondContact O-N 3.17Å; L215-A217 HydrophobicContact CD2-CB 3.83Å; L215-A217 HydrophobicContact CG-CB 4.02Å; L215-A217 PolarHBondContact O-N 2.89Å; A217-A403 HydrophobicContact CB-CB 4.32Å; A217-A403 WeakPolarHBondContact O-CA 3.47Å; A217-R406 PolarHBondContact O-NH1 3.43Å; A217-I407 HydrophobicContact CB-CD1 4.15Å; A217-I407 HydrophobicContact CB-CG1 3.91Å
218	G	98	Very high	94.2	Very high	6 Å²	6	31.9 Å²	31.9	6%	0.062	18%	0.177	C	C	.	.			trans	88.5	161.7	-153.7	0	0	0	0	0	111	C195 A403	C195-G218 PolarHBondContact O-N 3.29Å; G218-A403 VanDerWaalsContact O-CB 3.26Å; G218-A403 WeakPolarHBondContact O-CB 3.45Å
219	C	97.9	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.			trans	-77.2	126.5	179.2	-175.2	0	0	0	0	110	C196 S221 Y222 Y398	C196-C219 HydrophobicContact CB-CB 4.06Å; C196-C219 VanDerWaalsContact SG-CA 3.53Å; C196-C219 VanDerWaalsContact SG-CB 3.58Å; C219-S221 PolarHBondContact O-N 2.98Å; C219-S221 PolarHBondContact SG-OG 2.96Å; C219-Y222 HydrophobicContact CB-CD2 4.13Å; C219-Y222 WeakPolarHBondContact O-CB 3.32Å; C219-Y222 PolarHBondContact O-N 3.47Å; C219-Y398 VanDerWaalsContact CB-O 3.27Å; C219-Y398 WeakPolarHBondContact CB-O 3.4Å; C219-Y398 PolarHBondContact N-O 3.47Å
220	P	97.6	Very high	91.4	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.045	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.5	178.6	-23.7	31.9	0	0	0	114.8	K60 P63 I64 Y222 D223 A403 V404 I407	K60-P220 WeakPolarHBondContact O-CB 3.24Å; P63-P220 HydrophobicContact CB-CB 4.21Å; P63-P220 HydrophobicContact CG-CB 4.33Å; I64-P220 HydrophobicContact CD1-CB 4.42Å; I64-P220 HydrophobicContact CD1-CG 3.78Å; I64-P220 HydrophobicContact CG1-CB 4.25Å; I64-P220 HydrophobicContact CG1-CG 4.07Å; P220-Y222 PolarHBondContact O-N 3.04Å; P220-D223 WeakPolarHBondContact O-CB 3.2Å; P220-D223 PolarHBondContact O-N 3.45Å; P220-A403 HydrophobicContact CG-CB 4.39Å; P220-V404 HydrophobicContact CB-CG2 4.46Å; P220-I407 HydrophobicContact CG-CD1 4.01Å
221	S	96.1	Very high	90.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-30.6	172.1	65.3	0	0	0	0	111.8	C219 D223 K224 L225 E344	C219-S221 PolarHBondContact O-N 2.98Å; C219-S221 PolarHBondContact SG-OG 2.96Å; S221-D223 VanDerWaalsContact C-N 3.31Å; S221-D223 PolarHBondContact O-N 3Å; S221-K224 PolarHBondContact O-N 2.91Å; S221-K224 VanDerWaalsContact O-N 3.14Å; S221-L225 VanDerWaalsContact O-CG 3.27Å; S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.05Å; S221-E344 PolarHBondContact OG-OE1 3.26Å
222	Y	96.4	Very high	90.3	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-29	179	-89.2	-109	0	0	0	113.6	C219 P220 K224 L225 L226 R343 A347 Y398 G399	C219-Y222 HydrophobicContact CB-CD2 4.13Å; C219-Y222 WeakPolarHBondContact O-CB 3.32Å; C219-Y222 PolarHBondContact O-N 3.47Å; P220-Y222 PolarHBondContact O-N 3.04Å; Y222-K224 PolarHBondContact O-N 2.72Å; Y222-L225 HydrophobicContact CD2-CD1 3.77Å; Y222-L225 HydrophobicContact CE2-CD1 3.94Å; Y222-L225 HydrophobicContact CG-CD1 4.15Å; Y222-L225 PolarHBondContact O-N 3.42Å; Y222-L226 HydrophobicContact CD1-CD1 4.14Å; Y222-L226 HydrophobicContact CD1-CD2 4.49Å; Y222-L226 HydrophobicContact CD1-CG 4.16Å; Y222-L226 WeakPolarHBondContact O-CB 3.28Å; Y222-L226 WeakPolarHBondContact O-CG 3.44Å; Y222-L226 PolarHBondContact O-N 3.03Å; Y222-R343 WeakPolarHBondContact CE2-O 3.41Å; Y222-R343 PolarHBondContact OH-O 3.25Å; Y222-A347 HydrophobicContact CE1-CB 3.93Å; Y222-Y398 VanDerWaalsContact CE2-CB 3.46Å; Y222-G399 WeakPolarHBondContact CD1-O 3.45Å
223	D	95.6	Very high	90.2	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.134	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-36.9	173.6	-64.9	-142.8	0	0	0	110.2	P220 S221 S227 A403 V404	P220-D223 WeakPolarHBondContact O-CB 3.2Å; P220-D223 PolarHBondContact O-N 3.45Å; S221-D223 VanDerWaalsContact C-N 3.31Å; S221-D223 PolarHBondContact O-N 3Å; D223-S227 WeakPolarHBondContact O-CB 3.35Å; D223-S227 PolarHBondContact O-OG 3.21Å; D223-A403 PolarHBondContact OD1-N 3.06Å; D223-A403 VanDerWaalsContact OD1-N 3.11Å; D223-A403 VanDerWaalsContact OD2-CB 3.27Å; D223-A403 WeakPolarHBondContact OD2-CB 3.26Å; D223-A403 PolarHBondContact OD2-N 3.46Å; D223-V404 WeakPolarHBondContact OD1-CB 3.33Å; D223-V404 WeakPolarHBondContact OD1-CG2 3.41Å; D223-V404 PolarHBondContact OD1-N 3.48Å
224	K	92.7	Very high	90.1	Very high	54 Å²	54	46.2 Å²	46.2	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-79.7	-50	171.2	-73.8	-70.7	-170.3	166.5	0	112.3	P63 S221 Y222 L226 S227 T228 F321 E322 I325	P63-K224 HydrophobicContact CG-CG 4.12Å; S221-K224 PolarHBondContact O-N 2.91Å; S221-K224 VanDerWaalsContact O-N 3.14Å; Y222-K224 PolarHBondContact O-N 2.72Å; K224-L226 VanDerWaalsContact C-N 3.29Å; K224-L226 PolarHBondContact O-N 2.95Å; K224-S227 WeakPolarHBondContact CA-OG 3.33Å; K224-S227 PolarHBondContact O-N 3.36Å; K224-S227 VanDerWaalsContact O-N 3.12Å; K224-S227 PolarHBondContact O-OG 3.42Å; K224-S227 VanDerWaalsContact O-OG 3.07Å; K224-T228 HydrophobicContact CD-CG2 4.47Å; K224-T228 PolarHBondContact O-N 2.96Å; K224-T228 PolarHBondContact O-OG1 3.18Å; K224-F321 HydrophobicContact CB-CE1 4.11Å; K224-E322 IonicContact NZ-OE1 3.91Å; K224-E322 PolarHBondContact NZ-OE1 2.92Å; K224-I325 HydrophobicContact CB-CD1 4.15Å
225	L	91.9	Very high	90	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-53.6	-45.1	-176.5	-65.4	165.5	0	0	0	112.3	S221 Y222 Y229 I325 E344 F348	S221-L225 VanDerWaalsContact O-CG 3.27Å; S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.05Å; Y222-L225 HydrophobicContact CD2-CD1 3.77Å; Y222-L225 HydrophobicContact CE2-CD1 3.94Å; Y222-L225 HydrophobicContact CG-CD1 4.15Å; Y222-L225 PolarHBondContact O-N 3.42Å; L225-Y229 WeakPolarHBondContact O-CB 3.46Å; L225-Y229 PolarHBondContact O-N 2.66Å; L225-I325 HydrophobicContact CD2-CB 4.41Å; L225-I325 HydrophobicContact CD2-CD1 3.89Å; L225-I325 HydrophobicContact CD2-CG1 3.67Å; L225-I325 HydrophobicContact CD2-CG2 4.03Å; L225-I325 HydrophobicContact CG-CD1 4.46Å; L225-E344 HydrophobicContact CD1-CB 3.83Å; L225-E344 HydrophobicContact CD1-CG 3.94Å; L225-E344 HydrophobicContact CD2-CB 4.5Å; L225-F348 HydrophobicContact CB-CE1 4.35Å; L225-F348 HydrophobicContact CB-CZ 3.93Å; L225-F348 HydrophobicContact CD2-CE2 3.68Å; L225-F348 HydrophobicContact CD2-CZ 3.38Å; L225-F348 HydrophobicContact CG-CZ 4.21Å
226	L	88.2	Confident	89.8	Confident	60 Å²	60	51 Å²	51	31%	0.314	26%	0.257	S	S	.	.	H	α-helix	trans	-80.5	-22.6	-176.7	-61.4	-177.1	0	0	0	113.4	Y222 K224	Y222-L226 HydrophobicContact CD1-CD1 4.14Å; Y222-L226 HydrophobicContact CD1-CD2 4.49Å; Y222-L226 HydrophobicContact CD1-CG 4.16Å; Y222-L226 WeakPolarHBondContact O-CB 3.28Å; Y222-L226 WeakPolarHBondContact O-CG 3.44Å; Y222-L226 PolarHBondContact O-N 3.03Å; K224-L226 VanDerWaalsContact C-N 3.29Å; K224-L226 PolarHBondContact O-N 2.95Å
227	S	85.1	Confident	89.7	Confident	87 Å²	87	48.6 Å²	48.6	61%	0.608	24%	0.244	S	C	*	.	H	α-helix	trans	-87.2	-28.8	176.2	58.5	0	0	0	0	113.1	D223 K224	D223-S227 WeakPolarHBondContact O-CB 3.35Å; D223-S227 PolarHBondContact O-OG 3.21Å; K224-S227 WeakPolarHBondContact CA-OG 3.33Å; K224-S227 PolarHBondContact O-N 3.36Å; K224-S227 VanDerWaalsContact O-N 3.12Å; K224-S227 PolarHBondContact O-OG 3.42Å; K224-S227 VanDerWaalsContact O-OG 3.07Å
228	T	75.9	Confident	89.6	Confident	19 Å²	19	48.5 Å²	48.5	12%	0.117	24%	0.244	C	C	.	.	S	Bend	trans	-105.6	7.1	-175.1	65.1	0	0	0	0	114.3	K224 H230 Q326	K224-T228 HydrophobicContact CD-CG2 4.47Å; K224-T228 PolarHBondContact O-N 2.96Å; K224-T228 PolarHBondContact O-OG1 3.18Å; T228-H230 PolarHBondContact O-N 3.29Å; T228-H230 VanDerWaalsContact O-N 3.07Å; T228-Q326 PolarHBondContact O-NE2 3.5Å
229	Y	65.4	Low	89.6	Confident	83 Å²	83	51.6 Å²	51.6	33%	0.325	26%	0.255	S	S	.	.	S	Bend	trans	-58.9	-22.5	-174.7	179.6	-127.1	0	0	0	114.6	L225 F348	L225-Y229 WeakPolarHBondContact O-CB 3.46Å; L225-Y229 PolarHBondContact O-N 2.66Å; Y229-F348 AromaticContact CD2-CD1 3.06Å; Y229-F348 HydrophobicContact CD2-CD1 3.06Å; Y229-F348 AromaticContact CD2-CE1 3.25Å; Y229-F348 HydrophobicContact CD2-CE1 3.25Å; Y229-F348 HydrophobicContact CD2-CG 4.02Å; Y229-F348 HydrophobicContact CD2-CZ 4.3Å; Y229-F348 HydrophobicContact CE2-CB 3.91Å; Y229-F348 AromaticContact CE2-CD1 3.17Å; Y229-F348 HydrophobicContact CE2-CD1 3.17Å; Y229-F348 AromaticContact CE2-CE1 3.89Å; Y229-F348 HydrophobicContact CE2-CE1 3.89Å; Y229-F348 AromaticContact CE2-CG 3.79Å; Y229-F348 HydrophobicContact CE2-CG 3.79Å; Y229-F348 HydrophobicContact CG-CD1 4.03Å; Y229-F348 AromaticContact CG-CE1 3.98Å; Y229-F348 HydrophobicContact CG-CE1 3.98Å
230	H	68.7	Low	89.5	Confident	146 Å²	146	55.1 Å²	55.1	68%	0.676	28%	0.28	S	S	*	.			trans	-127.3	80.3	-179	-66.7	-52.7	0	0	0	111.2	T228	T228-H230 PolarHBondContact O-N 3.29Å; T228-H230 VanDerWaalsContact O-N 3.07Å
231	R	80.5	Confident	89.5	Confident	82 Å²	82	56.9 Å²	56.9	31%	0.309	29%	0.286	S	S	.	.			trans	-88.2	134.5	166.2	-66.5	-176.5	61.9	117.2	1.7	109.9	D233 Y234 E322	R231-D233 VanDerWaalsContact CB-OD1 3.26Å; R231-D233 WeakPolarHBondContact CB-OD1 3.44Å; R231-D233 IonicContact CZ-OD1 2.66Å; R231-D233 IonicContact CZ-OD2 2.63Å; R231-D233 IonicContact NE-OD1 2.6Å; R231-D233 PolarHBondContact NE-OD1 2.86Å; R231-D233 IonicContact NE-OD2 3.39Å; R231-D233 IonicContact NH2-OD1 3.56Å; R231-D233 PolarHBondContact NH2-OD1 2.86Å; R231-D233 IonicContact NH2-OD2 3.36Å; R231-D233 PolarHBondContact NH2-OD2 2.86Å; R231-D233 PolarHBondContact O-N 2.91Å; R231-Y234 WeakPolarHBondContact O-CB 3.49Å; R231-Y234 VanDerWaalsContact O-CD1 3.27Å; R231-Y234 WeakPolarHBondContact O-CD1 3.35Å; R231-Y234 PolarHBondContact O-N 2.8Å; R231-E322 IonicContact NH1-OE2 3.39Å; R231-E322 PolarHBondContact NH1-OE2 3.21Å
232	D	84.8	Confident	89.5	Confident	170 Å²	170	57 Å²	57	91%	0.909	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	178.4	-63.8	-35.9	0	0	0	112.8
233	D	90.8	Very high	89.4	Confident	59 Å²	59	58.2 Å²	58.2	32%	0.316	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.3	-178.1	67.8	-9.2	0	0	0	114.3	R231 M235 D236 I237	R231-D233 VanDerWaalsContact CB-OD1 3.26Å; R231-D233 WeakPolarHBondContact CB-OD1 3.44Å; R231-D233 IonicContact CZ-OD1 2.66Å; R231-D233 IonicContact CZ-OD2 2.63Å; R231-D233 IonicContact NE-OD1 2.6Å; R231-D233 PolarHBondContact NE-OD1 2.86Å; R231-D233 IonicContact NE-OD2 3.39Å; R231-D233 IonicContact NH2-OD1 3.56Å; R231-D233 PolarHBondContact NH2-OD1 2.86Å; R231-D233 IonicContact NH2-OD2 3.36Å; R231-D233 PolarHBondContact NH2-OD2 2.86Å; R231-D233 PolarHBondContact O-N 2.91Å; D233-M235 VanDerWaalsContact C-N 3.25Å; D233-M235 PolarHBondContact O-N 2.89Å; D233-M235 VanDerWaalsContact O-N 3.14Å; D233-D236 PolarHBondContact O-N 3.15Å; D233-I237 PolarHBondContact O-N 3.4Å; D233-I237 VanDerWaalsContact O-N 3.12Å
234	Y	93.4	Very high	89.2	Confident	61 Å²	61	63.5 Å²	63.5	24%	0.239	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-36.6	-173.4	77.8	-85.4	0	0	0	113.6	R231 D236 I237 I238 E248 H330	R231-Y234 WeakPolarHBondContact O-CB 3.49Å; R231-Y234 VanDerWaalsContact O-CD1 3.27Å; R231-Y234 WeakPolarHBondContact O-CD1 3.35Å; R231-Y234 PolarHBondContact O-N 2.8Å; Y234-D236 VanDerWaalsContact C-N 3.35Å; Y234-D236 PolarHBondContact O-N 2.78Å; Y234-I237 WeakPolarHBondContact O-CB 3.39Å; Y234-I237 PolarHBondContact O-N 3.05Å; Y234-I238 HydrophobicContact CD2-CD1 3.95Å; Y234-I238 HydrophobicContact CE2-CD1 4.4Å; Y234-I238 WeakPolarHBondContact O-CG1 3.43Å; Y234-I238 PolarHBondContact O-N 3.49Å; Y234-E248 HydrophobicContact CE2-CB 4.36Å; Y234-E248 VanDerWaalsContact CE2-OE2 3.23Å; Y234-E248 WeakPolarHBondContact CE2-OE2 3.05Å; Y234-E248 PolarHBondContact OH-OE2 2.8Å; Y234-H330 AromaticContact CD2-CD2 3.58Å; Y234-H330 AromaticContact CD2-CE1 3.52Å; Y234-H330 AromaticContact CD2-CG 3.8Å; Y234-H330 AromaticContact CD2-ND1 3.75Å; Y234-H330 AromaticContact CD2-NE2 3.44Å; Y234-H330 WeakPolarHBondContact CD2-NE2 3.42Å; Y234-H330 AromaticContact CE2-CE1 3.43Å; Y234-H330 VanDerWaalsContact CE2-CE1 3.43Å; Y234-H330 WeakPolarHBondContact CE2-CE1 3.4Å; Y234-H330 AromaticContact CE2-ND1 3.52Å; Y234-H330 AromaticContact CE2-NE2 3.87Å; Y234-H330 AromaticContact CG-NE2 3.78Å; Y234-H330 AromaticContact CZ-CE1 3.97Å
235	M	95.1	Very high	89.2	Confident	49 Å²	49	70.6 Å²	70.6	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-34.3	176.8	-81	-58.6	-57.1	0	0	112.6	D233 I237 I238 K239 E248	D233-M235 VanDerWaalsContact C-N 3.25Å; D233-M235 PolarHBondContact O-N 2.89Å; D233-M235 VanDerWaalsContact O-N 3.14Å; M235-I237 VanDerWaalsContact C-N 3.34Å; M235-I238 PolarHBondContact O-N 3.48Å; M235-I238 HydrophobicContact SD-CD1 3.95Å; M235-K239 VanDerWaalsContact O-CG 3.25Å; M235-K239 WeakPolarHBondContact O-CG 3.47Å; M235-K239 PolarHBondContact O-N 3.26Å; M235-E248 HydrophobicContact SD-CB 4.29Å
236	D	95.8	Very high	89.4	Confident	98 Å²	98	71.3 Å²	71.3	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-72.9	-33.5	177.4	-65.3	-27.1	0	0	0	110.8	D233 Y234 K239 S240	D233-D236 PolarHBondContact O-N 3.15Å; Y234-D236 VanDerWaalsContact C-N 3.35Å; Y234-D236 PolarHBondContact O-N 2.78Å; D236-K239 PolarHBondContact O-N 2.98Å; D236-K239 IonicContact OD1-NZ 2.68Å; D236-K239 PolarHBondContact OD1-NZ 2.99Å; D236-S240 WeakPolarHBondContact O-CB 3.33Å; D236-S240 PolarHBondContact O-N 2.91Å
237	I	95.7	Very high	89.7	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-51.2	168.3	-64.5	167.7	0	0	0	110	D233 Y234 M235 K239 S240 W241 Q323 Q326 L327	D233-I237 PolarHBondContact O-N 3.4Å; D233-I237 VanDerWaalsContact O-N 3.12Å; Y234-I237 WeakPolarHBondContact O-CB 3.39Å; Y234-I237 PolarHBondContact O-N 3.05Å; M235-I237 VanDerWaalsContact C-N 3.34Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.11Å; I237-S240 PolarHBondContact O-N 3.36Å; I237-S240 PolarHBondContact O-OG 2.89Å; I237-W241 VanDerWaalsContact O-CD1 3.27Å; I237-W241 PolarHBondContact O-N 3.37Å; I237-Q323 HydrophobicContact CD1-CG 4.3Å; I237-Q323 HydrophobicContact CG1-CG 4.45Å; I237-Q323 HydrophobicContact CG2-CB 3.85Å; I237-Q323 HydrophobicContact CG2-CG 4.23Å; I237-Q326 HydrophobicContact CD1-CB 4.32Å; I237-Q326 HydrophobicContact CD1-CG 3.77Å; I237-Q326 HydrophobicContact CG2-CB 4.39Å; I237-L327 HydrophobicContact CG2-CG 4.24Å
238	I	96.7	Very high	90.1	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-54.9	-49	177.4	-69	166.5	0	0	0	110.8	Y234 M235 S240 W241 L242 V246 E248 Y251 L327 H330	Y234-I238 HydrophobicContact CD2-CD1 3.95Å; Y234-I238 HydrophobicContact CE2-CD1 4.4Å; Y234-I238 WeakPolarHBondContact O-CG1 3.43Å; Y234-I238 PolarHBondContact O-N 3.49Å; M235-I238 PolarHBondContact O-N 3.48Å; M235-I238 HydrophobicContact SD-CD1 3.95Å; I238-S240 PolarHBondContact O-N 3.21Å; I238-W241 PolarHBondContact O-N 3.23Å; I238-L242 HydrophobicContact CG2-CD1 4.1Å; I238-L242 WeakPolarHBondContact O-CB 3.27Å; I238-L242 PolarHBondContact O-N 3.18Å; I238-V246 HydrophobicContact CG2-CB 4.29Å; I238-V246 HydrophobicContact CG2-CG1 3.93Å; I238-E248 HydrophobicContact CD1-CB 4.45Å; I238-Y251 HydrophobicContact CD1-CE1 4.11Å; I238-Y251 HydrophobicContact CG1-CE1 4.25Å; I238-Y251 HydrophobicContact CG2-CE1 4.12Å; I238-L327 HydrophobicContact CG1-CD2 4.2Å; I238-H330 HydrophobicContact CD1-CB 3.85Å
239	K	96.6	Very high	91.1	Very high	70 Å²	70	76.6 Å²	76.6	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-39.5	179.5	-67	170.2	-162.3	155.7	0	112.5	M235 D236 I237 W241 G243	M235-K239 VanDerWaalsContact O-CG 3.25Å; M235-K239 WeakPolarHBondContact O-CG 3.47Å; M235-K239 PolarHBondContact O-N 3.26Å; D236-K239 PolarHBondContact O-N 2.98Å; D236-K239 IonicContact OD1-NZ 2.68Å; D236-K239 PolarHBondContact OD1-NZ 2.99Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.11Å; K239-W241 VanDerWaalsContact C-N 3.27Å; K239-W241 PolarHBondContact O-N 2.99Å; K239-G243 WeakPolarHBondContact O-CA 3.31Å; K239-G243 PolarHBondContact O-N 3.29Å
240	S	96.7	Very high	92.6	Very high	75 Å²	75	75.7 Å²	75.7	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-35	-179.7	74.9	0	0	0	0	112.7	D236 I237 I238	D236-S240 WeakPolarHBondContact O-CB 3.33Å; D236-S240 PolarHBondContact O-N 2.91Å; I237-S240 PolarHBondContact O-N 3.36Å; I237-S240 PolarHBondContact O-OG 2.89Å; I238-S240 PolarHBondContact O-N 3.21Å
241	W	97.1	Very high	94	Very high	44 Å²	44	68.7 Å²	68.7	17%	0.167	34%	0.343	C	S	.	.	H	α-helix	trans	-92	-39	-179	-70.9	103.6	0	0	0	113.3	I237 I238 K239 R314 V316 I319 L327	I237-W241 VanDerWaalsContact O-CD1 3.27Å; I237-W241 PolarHBondContact O-N 3.37Å; I238-W241 PolarHBondContact O-N 3.23Å; K239-W241 VanDerWaalsContact C-N 3.27Å; K239-W241 PolarHBondContact O-N 2.99Å; W241-R314 WeakPolarHBondContact O-CD 3.45Å; W241-R314 WeakPolarHBondContact O-CG 3.22Å; W241-V316 HydrophobicContact CE3-CG1 3.97Å; W241-V316 HydrophobicContact CZ3-CB 4.34Å; W241-V316 HydrophobicContact CZ3-CG1 3.82Å; W241-I319 HydrophobicContact CD2-CD1 4.36Å; W241-I319 HydrophobicContact CD2-CG1 4.43Å; W241-I319 HydrophobicContact CE3-CD1 4.36Å; W241-I319 HydrophobicContact CE3-CG1 4.25Å; W241-I319 HydrophobicContact CH2-CB 4.49Å; W241-I319 HydrophobicContact CH2-CG1 4.08Å; W241-I319 HydrophobicContact CH2-CG2 4.45Å; W241-I319 HydrophobicContact CZ2-CB 4.34Å; W241-I319 HydrophobicContact CZ2-CG1 4.27Å; W241-I319 HydrophobicContact CZ2-CG2 3.84Å; W241-I319 HydrophobicContact CZ3-CG1 4.07Å; W241-L327 HydrophobicContact CB-CD1 4.28Å; W241-L327 HydrophobicContact CB-CD2 4.2Å; W241-L327 HydrophobicContact CG-CD1 3.92Å
242	L	96.6	Very high	94.9	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-111.6	-16.8	-169.8	-70.7	148.4	0	0	0	113.3	I238 V246 Y251 R283 L285 L327	I238-L242 HydrophobicContact CG2-CD1 4.1Å; I238-L242 WeakPolarHBondContact O-CB 3.27Å; I238-L242 PolarHBondContact O-N 3.18Å; L242-V246 HydrophobicContact CB-CB 4.13Å; L242-V246 HydrophobicContact CB-CG1 4.03Å; L242-V246 HydrophobicContact CB-CG2 3.93Å; L242-V246 HydrophobicContact CD1-CG1 4.38Å; L242-V246 WeakPolarHBondContact O-CG2 3.49Å; L242-Y251 HydrophobicContact CD1-CD1 4.06Å; L242-Y251 HydrophobicContact CD1-CD2 3.4Å; L242-Y251 HydrophobicContact CD1-CE1 4.22Å; L242-Y251 HydrophobicContact CD1-CE2 3.58Å; L242-Y251 HydrophobicContact CD1-CG 3.64Å; L242-Y251 HydrophobicContact CD2-CD2 4.29Å; L242-Y251 HydrophobicContact CD2-CG 4.45Å; L242-R283 HydrophobicContact CB-CG 4.29Å; L242-R283 HydrophobicContact CD2-CG 3.67Å; L242-R283 PolarHBondContact O-NE 3.42Å; L242-R283 PolarHBondContact O-NH2 2.86Å; L242-L285 HydrophobicContact CD2-CB 3.8Å; L242-L285 HydrophobicContact CG-CB 4.4Å; L242-L327 HydrophobicContact CD1-CD2 3.84Å
243	G	94.3	Very high	95.6	Very high	28 Å²	28	56.7 Å²	56.7	29%	0.289	29%	0.285	S	S	.	.			trans	103.1	160.3	177.7	0	0	0	0	0	114.4	K239 K245 V246	K239-G243 WeakPolarHBondContact O-CA 3.31Å; K239-G243 PolarHBondContact O-N 3.29Å; G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 2.88Å; G243-K245 VanDerWaalsContact O-N 3.08Å; G243-V246 WeakPolarHBondContact O-CB 3Å; G243-V246 WeakPolarHBondContact O-CG2 3.12Å; G243-V246 PolarHBondContact O-N 2.89Å
244	D	92	Very high	95.9	Very high	136 Å²	136	53.9 Å²	53.9	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.5	-165.3	-61.1	-38.5	0	0	0	116.2
245	K	92.4	Very high	96.2	Very high	203 Å²	203	51.5 Å²	51.5	88%	0.883	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	-175.6	-62.7	-176.3	-178.3	179.1	0	113.4	G243	G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 2.88Å; G243-K245 VanDerWaalsContact O-N 3.08Å
246	V	95.6	Very high	96.3	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-85.4	132.3	-172.2	-178.8	0	0	0	0	109.7	I238 L242 G243 Y251 R283	I238-V246 HydrophobicContact CG2-CB 4.29Å; I238-V246 HydrophobicContact CG2-CG1 3.93Å; L242-V246 HydrophobicContact CB-CB 4.13Å; L242-V246 HydrophobicContact CB-CG1 4.03Å; L242-V246 HydrophobicContact CB-CG2 3.93Å; L242-V246 HydrophobicContact CD1-CG1 4.38Å; L242-V246 WeakPolarHBondContact O-CG2 3.49Å; G243-V246 WeakPolarHBondContact O-CB 3Å; G243-V246 WeakPolarHBondContact O-CG2 3.12Å; G243-V246 PolarHBondContact O-N 2.89Å; V246-Y251 HydrophobicContact CG1-CD1 3.79Å; V246-Y251 HydrophobicContact CG1-CG 4.17Å; V246-R283 HydrophobicContact CG2-CB 4.17Å; V246-R283 HydrophobicContact CG2-CG 3.77Å
247	K	94.9	Very high	96.3	Very high	146 Å²	146	45 Å²	45	64%	0.635	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-103	157.6	178.3	-62.3	-178.1	-178.4	-179.5	0	110.2	D250 Y251	K247-D250 HydrophobicContact CB-CB 4.38Å; K247-D250 PolarHBondContact O-N 3.37Å; K247-Y251 WeakPolarHBondContact O-CD1 3.31Å
248	E	94.2	Very high	96.3	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.36	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	146.4	166.5	64.5	179.4	-173.4	0	0	110.7	Y234 M235 I238 D250 H330	Y234-E248 HydrophobicContact CE2-CB 4.36Å; Y234-E248 VanDerWaalsContact CE2-OE2 3.23Å; Y234-E248 WeakPolarHBondContact CE2-OE2 3.05Å; Y234-E248 PolarHBondContact OH-OE2 2.8Å; M235-E248 HydrophobicContact SD-CB 4.29Å; I238-E248 HydrophobicContact CD1-CB 4.45Å; E248-D250 PolarHBondContact O-N 2.7Å; E248-H330 HydrophobicContact CB-CB 4.12Å; E248-H330 IonicContact OE2-CE1 2.67Å; E248-H330 IonicContact OE2-ND1 3.1Å; E248-H330 PolarHBondContact OE2-ND1 2.96Å
249	N	95.7	Very high	96.1	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	5.8	178.2	-40.5	-26.5	0	0	0	114.4	H330 G332 R391	N249-H330 WeakPolarHBondContact CA-O 3.21Å; N249-H330 PolarHBondContact N-O 2.6Å; N249-H330 PolarHBondContact OD1-O 2.74Å; N249-G332 WeakPolarHBondContact O-CA 3.32Å; N249-R391 PolarHBondContact OD1-NH2 3.42Å
250	D	97.4	Very high	95.7	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	22%	0.223	S	C	.	.	S	Bend	trans	-121.6	36.5	-177.9	-164.3	32.3	0	0	0	113.4	K247 E248 K282 F388	K247-D250 HydrophobicContact CB-CB 4.38Å; K247-D250 PolarHBondContact O-N 3.37Å; E248-D250 PolarHBondContact O-N 2.7Å; D250-K282 IonicContact OD1-NZ 3.35Å; D250-K282 PolarHBondContact OD1-NZ 3.11Å; D250-K282 IonicContact OD2-NZ 3.81Å; D250-F388 WeakPolarHBondContact OD1-CZ 3.4Å
251	Y	98.7	Very high	95.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-148.5	166	171.7	64.7	-86.4	0	0	0	111.3	I238 L242 V246 K247 V253 R283 L327 H330 A331 G332	I238-Y251 HydrophobicContact CD1-CE1 4.11Å; I238-Y251 HydrophobicContact CG1-CE1 4.25Å; I238-Y251 HydrophobicContact CG2-CE1 4.12Å; L242-Y251 HydrophobicContact CD1-CD1 4.06Å; L242-Y251 HydrophobicContact CD1-CD2 3.4Å; L242-Y251 HydrophobicContact CD1-CE1 4.22Å; L242-Y251 HydrophobicContact CD1-CE2 3.58Å; L242-Y251 HydrophobicContact CD1-CG 3.64Å; L242-Y251 HydrophobicContact CD2-CD2 4.29Å; L242-Y251 HydrophobicContact CD2-CG 4.45Å; V246-Y251 HydrophobicContact CG1-CD1 3.79Å; V246-Y251 HydrophobicContact CG1-CG 4.17Å; K247-Y251 WeakPolarHBondContact O-CD1 3.31Å; Y251-V253 HydrophobicContact CD2-CG2 4.29Å; Y251-V253 HydrophobicContact CE2-CG2 3.93Å; Y251-R283 CarbonylContact C-O 3.59Å; Y251-R283 WeakPolarHBondContact CA-O 3.49Å; Y251-R283 VanDerWaalsContact CB-O 3.29Å; Y251-R283 WeakPolarHBondContact CB-O 3.43Å; Y251-L327 HydrophobicContact CE2-CD2 4.49Å; Y251-L327 VanDerWaalsContact CE2-O 3.3Å; Y251-L327 WeakPolarHBondContact CE2-O 3.41Å; Y251-L327 VanDerWaalsContact OH-CA 3.3Å; Y251-L327 WeakPolarHBondContact OH-CA 3.4Å; Y251-L327 PolarHBondContact OH-O 3.5Å; Y251-H330 WeakPolarHBondContact CE1-O 3.33Å; Y251-H330 PolarHBondContact OH-O 3.49Å; Y251-A331 HydrophobicContact CD2-CB 4.46Å; Y251-A331 HydrophobicContact CE2-CB 3.96Å; Y251-G332 WeakPolarHBondContact O-CA 3.46Å; Y251-G332 PolarHBondContact O-N 3.45Å
252	I	98.8	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.6	-179	-60.3	173.3	0	0	0	109.7	L277 F280 K282 R283 T284 L285 C333 I335 L384 F388	I252-L277 HydrophobicContact CD1-CD2 3.64Å; I252-L277 HydrophobicContact CG2-CD2 3.99Å; I252-F280 HydrophobicContact CD1-CD1 3.85Å; I252-F280 HydrophobicContact CD1-CE1 4.18Å; I252-K282 HydrophobicContact CD1-CB 4.1Å; I252-K282 HydrophobicContact CG1-CB 4.42Å; I252-R283 PolarHBondContact N-O 3.41Å; I252-T284 HydrophobicContact CB-CG2 4.17Å; I252-T284 HydrophobicContact CG2-CG2 4.23Å; I252-T284 CarbonylContact O-C 3.58Å; I252-T284 WeakPolarHBondContact O-CA 3.41Å; I252-L285 PolarHBondContact O-N 3.16Å; I252-C333 WeakPolarHBondContact CA-O 3.44Å; I252-I335 HydrophobicContact CG2-CG2 3.69Å; I252-L384 HydrophobicContact CD1-CD2 3.94Å; I252-F388 HydrophobicContact CD1-CD2 4.19Å; I252-F388 HydrophobicContact CD1-CE2 4.33Å; I252-F388 HydrophobicContact CG1-CD2 3.78Å; I252-F388 HydrophobicContact CG1-CE2 3.7Å
253	V	98.8	Very high	94.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.9	164.8	179	0	0	0	0	108.5	Y251 L285 L287 F324 A331 C333 M334 I335	Y251-V253 HydrophobicContact CD2-CG2 4.29Å; Y251-V253 HydrophobicContact CE2-CG2 3.93Å; V253-L285 CarbonylContact C-O 3.31Å; V253-L285 WeakPolarHBondContact CA-O 3.48Å; V253-L285 HydrophobicContact CG2-CD2 4.4Å; V253-L287 HydrophobicContact CG1-CD1 4.16Å; V253-F324 HydrophobicContact CG1-CE2 4.06Å; V253-A331 HydrophobicContact CG2-CB 3.84Å; V253-C333 PolarHBondContact N-O 3.39Å; V253-C333 VanDerWaalsContact N-O 3.09Å; V253-M334 HydrophobicContact CB-CG 4.49Å; V253-M334 CarbonylContact O-C 3.53Å; V253-M334 VanDerWaalsContact O-CA 3.24Å; V253-M334 WeakPolarHBondContact O-CA 3.41Å; V253-I335 PolarHBondContact O-N 3.44Å
254	A	98.6	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.2	-178.5	0	0	0	0	0	111.1	L277 T284 L285 I286 L287 I335	A254-L277 HydrophobicContact CB-CD1 4.09Å; A254-T284 HydrophobicContact CB-CG2 3.91Å; A254-L285 PolarHBondContact N-O 2.94Å; A254-I286 HydrophobicContact CB-CB 4.17Å; A254-I286 HydrophobicContact CB-CD1 4.39Å; A254-I286 HydrophobicContact CB-CG1 4.01Å; A254-I286 WeakPolarHBondContact O-CA 3.39Å; A254-L287 PolarHBondContact O-N 2.91Å; A254-I335 WeakPolarHBondContact CA-O 3.28Å; A254-I335 HydrophobicContact CB-CG2 3.86Å
255	L	98.1	Very high	95	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	102	176.5	178.8	52	0	0	0	111.2	L287 M334 I335 G336 N337 S338	L255-L287 HydrophobicContact CB-CB 4.4Å; L255-L287 HydrophobicContact CD1-CB 3.78Å; L255-L287 HydrophobicContact CG-CB 4.43Å; L255-M334 HydrophobicContact CB-CE 4.21Å; L255-I335 PolarHBondContact N-O 3.39Å; L255-G336 WeakPolarHBondContact O-CA 3.39Å; L255-N337 PolarHBondContact O-N 3.3Å; L255-N337 VanDerWaalsContact O-N 3.12Å; L255-S338 WeakPolarHBondContact CD2-OG 3.47Å
256	Q	97.8	Very high	95.1	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	21%	0.205	C	C	.	.			trans	-114.9	135.5	177.4	-173.5	76.8	19.8	0	0	109.5	Y270 M273 P289 M298 N337	Q256-Y270 HydrophobicContact CB-CD2 3.67Å; Q256-Y270 HydrophobicContact CB-CE2 3.93Å; Q256-Y270 HydrophobicContact CG-CD2 3.88Å; Q256-M273 HydrophobicContact CB-CE 4.11Å; Q256-M273 HydrophobicContact CB-SD 4.21Å; Q256-P289 WeakPolarHBondContact O-CB 3.27Å; Q256-M298 HydrophobicContact CB-CE 3.95Å; Q256-M298 HydrophobicContact CG-CE 3.68Å; Q256-M298 WeakPolarHBondContact O-CE 3.43Å; Q256-N337 VanDerWaalsContact NE2-CG 3.32Å; Q256-N337 PolarHBondContact NE2-ND2 3.32Å
257	H	96.3	Very high	95.2	Very high	5 Å²	5	41 Å²	41	2%	0.023	21%	0.208	C	C	.	.			trans	-111.4	150.5	174.1	-54.5	-79.8	0	0	0	110.1	N290 N337 R358	H257-N290 VanDerWaalsContact CE1-CG 3.42Å; H257-N290 PolarHBondContact CE1-ND2 3.12Å; H257-N290 PolarHBondContact CE1-OD1 3.18Å; H257-N290 PolarHBondContact ND1-N 3.28Å; H257-N290 VanDerWaalsContact ND1-N 3.18Å; H257-N337 PolarHBondContact CD2-OD1 3.35Å; H257-N337 PolarHBondContact N-OD1 2.98Å; H257-N337 PolarHBondContact O-ND2 3.32Å; H257-R358 PolarHBondContact CD2-NH1 2.81Å
258	P	94.9	Very high	95.3	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.039	20%	0.202	C	C	.	.			trans	-70	149.5	173.3	30.5	-32.8	0	0	0	110.5	D292 A293 M298	P258-D292 HydrophobicContact CG-CB 4.12Å; P258-A293 WeakPolarHBondContact CB-O 3.45Å; P258-A293 WeakPolarHBondContact CG-O 3.48Å; P258-M298 HydrophobicContact CB-SD 3.61Å; P258-M298 WeakPolarHBondContact CD-SD 3.47Å; P258-M298 HydrophobicContact CG-SD 3.96Å; P258-M298 VanDerWaalsContact N-SD 3.36Å
259	V	93.8	Very high	95.4	Very high	12 Å²	12	36.1 Å²	36.1	7%	0.073	19%	0.186	C	C	.	.			trans	-98.9	116	166.7	-178.7	0	0	0	0	107.4	T177 T261 D262 I263 S266 R358	T177-V259 HydrophobicContact CG2-CG1 4.15Å; V259-T261 WeakPolarHBondContact CG1-OG1 3.27Å; V259-T261 PolarHBondContact O-N 3.46Å; V259-D262 CarbonylContact O-C 3.52Å; V259-D262 VanDerWaalsContact O-C 3.24Å; V259-D262 PolarHBondContact O-N 3.47Å; V259-I263 PolarHBondContact O-N 2.89Å; V259-S266 PolarHBondContact N-OG 2.96Å; V259-R358 HydrophobicContact CG2-CB 4.01Å
260	T	88.1	Confident	95.6	Very high	25 Å²	25	33.6 Å²	33.6	15%	0.153	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.4	-170.1	56.2	0	0	0	0	113.6	M120 I178 D262 D292 A293	M120-T260 HydrophobicContact CE-CG2 3.8Å; I178-T260 WeakPolarHBondContact CG2-OG1 3.47Å; T260-D262 VanDerWaalsContact C-N 3.33Å; T260-D292 HydrophobicContact CG2-CB 4.23Å; T260-A293 HydrophobicContact CG2-CB 4.07Å
261	T	87.8	Confident	95.6	Very high	107 Å²	107	31 Å²	31	66%	0.656	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.5	178.5	60.3	0	0	0	0	113.5	V259	V259-T261 WeakPolarHBondContact CG1-OG1 3.27Å; V259-T261 PolarHBondContact O-N 3.46Å
262	D	90.9	Very high	95.6	Very high	78 Å²	78	32.5 Å²	32.5	42%	0.417	17%	0.168	S	C	.	.			trans	-148.6	74.4	179	-165.6	-13.8	0	0	0	111.3	V259 T260 Q264 H265 S266	V259-D262 CarbonylContact O-C 3.52Å; V259-D262 VanDerWaalsContact O-C 3.24Å; V259-D262 PolarHBondContact O-N 3.47Å; T260-D262 VanDerWaalsContact C-N 3.33Å; D262-Q264 PolarHBondContact O-N 3.29Å; D262-H265 HydrophobicContact CB-CB 4.16Å; D262-H265 WeakPolarHBondContact OD1-CB 3.24Å; D262-H265 PolarHBondContact OD1-N 2.85Å; D262-H265 WeakPolarHBondContact OD2-CB 3.37Å; D262-H265 IonicContact OD2-CG 3.37Å; D262-S266 WeakPolarHBondContact O-CB 3.25Å; D262-S266 PolarHBondContact O-N 2.95Å; D262-S266 PolarHBondContact O-OG 3.3Å
263	I	93.1	Very high	95.6	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.138	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-40.5	-178.3	-64.2	173.4	0	0	0	111.1	V259 S266 I267 A293	V259-I263 PolarHBondContact O-N 2.89Å; I263-S266 WeakPolarHBondContact O-CB 3.42Å; I263-S266 PolarHBondContact O-N 3.3Å; I263-I267 HydrophobicContact CG2-CD1 3.78Å; I263-I267 HydrophobicContact CG2-CG1 4.39Å; I263-I267 VanDerWaalsContact O-CG1 3.31Å; I263-I267 WeakPolarHBondContact O-CG1 3.27Å; I263-I267 PolarHBondContact O-N 3.08Å; I263-A293 HydrophobicContact CD1-CB 4.1Å
264	Q	94.2	Very high	95.6	Very high	142 Å²	142	32.5 Å²	32.5	66%	0.664	17%	0.168	S	C	*	.	H	α-helix	trans	-66	-42.7	-177.9	-66.7	-57.5	-38.2	0	0	111.6	D262 S266 I267 K268	D262-Q264 PolarHBondContact O-N 3.29Å; Q264-S266 VanDerWaalsContact C-N 3.35Å; Q264-I267 PolarHBondContact O-N 3.12Å; Q264-K268 PolarHBondContact O-N 3.29Å
265	H	94.4	Very high	95.6	Very high	64 Å²	64	35 Å²	35	30%	0.296	18%	0.182	S	C	.	.	H	α-helix	trans	-65.2	-39.8	173.6	-169.9	75.7	0	0	0	112	D262 I267 K268 I269	D262-H265 HydrophobicContact CB-CB 4.16Å; D262-H265 WeakPolarHBondContact OD1-CB 3.24Å; D262-H265 PolarHBondContact OD1-N 2.85Å; D262-H265 WeakPolarHBondContact OD2-CB 3.37Å; D262-H265 IonicContact OD2-CG 3.37Å; H265-I267 VanDerWaalsContact C-N 3.33Å; H265-I267 PolarHBondContact O-N 2.95Å; H265-K268 WeakPolarHBondContact O-CB 3.49Å; H265-K268 PolarHBondContact O-N 2.81Å; H265-K268 VanDerWaalsContact O-N 3.14Å; H265-I269 VanDerWaalsContact CD2-CD1 3.46Å; H265-I269 WeakPolarHBondContact CD2-CD1 3.47Å; H265-I269 VanDerWaalsContact NE2-CD1 3.35Å; H265-I269 WeakPolarHBondContact NE2-CD1 3.24Å; H265-I269 PolarHBondContact O-N 3.21Å
266	S	95.3	Very high	95.6	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-43.7	175	-61.4	0	0	0	0	112.3	V259 D262 I263 Q264 I269 Y270	V259-S266 PolarHBondContact N-OG 2.96Å; D262-S266 WeakPolarHBondContact O-CB 3.25Å; D262-S266 PolarHBondContact O-N 2.95Å; D262-S266 PolarHBondContact O-OG 3.3Å; I263-S266 WeakPolarHBondContact O-CB 3.42Å; I263-S266 PolarHBondContact O-N 3.3Å; Q264-S266 VanDerWaalsContact C-N 3.35Å; S266-I269 PolarHBondContact O-N 3.39Å; S266-Y270 WeakPolarHBondContact O-CB 3.33Å; S266-Y270 PolarHBondContact O-N 3.21Å
267	I	96.6	Very high	95.6	Very high	31 Å²	31	34.3 Å²	34.3	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-43.7	174.9	-73.6	164	0	0	0	110.9	I263 Q264 H265 Y270 G271 E297 V301	I263-I267 HydrophobicContact CG2-CD1 3.78Å; I263-I267 HydrophobicContact CG2-CG1 4.39Å; I263-I267 VanDerWaalsContact O-CG1 3.31Å; I263-I267 WeakPolarHBondContact O-CG1 3.27Å; I263-I267 PolarHBondContact O-N 3.08Å; Q264-I267 PolarHBondContact O-N 3.12Å; H265-I267 VanDerWaalsContact C-N 3.33Å; H265-I267 PolarHBondContact O-N 2.95Å; I267-Y270 PolarHBondContact O-N 3.3Å; I267-G271 PolarHBondContact O-N 3.37Å; I267-E297 HydrophobicContact CD1-CB 3.56Å; I267-E297 HydrophobicContact CD1-CG 4.26Å; I267-E297 HydrophobicContact CG1-CB 4.11Å; I267-V301 HydrophobicContact CG2-CG2 3.82Å
268	K	97.2	Very high	95.7	Very high	116 Å²	116	36.4 Å²	36.4	50%	0.504	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-50.9	177.6	-177.2	-177.8	174.4	-174.2	0	111.6	Q264 H265 Y270 G271 L272	Q264-K268 PolarHBondContact O-N 3.29Å; H265-K268 WeakPolarHBondContact O-CB 3.49Å; H265-K268 PolarHBondContact O-N 2.81Å; H265-K268 VanDerWaalsContact O-N 3.14Å; K268-Y270 VanDerWaalsContact C-N 3.3Å; K268-Y270 PolarHBondContact O-N 3.3Å; K268-G271 PolarHBondContact O-N 2.9Å; K268-L272 HydrophobicContact CG-CD1 4.19Å; K268-L272 WeakPolarHBondContact O-CG 3.49Å; K268-L272 PolarHBondContact O-N 2.92Å
269	I	97.6	Very high	95.9	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-57	-46.8	177.1	-70.3	172.7	0	0	0	110.1	H265 S266 G271 L272 M273 L355 A374	H265-I269 VanDerWaalsContact CD2-CD1 3.46Å; H265-I269 WeakPolarHBondContact CD2-CD1 3.47Å; H265-I269 VanDerWaalsContact NE2-CD1 3.35Å; H265-I269 WeakPolarHBondContact NE2-CD1 3.24Å; H265-I269 PolarHBondContact O-N 3.21Å; S266-I269 PolarHBondContact O-N 3.39Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.46Å; I269-L272 PolarHBondContact O-N 2.81Å; I269-M273 WeakPolarHBondContact O-CB 3.33Å; I269-M273 PolarHBondContact O-N 2.9Å; I269-L355 HydrophobicContact CG2-CB 4.13Å; I269-L355 HydrophobicContact CG2-CD1 4.25Å; I269-A374 HydrophobicContact CG1-CB 4.24Å; I269-A374 HydrophobicContact CG2-CB 4.12Å
270	Y	98.3	Very high	96.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-42.4	-179.7	-170.3	-117.1	0	0	0	112.1	Q256 S266 I267 K268 M273 L274 I286 M298 V301 M302	Q256-Y270 HydrophobicContact CB-CD2 3.67Å; Q256-Y270 HydrophobicContact CB-CE2 3.93Å; Q256-Y270 HydrophobicContact CG-CD2 3.88Å; S266-Y270 WeakPolarHBondContact O-CB 3.33Å; S266-Y270 PolarHBondContact O-N 3.21Å; I267-Y270 PolarHBondContact O-N 3.3Å; K268-Y270 VanDerWaalsContact C-N 3.3Å; K268-Y270 PolarHBondContact O-N 3.3Å; Y270-M273 HydrophobicContact CD2-CE 3.54Å; Y270-M273 HydrophobicContact CE2-CE 3.49Å; Y270-M273 VanDerWaalsContact CE2-CE 3.49Å; Y270-M273 PolarHBondContact O-N 2.94Å; Y270-L274 HydrophobicContact CD1-CD1 3.95Å; Y270-L274 HydrophobicContact CE1-CD1 3.64Å; Y270-L274 HydrophobicContact CE1-CG 4.3Å; Y270-L274 VanDerWaalsContact O-CG 3.29Å; Y270-L274 WeakPolarHBondContact O-CG 3.28Å; Y270-L274 PolarHBondContact O-N 2.79Å; Y270-I286 HydrophobicContact CE2-CD1 4.41Å; Y270-I286 WeakPolarHBondContact OH-CD1 3.26Å; Y270-M298 HydrophobicContact CD1-CB 3.93Å; Y270-M298 HydrophobicContact CD1-CE 3.99Å; Y270-M298 HydrophobicContact CD1-CG 4.24Å; Y270-M298 HydrophobicContact CD2-CE 3.35Å; Y270-M298 HydrophobicContact CE1-CB 4.03Å; Y270-M298 HydrophobicContact CE1-CE 4.36Å; Y270-M298 WeakPolarHBondContact CE1-O 3.49Å; Y270-M298 HydrophobicContact CE2-CE 3.77Å; Y270-M298 HydrophobicContact CG-CE 3.45Å; Y270-M298 VanDerWaalsContact CG-CE 3.45Å; Y270-M298 HydrophobicContact CG-CG 4.43Å; Y270-V301 HydrophobicContact CD1-CB 4.26Å; Y270-V301 HydrophobicContact CD1-CG1 4.18Å; Y270-M302 HydrophobicContact CE1-CB 4.02Å
271	G	98.4	Very high	96.6	Very high	9 Å²	9	44 Å²	44	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-48.4	173.5	0	0	0	0	0	112.5	I267 K268 I269 L274 D275 K305	I267-G271 PolarHBondContact O-N 3.37Å; K268-G271 PolarHBondContact O-N 2.9Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.46Å; G271-L274 PolarHBondContact O-N 3.46Å; G271-D275 PolarHBondContact O-N 2.89Å; G271-K305 VanDerWaalsContact O-CE 3.26Å; G271-K305 WeakPolarHBondContact O-CE 3.39Å
272	L	98.6	Very high	97	Very high	30 Å²	30	42 Å²	42	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-38.5	178.4	-67.2	171.7	0	0	0	112.5	K268 I269 D275 A276 A374 D375 H377 I380	K268-L272 HydrophobicContact CG-CD1 4.19Å; K268-L272 WeakPolarHBondContact O-CG 3.49Å; K268-L272 PolarHBondContact O-N 2.92Å; I269-L272 PolarHBondContact O-N 2.81Å; L272-D275 PolarHBondContact O-N 3.18Å; L272-A276 WeakPolarHBondContact O-CB 3.43Å; L272-A276 PolarHBondContact O-N 3.49Å; L272-A374 WeakPolarHBondContact CD1-O 3.43Å; L272-D375 VanDerWaalsContact CD1-C 3.42Å; L272-D375 WeakPolarHBondContact CD1-O 3.44Å; L272-H377 HydrophobicContact CD2-CB 4.38Å; L272-I380 HydrophobicContact CB-CD1 3.7Å
273	M	98.6	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-46.4	174.8	-176.7	-167.1	76.6	0	0	111	Q256 I269 Y270 D275 A276 L277 I335 L355 I380	Q256-M273 HydrophobicContact CB-CE 4.11Å; Q256-M273 HydrophobicContact CB-SD 4.21Å; I269-M273 WeakPolarHBondContact O-CB 3.33Å; I269-M273 PolarHBondContact O-N 2.9Å; Y270-M273 HydrophobicContact CD2-CE 3.54Å; Y270-M273 HydrophobicContact CE2-CE 3.49Å; Y270-M273 VanDerWaalsContact CE2-CE 3.49Å; Y270-M273 PolarHBondContact O-N 2.94Å; M273-D275 VanDerWaalsContact C-N 3.34Å; M273-D275 PolarHBondContact O-N 3.18Å; M273-A276 PolarHBondContact O-N 3.39Å; M273-L277 HydrophobicContact CE-CD1 4.22Å; M273-L277 HydrophobicContact CG-CD1 4.02Å; M273-L277 WeakPolarHBondContact O-CB 3.24Å; M273-L277 VanDerWaalsContact O-CG 3.28Å; M273-L277 WeakPolarHBondContact O-CG 3.23Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-I335 HydrophobicContact CG-CD1 3.96Å; M273-I335 HydrophobicContact CG-CG1 4.23Å; M273-I335 HydrophobicContact SD-CG1 4.16Å; M273-I335 HydrophobicContact SD-CG2 4.47Å; M273-L355 HydrophobicContact CB-CD1 3.93Å; M273-L355 HydrophobicContact CG-CD1 3.72Å; M273-L355 HydrophobicContact SD-CD1 3.78Å; M273-I380 HydrophobicContact CB-CD1 4.36Å
274	L	98.6	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-41.9	176.6	-68.8	177.8	0	0	0	111.7	Y270 G271 L277 I278 I286 V301 M302 K305 I307	Y270-L274 HydrophobicContact CD1-CD1 3.95Å; Y270-L274 HydrophobicContact CE1-CD1 3.64Å; Y270-L274 HydrophobicContact CE1-CG 4.3Å; Y270-L274 VanDerWaalsContact O-CG 3.29Å; Y270-L274 WeakPolarHBondContact O-CG 3.28Å; Y270-L274 PolarHBondContact O-N 2.79Å; G271-L274 PolarHBondContact O-N 3.46Å; L274-L277 PolarHBondContact O-N 3.21Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 2.87Å; L274-I278 PolarHBondContact O-N 3.01Å; L274-I286 HydrophobicContact CD2-CD1 3.48Å; L274-I286 VanDerWaalsContact CD2-CD1 3.48Å; L274-V301 HydrophobicContact CD1-CG1 4.19Å; L274-M302 HydrophobicContact CD1-CB 4.24Å; L274-K305 HydrophobicContact CB-CD 3.66Å; L274-K305 HydrophobicContact CD1-CD 3.91Å; L274-K305 HydrophobicContact CG-CD 4.47Å; L274-I307 HydrophobicContact CB-CD1 4.46Å; L274-I307 HydrophobicContact CD1-CG1 4.15Å; L274-I307 HydrophobicContact CD2-CD1 4.04Å; L274-I307 HydrophobicContact CD2-CG1 4.01Å
275	D	98.5	Very high	97.8	Very high	54 Å²	54	33 Å²	33	29%	0.289	17%	0.166	S	C	.	.	H	α-helix	trans	-61.3	-45.6	175.3	-71.2	-34.6	0	0	0	111.7	G271 L272 M273 L277 I278 S279 K305 H377	G271-D275 PolarHBondContact O-N 2.89Å; L272-D275 PolarHBondContact O-N 3.18Å; M273-D275 VanDerWaalsContact C-N 3.34Å; M273-D275 PolarHBondContact O-N 3.18Å; D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 3.43Å; D275-I278 PolarHBondContact O-N 2.88Å; D275-S279 PolarHBondContact O-N 3.24Å; D275-S279 PolarHBondContact O-OG 3.11Å; D275-K305 IonicContact OD1-NZ 3.87Å; D275-K305 PolarHBondContact OD1-NZ 2.98Å; D275-K305 IonicContact OD2-NZ 2.89Å; D275-K305 PolarHBondContact OD2-NZ 3.19Å; D275-H377 VanDerWaalsContact C-CE1 3.42Å; D275-H377 WeakPolarHBondContact CB-ND1 3.26Å; D275-H377 PolarHBondContact O-CE1 3.35Å; D275-H377 VanDerWaalsContact O-CE1 3.32Å
276	A	98.6	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-41.6	177.1	0	0	0	0	0	111.9	L272 M273 S279 F280 H377 I380 L384	L272-A276 WeakPolarHBondContact O-CB 3.43Å; L272-A276 PolarHBondContact O-N 3.49Å; M273-A276 PolarHBondContact O-N 3.39Å; A276-S279 PolarHBondContact O-N 3.06Å; A276-F280 VanDerWaalsContact O-CB 3.23Å; A276-F280 WeakPolarHBondContact O-CB 3.31Å; A276-F280 PolarHBondContact O-N 3.11Å; A276-H377 VanDerWaalsContact CA-CE1 3.41Å; A276-H377 WeakPolarHBondContact CA-CE1 3.4Å; A276-H377 PolarHBondContact N-CE1 3.03Å; A276-H377 PolarHBondContact N-ND1 3.49Å; A276-I380 HydrophobicContact CB-CB 3.94Å; A276-I380 HydrophobicContact CB-CG2 3.72Å; A276-L384 HydrophobicContact CB-CD1 4.12Å
277	L	98.7	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-39.4	176.9	-71.6	167.5	0	0	0	112.7	I252 A254 M273 L274 D275 F280 N281 T284 F313 I335 L384	I252-L277 HydrophobicContact CD1-CD2 3.64Å; I252-L277 HydrophobicContact CG2-CD2 3.99Å; A254-L277 HydrophobicContact CB-CD1 4.09Å; M273-L277 HydrophobicContact CE-CD1 4.22Å; M273-L277 HydrophobicContact CG-CD1 4.02Å; M273-L277 WeakPolarHBondContact O-CB 3.24Å; M273-L277 VanDerWaalsContact O-CG 3.28Å; M273-L277 WeakPolarHBondContact O-CG 3.23Å; M273-L277 PolarHBondContact O-N 2.84Å; L274-L277 PolarHBondContact O-N 3.21Å; D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 3.43Å; L277-F280 PolarHBondContact O-N 3.25Å; L277-N281 PolarHBondContact O-N 2.94Å; L277-N281 VanDerWaalsContact O-N 3.11Å; L277-T284 HydrophobicContact CD1-CG2 4.32Å; L277-T284 HydrophobicContact CD2-CG2 4.4Å; L277-F313 HydrophobicContact CB-CE1 3.91Å; L277-F313 HydrophobicContact CB-CZ 3.7Å; L277-F313 HydrophobicContact CD1-CE1 4.33Å; L277-I335 HydrophobicContact CD1-CG2 4.34Å; L277-I335 HydrophobicContact CD2-CG2 4.18Å; L277-L384 HydrophobicContact CD2-CD1 4.17Å; L277-L384 HydrophobicContact CD2-CD2 4.22Å
278	I	98.5	Very high	98	Very high	50 Å²	50	29.6 Å²	29.6	26%	0.256	15%	0.149	S	C	.	.	H	α-helix	trans	-61.3	-49.7	174.2	-69.7	163.1	0	0	0	109.7	L274 D275 F280 N281 I307 F313	L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 2.87Å; L274-I278 PolarHBondContact O-N 3.01Å; D275-I278 PolarHBondContact O-N 2.88Å; I278-F280 PolarHBondContact O-N 3.34Å; I278-N281 PolarHBondContact O-N 2.72Å; I278-I307 HydrophobicContact CD1-CD1 3.91Å; I278-I307 HydrophobicContact CG1-CD1 4.05Å; I278-F313 HydrophobicContact CG1-CE2 3.85Å; I278-F313 HydrophobicContact CG1-CZ 3.97Å
279	S	98.3	Very high	97.8	Very high	66 Å²	66	24.2 Å²	24.2	46%	0.462	13%	0.126	S	C	.	.	H	α-helix	trans	-63.8	-39.6	179	-66.6	0	0	0	0	113	D275 A276 N281 H377	D275-S279 PolarHBondContact O-N 3.24Å; D275-S279 PolarHBondContact O-OG 3.11Å; A276-S279 PolarHBondContact O-N 3.06Å; S279-N281 PolarHBondContact O-N 3.27Å; S279-H377 PolarHBondContact OG-CE1 3.29Å; S279-H377 VanDerWaalsContact OG-CE1 3.24Å
280	F	98.3	Very high	97.4	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.145	13%	0.127	C	C	.	.	H	α-helix	trans	-70	-20.5	179.6	-164.6	-106.8	0	0	0	112.4	I252 A276 L277 I278 K282 Y381 L384 E385 F388	I252-F280 HydrophobicContact CD1-CD1 3.85Å; I252-F280 HydrophobicContact CD1-CE1 4.18Å; A276-F280 VanDerWaalsContact O-CB 3.23Å; A276-F280 WeakPolarHBondContact O-CB 3.31Å; A276-F280 PolarHBondContact O-N 3.11Å; L277-F280 PolarHBondContact O-N 3.25Å; I278-F280 PolarHBondContact O-N 3.34Å; F280-K282 VanDerWaalsContact C-N 3.31Å; F280-K282 HydrophobicContact CD1-CB 4.09Å; F280-K282 HydrophobicContact CD1-CG 3.66Å; F280-K282 HydrophobicContact CE1-CB 4.37Å; F280-K282 HydrophobicContact CE1-CG 3.62Å; F280-K282 PolarHBondContact O-N 3.05Å; F280-Y381 HydrophobicContact CB-CD2 4.34Å; F280-Y381 HydrophobicContact CB-CE2 4.01Å; F280-Y381 HydrophobicContact CD2-CD2 4.47Å; F280-Y381 AromaticContact CD2-CE2 3.95Å; F280-Y381 HydrophobicContact CD2-CE2 3.95Å; F280-L384 HydrophobicContact CB-CD1 4Å; F280-L384 HydrophobicContact CD1-CB 4.36Å; F280-L384 HydrophobicContact CD2-CB 3.94Å; F280-L384 HydrophobicContact CE1-CB 4.39Å; F280-L384 HydrophobicContact CE2-CB 3.99Å; F280-L384 HydrophobicContact CG-CB 4.14Å; F280-L384 HydrophobicContact CG-CD1 4.14Å; F280-L384 HydrophobicContact CZ-CB 4.22Å; F280-E385 HydrophobicContact CE2-CG 4.16Å; F280-F388 HydrophobicContact CE1-CB 3.84Å; F280-F388 AromaticContact CE1-CD1 3.92Å; F280-F388 HydrophobicContact CE1-CD1 3.92Å; F280-F388 AromaticContact CE1-CD2 3.85Å; F280-F388 HydrophobicContact CE1-CD2 3.85Å; F280-F388 HydrophobicContact CE1-CE1 4.45Å; F280-F388 HydrophobicContact CE1-CE2 4.38Å; F280-F388 AromaticContact CE1-CG 3.58Å; F280-F388 HydrophobicContact CE1-CG 3.58Å; F280-F388 HydrophobicContact CZ-CB 3.67Å; F280-F388 AromaticContact CZ-CD1 3.97Å; F280-F388 HydrophobicContact CZ-CD1 3.97Å; F280-F388 AromaticContact CZ-CG 3.8Å; F280-F388 HydrophobicContact CZ-CG 3.8Å
281	N	97.3	Very high	97	Very high	103 Å²	103	25 Å²	25	55%	0.551	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	36	163	-161.2	41.2	0	0	0	115	L277 I278 S279 N312	L277-N281 PolarHBondContact O-N 2.94Å; L277-N281 VanDerWaalsContact O-N 3.11Å; I278-N281 PolarHBondContact O-N 2.72Å; S279-N281 PolarHBondContact O-N 3.27Å; N281-N312 PolarHBondContact OD1-ND2 2.93Å
282	K	97.4	Very high	96.6	Very high	66 Å²	66	25.1 Å²	25.1	29%	0.287	13%	0.129	S	C	.	.			trans	-103.5	153.5	172.4	-70.4	-66.1	-172.7	165.7	0	111.3	D250 I252 F280 T284 F388	D250-K282 IonicContact OD1-NZ 3.35Å; D250-K282 PolarHBondContact OD1-NZ 3.11Å; D250-K282 IonicContact OD2-NZ 3.81Å; I252-K282 HydrophobicContact CD1-CB 4.1Å; I252-K282 HydrophobicContact CG1-CB 4.42Å; F280-K282 VanDerWaalsContact C-N 3.31Å; F280-K282 HydrophobicContact CD1-CB 4.09Å; F280-K282 HydrophobicContact CD1-CG 3.66Å; F280-K282 HydrophobicContact CE1-CB 4.37Å; F280-K282 HydrophobicContact CE1-CG 3.62Å; F280-K282 PolarHBondContact O-N 3.05Å; K282-T284 PolarHBondContact O-N 3.26Å; K282-T284 PolarHBondContact O-OG1 3.35Å; K282-F388 HydrophobicContact CB-CE2 4.31Å; K282-F388 HydrophobicContact CB-CZ 4.29Å; K282-F388 HydrophobicContact CD-CE1 4.06Å; K282-F388 HydrophobicContact CD-CZ 3.79Å; K282-F388 HydrophobicContact CG-CE1 4.13Å; K282-F388 HydrophobicContact CG-CE2 4.12Å; K282-F388 HydrophobicContact CG-CZ 3.75Å
283	R	98	Very high	96.2	Very high	56 Å²	56	23.7 Å²	23.7	21%	0.211	12%	0.122	C	C	.	.			trans	-60	126.3	175.8	-165.3	72.5	165	132	9.5	108.8	L242 V246 Y251 I252 P311 N312 F313	L242-R283 HydrophobicContact CB-CG 4.29Å; L242-R283 HydrophobicContact CD2-CG 3.67Å; L242-R283 PolarHBondContact O-NE 3.42Å; L242-R283 PolarHBondContact O-NH2 2.86Å; V246-R283 HydrophobicContact CG2-CB 4.17Å; V246-R283 HydrophobicContact CG2-CG 3.77Å; Y251-R283 CarbonylContact C-O 3.59Å; Y251-R283 WeakPolarHBondContact CA-O 3.49Å; Y251-R283 VanDerWaalsContact CB-O 3.29Å; Y251-R283 WeakPolarHBondContact CB-O 3.43Å; I252-R283 PolarHBondContact N-O 3.41Å; R283-P311 PolarHBondContact NH1-O 3.47Å; R283-N312 CarbonylContact C-O 3.59Å; R283-N312 WeakPolarHBondContact CA-O 3.13Å; R283-F313 PolarHBondContact NH1-O 3.18Å; R283-F313 VanDerWaalsContact NH1-O 3.08Å
284	T	98.5	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.9	-171.9	-59.6	0	0	0	0	110.4	I252 A254 L277 K282 N312 F313 R314	I252-T284 HydrophobicContact CB-CG2 4.17Å; I252-T284 HydrophobicContact CG2-CG2 4.23Å; I252-T284 CarbonylContact O-C 3.58Å; I252-T284 WeakPolarHBondContact O-CA 3.41Å; A254-T284 HydrophobicContact CB-CG2 3.91Å; L277-T284 HydrophobicContact CD1-CG2 4.32Å; L277-T284 HydrophobicContact CD2-CG2 4.4Å; K282-T284 PolarHBondContact O-N 3.26Å; K282-T284 PolarHBondContact O-OG1 3.35Å; T284-N312 PolarHBondContact N-O 3.31Å; T284-F313 HydrophobicContact CG2-CD1 3.83Å; T284-F313 HydrophobicContact CG2-CE1 3.77Å; T284-F313 CarbonylContact O-C 3.57Å; T284-F313 VanDerWaalsContact O-CA 3.3Å; T284-F313 WeakPolarHBondContact O-CA 2.95Å; T284-R314 PolarHBondContact O-N 3.43Å
285	L	98.5	Very high	95.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.5	166	176.2	65.4	0	0	0	108	L242 I252 V253 A254 L287 R314 V316 I319 L327	L242-L285 HydrophobicContact CD2-CB 3.8Å; L242-L285 HydrophobicContact CG-CB 4.4Å; I252-L285 PolarHBondContact O-N 3.16Å; V253-L285 CarbonylContact C-O 3.31Å; V253-L285 WeakPolarHBondContact CA-O 3.48Å; V253-L285 HydrophobicContact CG2-CD2 4.4Å; A254-L285 PolarHBondContact N-O 2.94Å; L285-L287 HydrophobicContact CD2-CD1 4.37Å; L285-L287 HydrophobicContact CG-CD1 4.04Å; L285-R314 HydrophobicContact CD1-CB 4.17Å; L285-R314 HydrophobicContact CD1-CG 4.04Å; L285-V316 HydrophobicContact CD1-CG1 4.13Å; L285-V316 HydrophobicContact CD1-CG2 3.83Å; L285-I319 HydrophobicContact CD1-CD1 3.98Å; L285-I319 HydrophobicContact CD2-CD1 3.5Å; L285-I319 HydrophobicContact CG-CD1 4.11Å; L285-L327 HydrophobicContact CD2-CB 4.34Å; L285-L327 HydrophobicContact CD2-CD1 3.78Å; L285-L327 HydrophobicContact CD2-CD2 4.38Å; L285-L327 HydrophobicContact CD2-CG 4.41Å
286	I	98.3	Very high	95.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.9	-180	-171.6	166.9	0	0	0	110.5	A254 Y270 L274 M302 I307 F313 R314 A315 V316	A254-I286 HydrophobicContact CB-CB 4.17Å; A254-I286 HydrophobicContact CB-CD1 4.39Å; A254-I286 HydrophobicContact CB-CG1 4.01Å; A254-I286 WeakPolarHBondContact O-CA 3.39Å; Y270-I286 HydrophobicContact CE2-CD1 4.41Å; Y270-I286 WeakPolarHBondContact OH-CD1 3.26Å; L274-I286 HydrophobicContact CD2-CD1 3.48Å; L274-I286 VanDerWaalsContact CD2-CD1 3.48Å; I286-M302 HydrophobicContact CD1-SD 4.19Å; I286-M302 HydrophobicContact CG2-SD 4.36Å; I286-I307 HydrophobicContact CG2-CG2 3.86Å; I286-F313 HydrophobicContact CG2-CD1 4.25Å; I286-R314 PolarHBondContact N-O 3.02Å; I286-A315 HydrophobicContact CG2-CB 3.87Å; I286-A315 CarbonylContact O-C 3.5Å; I286-A315 WeakPolarHBondContact O-CA 3.48Å; I286-V316 PolarHBondContact O-N 3.41Å
287	L	97.1	Very high	95.1	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.6	178.9	-74.9	85.9	0	0	0	110	V253 A254 L255 L285 V316 I319 F324	V253-L287 HydrophobicContact CG1-CD1 4.16Å; A254-L287 PolarHBondContact O-N 2.91Å; L255-L287 HydrophobicContact CB-CB 4.4Å; L255-L287 HydrophobicContact CD1-CB 3.78Å; L255-L287 HydrophobicContact CG-CB 4.43Å; L285-L287 HydrophobicContact CD2-CD1 4.37Å; L285-L287 HydrophobicContact CG-CD1 4.04Å; L287-V316 WeakPolarHBondContact CA-O 3.45Å; L287-V316 HydrophobicContact CD1-CG2 4.45Å; L287-V316 HydrophobicContact CG-CG2 3.89Å; L287-I319 HydrophobicContact CD1-CD1 4.43Å; L287-F324 HydrophobicContact CD1-CE2 4.19Å; L287-F324 HydrophobicContact CD2-CD2 4.33Å; L287-F324 HydrophobicContact CD2-CE2 4.06Å
288	F	95.6	Very high	94.9	Very high	23 Å²	23	29.4 Å²	29.4	10%	0.101	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-63.2	146.5	174.6	-79.2	-124.6	0	0	0	110.4	R55 V299 M302 A315 V316 K317	R55-F288 PolarHBondContact NH2-O 2.97Å; F288-V299 HydrophobicContact CD1-CG1 4.44Å; F288-V299 HydrophobicContact CD1-CG2 3.69Å; F288-V299 HydrophobicContact CE1-CG1 3.9Å; F288-V299 HydrophobicContact CE1-CG2 4.01Å; F288-M302 HydrophobicContact CD1-CE 4.35Å; F288-M302 HydrophobicContact CD2-CE 4.13Å; F288-M302 HydrophobicContact CE1-CE 3.84Å; F288-M302 HydrophobicContact CE2-CE 3.63Å; F288-M302 HydrophobicContact CG-CE 4.49Å; F288-M302 HydrophobicContact CZ-CE 3.45Å; F288-M302 VanDerWaalsContact CZ-CE 3.45Å; F288-A315 HydrophobicContact CE2-CB 3.97Å; F288-V316 VanDerWaalsContact CD2-O 3.3Å; F288-V316 WeakPolarHBondContact CD2-O 3.21Å; F288-V316 PolarHBondContact N-O 3.29Å; F288-K317 HydrophobicContact CD1-CG 4.46Å; F288-K317 HydrophobicContact CD2-CG 4.33Å; F288-K317 HydrophobicContact CE2-CG 4.49Å; F288-K317 HydrophobicContact CG-CG 4.3Å
289	P	93.3	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.019	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62	169.3	176.5	27.1	-34.7	0	0	0	111.6	Q256 M298 V299	Q256-P289 WeakPolarHBondContact O-CB 3.27Å; P289-M298 HydrophobicContact CB-SD 4.38Å; P289-M298 HydrophobicContact CG-CB 4.32Å; P289-V299 HydrophobicContact CG-CG2 4.15Å
290	N	89	Confident	94.7	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.048	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-76.6	170.9	172.4	-77.8	-8.8	0	0	0	109.8	H257 D292 S295	H257-N290 VanDerWaalsContact CE1-CG 3.42Å; H257-N290 PolarHBondContact CE1-ND2 3.12Å; H257-N290 PolarHBondContact CE1-OD1 3.18Å; H257-N290 PolarHBondContact ND1-N 3.28Å; H257-N290 VanDerWaalsContact ND1-N 3.18Å; N290-D292 WeakPolarHBondContact CB-OD2 3.15Å; N290-D292 PolarHBondContact O-N 2.72Å; N290-S295 WeakPolarHBondContact O-CB 3.33Å
291	I	88.9	Confident	94.6	Very high	14 Å²	14	30 Å²	30	7%	0.072	14%	0.139	C	C	.	.	S	Bend	trans	-67	-1.1	-176.8	-173.9	161.7	0	0	0	114.7	Y90 I111 F150	Y90-I291 HydrophobicContact CD1-CB 4.38Å; Y90-I291 HydrophobicContact CD2-CB 4.38Å; Y90-I291 HydrophobicContact CD2-CD1 4.11Å; Y90-I291 HydrophobicContact CE1-CB 3.67Å; Y90-I291 HydrophobicContact CE1-CG1 4.36Å; Y90-I291 HydrophobicContact CE2-CB 3.71Å; Y90-I291 HydrophobicContact CE2-CD1 3.37Å; Y90-I291 HydrophobicContact CE2-CG1 3.62Å; Y90-I291 VanDerWaalsContact CZ-CA 3.49Å; Y90-I291 VanDerWaalsContact CZ-CG1 3.5Å; Y90-I291 VanDerWaalsContact OH-CA 3.31Å; Y90-I291 WeakPolarHBondContact OH-CA 3.46Å; Y90-I291 WeakPolarHBondContact OH-CB 3.22Å; Y90-I291 VanDerWaalsContact OH-CG1 3.27Å; Y90-I291 WeakPolarHBondContact OH-CG1 3.32Å; I111-I291 HydrophobicContact CB-CD1 4.37Å; I111-I291 HydrophobicContact CD1-CD1 3.91Å; I111-I291 HydrophobicContact CG1-CD1 3.89Å; I111-I291 HydrophobicContact CG2-CD1 3.56Å; F150-I291 HydrophobicContact CE1-CG2 4.05Å; F150-I291 HydrophobicContact CZ-CG2 3.88Å
292	D	89.6	Confident	94.6	Very high	13 Å²	13	25.1 Å²	25.1	7%	0.07	11%	0.113	C	C	.	.	S	Bend	trans	-56.1	153.3	-179.2	-47	-59.9	0	0	0	111.8	M120 R149 P258 T260 N290 G294 S295	M120-D292 HydrophobicContact CE-CB 4.14Å; R149-D292 IonicContact NE-OD1 3.85Å; P258-D292 HydrophobicContact CG-CB 4.12Å; T260-D292 HydrophobicContact CG2-CB 4.23Å; N290-D292 WeakPolarHBondContact CB-OD2 3.15Å; N290-D292 PolarHBondContact O-N 2.72Å; D292-G294 PolarHBondContact O-N 3.27Å; D292-S295 WeakPolarHBondContact O-CB 3.28Å; D292-S295 PolarHBondContact O-N 3.14Å; D292-S295 VanDerWaalsContact O-N 3.09Å; D292-S295 PolarHBondContact O-OG 3.29Å
293	A	90	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131.6	-175.4	0	0	0	0	0	111.2	E117 M120 P258 T260 I263	E117-A293 HydrophobicContact CG-CB 3.95Å; M120-A293 HydrophobicContact CE-CB 3.97Å; P258-A293 WeakPolarHBondContact CB-O 3.45Å; P258-A293 WeakPolarHBondContact CG-O 3.48Å; T260-A293 HydrophobicContact CG2-CB 4.07Å; I263-A293 HydrophobicContact CD1-CB 4.1Å
294	G	92.1	Very high	94.6	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-4.7	-176.3	0	0	0	0	0	115.4	E115 D292 K296 E297 M298	E115-G294 PolarHBondContact O-N 2.86Å; D292-G294 PolarHBondContact O-N 3.27Å; G294-K296 VanDerWaalsContact C-N 3.31Å; G294-K296 PolarHBondContact O-N 3.26Å; G294-E297 PolarHBondContact O-N 3.22Å; G294-M298 PolarHBondContact O-N 3.49Å; G294-M298 VanDerWaalsContact O-N 3.15Å
295	S	92.8	Very high	94.5	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-56	-41.2	178.5	57.6	0	0	0	0	113.5	N290 D292 E297 M298 V299	N290-S295 WeakPolarHBondContact O-CB 3.33Å; D292-S295 WeakPolarHBondContact O-CB 3.28Å; D292-S295 PolarHBondContact O-N 3.14Å; D292-S295 VanDerWaalsContact O-N 3.09Å; D292-S295 PolarHBondContact O-OG 3.29Å; S295-E297 PolarHBondContact O-N 3.14Å; S295-M298 WeakPolarHBondContact O-CB 3.39Å; S295-M298 PolarHBondContact O-N 3.4Å; S295-V299 WeakPolarHBondContact O-CG2 3.44Å; S295-V299 PolarHBondContact O-N 3.44Å
296	K	92	Very high	94.4	Very high	97 Å²	97	38.8 Å²	38.8	42%	0.422	18%	0.179	S	C	.	.	H	α-helix	trans	-63.3	-39.5	178	-170.1	-175.6	-156.3	151.2	0	113.1	E115 G294 V299 R300	E115-K296 HydrophobicContact CB-CB 3.95Å; E115-K296 HydrophobicContact CB-CD 4.48Å; E115-K296 HydrophobicContact CG-CB 4.31Å; E115-K296 WeakPolarHBondContact OE2-CD 3.49Å; E115-K296 IonicContact OE2-NZ 3.8Å; E115-K296 PolarHBondContact OE2-NZ 3.47Å; G294-K296 VanDerWaalsContact C-N 3.31Å; G294-K296 PolarHBondContact O-N 3.26Å; K296-V299 PolarHBondContact O-N 3.28Å; K296-R300 PolarHBondContact O-N 2.79Å
297	E	94.3	Very high	94.4	Very high	67 Å²	67	38.8 Å²	38.8	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-69.9	-37.6	177.7	-65.4	-53	138.8	0	0	111.2	I267 G294 S295 R300 V301	I267-E297 HydrophobicContact CD1-CB 3.56Å; I267-E297 HydrophobicContact CD1-CG 4.26Å; I267-E297 HydrophobicContact CG1-CB 4.11Å; G294-E297 PolarHBondContact O-N 3.22Å; S295-E297 PolarHBondContact O-N 3.14Å; E297-R300 WeakPolarHBondContact O-CB 3.31Å; E297-R300 PolarHBondContact O-N 2.88Å; E297-R300 IonicContact OE1-CZ 2.6Å; E297-R300 IonicContact OE1-NH1 3.24Å; E297-R300 PolarHBondContact OE1-NH1 2.85Å; E297-R300 IonicContact OE2-CZ 3.1Å; E297-R300 IonicContact OE2-NH1 2.85Å; E297-R300 PolarHBondContact OE2-NH1 3.17Å; E297-V301 VanDerWaalsContact O-CG2 3.28Å; E297-V301 WeakPolarHBondContact O-CG2 3.38Å; E297-V301 PolarHBondContact O-N 3.38Å
298	M	95.9	Very high	94.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-46.2	170.5	-69.2	-179.6	70.2	0	0	111.7	Q256 P258 Y270 P289 G294 S295 R300 V301 M302	Q256-M298 HydrophobicContact CB-CE 3.95Å; Q256-M298 HydrophobicContact CG-CE 3.68Å; Q256-M298 WeakPolarHBondContact O-CE 3.43Å; P258-M298 HydrophobicContact CB-SD 3.61Å; P258-M298 WeakPolarHBondContact CD-SD 3.47Å; P258-M298 HydrophobicContact CG-SD 3.96Å; P258-M298 VanDerWaalsContact N-SD 3.36Å; Y270-M298 HydrophobicContact CD1-CB 3.93Å; Y270-M298 HydrophobicContact CD1-CE 3.99Å; Y270-M298 HydrophobicContact CD1-CG 4.24Å; Y270-M298 HydrophobicContact CD2-CE 3.35Å; Y270-M298 HydrophobicContact CE1-CB 4.03Å; Y270-M298 HydrophobicContact CE1-CE 4.36Å; Y270-M298 WeakPolarHBondContact CE1-O 3.49Å; Y270-M298 HydrophobicContact CE2-CE 3.77Å; Y270-M298 HydrophobicContact CG-CE 3.45Å; Y270-M298 VanDerWaalsContact CG-CE 3.45Å; Y270-M298 HydrophobicContact CG-CG 4.43Å; P289-M298 HydrophobicContact CB-SD 4.38Å; P289-M298 HydrophobicContact CG-CB 4.32Å; G294-M298 PolarHBondContact O-N 3.49Å; G294-M298 VanDerWaalsContact O-N 3.15Å; S295-M298 WeakPolarHBondContact O-CB 3.39Å; S295-M298 PolarHBondContact O-N 3.4Å; M298-R300 VanDerWaalsContact C-N 3.28Å; M298-R300 PolarHBondContact O-N 3.31Å; M298-V301 WeakPolarHBondContact O-CB 3.25Å; M298-V301 PolarHBondContact O-N 2.69Å; M298-V301 VanDerWaalsContact O-N 3.11Å; M298-M302 PolarHBondContact O-N 3.4Å
299	V	95.7	Very high	94.3	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-39.2	175.3	172.7	0	0	0	0	111.2	F288 P289 S295 K296 V301 M302 R303	F288-V299 HydrophobicContact CD1-CG1 4.44Å; F288-V299 HydrophobicContact CD1-CG2 3.69Å; F288-V299 HydrophobicContact CE1-CG1 3.9Å; F288-V299 HydrophobicContact CE1-CG2 4.01Å; P289-V299 HydrophobicContact CG-CG2 4.15Å; S295-V299 WeakPolarHBondContact O-CG2 3.44Å; S295-V299 PolarHBondContact O-N 3.44Å; K296-V299 PolarHBondContact O-N 3.28Å; V299-V301 VanDerWaalsContact C-N 3.34Å; V299-V301 PolarHBondContact O-N 2.97Å; V299-M302 HydrophobicContact CG1-CE 4.43Å; V299-M302 WeakPolarHBondContact O-CB 3.14Å; V299-M302 PolarHBondContact O-N 2.89Å; V299-R303 WeakPolarHBondContact O-CG 3.46Å; V299-R303 PolarHBondContact O-N 3.5Å
300	R	95.8	Very high	94.5	Very high	117 Å²	117	52.5 Å²	52.5	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-41	174.1	-178.6	-178	-84.2	149.1	-5.2	111.8	K296 E297 M298 R303 K304	K296-R300 PolarHBondContact O-N 2.79Å; E297-R300 WeakPolarHBondContact O-CB 3.31Å; E297-R300 PolarHBondContact O-N 2.88Å; E297-R300 IonicContact OE1-CZ 2.6Å; E297-R300 IonicContact OE1-NH1 3.24Å; E297-R300 PolarHBondContact OE1-NH1 2.85Å; E297-R300 IonicContact OE2-CZ 3.1Å; E297-R300 IonicContact OE2-NH1 2.85Å; E297-R300 PolarHBondContact OE2-NH1 3.17Å; M298-R300 VanDerWaalsContact C-N 3.28Å; M298-R300 PolarHBondContact O-N 3.31Å; R300-R303 PolarHBondContact O-N 2.89Å; R300-K304 HydrophobicContact CG-CD 4.29Å; R300-K304 HydrophobicContact CG-CG 4.47Å; R300-K304 WeakPolarHBondContact O-CB 3.22Å; R300-K304 WeakPolarHBondContact O-CG 3.32Å; R300-K304 PolarHBondContact O-N 2.72Å
301	V	97.4	Very high	94.7	Very high	25 Å²	25	56.9 Å²	56.9	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175.5	173.9	0	0	0	0	111	I267 Y270 L274 E297 M298 V299 R303 K304 K305	I267-V301 HydrophobicContact CG2-CG2 3.82Å; Y270-V301 HydrophobicContact CD1-CB 4.26Å; Y270-V301 HydrophobicContact CD1-CG1 4.18Å; L274-V301 HydrophobicContact CD1-CG1 4.19Å; E297-V301 VanDerWaalsContact O-CG2 3.28Å; E297-V301 WeakPolarHBondContact O-CG2 3.38Å; E297-V301 PolarHBondContact O-N 3.38Å; M298-V301 WeakPolarHBondContact O-CB 3.25Å; M298-V301 PolarHBondContact O-N 2.69Å; M298-V301 VanDerWaalsContact O-N 3.11Å; V299-V301 VanDerWaalsContact C-N 3.34Å; V299-V301 PolarHBondContact O-N 2.97Å; V301-R303 VanDerWaalsContact C-N 3.33Å; V301-R303 PolarHBondContact O-N 3.34Å; V301-K304 PolarHBondContact O-N 2.79Å; V301-K305 HydrophobicContact CG1-CD 4.44Å; V301-K305 PolarHBondContact O-N 2.83Å
302	M	97.4	Very high	95	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-46.4	175.8	-175.8	175.1	70.9	0	0	111.8	Y270 L274 I286 F288 M298 V299 K305 G306 I307 E308 A315	Y270-M302 HydrophobicContact CE1-CB 4.02Å; L274-M302 HydrophobicContact CD1-CB 4.24Å; I286-M302 HydrophobicContact CD1-SD 4.19Å; I286-M302 HydrophobicContact CG2-SD 4.36Å; F288-M302 HydrophobicContact CD1-CE 4.35Å; F288-M302 HydrophobicContact CD2-CE 4.13Å; F288-M302 HydrophobicContact CE1-CE 3.84Å; F288-M302 HydrophobicContact CE2-CE 3.63Å; F288-M302 HydrophobicContact CG-CE 4.49Å; F288-M302 HydrophobicContact CZ-CE 3.45Å; F288-M302 VanDerWaalsContact CZ-CE 3.45Å; M298-M302 PolarHBondContact O-N 3.4Å; V299-M302 HydrophobicContact CG1-CE 4.43Å; V299-M302 WeakPolarHBondContact O-CB 3.14Å; V299-M302 PolarHBondContact O-N 2.89Å; M302-K305 PolarHBondContact O-N 3.33Å; M302-G306 PolarHBondContact O-N 3.32Å; M302-I307 HydrophobicContact CG-CB 3.5Å; M302-I307 VanDerWaalsContact CG-CB 3.5Å; M302-I307 HydrophobicContact CG-CG1 3.94Å; M302-I307 HydrophobicContact CG-CG2 3.66Å; M302-I307 WeakPolarHBondContact O-CB 3.45Å; M302-I307 WeakPolarHBondContact O-CG1 3.46Å; M302-I307 PolarHBondContact O-N 3.45Å; M302-I307 VanDerWaalsContact O-N 3.16Å; M302-I307 HydrophobicContact SD-CG2 4.16Å; M302-E308 HydrophobicContact CE-CG 4.1Å; M302-A315 HydrophobicContact CE-CB 4.41Å; M302-A315 HydrophobicContact SD-CB 4.39Å
303	R	96.8	Very high	95.4	Very high	146 Å²	146	58.2 Å²	58.2	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-65.6	-44.2	177.2	-73.2	174.8	178.8	169.6	1	112.7	V299 R300 V301 K305 G306 E308	V299-R303 WeakPolarHBondContact O-CG 3.46Å; V299-R303 PolarHBondContact O-N 3.5Å; R300-R303 PolarHBondContact O-N 2.89Å; V301-R303 VanDerWaalsContact C-N 3.33Å; V301-R303 PolarHBondContact O-N 3.34Å; R303-K305 PolarHBondContact O-N 3.03Å; R303-G306 PolarHBondContact O-N 3.09Å; R303-E308 WeakPolarHBondContact CG-OE1 3.29Å; R303-E308 IonicContact CZ-OE1 2.91Å; R303-E308 IonicContact NE-OE1 3.65Å; R303-E308 PolarHBondContact NE-OE1 3.04Å; R303-E308 IonicContact NH2-OE1 3.75Å
304	K	97.3	Very high	95.8	Very high	170 Å²	170	63.8 Å²	63.8	74%	0.739	30%	0.299	S	S	*	.	H	α-helix	trans	-59.7	-33.7	176.9	-79.5	179.9	176.7	-177.9	0	112.4	R300 V301 G306	R300-K304 HydrophobicContact CG-CD 4.29Å; R300-K304 HydrophobicContact CG-CG 4.47Å; R300-K304 WeakPolarHBondContact O-CB 3.22Å; R300-K304 WeakPolarHBondContact O-CG 3.32Å; R300-K304 PolarHBondContact O-N 2.72Å; V301-K304 PolarHBondContact O-N 2.79Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.22Å
305	K	96.8	Very high	96.1	Very high	65 Å²	65	64.8 Å²	64.8	28%	0.283	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.3	175	-70	-174.9	179.1	-70.6	0	113.9	G271 L274 D275 V301 M302 R303 I307	G271-K305 VanDerWaalsContact O-CE 3.26Å; G271-K305 WeakPolarHBondContact O-CE 3.39Å; L274-K305 HydrophobicContact CB-CD 3.66Å; L274-K305 HydrophobicContact CD1-CD 3.91Å; L274-K305 HydrophobicContact CG-CD 4.47Å; D275-K305 IonicContact OD1-NZ 3.87Å; D275-K305 PolarHBondContact OD1-NZ 2.98Å; D275-K305 IonicContact OD2-NZ 2.89Å; D275-K305 PolarHBondContact OD2-NZ 3.19Å; V301-K305 HydrophobicContact CG1-CD 4.44Å; V301-K305 PolarHBondContact O-N 2.83Å; M302-K305 PolarHBondContact O-N 3.33Å; R303-K305 PolarHBondContact O-N 3.03Å; K305-I307 VanDerWaalsContact C-N 3.25Å; K305-I307 HydrophobicContact CB-CD1 4.47Å; K305-I307 HydrophobicContact CB-CG1 4.08Å; K305-I307 PolarHBondContact O-N 3.21Å
306	G	97.1	Very high	96.2	Very high	29 Å²	29	65.1 Å²	65.1	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	14.9	176.2	0	0	0	0	0	114.9	M302 R303 K304 E308 Q309 H310	M302-G306 PolarHBondContact O-N 3.32Å; R303-G306 PolarHBondContact O-N 3.09Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.22Å; G306-E308 VanDerWaalsContact C-N 3.33Å; G306-E308 PolarHBondContact O-N 2.61Å; G306-Q309 PolarHBondContact O-N 3.31Å; G306-H310 WeakPolarHBondContact O-CB 3.36Å; G306-H310 PolarHBondContact O-N 3.15Å
307	I	97.7	Very high	96.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.9	-39.6	-171.8	-62.5	-64.8	0	0	0	112.4	L274 I278 I286 M302 K305 Q309 H310 F313	L274-I307 HydrophobicContact CB-CD1 4.46Å; L274-I307 HydrophobicContact CD1-CG1 4.15Å; L274-I307 HydrophobicContact CD2-CD1 4.04Å; L274-I307 HydrophobicContact CD2-CG1 4.01Å; I278-I307 HydrophobicContact CD1-CD1 3.91Å; I278-I307 HydrophobicContact CG1-CD1 4.05Å; I286-I307 HydrophobicContact CG2-CG2 3.86Å; M302-I307 HydrophobicContact CG-CB 3.5Å; M302-I307 VanDerWaalsContact CG-CB 3.5Å; M302-I307 HydrophobicContact CG-CG1 3.94Å; M302-I307 HydrophobicContact CG-CG2 3.66Å; M302-I307 WeakPolarHBondContact O-CB 3.45Å; M302-I307 WeakPolarHBondContact O-CG1 3.46Å; M302-I307 PolarHBondContact O-N 3.45Å; M302-I307 VanDerWaalsContact O-N 3.16Å; M302-I307 HydrophobicContact SD-CG2 4.16Å; K305-I307 VanDerWaalsContact C-N 3.25Å; K305-I307 HydrophobicContact CB-CD1 4.47Å; K305-I307 HydrophobicContact CB-CG1 4.08Å; K305-I307 PolarHBondContact O-N 3.21Å; I307-Q309 PolarHBondContact O-N 2.91Å; I307-H310 PolarHBondContact O-N 3.12Å; I307-F313 HydrophobicContact CD1-CD1 4.21Å; I307-F313 HydrophobicContact CD1-CD2 4.11Å; I307-F313 HydrophobicContact CD1-CE1 4Å; I307-F313 HydrophobicContact CD1-CE2 3.91Å; I307-F313 HydrophobicContact CD1-CG 4.26Å; I307-F313 HydrophobicContact CD1-CZ 3.85Å; I307-F313 HydrophobicContact CG2-CB 3.85Å; I307-F313 HydrophobicContact CG2-CD1 3.76Å; I307-F313 HydrophobicContact CG2-CE1 4.47Å; I307-F313 HydrophobicContact CG2-CG 3.81Å; I307-F313 WeakPolarHBondContact O-CB 3.44Å
308	E	95.1	Very high	96.2	Very high	89 Å²	89	62 Å²	62	42%	0.416	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.3	179.9	-66.5	-170.9	-146.5	0	0	113.1	M302 R303 G306 A315	M302-E308 HydrophobicContact CE-CG 4.1Å; R303-E308 WeakPolarHBondContact CG-OE1 3.29Å; R303-E308 IonicContact CZ-OE1 2.91Å; R303-E308 IonicContact NE-OE1 3.65Å; R303-E308 PolarHBondContact NE-OE1 3.04Å; R303-E308 IonicContact NH2-OE1 3.75Å; G306-E308 VanDerWaalsContact C-N 3.33Å; G306-E308 PolarHBondContact O-N 2.61Å; E308-A315 HydrophobicContact CG-CB 4.04Å
309	Q	95.2	Very high	96.1	Very high	181 Å²	181	62.1 Å²	62.1	85%	0.846	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-106.2	-3.6	-179.3	-62.7	176.4	0.4	0	0	112.5	G306 I307	G306-Q309 PolarHBondContact O-N 3.31Å; I307-Q309 PolarHBondContact O-N 2.91Å
310	H	96.7	Very high	95.9	Very high	51 Å²	51	63 Å²	63	24%	0.236	30%	0.301	C	S	.	.			trans	-77.6	131.3	-173	-168.1	-77.9	0	0	0	111	G306 I307 N312 F313	G306-H310 WeakPolarHBondContact O-CB 3.36Å; G306-H310 PolarHBondContact O-N 3.15Å; I307-H310 PolarHBondContact O-N 3.12Å; H310-N312 PolarHBondContact ND1-N 3.31Å; H310-N312 VanDerWaalsContact ND1-N 3.17Å; H310-N312 PolarHBondContact O-N 3.18Å; H310-F313 HydrophobicContact CB-CB 4.4Å; H310-F313 HydrophobicContact CB-CD2 3.78Å; H310-F313 AromaticContact CG-CD2 3.68Å; H310-F313 AromaticContact ND1-CD2 3.4Å; H310-F313 WeakPolarHBondContact ND1-CD2 3.29Å; H310-F313 AromaticContact ND1-CE2 3.79Å; H310-F313 PolarHBondContact O-N 3.37Å
311	P	94.4	Very high	95.7	Very high	102 Å²	102	59.5 Å²	59.5	66%	0.662	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	-173.4	25.4	-36.1	0	0	0	114.4	R283	R283-P311 PolarHBondContact NH1-O 3.47Å
312	N	95.8	Very high	95.4	Very high	43 Å²	43	61.4 Å²	61.4	23%	0.23	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.6	175.5	-66.2	-29	0	0	0	114.6	N281 R283 T284 H310	N281-N312 PolarHBondContact OD1-ND2 2.93Å; R283-N312 CarbonylContact C-O 3.59Å; R283-N312 WeakPolarHBondContact CA-O 3.13Å; T284-N312 PolarHBondContact N-O 3.31Å; H310-N312 PolarHBondContact ND1-N 3.31Å; H310-N312 VanDerWaalsContact ND1-N 3.17Å; H310-N312 PolarHBondContact O-N 3.18Å
313	F	98.1	Very high	95.3	Very high	11 Å²	11	64.5 Å²	64.5	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.1	179.3	-69	-98.2	0	0	0	111.3	L277 I278 R283 T284 I286 I307 H310	L277-F313 HydrophobicContact CB-CE1 3.91Å; L277-F313 HydrophobicContact CB-CZ 3.7Å; L277-F313 HydrophobicContact CD1-CE1 4.33Å; I278-F313 HydrophobicContact CG1-CE2 3.85Å; I278-F313 HydrophobicContact CG1-CZ 3.97Å; R283-F313 PolarHBondContact NH1-O 3.18Å; R283-F313 VanDerWaalsContact NH1-O 3.08Å; T284-F313 HydrophobicContact CG2-CD1 3.83Å; T284-F313 HydrophobicContact CG2-CE1 3.77Å; T284-F313 CarbonylContact O-C 3.57Å; T284-F313 VanDerWaalsContact O-CA 3.3Å; T284-F313 WeakPolarHBondContact O-CA 2.95Å; I286-F313 HydrophobicContact CG2-CD1 4.25Å; I307-F313 HydrophobicContact CD1-CD1 4.21Å; I307-F313 HydrophobicContact CD1-CD2 4.11Å; I307-F313 HydrophobicContact CD1-CE1 4Å; I307-F313 HydrophobicContact CD1-CE2 3.91Å; I307-F313 HydrophobicContact CD1-CG 4.26Å; I307-F313 HydrophobicContact CD1-CZ 3.85Å; I307-F313 HydrophobicContact CG2-CB 3.85Å; I307-F313 HydrophobicContact CG2-CD1 3.76Å; I307-F313 HydrophobicContact CG2-CE1 4.47Å; I307-F313 HydrophobicContact CG2-CG 3.81Å; I307-F313 WeakPolarHBondContact O-CB 3.44Å; H310-F313 HydrophobicContact CB-CB 4.4Å; H310-F313 HydrophobicContact CB-CD2 3.78Å; H310-F313 AromaticContact CG-CD2 3.68Å; H310-F313 AromaticContact ND1-CD2 3.4Å; H310-F313 WeakPolarHBondContact ND1-CD2 3.29Å; H310-F313 AromaticContact ND1-CE2 3.79Å; H310-F313 PolarHBondContact O-N 3.37Å
314	R	98	Very high	95.2	Very high	117 Å²	117	58.3 Å²	58.3	44%	0.442	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	102.8	164.8	-179	77.1	171.3	166.7	-4.5	107.4	W241 T284 L285 I286 V316	W241-R314 WeakPolarHBondContact O-CD 3.45Å; W241-R314 WeakPolarHBondContact O-CG 3.22Å; T284-R314 PolarHBondContact O-N 3.43Å; L285-R314 HydrophobicContact CD1-CB 4.17Å; L285-R314 HydrophobicContact CD1-CG 4.04Å; I286-R314 PolarHBondContact N-O 3.02Å; R314-V316 HydrophobicContact CG-CG1 3.78Å
315	A	97.2	Very high	95.1	Very high	26 Å²	26	50.3 Å²	50.3	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.2	176.2	0	0	0	0	0	110.3	I286 F288 M302 E308	I286-A315 HydrophobicContact CG2-CB 3.87Å; I286-A315 CarbonylContact O-C 3.5Å; I286-A315 WeakPolarHBondContact O-CA 3.48Å; F288-A315 HydrophobicContact CE2-CB 3.97Å; M302-A315 HydrophobicContact CE-CB 4.41Å; M302-A315 HydrophobicContact SD-CB 4.39Å; E308-A315 HydrophobicContact CG-CB 4.04Å
316	V	96.3	Very high	95.1	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.7	-177.7	-56.8	0	0	0	0	112.2	W241 L285 I286 L287 F288 R314 I319	W241-V316 HydrophobicContact CE3-CG1 3.97Å; W241-V316 HydrophobicContact CZ3-CB 4.34Å; W241-V316 HydrophobicContact CZ3-CG1 3.82Å; L285-V316 HydrophobicContact CD1-CG1 4.13Å; L285-V316 HydrophobicContact CD1-CG2 3.83Å; I286-V316 PolarHBondContact O-N 3.41Å; L287-V316 WeakPolarHBondContact CA-O 3.45Å; L287-V316 HydrophobicContact CD1-CG2 4.45Å; L287-V316 HydrophobicContact CG-CG2 3.89Å; F288-V316 VanDerWaalsContact CD2-O 3.3Å; F288-V316 WeakPolarHBondContact CD2-O 3.21Å; F288-V316 PolarHBondContact N-O 3.29Å; R314-V316 HydrophobicContact CG-CG1 3.78Å; V316-I319 HydrophobicContact CG2-CD1 3.86Å; V316-I319 HydrophobicContact CG2-CG1 3.75Å
317	K	93.5	Very high	95	Very high	61 Å²	61	45.9 Å²	45.9	27%	0.265	23%	0.226	S	C	.	.	S	Bend	trans	-71.8	-44.9	176.6	-69.3	178.7	172.8	-177.5	0	111.4	R55 D88 D89 F288	R55-K317 PolarHBondContact NH1-O 3.5Å; D88-K317 WeakPolarHBondContact O-CD 3.14Å; D88-K317 PolarHBondContact O-NZ 3.24Å; D88-K317 IonicContact OD1-NZ 3.12Å; D88-K317 PolarHBondContact OD1-NZ 2.93Å; D89-K317 WeakPolarHBondContact O-CD 3.48Å; D89-K317 WeakPolarHBondContact O-CE 3.33Å; F288-K317 HydrophobicContact CD1-CG 4.46Å; F288-K317 HydrophobicContact CD2-CG 4.33Å; F288-K317 HydrophobicContact CE2-CG 4.49Å; F288-K317 HydrophobicContact CG-CG 4.3Å
318	H	91.8	Very high	95	Very high	37 Å²	37	45.9 Å²	45.9	17%	0.171	23%	0.226	C	C	.	.			trans	-153.1	155.4	-177.5	173.7	69.6	0	0	0	110.9	R55 T93	R55-H318 WeakPolarHBondContact CD-ND1 3.27Å; T93-H318 HydrophobicContact CG2-CB 3.91Å
319	I	94.1	Very high	95	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.208	C	C	.	.			trans	-132.5	132.3	173.7	-57.6	-178.8	0	0	0	106.7	W241 L285 L287 V316 F321 Q323 F324 L327	W241-I319 HydrophobicContact CD2-CD1 4.36Å; W241-I319 HydrophobicContact CD2-CG1 4.43Å; W241-I319 HydrophobicContact CE3-CD1 4.36Å; W241-I319 HydrophobicContact CE3-CG1 4.25Å; W241-I319 HydrophobicContact CH2-CB 4.49Å; W241-I319 HydrophobicContact CH2-CG1 4.08Å; W241-I319 HydrophobicContact CH2-CG2 4.45Å; W241-I319 HydrophobicContact CZ2-CB 4.34Å; W241-I319 HydrophobicContact CZ2-CG1 4.27Å; W241-I319 HydrophobicContact CZ2-CG2 3.84Å; W241-I319 HydrophobicContact CZ3-CG1 4.07Å; L285-I319 HydrophobicContact CD1-CD1 3.98Å; L285-I319 HydrophobicContact CD2-CD1 3.5Å; L285-I319 HydrophobicContact CG-CD1 4.11Å; L287-I319 HydrophobicContact CD1-CD1 4.43Å; V316-I319 HydrophobicContact CG2-CD1 3.86Å; V316-I319 HydrophobicContact CG2-CG1 3.75Å; I319-F321 PolarHBondContact O-N 2.63Å; I319-Q323 HydrophobicContact CG2-CB 3.98Å; I319-F324 HydrophobicContact CB-CB 4.21Å; I319-F324 HydrophobicContact CD1-CD2 4.32Å; I319-F324 HydrophobicContact CG2-CB 3.96Å; I319-L327 HydrophobicContact CD1-CD1 3.69Å; I319-L327 HydrophobicContact CG2-CD1 3.91Å
320	P	92.3	Very high	95	Very high	38 Å²	38	34.4 Å²	34.4	25%	0.247	17%	0.173	C	C	.	.			trans	-50.7	136.1	174.5	-26.8	35.4	0	0	0	111.1	M96 E322 Q323 F324	M96-P320 HydrophobicContact SD-CB 4.4Å; M96-P320 HydrophobicContact SD-CG 4.22Å; P320-E322 VanDerWaalsContact C-N 3.35Å; P320-E322 PolarHBondContact O-N 2.94Å; P320-Q323 HydrophobicContact CB-CG 4.4Å; P320-Q323 PolarHBondContact O-N 2.88Å; P320-F324 PolarHBondContact O-N 3.39Å
321	F	91.8	Very high	95.1	Very high	43 Å²	43	32 Å²	32	19%	0.189	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-44	-165.5	-176.8	-127.8	0	0	0	112.9	K224 I319 Q323 F324 I325	K224-F321 HydrophobicContact CB-CE1 4.11Å; I319-F321 PolarHBondContact O-N 2.63Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.47Å; F321-F324 WeakPolarHBondContact O-CB 3.35Å; F321-F324 PolarHBondContact O-N 3.36Å; F321-F324 VanDerWaalsContact O-N 3.12Å; F321-I325 HydrophobicContact CD1-CD1 4.16Å; F321-I325 HydrophobicContact CD2-CG1 4.47Å; F321-I325 HydrophobicContact CE1-CD1 3.83Å; F321-I325 HydrophobicContact CE2-CD1 4.36Å; F321-I325 HydrophobicContact CE2-CG1 4.18Å; F321-I325 HydrophobicContact CZ-CD1 3.92Å; F321-I325 HydrophobicContact CZ-CG1 4.19Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 2.92Å
322	E	91	Very high	95.3	Very high	66 Å²	66	27.1 Å²	27.1	31%	0.308	13%	0.13	S	C	.	.	H	α-helix	trans	-62.6	-34.8	178.5	-62.3	-165.1	170.2	0	0	113.5	K224 R231 P320	K224-E322 IonicContact NZ-OE1 3.91Å; K224-E322 PolarHBondContact NZ-OE1 2.92Å; R231-E322 IonicContact NH1-OE2 3.39Å; R231-E322 PolarHBondContact NH1-OE2 3.21Å; P320-E322 VanDerWaalsContact C-N 3.35Å; P320-E322 PolarHBondContact O-N 2.94Å
323	Q	94	Very high	95.4	Very high	64 Å²	64	25 Å²	25	30%	0.299	12%	0.119	S	C	.	.	H	α-helix	trans	-73.5	-38.1	174.9	-63.6	-178.8	21.6	0	0	111.1	I237 I319 P320 F321 I325 Q326 L327	I237-Q323 HydrophobicContact CD1-CG 4.3Å; I237-Q323 HydrophobicContact CG1-CG 4.45Å; I237-Q323 HydrophobicContact CG2-CB 3.85Å; I237-Q323 HydrophobicContact CG2-CG 4.23Å; I319-Q323 HydrophobicContact CG2-CB 3.98Å; P320-Q323 HydrophobicContact CB-CG 4.4Å; P320-Q323 PolarHBondContact O-N 2.88Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.47Å; Q323-I325 VanDerWaalsContact C-N 3.28Å; Q323-I325 PolarHBondContact O-N 3.03Å; Q323-Q326 PolarHBondContact O-N 2.75Å; Q323-L327 WeakPolarHBondContact O-CG 3.5Å; Q323-L327 PolarHBondContact O-N 3.03Å
324	F	95.4	Very high	95.5	Very high	17 Å²	17	24.7 Å²	24.7	8%	0.075	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-36.6	175.1	-179.3	-103.5	0	0	0	112	V253 L287 I319 P320 F321 Q326 L327 L328 C340	V253-F324 HydrophobicContact CG1-CE2 4.06Å; L287-F324 HydrophobicContact CD1-CE2 4.19Å; L287-F324 HydrophobicContact CD2-CD2 4.33Å; L287-F324 HydrophobicContact CD2-CE2 4.06Å; I319-F324 HydrophobicContact CB-CB 4.21Å; I319-F324 HydrophobicContact CD1-CD2 4.32Å; I319-F324 HydrophobicContact CG2-CB 3.96Å; P320-F324 PolarHBondContact O-N 3.39Å; F321-F324 WeakPolarHBondContact O-CB 3.35Å; F321-F324 PolarHBondContact O-N 3.36Å; F321-F324 VanDerWaalsContact O-N 3.12Å; F324-Q326 VanDerWaalsContact C-N 3.34Å; F324-Q326 PolarHBondContact O-N 3.23Å; F324-L327 PolarHBondContact O-N 3.41Å; F324-L328 WeakPolarHBondContact O-CB 3.43Å; F324-L328 PolarHBondContact O-N 2.75Å; F324-C340 HydrophobicContact CE1-CB 4.48Å; F324-C340 VanDerWaalsContact CE1-SG 3.51Å
325	I	95.1	Very high	95.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-56.4	-47.7	173.2	-68.4	173.3	0	0	0	110.8	K224 L225 F321 Q323 L327 L328 S329 F348	K224-I325 HydrophobicContact CB-CD1 4.15Å; L225-I325 HydrophobicContact CD2-CB 4.41Å; L225-I325 HydrophobicContact CD2-CD1 3.89Å; L225-I325 HydrophobicContact CD2-CG1 3.67Å; L225-I325 HydrophobicContact CD2-CG2 4.03Å; L225-I325 HydrophobicContact CG-CD1 4.46Å; F321-I325 HydrophobicContact CD1-CD1 4.16Å; F321-I325 HydrophobicContact CD2-CG1 4.47Å; F321-I325 HydrophobicContact CE1-CD1 3.83Å; F321-I325 HydrophobicContact CE2-CD1 4.36Å; F321-I325 HydrophobicContact CE2-CG1 4.18Å; F321-I325 HydrophobicContact CZ-CD1 3.92Å; F321-I325 HydrophobicContact CZ-CG1 4.19Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 2.92Å; Q323-I325 VanDerWaalsContact C-N 3.28Å; Q323-I325 PolarHBondContact O-N 3.03Å; I325-L327 VanDerWaalsContact C-N 3.35Å; I325-L327 PolarHBondContact O-N 3.11Å; I325-L328 PolarHBondContact O-N 2.66Å; I325-S329 WeakPolarHBondContact O-CB 3.28Å; I325-S329 PolarHBondContact O-N 3.03Å; I325-S329 PolarHBondContact O-OG 2.62Å; I325-F348 HydrophobicContact CG2-CE2 4.08Å; I325-F348 HydrophobicContact CG2-CZ 3.62Å
326	Q	95.4	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.7	-39.4	177.9	-53.9	-48.2	-58.4	0	0	112.1	T228 I237 Q323 F324 L328 S329 H330	T228-Q326 PolarHBondContact O-NE2 3.5Å; I237-Q326 HydrophobicContact CD1-CB 4.32Å; I237-Q326 HydrophobicContact CD1-CG 3.77Å; I237-Q326 HydrophobicContact CG2-CB 4.39Å; Q323-Q326 PolarHBondContact O-N 2.75Å; F324-Q326 VanDerWaalsContact C-N 3.34Å; F324-Q326 PolarHBondContact O-N 3.23Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 PolarHBondContact O-N 3.36Å; Q326-S329 WeakPolarHBondContact CA-OG 3.4Å; Q326-S329 PolarHBondContact O-OG 2.97Å; Q326-S329 VanDerWaalsContact O-OG 3.09Å; Q326-H330 PolarHBondContact O-CD2 2.87Å; Q326-H330 VanDerWaalsContact O-CD2 3.27Å; Q326-H330 PolarHBondContact O-N 3Å
327	L	96.8	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67	-31.1	177.5	-68.3	163	0	0	0	112	I237 I238 W241 L242 Y251 L285 I319 Q323 F324 I325 A331	I237-L327 HydrophobicContact CG2-CG 4.24Å; I238-L327 HydrophobicContact CG1-CD2 4.2Å; W241-L327 HydrophobicContact CB-CD1 4.28Å; W241-L327 HydrophobicContact CB-CD2 4.2Å; W241-L327 HydrophobicContact CG-CD1 3.92Å; L242-L327 HydrophobicContact CD1-CD2 3.84Å; Y251-L327 HydrophobicContact CE2-CD2 4.49Å; Y251-L327 VanDerWaalsContact CE2-O 3.3Å; Y251-L327 WeakPolarHBondContact CE2-O 3.41Å; Y251-L327 VanDerWaalsContact OH-CA 3.3Å; Y251-L327 WeakPolarHBondContact OH-CA 3.4Å; Y251-L327 PolarHBondContact OH-O 3.5Å; L285-L327 HydrophobicContact CD2-CB 4.34Å; L285-L327 HydrophobicContact CD2-CD1 3.78Å; L285-L327 HydrophobicContact CD2-CD2 4.38Å; L285-L327 HydrophobicContact CD2-CG 4.41Å; I319-L327 HydrophobicContact CD1-CD1 3.69Å; I319-L327 HydrophobicContact CG2-CD1 3.91Å; Q323-L327 WeakPolarHBondContact O-CG 3.5Å; Q323-L327 PolarHBondContact O-N 3.03Å; F324-L327 PolarHBondContact O-N 3.41Å; I325-L327 VanDerWaalsContact C-N 3.35Å; I325-L327 PolarHBondContact O-N 3.11Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.69Å
328	L	96.3	Very high	95.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-79.3	-43.7	177.4	-176.6	68.1	0	0	0	111.9	F324 I325 Q326 H330 A331 M334 C340 E344 A345 F348 T350	F324-L328 WeakPolarHBondContact O-CB 3.43Å; F324-L328 PolarHBondContact O-N 2.75Å; I325-L328 PolarHBondContact O-N 2.66Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 PolarHBondContact O-N 3.36Å; L328-H330 PolarHBondContact O-N 3.33Å; L328-A331 PolarHBondContact O-N 3.01Å; L328-M334 HydrophobicContact CD1-CB 4.14Å; L328-M334 HydrophobicContact CD1-CG 4.32Å; L328-M334 HydrophobicContact CD1-SD 3.55Å; L328-M334 VanDerWaalsContact CD1-SD 3.55Å; L328-C340 WeakPolarHBondContact CD2-SG 3.4Å; L328-E344 HydrophobicContact CD2-CB 4.48Å; L328-A345 HydrophobicContact CD1-CB 4.07Å; L328-A345 HydrophobicContact CD2-CB 4.02Å; L328-A345 HydrophobicContact CG-CB 4.21Å; L328-F348 HydrophobicContact CD2-CD2 4.39Å; L328-F348 HydrophobicContact CD2-CE2 4.28Å; L328-F348 HydrophobicContact CG-CD2 4.43Å; L328-T350 WeakPolarHBondContact O-CG2 3.41Å; L328-T350 PolarHBondContact O-OG1 3.09Å
329	S	95.3	Very high	95.9	Very high	5 Å²	5	14.8 Å²	14.8	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-30.9	-177.9	60.3	0	0	0	0	112.7	I325 Q326	I325-S329 WeakPolarHBondContact O-CB 3.28Å; I325-S329 PolarHBondContact O-N 3.03Å; I325-S329 PolarHBondContact O-OG 2.62Å; Q326-S329 WeakPolarHBondContact CA-OG 3.4Å; Q326-S329 PolarHBondContact O-OG 2.97Å; Q326-S329 VanDerWaalsContact O-OG 3.09Å
330	H	96.3	Very high	95.9	Very high	23 Å²	23	14.9 Å²	14.9	11%	0.106	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	11	179.6	-62.8	-85.9	0	0	0	113.6	Y234 I238 E248 N249 Y251 Q326 L328	Y234-H330 AromaticContact CD2-CD2 3.58Å; Y234-H330 AromaticContact CD2-CE1 3.52Å; Y234-H330 AromaticContact CD2-CG 3.8Å; Y234-H330 AromaticContact CD2-ND1 3.75Å; Y234-H330 AromaticContact CD2-NE2 3.44Å; Y234-H330 WeakPolarHBondContact CD2-NE2 3.42Å; Y234-H330 AromaticContact CE2-CE1 3.43Å; Y234-H330 VanDerWaalsContact CE2-CE1 3.43Å; Y234-H330 WeakPolarHBondContact CE2-CE1 3.4Å; Y234-H330 AromaticContact CE2-ND1 3.52Å; Y234-H330 AromaticContact CE2-NE2 3.87Å; Y234-H330 AromaticContact CG-NE2 3.78Å; Y234-H330 AromaticContact CZ-CE1 3.97Å; I238-H330 HydrophobicContact CD1-CB 3.85Å; E248-H330 HydrophobicContact CB-CB 4.12Å; E248-H330 IonicContact OE2-CE1 2.67Å; E248-H330 IonicContact OE2-ND1 3.1Å; E248-H330 PolarHBondContact OE2-ND1 2.96Å; N249-H330 WeakPolarHBondContact CA-O 3.21Å; N249-H330 PolarHBondContact N-O 2.6Å; N249-H330 PolarHBondContact OD1-O 2.74Å; Y251-H330 WeakPolarHBondContact CE1-O 3.33Å; Y251-H330 PolarHBondContact OH-O 3.49Å; Q326-H330 PolarHBondContact O-CD2 2.87Å; Q326-H330 VanDerWaalsContact O-CD2 3.27Å; Q326-H330 PolarHBondContact O-N 3Å; L328-H330 PolarHBondContact O-N 3.33Å
331	A	98.2	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.			trans	-71.5	141.4	177.7	0	0	0	0	0	111.9	Y251 V253 L327 L328 C333 T350 R391	Y251-A331 HydrophobicContact CD2-CB 4.46Å; Y251-A331 HydrophobicContact CE2-CB 3.96Å; V253-A331 HydrophobicContact CG2-CB 3.84Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 2.69Å; L328-A331 PolarHBondContact O-N 3.01Å; A331-C333 VanDerWaalsContact C-N 3.29Å; A331-C333 PolarHBondContact O-N 2.93Å; A331-T350 HydrophobicContact CB-CG2 4.1Å; A331-R391 PolarHBondContact O-NH1 3.3Å; A331-R391 PolarHBondContact O-NH2 3.48Å
332	G	98.5	Very high	96.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-59.7	-42.3	170.4	0	0	0	0	0	111.8	N249 Y251 G389	N249-G332 WeakPolarHBondContact O-CA 3.32Å; Y251-G332 WeakPolarHBondContact O-CA 3.46Å; Y251-G332 PolarHBondContact O-N 3.45Å; G332-G389 PolarHBondContact O-N 3.33Å
333	C	98.8	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	166.1	161.3	65.5	0	0	0	0	110.7	I252 V253 A331 P351 Q387	I252-C333 WeakPolarHBondContact CA-O 3.44Å; V253-C333 PolarHBondContact N-O 3.39Å; V253-C333 VanDerWaalsContact N-O 3.09Å; A331-C333 VanDerWaalsContact C-N 3.29Å; A331-C333 PolarHBondContact O-N 2.93Å; C333-P351 CarbonylContact C-O 3.51Å; C333-P351 VanDerWaalsContact CA-O 3.24Å; C333-P351 WeakPolarHBondContact CA-O 3.41Å; C333-P351 HydrophobicContact CB-CB 3.96Å; C333-P351 WeakPolarHBondContact CB-O 3.41Å; C333-Q387 HydrophobicContact CB-CB 4.45Å
334	M	98.8	Very high	96.6	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.015	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.4	166.1	-179.1	177.3	179.9	0	0	110.1	V253 L255 L328 C340 G341 P351 V352 I353	V253-M334 HydrophobicContact CB-CG 4.49Å; V253-M334 CarbonylContact O-C 3.53Å; V253-M334 VanDerWaalsContact O-CA 3.24Å; V253-M334 WeakPolarHBondContact O-CA 3.41Å; L255-M334 HydrophobicContact CB-CE 4.21Å; L328-M334 HydrophobicContact CD1-CB 4.14Å; L328-M334 HydrophobicContact CD1-CG 4.32Å; L328-M334 HydrophobicContact CD1-SD 3.55Å; L328-M334 VanDerWaalsContact CD1-SD 3.55Å; M334-C340 HydrophobicContact CE-CB 4.1Å; M334-G341 WeakPolarHBondContact SD-CA 3.45Å; M334-P351 PolarHBondContact N-O 2.96Å; M334-V352 HydrophobicContact CB-CG2 4.2Å; M334-V352 CarbonylContact O-C 3.58Å; M334-V352 WeakPolarHBondContact O-CA 3.07Å; M334-I353 PolarHBondContact O-N 2.91Å
335	I	98.8	Very high	96.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140	176	-173.9	166	0	0	0	111.6	I252 V253 A254 L255 M273 L277 I353 L355 I380 L384	I252-I335 HydrophobicContact CG2-CG2 3.69Å; V253-I335 PolarHBondContact O-N 3.44Å; A254-I335 WeakPolarHBondContact CA-O 3.28Å; A254-I335 HydrophobicContact CB-CG2 3.86Å; L255-I335 PolarHBondContact N-O 3.39Å; M273-I335 HydrophobicContact CG-CD1 3.96Å; M273-I335 HydrophobicContact CG-CG1 4.23Å; M273-I335 HydrophobicContact SD-CG1 4.16Å; M273-I335 HydrophobicContact SD-CG2 4.47Å; L277-I335 HydrophobicContact CD1-CG2 4.34Å; L277-I335 HydrophobicContact CD2-CG2 4.18Å; I335-I353 WeakPolarHBondContact CA-O 3.14Å; I335-I353 HydrophobicContact CB-CB 4.23Å; I335-I353 HydrophobicContact CD1-CB 4.3Å; I335-I353 HydrophobicContact CD1-CD1 4.13Å; I335-I353 HydrophobicContact CD1-CG2 4.12Å; I335-I353 HydrophobicContact CG1-CB 3.94Å; I335-I353 HydrophobicContact CG1-CD1 4.5Å; I335-I353 HydrophobicContact CG1-CG2 4.04Å; I335-L355 HydrophobicContact CD1-CD1 4.13Å; I335-L355 HydrophobicContact CG1-CD1 3.93Å; I335-L355 HydrophobicContact CG1-CG 4.21Å; I335-I380 HydrophobicContact CD1-CG2 3.8Å; I335-L384 HydrophobicContact CD1-CD2 3.98Å; I335-L384 HydrophobicContact CD1-CG 4.25Å
336	G	98.4	Very high	96.6	Very high	4 Å²	4	4.8 Å²	4.8	4%	0.041	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-135.6	171.9	0	0	0	0	0	111.5	L255 I353 N354 L355	L255-G336 WeakPolarHBondContact O-CA 3.39Å; G336-I353 PolarHBondContact N-O 3.42Å; G336-N354 CarbonylContact O-C 3.56Å; G336-N354 VanDerWaalsContact O-CA 3.29Å; G336-N354 WeakPolarHBondContact O-CA 3.35Å; G336-L355 PolarHBondContact O-N 3.38Å
337	N	97.6	Very high	96.6	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	4%	0.036	C	C	.	.	S	Bend	trans	-145.5	23.6	178.1	70.8	-2.9	0	0	0	113.2	L255 Q256 H257 L355 R358 Q359	L255-N337 PolarHBondContact O-N 3.3Å; L255-N337 VanDerWaalsContact O-N 3.12Å; Q256-N337 VanDerWaalsContact NE2-CG 3.32Å; Q256-N337 PolarHBondContact NE2-ND2 3.32Å; H257-N337 PolarHBondContact CD2-OD1 3.35Å; H257-N337 PolarHBondContact N-OD1 2.98Å; H257-N337 PolarHBondContact O-ND2 3.32Å; N337-L355 WeakPolarHBondContact CB-O 3.46Å; N337-R358 HydrophobicContact CB-CB 4.14Å; N337-R358 PolarHBondContact O-NH1 3.1Å; N337-Q359 PolarHBondContact O-NE2 2.96Å
338	S	96.2	Very high	96.5	Very high	11 Å²	11	6 Å²	6	8%	0.077	4%	0.039	C	C	.	.			trans	-70	143.3	177	-175.3	0	0	0	0	111.7	L255 C340 G341	L255-S338 WeakPolarHBondContact CD2-OG 3.47Å; S338-C340 PolarHBondContact O-N 3.26Å; S338-C340 PolarHBondContact OG-N 2.81Å; S338-G341 PolarHBondContact O-N 3Å; S338-G341 VanDerWaalsContact O-N 3.08Å
339	S	94.4	Very high	96.4	Very high	28 Å²	28	6 Å²	6	20%	0.196	4%	0.039	C	C	.	.	H	α-helix	trans	-58.6	-29.8	173.7	55.8	0	0	0	0	111.9	G341 V342 R343	S339-G341 VanDerWaalsContact C-N 3.28Å; S339-G341 PolarHBondContact O-N 2.88Å; S339-V342 VanDerWaalsContact O-CG2 3.24Å; S339-V342 WeakPolarHBondContact O-CG2 3.01Å; S339-V342 PolarHBondContact O-N 3.04Å; S339-R343 VanDerWaalsContact O-CB 3.25Å; S339-R343 WeakPolarHBondContact O-CB 3.29Å; S339-R343 VanDerWaalsContact O-CG 3.27Å; S339-R343 WeakPolarHBondContact O-CG 3.29Å; S339-R343 PolarHBondContact O-N 2.91Å
340	C	95.3	Very high	96.6	Very high	6 Å²	6	5.8 Å²	5.8	4%	0.041	4%	0.037	C	C	.	.	H	α-helix	trans	-53.1	-42.1	173.4	167.5	0	0	0	0	112.9	F324 L328 M334 S338 V342 E344 A345	F324-C340 HydrophobicContact CE1-CB 4.48Å; F324-C340 VanDerWaalsContact CE1-SG 3.51Å; L328-C340 WeakPolarHBondContact CD2-SG 3.4Å; M334-C340 HydrophobicContact CE-CB 4.1Å; S338-C340 PolarHBondContact O-N 3.26Å; S338-C340 PolarHBondContact OG-N 2.81Å; C340-V342 PolarHBondContact O-N 3.34Å; C340-E344 WeakPolarHBondContact O-CA 3.26Å; C340-E344 WeakPolarHBondContact O-CB 3.43Å; C340-E344 PolarHBondContact O-N 3.4Å; C340-A345 PolarHBondContact O-N 3.05Å
341	G	96.1	Very high	96.7	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	3%	0.032	C	C	.	.	H	α-helix	trans	-66.1	-39.6	-178.9	0	0	0	0	0	112.5	M334 S338 S339 A345 V352	M334-G341 WeakPolarHBondContact SD-CA 3.45Å; S338-G341 PolarHBondContact O-N 3Å; S338-G341 VanDerWaalsContact O-N 3.08Å; S339-G341 VanDerWaalsContact C-N 3.28Å; S339-G341 PolarHBondContact O-N 2.88Å; G341-A345 WeakPolarHBondContact O-CB 3.48Å; G341-V352 VanDerWaalsContact O-CG2 3.27Å; G341-V352 WeakPolarHBondContact O-CG2 3.48Å
342	V	94.8	Very high	96.7	Very high	5 Å²	5	4.9 Å²	4.9	3%	0.03	3%	0.033	C	C	.	.	H	α-helix	trans	-88.4	-20.7	-175.4	-73.4	0	0	0	0	113.4	S339 C340 N354 Q359 R362 T364 V368	S339-V342 VanDerWaalsContact O-CG2 3.24Å; S339-V342 WeakPolarHBondContact O-CG2 3.01Å; S339-V342 PolarHBondContact O-N 3.04Å; C340-V342 PolarHBondContact O-N 3.34Å; V342-N354 HydrophobicContact CG1-CB 4.42Å; V342-Q359 HydrophobicContact CG1-CB 4.05Å; V342-Q359 HydrophobicContact CG1-CG 4.28Å; V342-Q359 HydrophobicContact CG2-CB 4.02Å; V342-Q359 HydrophobicContact CG2-CG 3.72Å; V342-R362 HydrophobicContact CG2-CG 4.48Å; V342-T364 HydrophobicContact CB-CG2 3.79Å; V342-T364 HydrophobicContact CG1-CG2 3.72Å; V342-V368 HydrophobicContact CG1-CG1 4.07Å; V342-V368 HydrophobicContact CG1-CG2 4.44Å
343	R	96.1	Very high	96.7	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.008	3%	0.033	C	C	.	.	H	α-helix	trans	-111.8	-41.1	-175.9	-57.3	174	74.5	-140.4	-2	114.6	E170 E173 Y222 S339 R362 Y398	E170-R343 IonicContact OE1-CZ 3.74Å; E170-R343 IonicContact OE1-NE 3.71Å; E170-R343 IonicContact OE1-NH1 3.67Å; E170-R343 PolarHBondContact OE1-NH1 3.41Å; E170-R343 IonicContact OE1-NH2 3.85Å; E170-R343 PolarHBondContact OE1-NH2 3.08Å; E170-R343 IonicContact OE2-CZ 3.73Å; E170-R343 IonicContact OE2-NH1 3.32Å; E170-R343 PolarHBondContact OE2-NH1 3.03Å; E170-R343 IonicContact OE2-NH2 2.81Å; E170-R343 PolarHBondContact OE2-NH2 2.85Å; E173-R343 IonicContact OE1-CZ 2.8Å; E173-R343 IonicContact OE1-NE 3.71Å; E173-R343 PolarHBondContact OE1-NE 2.76Å; E173-R343 IonicContact OE1-NH2 2.67Å; E173-R343 PolarHBondContact OE1-NH2 3.24Å; E173-R343 IonicContact OE2-CZ 2.83Å; E173-R343 IonicContact OE2-NE 2.95Å; E173-R343 PolarHBondContact OE2-NE 3.23Å; E173-R343 IonicContact OE2-NH2 3.99Å; Y222-R343 WeakPolarHBondContact CE2-O 3.41Å; Y222-R343 PolarHBondContact OH-O 3.25Å; S339-R343 VanDerWaalsContact O-CB 3.25Å; S339-R343 WeakPolarHBondContact O-CB 3.29Å; S339-R343 VanDerWaalsContact O-CG 3.27Å; S339-R343 WeakPolarHBondContact O-CG 3.29Å; S339-R343 PolarHBondContact O-N 2.91Å; R343-R362 VanDerWaalsContact CD-NH1 3.27Å; R343-Y398 HydrophobicContact CB-CD1 4.38Å; R343-Y398 HydrophobicContact CB-CD2 3.88Å; R343-Y398 HydrophobicContact CB-CE1 4.45Å; R343-Y398 HydrophobicContact CB-CE2 3.97Å; R343-Y398 HydrophobicContact CB-CG 4.11Å; R343-Y398 HydrophobicContact CG-CD1 4.23Å; R343-Y398 HydrophobicContact CG-CD2 4.21Å; R343-Y398 HydrophobicContact CG-CE1 3.86Å; R343-Y398 HydrophobicContact CG-CE2 3.86Å; R343-Y398 HydrophobicContact CG-CG 4.4Å; R343-Y398 WeakPolarHBondContact O-CD2 3.38Å
344	E	96.4	Very high	96.7	Very high	6 Å²	6	5 Å²	5	3%	0.028	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-41.7	-166.4	-61.3	173.3	-172.6	0	0	111.2	K60 S221 L225 L328 C340 G346 A347	K60-E344 IonicContact NZ-OE1 3.49Å; K60-E344 PolarHBondContact NZ-OE1 3.12Å; S221-E344 PolarHBondContact OG-OE1 3.26Å; L225-E344 HydrophobicContact CD1-CB 3.83Å; L225-E344 HydrophobicContact CD1-CG 3.94Å; L225-E344 HydrophobicContact CD2-CB 4.5Å; L328-E344 HydrophobicContact CD2-CB 4.48Å; C340-E344 WeakPolarHBondContact O-CA 3.26Å; C340-E344 WeakPolarHBondContact O-CB 3.43Å; C340-E344 PolarHBondContact O-N 3.4Å; E344-G346 PolarHBondContact O-N 2.64Å; E344-G346 VanDerWaalsContact O-N 3.11Å; E344-A347 VanDerWaalsContact O-CB 3.27Å; E344-A347 WeakPolarHBondContact O-CB 3.39Å; E344-A347 PolarHBondContact O-N 2.72Å
345	A	96.6	Very high	96.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.2	-179	0	0	0	0	0	113.5	L328 C340 G341 A347 F348 G349 T350 V352	L328-A345 HydrophobicContact CD1-CB 4.07Å; L328-A345 HydrophobicContact CD2-CB 4.02Å; L328-A345 HydrophobicContact CG-CB 4.21Å; C340-A345 PolarHBondContact O-N 3.05Å; G341-A345 WeakPolarHBondContact O-CB 3.48Å; A345-A347 PolarHBondContact O-N 3.35Å; A345-F348 PolarHBondContact O-N 2.94Å; A345-G349 PolarHBondContact O-N 3.03Å; A345-T350 PolarHBondContact O-N 3.32Å; A345-V352 HydrophobicContact CB-CG2 3.63Å
346	G	94.3	Very high	96.4	Very high	3 Å²	3	5 Å²	5	3%	0.031	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34	174.4	0	0	0	0	0	112.9	E344 F348 G349 G394 S395	E344-G346 PolarHBondContact O-N 2.64Å; E344-G346 VanDerWaalsContact O-N 3.11Å; G346-F348 PolarHBondContact O-N 3.23Å; G346-F348 VanDerWaalsContact O-N 3.08Å; G346-G349 PolarHBondContact O-N 3.4Å; G346-G349 VanDerWaalsContact O-N 3.07Å; G346-G394 CarbonylContact O-C 3.58Å; G346-G394 WeakPolarHBondContact O-CA 3.31Å; G346-S395 WeakPolarHBondContact CA-OG 3.39Å; G346-S395 PolarHBondContact O-N 3.04Å; G346-S395 PolarHBondContact O-OG 3.43Å
347	A	94.8	Very high	96	Very high	15 Å²	15	8.2 Å²	8.2	12%	0.124	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-57	-28.8	178.4	0	0	0	0	0	113.1	Y222 E344 A345 S395	Y222-A347 HydrophobicContact CE1-CB 3.93Å; E344-A347 VanDerWaalsContact O-CB 3.27Å; E344-A347 WeakPolarHBondContact O-CB 3.39Å; E344-A347 PolarHBondContact O-N 2.72Å; A345-A347 PolarHBondContact O-N 3.35Å; A347-S395 VanDerWaalsContact CA-O 3.28Å; A347-S395 WeakPolarHBondContact CA-O 3.39Å; A347-S395 PolarHBondContact N-O 3.39Å
348	F	94.3	Very high	95.8	Very high	12 Å²	12	9 Å²	9	5%	0.053	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-104.6	-4.9	-176.9	-48.2	-44.2	0	0	0	113.3	L225 Y229 I325 L328 A345 G346 T350	L225-F348 HydrophobicContact CB-CE1 4.35Å; L225-F348 HydrophobicContact CB-CZ 3.93Å; L225-F348 HydrophobicContact CD2-CE2 3.68Å; L225-F348 HydrophobicContact CD2-CZ 3.38Å; L225-F348 HydrophobicContact CG-CZ 4.21Å; Y229-F348 AromaticContact CD2-CD1 3.06Å; Y229-F348 HydrophobicContact CD2-CD1 3.06Å; Y229-F348 AromaticContact CD2-CE1 3.25Å; Y229-F348 HydrophobicContact CD2-CE1 3.25Å; Y229-F348 HydrophobicContact CD2-CG 4.02Å; Y229-F348 HydrophobicContact CD2-CZ 4.3Å; Y229-F348 HydrophobicContact CE2-CB 3.91Å; Y229-F348 AromaticContact CE2-CD1 3.17Å; Y229-F348 HydrophobicContact CE2-CD1 3.17Å; Y229-F348 AromaticContact CE2-CE1 3.89Å; Y229-F348 HydrophobicContact CE2-CE1 3.89Å; Y229-F348 AromaticContact CE2-CG 3.79Å; Y229-F348 HydrophobicContact CE2-CG 3.79Å; Y229-F348 HydrophobicContact CG-CD1 4.03Å; Y229-F348 AromaticContact CG-CE1 3.98Å; Y229-F348 HydrophobicContact CG-CE1 3.98Å; I325-F348 HydrophobicContact CG2-CE2 4.08Å; I325-F348 HydrophobicContact CG2-CZ 3.62Å; L328-F348 HydrophobicContact CD2-CD2 4.39Å; L328-F348 HydrophobicContact CD2-CE2 4.28Å; L328-F348 HydrophobicContact CG-CD2 4.43Å; A345-F348 PolarHBondContact O-N 2.94Å; G346-F348 PolarHBondContact O-N 3.23Å; G346-F348 VanDerWaalsContact O-N 3.08Å; F348-T350 PolarHBondContact O-N 3.07Å
349	G	95.6	Very high	95.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	20.7	-171.9	0	0	0	0	0	113.6	A345 G346 Y392	A345-G349 PolarHBondContact O-N 3.03Å; G346-G349 PolarHBondContact O-N 3.4Å; G346-G349 VanDerWaalsContact O-N 3.07Å; G349-Y392 VanDerWaalsContact CA-O 3.26Å; G349-Y392 WeakPolarHBondContact CA-O 3.31Å; G349-Y392 PolarHBondContact O-N 2.76Å
350	T	97.8	Very high	95.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.			trans	-68.4	126.8	179.4	-60.3	0	0	0	0	109.5	L328 A331 A345 F348 N367	L328-T350 WeakPolarHBondContact O-CG2 3.41Å; L328-T350 PolarHBondContact O-OG1 3.09Å; A331-T350 HydrophobicContact CB-CG2 4.1Å; A345-T350 PolarHBondContact O-N 3.32Å; F348-T350 PolarHBondContact O-N 3.07Å; T350-N367 PolarHBondContact O-ND2 3.14Å
351	P	98.6	Very high	94.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.08	C	C	.	.			trans	-61.1	137.8	175.5	-22.9	33.2	0	0	0	112.2	C333 M334 Q387 K390 R391 Y392	C333-P351 CarbonylContact C-O 3.51Å; C333-P351 VanDerWaalsContact CA-O 3.24Å; C333-P351 WeakPolarHBondContact CA-O 3.41Å; C333-P351 HydrophobicContact CB-CB 3.96Å; C333-P351 WeakPolarHBondContact CB-O 3.41Å; M334-P351 PolarHBondContact N-O 2.96Å; P351-Q387 HydrophobicContact CB-CB 4.04Å; P351-Q387 VanDerWaalsContact CB-O 3.27Å; P351-Q387 WeakPolarHBondContact CB-O 3.49Å; P351-Q387 WeakPolarHBondContact CG-O 3.34Å; P351-K390 HydrophobicContact CB-CB 4.48Å; P351-K390 VanDerWaalsContact CD-O 3.31Å; P351-K390 WeakPolarHBondContact CD-O 3.47Å; P351-K390 HydrophobicContact CG-CB 3.74Å; P351-K390 WeakPolarHBondContact CG-O 3.3Å; P351-R391 VanDerWaalsContact CD-NH1 3.34Å; P351-Y392 HydrophobicContact CB-CD2 4.38Å; P351-Y392 HydrophobicContact CB-CE2 3.93Å; P351-Y392 HydrophobicContact CG-CD2 4.1Å; P351-Y392 HydrophobicContact CG-CE2 3.94Å
352	V	98.8	Very high	94.8	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.024	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.5	-176.9	173.3	0	0	0	0	110.4	M334 G341 A345 N367 V368 L369 Q387	M334-V352 HydrophobicContact CB-CG2 4.2Å; M334-V352 CarbonylContact O-C 3.58Å; M334-V352 WeakPolarHBondContact O-CA 3.07Å; G341-V352 VanDerWaalsContact O-CG2 3.27Å; G341-V352 WeakPolarHBondContact O-CG2 3.48Å; A345-V352 HydrophobicContact CB-CG2 3.63Å; V352-N367 PolarHBondContact N-O 3.47Å; V352-V368 HydrophobicContact CB-CG1 4.5Å; V352-V368 HydrophobicContact CB-CG2 4.15Å; V352-V368 HydrophobicContact CG1-CG1 4.15Å; V352-V368 HydrophobicContact CG1-CG2 4.35Å; V352-L369 PolarHBondContact O-N 3.21Å; V352-Q387 PolarHBondContact O-NE2 3.21Å
353	I	98.7	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.5	169.1	-58.8	163	0	0	0	107.4	M334 I335 G336 L355 L369 V371 A383 L384 Q387	M334-I353 PolarHBondContact O-N 2.91Å; I335-I353 WeakPolarHBondContact CA-O 3.14Å; I335-I353 HydrophobicContact CB-CB 4.23Å; I335-I353 HydrophobicContact CD1-CB 4.3Å; I335-I353 HydrophobicContact CD1-CD1 4.13Å; I335-I353 HydrophobicContact CD1-CG2 4.12Å; I335-I353 HydrophobicContact CG1-CB 3.94Å; I335-I353 HydrophobicContact CG1-CD1 4.5Å; I335-I353 HydrophobicContact CG1-CG2 4.04Å; G336-I353 PolarHBondContact N-O 3.42Å; I353-L355 HydrophobicContact CG2-CD2 3.63Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; I353-L369 CarbonylContact C-O 3.51Å; I353-L369 WeakPolarHBondContact CA-O 2.84Å; I353-V371 HydrophobicContact CG2-CG2 4.08Å; I353-A383 HydrophobicContact CD1-CB 4.17Å; I353-A383 WeakPolarHBondContact CD1-O 3.49Å; I353-A383 HydrophobicContact CG1-CB 4.35Å; I353-A383 HydrophobicContact CG2-CB 3.97Å; I353-L384 HydrophobicContact CD1-CB 4.45Å; I353-L384 HydrophobicContact CD1-CD2 3.7Å; I353-L384 HydrophobicContact CD1-CG 4.01Å; I353-Q387 HydrophobicContact CD1-CB 4.08Å; I353-Q387 HydrophobicContact CD1-CG 4.43Å; I353-Q387 HydrophobicContact CG1-CB 3.89Å; I353-Q387 HydrophobicContact CG1-CG 3.78Å
354	N	98.4	Very high	94.4	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.5	178.7	-174.8	81.9	0	0	0	110.8	G336 V342 R358 Q359 V368 L369 H370 V371	G336-N354 CarbonylContact O-C 3.56Å; G336-N354 VanDerWaalsContact O-CA 3.29Å; G336-N354 WeakPolarHBondContact O-CA 3.35Å; V342-N354 HydrophobicContact CG1-CB 4.42Å; N354-R358 PolarHBondContact ND2-O 3.45Å; N354-R358 VanDerWaalsContact ND2-O 3.12Å; N354-Q359 WeakPolarHBondContact OD1-CG 3.24Å; N354-V368 HydrophobicContact CB-CG1 4.05Å; N354-L369 PolarHBondContact N-O 3.11Å; N354-H370 PolarHBondContact ND2-ND1 2.67Å; N354-H370 WeakPolarHBondContact O-CA 3.32Å; N354-V371 PolarHBondContact O-N 3.28Å
355	L	97.3	Very high	94	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.9	-173.8	-56.4	-176.8	0	0	0	112.4	I269 M273 I335 G336 N337 I353 V371 A374 I380	I269-L355 HydrophobicContact CG2-CB 4.13Å; I269-L355 HydrophobicContact CG2-CD1 4.25Å; M273-L355 HydrophobicContact CB-CD1 3.93Å; M273-L355 HydrophobicContact CG-CD1 3.72Å; M273-L355 HydrophobicContact SD-CD1 3.78Å; I335-L355 HydrophobicContact CD1-CD1 4.13Å; I335-L355 HydrophobicContact CG1-CD1 3.93Å; I335-L355 HydrophobicContact CG1-CG 4.21Å; G336-L355 PolarHBondContact O-N 3.38Å; N337-L355 WeakPolarHBondContact CB-O 3.46Å; I353-L355 HydrophobicContact CG2-CD2 3.63Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; L355-V371 WeakPolarHBondContact CA-O 3.48Å; L355-V371 HydrophobicContact CD2-CB 3.85Å; L355-V371 HydrophobicContact CD2-CG1 4.46Å; L355-V371 HydrophobicContact CD2-CG2 4.31Å; L355-A374 HydrophobicContact CB-CB 4.46Å; L355-A374 HydrophobicContact CD2-CB 4.19Å; L355-I380 HydrophobicContact CD1-CG2 4.5Å; L355-I380 HydrophobicContact CD2-CG1 4.43Å
356	G	94.3	Very high	93.9	Very high	3 Å²	3	23.4 Å²	23.4	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	80.4	-163.1	173.1	0	0	0	0	0	113.9	V371 R372	G356-V371 PolarHBondContact N-O 3.03Å; G356-R372 VanDerWaalsContact CA-O 3.31Å; G356-R372 WeakPolarHBondContact CA-O 3.46Å
357	T	89.8	Confident	94.1	Very high	71 Å²	71	23.4 Å²	23.4	44%	0.436	14%	0.141	S	C	.	.	S	Bend	trans	-82.7	-28.9	-174.3	52.1	0	0	0	0	113.5	Q359 T360	T357-Q359 PolarHBondContact O-N 2.67Å; T357-T360 WeakPolarHBondContact O-CB 2.86Å; T357-T360 PolarHBondContact O-N 2.88Å; T357-T360 PolarHBondContact O-OG1 3.26Å
358	R	92.6	Very high	94.2	Very high	17 Å²	17	23.6 Å²	23.6	6%	0.064	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	138.2	177.9	-169.5	175.8	-169.3	-112.2	3.4	110.7	T177 D179 H257 V259 N337 N354 T360	T177-R358 HydrophobicContact CG2-CB 3.86Å; T177-R358 HydrophobicContact CG2-CG 3.86Å; D179-R358 IonicContact OD2-NE 2.84Å; D179-R358 IonicContact OD2-NH2 3.94Å; H257-R358 PolarHBondContact CD2-NH1 2.81Å; V259-R358 HydrophobicContact CG2-CB 4.01Å; N337-R358 HydrophobicContact CB-CB 4.14Å; N337-R358 PolarHBondContact O-NH1 3.1Å; N354-R358 PolarHBondContact ND2-O 3.45Å; N354-R358 VanDerWaalsContact ND2-O 3.12Å; R358-T360 VanDerWaalsContact C-N 3.35Å
359	Q	92.8	Very high	94.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	10	-170.2	-40.1	-53.9	-19.5	0	0	115.5	S175 N337 V342 N354 T357 G361 R362	S175-Q359 VanDerWaalsContact O-CA 3.31Å; S175-Q359 WeakPolarHBondContact O-CA 3.33Å; S175-Q359 PolarHBondContact O-N 3.04Å; N337-Q359 PolarHBondContact O-NE2 2.96Å; V342-Q359 HydrophobicContact CG1-CB 4.05Å; V342-Q359 HydrophobicContact CG1-CG 4.28Å; V342-Q359 HydrophobicContact CG2-CB 4.02Å; V342-Q359 HydrophobicContact CG2-CG 3.72Å; N354-Q359 WeakPolarHBondContact OD1-CG 3.24Å; T357-Q359 PolarHBondContact O-N 2.67Å; Q359-G361 PolarHBondContact O-N 2.7Å; Q359-R362 WeakPolarHBondContact O-CB 3.5Å; Q359-R362 PolarHBondContact O-N 2.97Å
360	T	89.1	Confident	94.3	Very high	42 Å²	42	28.7 Å²	28.7	26%	0.258	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	131.4	172.5	-62.3	0	0	0	0	110.2	S175 G176 T357 R358 R362	S175-T360 CarbonylContact C-O 3.44Å; S175-T360 PolarHBondContact O-N 3.33Å; G176-T360 PolarHBondContact N-O 3.28Å; T357-T360 WeakPolarHBondContact O-CB 2.86Å; T357-T360 PolarHBondContact O-N 2.88Å; T357-T360 PolarHBondContact O-OG1 3.26Å; R358-T360 VanDerWaalsContact C-N 3.35Å; T360-R362 VanDerWaalsContact C-N 3.32Å
361	G	86.9	Confident	94	Very high	54 Å²	54	29.6 Å²	29.6	56%	0.557	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-8.3	-178.8	0	0	0	0	0	114.5	Q359	Q359-G361 PolarHBondContact O-N 2.7Å
362	R	92.1	Very high	93.5	Very high	16 Å²	16	36.4 Å²	36.4	6%	0.06	20%	0.197	C	C	.	.			trans	-73.4	142.6	175.9	-172.6	173.3	-76.9	-76.3	3.8	111.8	E173 V174 V342 R343 Q359 T360 T364 Y398	E173-R362 IonicContact OE2-CZ 2.89Å; E173-R362 IonicContact OE2-NH1 3.46Å; E173-R362 PolarHBondContact OE2-NH1 3.34Å; E173-R362 IonicContact OE2-NH2 3.67Å; E173-R362 PolarHBondContact OE2-NH2 3.04Å; V174-R362 WeakPolarHBondContact O-CA 3.21Å; V174-R362 VanDerWaalsContact O-CB 3.3Å; V174-R362 WeakPolarHBondContact O-CB 3.34Å; V342-R362 HydrophobicContact CG2-CG 4.48Å; R343-R362 VanDerWaalsContact CD-NH1 3.27Å; Q359-R362 WeakPolarHBondContact O-CB 3.5Å; Q359-R362 PolarHBondContact O-N 2.97Å; T360-R362 VanDerWaalsContact C-N 3.32Å; R362-T364 PolarHBondContact O-N 3.31Å; R362-Y398 WeakPolarHBondContact CG-OH 3.49Å
363	E	91.6	Very high	92.9	Very high	52 Å²	52	41.7 Å²	41.7	24%	0.243	23%	0.226	C	C	.	.			trans	-64.7	129.9	172.6	-63.5	172	86.2	0	0	110.7	T197 M199 I397 Y398	T197-E363 VanDerWaalsContact CB-OE2 3.28Å; T197-E363 WeakPolarHBondContact CB-OE2 3.13Å; T197-E363 WeakPolarHBondContact CG2-OE2 3.3Å; T197-E363 PolarHBondContact OG1-OE2 3.07Å; M199-E363 WeakPolarHBondContact CB-OE2 3.38Å; M199-E363 HydrophobicContact CE-CG 4.11Å; M199-E363 HydrophobicContact SD-CG 3.6Å; E363-I397 HydrophobicContact CB-CG2 4.08Å; E363-Y398 PolarHBondContact N-OH 3.39Å; E363-Y398 WeakPolarHBondContact O-CE2 3.5Å; E363-Y398 PolarHBondContact O-OH 2.95Å
364	T	92.8	Very high	92.4	Very high	47 Å²	47	41.7 Å²	41.7	29%	0.288	23%	0.226	S	C	.	.			trans	-136.8	152.3	-179	56	0	0	0	0	111.7	V342 R362 V368	V342-T364 HydrophobicContact CB-CG2 3.79Å; V342-T364 HydrophobicContact CG1-CG2 3.72Å; R362-T364 PolarHBondContact O-N 3.31Å; T364-V368 HydrophobicContact CG2-CB 4.28Å; T364-V368 HydrophobicContact CG2-CG1 4.27Å; T364-V368 HydrophobicContact CG2-CG2 4.03Å
365	G	87.9	Confident	91.9	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	24%	0.241	C	C	.	.			trans	-83.2	174.9	169.3	0	0	0	0	0	112.3	N367 V368	G365-N367 PolarHBondContact O-N 2.81Å; G365-V368 PolarHBondContact O-N 3.44Å
366	E	93.7	Very high	91.6	Very high	136 Å²	136	47.4 Å²	47.4	64%	0.636	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.8	177.9	60	176	-125.6	0	0	114.4	V368 Y392 P393	E366-V368 PolarHBondContact O-N 3.02Å; E366-Y392 HydrophobicContact CB-CD1 4.43Å; E366-Y392 HydrophobicContact CG-CD1 3.86Å; E366-Y392 HydrophobicContact CG-CG 4.5Å; E366-Y392 WeakPolarHBondContact O-CE1 3.31Å; E366-P393 WeakPolarHBondContact OE1-CD 3.38Å
367	N	97.5	Very high	91.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.2	178.9	71	-61.9	0	0	0	113.9	T350 V352 G365 Q387 Y392	T350-N367 PolarHBondContact O-ND2 3.14Å; V352-N367 PolarHBondContact N-O 3.47Å; G365-N367 PolarHBondContact O-N 2.81Å; N367-Q387 PolarHBondContact O-NE2 3.34Å; N367-Y392 HydrophobicContact CB-CD2 3.64Å; N367-Y392 HydrophobicContact CB-CE2 4.34Å; N367-Y392 HydrophobicContact CB-CG 3.75Å
368	V	97.7	Very high	91.8	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122	-174.4	-174.1	0	0	0	0	112	V342 V352 N354 T364 G365 E366	V342-V368 HydrophobicContact CG1-CG1 4.07Å; V342-V368 HydrophobicContact CG1-CG2 4.44Å; V352-V368 HydrophobicContact CB-CG1 4.5Å; V352-V368 HydrophobicContact CB-CG2 4.15Å; V352-V368 HydrophobicContact CG1-CG1 4.15Å; V352-V368 HydrophobicContact CG1-CG2 4.35Å; N354-V368 HydrophobicContact CB-CG1 4.05Å; T364-V368 HydrophobicContact CG2-CB 4.28Å; T364-V368 HydrophobicContact CG2-CG1 4.27Å; T364-V368 HydrophobicContact CG2-CG2 4.03Å; G365-V368 PolarHBondContact O-N 3.44Å; E366-V368 PolarHBondContact O-N 3.02Å
369	L	96.4	Very high	91.8	Very high	57 Å²	57	55.7 Å²	55.7	30%	0.298	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.7	169.3	178.8	63.4	0	0	0	109.6	V352 I353 N354 A383 L386 Q387	V352-L369 PolarHBondContact O-N 3.21Å; I353-L369 CarbonylContact C-O 3.51Å; I353-L369 WeakPolarHBondContact CA-O 2.84Å; N354-L369 PolarHBondContact N-O 3.11Å; L369-A383 HydrophobicContact CD2-CB 3.97Å; L369-L386 HydrophobicContact CD2-CB 4.4Å; L369-L386 HydrophobicContact CD2-CD1 4.35Å; L369-Q387 HydrophobicContact CB-CG 3.92Å; L369-Q387 VanDerWaalsContact CB-NE2 3.3Å; L369-Q387 HydrophobicContact CD2-CG 3.83Å
370	H	95	Very high	92	Very high	62 Å²	62	55.6 Å²	55.6	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.9	177	-62.6	-83.7	0	0	0	111.4	N354	N354-H370 PolarHBondContact ND2-ND1 2.67Å; N354-H370 WeakPolarHBondContact O-CA 3.32Å
371	V	92	Very high	92.4	Very high	20 Å²	20	57 Å²	57	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	81	170.1	-171.2	0	0	0	0	107.3	I353 N354 L355 G356 A374 A383	I353-V371 HydrophobicContact CG2-CG2 4.08Å; N354-V371 PolarHBondContact O-N 3.28Å; L355-V371 WeakPolarHBondContact CA-O 3.48Å; L355-V371 HydrophobicContact CD2-CB 3.85Å; L355-V371 HydrophobicContact CD2-CG1 4.46Å; L355-V371 HydrophobicContact CD2-CG2 4.31Å; G356-V371 PolarHBondContact N-O 3.03Å; V371-A374 HydrophobicContact CG1-CB 4.1Å; V371-A383 HydrophobicContact CG2-CB 3.78Å
372	R	88.3	Confident	92.8	Very high	142 Å²	142	59.1 Å²	59.1	54%	0.536	29%	0.291	S	S	.	.	S	Bend	trans	-64.2	-51.6	-175.5	-64.7	-176.7	-178.1	171.8	1.2	111	G356 A374	G356-R372 VanDerWaalsContact CA-O 3.31Å; G356-R372 WeakPolarHBondContact CA-O 3.46Å; R372-A374 VanDerWaalsContact C-N 3.34Å; R372-A374 PolarHBondContact O-N 3.43Å; R372-A374 VanDerWaalsContact O-N 3.16Å
373	D	85.6	Confident	92.9	Very high	116 Å²	116	58.5 Å²	58.5	62%	0.62	29%	0.289	S	S	*	.			trans	-91.1	68.6	176.6	-58.5	-37.4	0	0	0	110.8	D375 K379	D373-D375 PolarHBondContact O-N 3.03Å; D373-K379 WeakPolarHBondContact O-CD 3.41Å; D373-K379 PolarHBondContact O-NZ 3.29Å
374	A	89.2	Confident	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.			trans	-75.3	54.5	174.8	0	0	0	0	0	111.6	I269 L272 L355 V371 R372 I380	I269-A374 HydrophobicContact CG1-CB 4.24Å; I269-A374 HydrophobicContact CG2-CB 4.12Å; L272-A374 WeakPolarHBondContact CD1-O 3.43Å; L355-A374 HydrophobicContact CB-CB 4.46Å; L355-A374 HydrophobicContact CD2-CB 4.19Å; V371-A374 HydrophobicContact CG1-CB 4.1Å; R372-A374 VanDerWaalsContact C-N 3.34Å; R372-A374 PolarHBondContact O-N 3.43Å; R372-A374 VanDerWaalsContact O-N 3.16Å; A374-I380 HydrophobicContact CB-CD1 4.07Å; A374-I380 HydrophobicContact CB-CG1 4.08Å
375	D	87.8	Confident	93.5	Very high	63 Å²	63	58.8 Å²	58.8	34%	0.337	29%	0.287	S	S	.	.			trans	-86.5	-11.5	-170	63.3	-2.5	0	0	0	114.9	L272 D373 K379	L272-D375 VanDerWaalsContact CD1-C 3.42Å; L272-D375 WeakPolarHBondContact CD1-O 3.44Å; D373-D375 PolarHBondContact O-N 3.03Å; D375-K379 VanDerWaalsContact OD1-CD 3.3Å; D375-K379 WeakPolarHBondContact OD1-CD 3.34Å; D375-K379 VanDerWaalsContact OD1-CE 3.29Å; D375-K379 WeakPolarHBondContact OD1-CE 3.39Å; D375-K379 IonicContact OD1-NZ 3.07Å; D375-K379 PolarHBondContact OD1-NZ 3.35Å; D375-K379 IonicContact OD2-NZ 3.14Å; D375-K379 PolarHBondContact OD2-NZ 3.4Å
376	T	90.8	Very high	93.8	Very high	59 Å²	59	61.5 Å²	61.5	36%	0.362	30%	0.297	S	S	.	.	S	Bend	trans	-140.5	149	-174.9	52.9	0	0	0	0	111.5	N378 K379	T376-N378 VanDerWaalsContact C-N 3.34Å; T376-N378 PolarHBondContact O-N 3.46Å; T376-K379 PolarHBondContact O-N 3.17Å; T376-K379 WeakPolarHBondContact OG1-CG 3.36Å
377	H	96.4	Very high	94	Very high	48 Å²	48	55.1 Å²	55.1	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-47.7	174.8	173.9	100	0	0	0	111.8	L272 D275 A276 S279 K379 I380 Y381	L272-H377 HydrophobicContact CD2-CB 4.38Å; D275-H377 VanDerWaalsContact C-CE1 3.42Å; D275-H377 WeakPolarHBondContact CB-ND1 3.26Å; D275-H377 PolarHBondContact O-CE1 3.35Å; D275-H377 VanDerWaalsContact O-CE1 3.32Å; A276-H377 VanDerWaalsContact CA-CE1 3.41Å; A276-H377 WeakPolarHBondContact CA-CE1 3.4Å; A276-H377 PolarHBondContact N-CE1 3.03Å; A276-H377 PolarHBondContact N-ND1 3.49Å; S279-H377 PolarHBondContact OG-CE1 3.29Å; S279-H377 VanDerWaalsContact OG-CE1 3.24Å; H377-K379 VanDerWaalsContact C-N 3.33Å; H377-K379 PolarHBondContact O-N 3.04Å; H377-I380 PolarHBondContact O-N 3.05Å; H377-I380 VanDerWaalsContact O-N 3.16Å; H377-Y381 WeakPolarHBondContact O-CB 3.41Å; H377-Y381 PolarHBondContact O-N 3.31Å
378	N	91.5	Very high	94	Very high	126 Å²	126	56.8 Å²	56.8	67%	0.674	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-36.8	-174	-68.4	-7.7	0	0	0	112.9	T376 Y381 H382	T376-N378 VanDerWaalsContact C-N 3.34Å; T376-N378 PolarHBondContact O-N 3.46Å; N378-Y381 PolarHBondContact O-N 3.12Å; N378-H382 VanDerWaalsContact O-CB 3.26Å; N378-H382 WeakPolarHBondContact O-CB 3.49Å; N378-H382 PolarHBondContact O-N 3.22Å
379	K	92.1	Very high	93.9	Very high	91 Å²	91	57.9 Å²	57.9	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-45	176	-77.4	-178.9	-172.4	166.7	0	111.6	D373 D375 T376 H377 A383	D373-K379 WeakPolarHBondContact O-CD 3.41Å; D373-K379 PolarHBondContact O-NZ 3.29Å; D375-K379 VanDerWaalsContact OD1-CD 3.3Å; D375-K379 WeakPolarHBondContact OD1-CD 3.34Å; D375-K379 VanDerWaalsContact OD1-CE 3.29Å; D375-K379 WeakPolarHBondContact OD1-CE 3.39Å; D375-K379 IonicContact OD1-NZ 3.07Å; D375-K379 PolarHBondContact OD1-NZ 3.35Å; D375-K379 IonicContact OD2-NZ 3.14Å; D375-K379 PolarHBondContact OD2-NZ 3.4Å; T376-K379 PolarHBondContact O-N 3.17Å; T376-K379 WeakPolarHBondContact OG1-CG 3.36Å; H377-K379 VanDerWaalsContact C-N 3.33Å; H377-K379 PolarHBondContact O-N 3.04Å; K379-A383 PolarHBondContact O-N 2.86Å
380	I	97.4	Very high	93.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-43.1	179.6	-55.9	174.6	0	0	0	110.4	L272 M273 A276 I335 L355 A374 H377 H382 A383 L384	L272-I380 HydrophobicContact CB-CD1 3.7Å; M273-I380 HydrophobicContact CB-CD1 4.36Å; A276-I380 HydrophobicContact CB-CB 3.94Å; A276-I380 HydrophobicContact CB-CG2 3.72Å; I335-I380 HydrophobicContact CD1-CG2 3.8Å; L355-I380 HydrophobicContact CD1-CG2 4.5Å; L355-I380 HydrophobicContact CD2-CG1 4.43Å; A374-I380 HydrophobicContact CB-CD1 4.07Å; A374-I380 HydrophobicContact CB-CG1 4.08Å; H377-I380 PolarHBondContact O-N 3.05Å; H377-I380 VanDerWaalsContact O-N 3.16Å; I380-H382 PolarHBondContact O-N 3.13Å; I380-A383 WeakPolarHBondContact O-CB 3.37Å; I380-A383 PolarHBondContact O-N 2.88Å; I380-L384 PolarHBondContact O-N 3.19Å
381	Y	98.2	Very high	94	Very high	71 Å²	71	61 Å²	61	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-46.2	176	-173.3	-84.4	0	0	0	111.6	F280 H377 N378 A383 L384 E385	F280-Y381 HydrophobicContact CB-CD2 4.34Å; F280-Y381 HydrophobicContact CB-CE2 4.01Å; F280-Y381 HydrophobicContact CD2-CD2 4.47Å; F280-Y381 AromaticContact CD2-CE2 3.95Å; F280-Y381 HydrophobicContact CD2-CE2 3.95Å; H377-Y381 WeakPolarHBondContact O-CB 3.41Å; H377-Y381 PolarHBondContact O-N 3.31Å; N378-Y381 PolarHBondContact O-N 3.12Å; Y381-A383 VanDerWaalsContact C-N 3.32Å; Y381-A383 PolarHBondContact O-N 3.44Å; Y381-L384 WeakPolarHBondContact O-CA 3.28Å; Y381-L384 VanDerWaalsContact O-CB 3.31Å; Y381-L384 WeakPolarHBondContact O-CB 3.28Å; Y381-L384 PolarHBondContact O-N 2.94Å; Y381-L384 VanDerWaalsContact O-N 3.08Å; Y381-E385 HydrophobicContact CD1-CG 4.08Å; Y381-E385 HydrophobicContact CE1-CG 3.77Å; Y381-E385 WeakPolarHBondContact CE1-OE1 3.28Å; Y381-E385 PolarHBondContact O-N 2.9Å
382	H	94.8	Very high	94.2	Very high	100 Å²	100	62.6 Å²	62.6	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.2	-170.2	55.3	0	0	0	112.4	N378 I380 L384 E385 L386	N378-H382 VanDerWaalsContact O-CB 3.26Å; N378-H382 WeakPolarHBondContact O-CB 3.49Å; N378-H382 PolarHBondContact O-N 3.22Å; I380-H382 PolarHBondContact O-N 3.13Å; H382-L384 VanDerWaalsContact C-N 3.29Å; H382-L384 PolarHBondContact O-N 3.24Å; H382-E385 IonicContact ND1-OE2 2.88Å; H382-E385 PolarHBondContact ND1-OE2 3.05Å; H382-E385 VanDerWaalsContact ND1-OE2 3.12Å; H382-E385 WeakPolarHBondContact O-CB 3.48Å; H382-E385 PolarHBondContact O-N 3.06Å; H382-L386 WeakPolarHBondContact O-CG 3.36Å; H382-L386 PolarHBondContact O-N 3.18Å
383	A	95.2	Very high	94.6	Very high	3 Å²	3	60 Å²	60	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-36.3	172.7	0	0	0	0	0	112.4	I353 L369 V371 K379 I380 Y381 L386 Q387	I353-A383 HydrophobicContact CD1-CB 4.17Å; I353-A383 WeakPolarHBondContact CD1-O 3.49Å; I353-A383 HydrophobicContact CG1-CB 4.35Å; I353-A383 HydrophobicContact CG2-CB 3.97Å; L369-A383 HydrophobicContact CD2-CB 3.97Å; V371-A383 HydrophobicContact CG2-CB 3.78Å; K379-A383 PolarHBondContact O-N 2.86Å; I380-A383 WeakPolarHBondContact O-CB 3.37Å; I380-A383 PolarHBondContact O-N 2.88Å; Y381-A383 VanDerWaalsContact C-N 3.32Å; Y381-A383 PolarHBondContact O-N 3.44Å; A383-L386 PolarHBondContact O-N 3.42Å; A383-Q387 WeakPolarHBondContact O-CB 3.22Å; A383-Q387 PolarHBondContact O-N 2.77Å
384	L	98.3	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-46.6	172	-71.4	164.4	0	0	0	111.3	I252 A276 L277 F280 I335 I353 I380 Y381 H382 L386 Q387 F388	I252-L384 HydrophobicContact CD1-CD2 3.94Å; A276-L384 HydrophobicContact CB-CD1 4.12Å; L277-L384 HydrophobicContact CD2-CD1 4.17Å; L277-L384 HydrophobicContact CD2-CD2 4.22Å; F280-L384 HydrophobicContact CB-CD1 4Å; F280-L384 HydrophobicContact CD1-CB 4.36Å; F280-L384 HydrophobicContact CD2-CB 3.94Å; F280-L384 HydrophobicContact CE1-CB 4.39Å; F280-L384 HydrophobicContact CE2-CB 3.99Å; F280-L384 HydrophobicContact CG-CB 4.14Å; F280-L384 HydrophobicContact CG-CD1 4.14Å; F280-L384 HydrophobicContact CZ-CB 4.22Å; I335-L384 HydrophobicContact CD1-CD2 3.98Å; I335-L384 HydrophobicContact CD1-CG 4.25Å; I353-L384 HydrophobicContact CD1-CB 4.45Å; I353-L384 HydrophobicContact CD1-CD2 3.7Å; I353-L384 HydrophobicContact CD1-CG 4.01Å; I380-L384 PolarHBondContact O-N 3.19Å; Y381-L384 WeakPolarHBondContact O-CA 3.28Å; Y381-L384 VanDerWaalsContact O-CB 3.31Å; Y381-L384 WeakPolarHBondContact O-CB 3.28Å; Y381-L384 PolarHBondContact O-N 2.94Å; Y381-L384 VanDerWaalsContact O-N 3.08Å; H382-L384 VanDerWaalsContact C-N 3.29Å; H382-L384 PolarHBondContact O-N 3.24Å; L384-L386 VanDerWaalsContact C-N 3.27Å; L384-L386 PolarHBondContact O-N 3.3Å; L384-Q387 PolarHBondContact O-N 2.6Å; L384-F388 WeakPolarHBondContact O-CB 3.46Å; L384-F388 PolarHBondContact O-N 2.81Å
385	E	98	Very high	95.1	Very high	104 Å²	104	58.2 Å²	58.2	49%	0.486	31%	0.308	S	S	.	.	H	α-helix	trans	-58.4	-39.9	175.3	-65.6	-178.3	128	0	0	112.3	F280 Y381 H382	F280-E385 HydrophobicContact CE2-CG 4.16Å; Y381-E385 HydrophobicContact CD1-CG 4.08Å; Y381-E385 HydrophobicContact CE1-CG 3.77Å; Y381-E385 WeakPolarHBondContact CE1-OE1 3.28Å; Y381-E385 PolarHBondContact O-N 2.9Å; H382-E385 IonicContact ND1-OE2 2.88Å; H382-E385 PolarHBondContact ND1-OE2 3.05Å; H382-E385 VanDerWaalsContact ND1-OE2 3.12Å; H382-E385 WeakPolarHBondContact O-CB 3.48Å; H382-E385 PolarHBondContact O-N 3.06Å
386	L	94.4	Very high	95.4	Very high	72 Å²	72	61.9 Å²	61.9	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-71.3	-32.9	-179.8	-72	175.2	0	0	0	113.1	L369 H382 A383 L384 K390	L369-L386 HydrophobicContact CD2-CB 4.4Å; L369-L386 HydrophobicContact CD2-CD1 4.35Å; H382-L386 WeakPolarHBondContact O-CG 3.36Å; H382-L386 PolarHBondContact O-N 3.18Å; A383-L386 PolarHBondContact O-N 3.42Å; L384-L386 VanDerWaalsContact C-N 3.27Å; L384-L386 PolarHBondContact O-N 3.3Å; L386-K390 WeakPolarHBondContact O-CD 3.31Å; L386-K390 WeakPolarHBondContact O-CE 3.4Å; L386-K390 PolarHBondContact O-NZ 2.89Å
387	Q	97.4	Very high	95.6	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-105.6	-31.9	-170.8	-74.6	-76	51	0	0	114.5	C333 P351 V352 I353 N367 L369 A383 L384 G389 K390 Y392	C333-Q387 HydrophobicContact CB-CB 4.45Å; P351-Q387 HydrophobicContact CB-CB 4.04Å; P351-Q387 VanDerWaalsContact CB-O 3.27Å; P351-Q387 WeakPolarHBondContact CB-O 3.49Å; P351-Q387 WeakPolarHBondContact CG-O 3.34Å; V352-Q387 PolarHBondContact O-NE2 3.21Å; I353-Q387 HydrophobicContact CD1-CB 4.08Å; I353-Q387 HydrophobicContact CD1-CG 4.43Å; I353-Q387 HydrophobicContact CG1-CB 3.89Å; I353-Q387 HydrophobicContact CG1-CG 3.78Å; N367-Q387 PolarHBondContact O-NE2 3.34Å; L369-Q387 HydrophobicContact CB-CG 3.92Å; L369-Q387 VanDerWaalsContact CB-NE2 3.3Å; L369-Q387 HydrophobicContact CD2-CG 3.83Å; A383-Q387 WeakPolarHBondContact O-CB 3.22Å; A383-Q387 PolarHBondContact O-N 2.77Å; L384-Q387 PolarHBondContact O-N 2.6Å; Q387-G389 PolarHBondContact O-N 2.71Å; Q387-K390 WeakPolarHBondContact O-CB 3.4Å; Q387-K390 PolarHBondContact O-N 3.3Å; Q387-Y392 PolarHBondContact OE1-OH 3.14Å
388	F	98.4	Very high	95.6	Very high	37 Å²	37	59.7 Å²	59.7	16%	0.162	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	124.8	-171.9	-177.3	-95.7	0	0	0	111.8	D250 I252 F280 K282 L384 K390	D250-F388 WeakPolarHBondContact OD1-CZ 3.4Å; I252-F388 HydrophobicContact CD1-CD2 4.19Å; I252-F388 HydrophobicContact CD1-CE2 4.33Å; I252-F388 HydrophobicContact CG1-CD2 3.78Å; I252-F388 HydrophobicContact CG1-CE2 3.7Å; F280-F388 HydrophobicContact CE1-CB 3.84Å; F280-F388 AromaticContact CE1-CD1 3.92Å; F280-F388 HydrophobicContact CE1-CD1 3.92Å; F280-F388 AromaticContact CE1-CD2 3.85Å; F280-F388 HydrophobicContact CE1-CD2 3.85Å; F280-F388 HydrophobicContact CE1-CE1 4.45Å; F280-F388 HydrophobicContact CE1-CE2 4.38Å; F280-F388 AromaticContact CE1-CG 3.58Å; F280-F388 HydrophobicContact CE1-CG 3.58Å; F280-F388 HydrophobicContact CZ-CB 3.67Å; F280-F388 AromaticContact CZ-CD1 3.97Å; F280-F388 HydrophobicContact CZ-CD1 3.97Å; F280-F388 AromaticContact CZ-CG 3.8Å; F280-F388 HydrophobicContact CZ-CG 3.8Å; K282-F388 HydrophobicContact CB-CE2 4.31Å; K282-F388 HydrophobicContact CB-CZ 4.29Å; K282-F388 HydrophobicContact CD-CE1 4.06Å; K282-F388 HydrophobicContact CD-CZ 3.79Å; K282-F388 HydrophobicContact CG-CE1 4.13Å; K282-F388 HydrophobicContact CG-CE2 4.12Å; K282-F388 HydrophobicContact CG-CZ 3.75Å; L384-F388 WeakPolarHBondContact O-CB 3.46Å; L384-F388 PolarHBondContact O-N 2.81Å; F388-K390 VanDerWaalsContact C-N 3.3Å; F388-K390 PolarHBondContact O-N 3.33Å
389	G	94.8	Very high	95.9	Very high	41 Å²	41	54 Å²	54	42%	0.423	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-4.3	177	0	0	0	0	0	114.9	G332 Q387	G332-G389 PolarHBondContact O-N 3.33Å; Q387-G389 PolarHBondContact O-N 2.71Å
390	K	96.8	Very high	96	Very high	92 Å²	92	52.9 Å²	52.9	40%	0.4	28%	0.278	S	S	.	.			trans	-66.8	165	170.8	-75.1	-172.7	172.5	164.4	0	111.7	P351 L386 Q387 F388 Y392	P351-K390 HydrophobicContact CB-CB 4.48Å; P351-K390 VanDerWaalsContact CD-O 3.31Å; P351-K390 WeakPolarHBondContact CD-O 3.47Å; P351-K390 HydrophobicContact CG-CB 3.74Å; P351-K390 WeakPolarHBondContact CG-O 3.3Å; L386-K390 WeakPolarHBondContact O-CD 3.31Å; L386-K390 WeakPolarHBondContact O-CE 3.4Å; L386-K390 PolarHBondContact O-NZ 2.89Å; Q387-K390 WeakPolarHBondContact O-CB 3.4Å; Q387-K390 PolarHBondContact O-N 3.3Å; F388-K390 VanDerWaalsContact C-N 3.3Å; F388-K390 PolarHBondContact O-N 3.33Å; K390-Y392 HydrophobicContact CB-CE2 4.03Å; K390-Y392 HydrophobicContact CD-CE2 4.36Å; K390-Y392 WeakPolarHBondContact CD-OH 3.33Å
391	R	96.6	Very high	96	Very high	94 Å²	94	53.7 Å²	53.7	36%	0.355	29%	0.286	S	S	.	.			trans	-139	139.2	167.9	-69.3	-65.5	174.8	-113.2	24.4	109.6	N249 A331 P351	N249-R391 PolarHBondContact OD1-NH2 3.42Å; A331-R391 PolarHBondContact O-NH1 3.3Å; A331-R391 PolarHBondContact O-NH2 3.48Å; P351-R391 VanDerWaalsContact CD-NH1 3.34Å
392	Y	96.8	Very high	96	Very high	53 Å²	53	54.4 Å²	54.4	21%	0.208	30%	0.295	C	S	.	.			trans	-115.7	165.1	178.7	-64.8	-88.1	0	0	0	109.7	G349 P351 E366 N367 Q387 K390	G349-Y392 VanDerWaalsContact CA-O 3.26Å; G349-Y392 WeakPolarHBondContact CA-O 3.31Å; G349-Y392 PolarHBondContact O-N 2.76Å; P351-Y392 HydrophobicContact CB-CD2 4.38Å; P351-Y392 HydrophobicContact CB-CE2 3.93Å; P351-Y392 HydrophobicContact CG-CD2 4.1Å; P351-Y392 HydrophobicContact CG-CE2 3.94Å; E366-Y392 HydrophobicContact CB-CD1 4.43Å; E366-Y392 HydrophobicContact CG-CD1 3.86Å; E366-Y392 HydrophobicContact CG-CG 4.5Å; E366-Y392 WeakPolarHBondContact O-CE1 3.31Å; N367-Y392 HydrophobicContact CB-CD2 3.64Å; N367-Y392 HydrophobicContact CB-CE2 4.34Å; N367-Y392 HydrophobicContact CB-CG 3.75Å; Q387-Y392 PolarHBondContact OE1-OH 3.14Å; K390-Y392 HydrophobicContact CB-CE2 4.03Å; K390-Y392 HydrophobicContact CD-CE2 4.36Å; K390-Y392 WeakPolarHBondContact CD-OH 3.33Å
393	P	95.2	Very high	96.1	Very high	86 Å²	86	49.7 Å²	49.7	56%	0.558	27%	0.273	S	S	*	.			trans	-62	142.8	168.6	-19	33.4	0	0	0	111.2	E366	E366-P393 WeakPolarHBondContact OE1-CD 3.38Å
394	G	92.6	Very high	96.3	Very high	55 Å²	55	50.2 Å²	50.2	57%	0.567	28%	0.276	S	S	*	.			trans	-66.2	132	174.3	0	0	0	0	0	111.8	G346	G346-G394 CarbonylContact O-C 3.58Å; G346-G394 WeakPolarHBondContact O-CA 3.31Å
395	S	93.1	Very high	96.3	Very high	24 Å²	24	53.8 Å²	53.8	17%	0.168	30%	0.299	C	S	.	.			trans	-110.1	143.3	179.8	78.1	0	0	0	0	112.2	G346 A347	G346-S395 WeakPolarHBondContact CA-OG 3.39Å; G346-S395 PolarHBondContact O-N 3.04Å; G346-S395 PolarHBondContact O-OG 3.43Å; A347-S395 VanDerWaalsContact CA-O 3.28Å; A347-S395 WeakPolarHBondContact CA-O 3.39Å; A347-S395 PolarHBondContact N-O 3.39Å
396	K	94.8	Very high	96.3	Very high	140 Å²	140	53.1 Å²	53.1	61%	0.609	29%	0.292	S	S	*	.			trans	-116.4	29.9	-178.7	-64.5	-172.7	-179.8	-174.9	0	112.7	Y398 G399	K396-Y398 VanDerWaalsContact C-N 3.27Å; K396-Y398 PolarHBondContact O-N 2.92Å; K396-G399 PolarHBondContact O-N 3.42Å
397	I	94.8	Very high	96.5	Very high	58 Å²	58	49.8 Å²	49.8	30%	0.297	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-46.3	-174.9	-63.5	173.1	0	0	0	110.9	T197 E363	T197-I397 HydrophobicContact CG2-CG2 4.22Å; E363-I397 HydrophobicContact CB-CG2 4.08Å
398	Y	97.3	Very high	96.5	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.016	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.2	-171.8	-71.7	-86	0	0	0	114.6	E173 C196 T197 C219 Y222 R343 R362 E363 K396	E173-Y398 WeakPolarHBondContact OE1-CE1 3.48Å; C196-Y398 HydrophobicContact CB-CD1 4.17Å; T197-Y398 HydrophobicContact CG2-CD1 3.57Å; T197-Y398 HydrophobicContact CG2-CE1 3.76Å; T197-Y398 HydrophobicContact CG2-CG 4.17Å; C219-Y398 VanDerWaalsContact CB-O 3.27Å; C219-Y398 WeakPolarHBondContact CB-O 3.4Å; C219-Y398 PolarHBondContact N-O 3.47Å; Y222-Y398 VanDerWaalsContact CE2-CB 3.46Å; R343-Y398 HydrophobicContact CB-CD1 4.38Å; R343-Y398 HydrophobicContact CB-CD2 3.88Å; R343-Y398 HydrophobicContact CB-CE1 4.45Å; R343-Y398 HydrophobicContact CB-CE2 3.97Å; R343-Y398 HydrophobicContact CB-CG 4.11Å; R343-Y398 HydrophobicContact CG-CD1 4.23Å; R343-Y398 HydrophobicContact CG-CD2 4.21Å; R343-Y398 HydrophobicContact CG-CE1 3.86Å; R343-Y398 HydrophobicContact CG-CE2 3.86Å; R343-Y398 HydrophobicContact CG-CG 4.4Å; R343-Y398 WeakPolarHBondContact O-CD2 3.38Å; R362-Y398 WeakPolarHBondContact CG-OH 3.49Å; E363-Y398 PolarHBondContact N-OH 3.39Å; E363-Y398 WeakPolarHBondContact O-CE2 3.5Å; E363-Y398 PolarHBondContact O-OH 2.95Å; K396-Y398 VanDerWaalsContact C-N 3.27Å; K396-Y398 PolarHBondContact O-N 2.92Å
399	G	96.3	Very high	96.5	Very high	7 Å²	7	56.4 Å²	56.4	7%	0.072	30%	0.304	C	S	.	.			trans	171.1	156.4	179	0	0	0	0	0	115	Y222 K396	Y222-G399 WeakPolarHBondContact CD1-O 3.45Å; K396-G399 PolarHBondContact O-N 3.42Å
400	D	95.9	Very high	96.7	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.353	29%	0.289	S	S	.	.			trans	-112.6	3.8	178.5	67.2	-9.4	0	0	0	113.3	N402 R406	D400-N402 PolarHBondContact O-ND2 3.38Å; D400-N402 PolarHBondContact OD1-N 3.48Å; D400-R406 VanDerWaalsContact CG-NH1 3.32Å; D400-R406 IonicContact OD1-CZ 3.06Å; D400-R406 IonicContact OD1-NH1 2.78Å; D400-R406 PolarHBondContact OD1-NH1 3.41Å; D400-R406 IonicContact OD1-NH2 3.75Å; D400-R406 IonicContact OD2-CZ 2.87Å; D400-R406 IonicContact OD2-NH1 3.26Å; D400-R406 PolarHBondContact OD2-NH1 2.83Å; D400-R406 VanDerWaalsContact OD2-NH1 3.1Å; D400-R406 IonicContact OD2-NH2 3.89Å; D400-R406 PolarHBondContact OD2-NH2 3.25Å
401	G	96.3	Very high	96.7	Very high	17 Å²	17	51.4 Å²	51.4	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	85.9	13.3	176.4	0	0	0	0	0	115.1
402	N	97.4	Very high	96.7	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	27%	0.267	S	S	.	.			trans	-126.7	34.2	178.7	-62.8	-84.6	0	0	0	112.1	D400 R406	D400-N402 PolarHBondContact O-ND2 3.38Å; D400-N402 PolarHBondContact OD1-N 3.48Å; N402-R406 WeakPolarHBondContact O-CG 3.48Å
403	A	98.3	Very high	96.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-42.5	-179.5	0	0	0	0	0	111.7	A217 G218 P220 D223 R406 I407	A217-A403 HydrophobicContact CB-CB 4.32Å; A217-A403 WeakPolarHBondContact O-CA 3.47Å; G218-A403 VanDerWaalsContact O-CB 3.26Å; G218-A403 WeakPolarHBondContact O-CB 3.45Å; P220-A403 HydrophobicContact CG-CB 4.39Å; D223-A403 PolarHBondContact OD1-N 3.06Å; D223-A403 VanDerWaalsContact OD1-N 3.11Å; D223-A403 VanDerWaalsContact OD2-CB 3.27Å; D223-A403 WeakPolarHBondContact OD2-CB 3.26Å; D223-A403 PolarHBondContact OD2-N 3.46Å; A403-R406 PolarHBondContact O-N 3.12Å; A403-I407 VanDerWaalsContact O-CG1 3.31Å; A403-I407 WeakPolarHBondContact O-CG1 3.4Å; A403-I407 PolarHBondContact O-N 3.44Å
404	V	98.3	Very high	96.5	Very high	14 Å²	14	47 Å²	47	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-50.1	-175.4	174.7	0	0	0	0	112	P63 I64 P220 D223 R406 I407 L408	P63-V404 HydrophobicContact CB-CG2 3.62Å; I64-V404 HydrophobicContact CG1-CG2 4.22Å; P220-V404 HydrophobicContact CB-CG2 4.46Å; D223-V404 WeakPolarHBondContact OD1-CB 3.33Å; D223-V404 WeakPolarHBondContact OD1-CG2 3.41Å; D223-V404 PolarHBondContact OD1-N 3.48Å; V404-R406 VanDerWaalsContact C-N 3.25Å; V404-R406 PolarHBondContact O-N 3.06Å; V404-I407 PolarHBondContact O-N 2.99Å; V404-I407 VanDerWaalsContact O-N 3.08Å; V404-L408 HydrophobicContact CG1-CD1 4.15Å; V404-L408 HydrophobicContact CG1-CG 4.21Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 2.84Å
405	P	98.3	Very high	96.4	Very high	76 Å²	76	48.1 Å²	48.1	49%	0.494	26%	0.255	S	S	.	.	H	α-helix	trans	-57.8	-36.4	177.5	-25.8	35.3	0	0	0	113.6	K409	P405-K409 WeakPolarHBondContact O-CB 3.11Å; P405-K409 PolarHBondContact O-N 3.5Å; P405-K409 VanDerWaalsContact O-N 3.09Å
406	R	98.6	Very high	96.3	Very high	90 Å²	90	49.2 Å²	49.2	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-43.3	175.8	-68.4	174.7	-177.7	137.8	7.3	111.6	L215 A217 D400 N402 A403 V404 K409 F410	L215-R406 HydrophobicContact CD1-CB 4.43Å; L215-R406 HydrophobicContact CD2-CB 4.21Å; A217-R406 PolarHBondContact O-NH1 3.43Å; D400-R406 VanDerWaalsContact CG-NH1 3.32Å; D400-R406 IonicContact OD1-CZ 3.06Å; D400-R406 IonicContact OD1-NH1 2.78Å; D400-R406 PolarHBondContact OD1-NH1 3.41Å; D400-R406 IonicContact OD1-NH2 3.75Å; D400-R406 IonicContact OD2-CZ 2.87Å; D400-R406 IonicContact OD2-NH1 3.26Å; D400-R406 PolarHBondContact OD2-NH1 2.83Å; D400-R406 VanDerWaalsContact OD2-NH1 3.1Å; D400-R406 IonicContact OD2-NH2 3.89Å; D400-R406 PolarHBondContact OD2-NH2 3.25Å; N402-R406 WeakPolarHBondContact O-CG 3.48Å; A403-R406 PolarHBondContact O-N 3.12Å; V404-R406 VanDerWaalsContact C-N 3.25Å; V404-R406 PolarHBondContact O-N 3.06Å; R406-K409 PolarHBondContact O-N 2.88Å; R406-F410 WeakPolarHBondContact O-CB 3.12Å; R406-F410 PolarHBondContact O-N 3.23Å
407	I	98.6	Very high	96	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-45.6	178.8	-70.4	165.9	0	0	0	110.7	I64 L167 L169 A194 L215 A217 P220 A403 V404 K409 F410 L411	I64-I407 HydrophobicContact CD1-CD1 3.77Å; I64-I407 HydrophobicContact CD1-CG2 4.47Å; I64-I407 HydrophobicContact CG1-CD1 4.06Å; I64-I407 HydrophobicContact CG2-CG2 4.14Å; L167-I407 HydrophobicContact CD2-CG2 4Å; L169-I407 HydrophobicContact CD2-CD1 4.4Å; A194-I407 HydrophobicContact CB-CG1 4.34Å; L215-I407 HydrophobicContact CD2-CG1 3.93Å; A217-I407 HydrophobicContact CB-CD1 4.15Å; A217-I407 HydrophobicContact CB-CG1 3.91Å; P220-I407 HydrophobicContact CG-CD1 4.01Å; A403-I407 VanDerWaalsContact O-CG1 3.31Å; A403-I407 WeakPolarHBondContact O-CG1 3.4Å; A403-I407 PolarHBondContact O-N 3.44Å; V404-I407 PolarHBondContact O-N 2.99Å; V404-I407 VanDerWaalsContact O-N 3.08Å; I407-K409 PolarHBondContact O-N 3.48Å; I407-F410 PolarHBondContact O-N 3.24Å; I407-L411 HydrophobicContact CG2-CD1 4.14Å; I407-L411 HydrophobicContact CG2-CG 4.47Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 2.87Å
408	L	98.5	Very high	95.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-44.4	177.6	-62.9	-178.5	0	0	0	111.8	G67 L68 F75 V404 F410 L411 S412	G67-L408 WeakPolarHBondContact O-CD1 3.37Å; L68-L408 HydrophobicContact CD2-CD2 3.59Å; L68-L408 HydrophobicContact CG-CD2 3.84Å; F75-L408 HydrophobicContact CE2-CB 4.47Å; F75-L408 HydrophobicContact CE2-CD2 4.19Å; F75-L408 HydrophobicContact CZ-CB 4.47Å; F75-L408 HydrophobicContact CZ-CD2 4.41Å; V404-L408 HydrophobicContact CG1-CD1 4.15Å; V404-L408 HydrophobicContact CG1-CG 4.21Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 2.84Å; L408-F410 VanDerWaalsContact C-N 3.29Å; L408-F410 PolarHBondContact O-N 3.03Å; L408-L411 PolarHBondContact O-N 3.32Å; L408-S412 WeakPolarHBondContact O-CB 3.46Å; L408-S412 PolarHBondContact O-N 2.95Å; L408-S412 PolarHBondContact O-OG 2.82Å
409	K	98.1	Very high	94.5	Very high	166 Å²	166	55.6 Å²	55.6	72%	0.722	30%	0.304	S	S	*	.	H	α-helix	trans	-60.6	-40.9	175.4	-174.9	179	-179.5	-179.8	0	111.8	P405 R406 I407 S412 S413	P405-K409 WeakPolarHBondContact O-CB 3.11Å; P405-K409 PolarHBondContact O-N 3.5Å; P405-K409 VanDerWaalsContact O-N 3.09Å; R406-K409 PolarHBondContact O-N 2.88Å; I407-K409 PolarHBondContact O-N 3.48Å; K409-S412 PolarHBondContact O-N 3.24Å; K409-S413 PolarHBondContact O-N 3.37Å; K409-S413 VanDerWaalsContact O-N 3.14Å
410	F	97.7	Very high	94	Very high	26 Å²	26	56.8 Å²	56.8	11%	0.114	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-44.2	178.3	-177	-120.6	0	0	0	111.9	L167 Y192 L215 R406 I407 L408 S412 S413 I414	L167-F410 HydrophobicContact CD1-CD1 4.28Å; L167-F410 HydrophobicContact CD1-CE1 4.01Å; Y192-F410 HydrophobicContact CD1-CE1 4.15Å; Y192-F410 AromaticContact CD1-CZ 3.82Å; Y192-F410 HydrophobicContact CD1-CZ 3.82Å; Y192-F410 HydrophobicContact CG-CE1 4.42Å; L215-F410 HydrophobicContact CB-CD1 4.04Å; L215-F410 HydrophobicContact CB-CD2 4.4Å; L215-F410 HydrophobicContact CB-CE1 4.13Å; L215-F410 HydrophobicContact CB-CG 4.16Å; L215-F410 HydrophobicContact CB-CZ 4.38Å; L215-F410 HydrophobicContact CD1-CB 4.49Å; L215-F410 HydrophobicContact CD2-CB 3.75Å; L215-F410 HydrophobicContact CD2-CD1 4.07Å; L215-F410 HydrophobicContact CD2-CG 4.01Å; L215-F410 HydrophobicContact CG-CG 4.49Å; R406-F410 WeakPolarHBondContact O-CB 3.12Å; R406-F410 PolarHBondContact O-N 3.23Å; I407-F410 PolarHBondContact O-N 3.24Å; L408-F410 VanDerWaalsContact C-N 3.29Å; L408-F410 PolarHBondContact O-N 3.03Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.85Å; F410-S413 PolarHBondContact O-N 2.97Å; F410-S413 PolarHBondContact O-OG 3.16Å; F410-I414 PolarHBondContact O-N 3.02Å
411	L	97.8	Very high	93.4	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-42.1	172.8	-72.7	172	0	0	0	111.7	L46 L68 F75 I142 I144 L167 I407 L408 S413 I414	L46-L411 HydrophobicContact CD2-CB 4.04Å; L46-L411 HydrophobicContact CD2-CD2 4.41Å; L68-L411 HydrophobicContact CD2-CD1 3.93Å; F75-L411 HydrophobicContact CE1-CB 3.82Å; F75-L411 HydrophobicContact CE1-CD1 4.46Å; F75-L411 HydrophobicContact CZ-CB 4.24Å; I142-L411 HydrophobicContact CD1-CD2 3.9Å; I142-L411 HydrophobicContact CG2-CD2 4.27Å; I144-L411 HydrophobicContact CD1-CD1 4.35Å; L167-L411 HydrophobicContact CD2-CD2 3.89Å; L167-L411 HydrophobicContact CD2-CG 4.28Å; I407-L411 HydrophobicContact CG2-CD1 4.14Å; I407-L411 HydrophobicContact CG2-CG 4.47Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 2.87Å; L408-L411 PolarHBondContact O-N 3.32Å; L411-S413 PolarHBondContact O-N 2.84Å; L411-I414 HydrophobicContact CD2-CD1 4.02Å; L411-I414 WeakPolarHBondContact O-CB 3.46Å; L411-I414 PolarHBondContact O-N 3.12Å
412	S	96.1	Very high	92.9	Very high	39 Å²	39	62.1 Å²	62.1	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-19	178.5	-50.6	0	0	0	0	113.9	E74 F75 L408 K409 F410	E74-S412 PolarHBondContact OE2-OG 3.3Å; F75-S412 VanDerWaalsContact CZ-OG 3.31Å; F75-S412 WeakPolarHBondContact CZ-OG 3.33Å; L408-S412 WeakPolarHBondContact O-CB 3.46Å; L408-S412 PolarHBondContact O-N 2.95Å; L408-S412 PolarHBondContact O-OG 2.82Å; K409-S412 PolarHBondContact O-N 3.24Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.85Å
413	S	94.7	Very high	92.4	Very high	81 Å²	81	62.8 Å²	62.8	57%	0.566	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.5	177.7	72.9	0	0	0	0	113.6	K409 F410 L411 D415	K409-S413 PolarHBondContact O-N 3.37Å; K409-S413 VanDerWaalsContact O-N 3.14Å; F410-S413 PolarHBondContact O-N 2.97Å; F410-S413 PolarHBondContact O-OG 3.16Å; L411-S413 PolarHBondContact O-N 2.84Å; S413-D415 PolarHBondContact O-N 3.49Å
414	I	93.6	Very high	92	Very high	21 Å²	21	66.6 Å²	66.6	11%	0.108	35%	0.35	C	S	.	.			trans	-68.6	119.5	179	-67	174.8	0	0	0	109.2	I142 Y192 F410 L411 L416	I142-I414 HydrophobicContact CD1-CD1 3.57Å; Y192-I414 HydrophobicContact CD1-CD1 4.36Å; Y192-I414 HydrophobicContact CD1-CG1 4.42Å; Y192-I414 HydrophobicContact CD2-CD1 3.99Å; Y192-I414 HydrophobicContact CE1-CD1 4.24Å; Y192-I414 HydrophobicContact CE1-CG1 3.97Å; Y192-I414 HydrophobicContact CE2-CD1 3.88Å; Y192-I414 HydrophobicContact CE2-CG1 4.29Å; Y192-I414 HydrophobicContact CE2-CG2 4.19Å; Y192-I414 HydrophobicContact CG-CD1 4.23Å; Y192-I414 WeakPolarHBondContact OH-CG2 3.45Å; F410-I414 PolarHBondContact O-N 3.02Å; L411-I414 HydrophobicContact CD2-CD1 4.02Å; L411-I414 WeakPolarHBondContact O-CB 3.46Å; L411-I414 PolarHBondContact O-N 3.12Å; I414-L416 HydrophobicContact CG2-CD2 4.22Å
415	D	89.9	Confident	91.5	Very high	78 Å²	78	68.6 Å²	68.6	42%	0.417	36%	0.364	S	S	.	.			trans	-80.8	122.6	168	-172.3	-2.1	0	0	0	109.8	S413 D417 E418	S413-D415 PolarHBondContact O-N 3.49Å; D415-D417 VanDerWaalsContact C-N 3.29Å; D415-D417 WeakPolarHBondContact OD1-CB 3.11Å; D415-D417 PolarHBondContact OD1-N 2.66Å; D415-E418 HydrophobicContact CB-CG 3.98Å
416	L	90.8	Very high	90.5	Very high	48 Å²	48	70.9 Å²	70.9	25%	0.251	37%	0.366	S	S	.	.	S	Bend	trans	-78.7	-17.5	-180	-64.2	-179.2	0	0	0	112.4	L46 D141 R165 I414	L46-L416 HydrophobicContact CD1-CD1 4.14Å; L46-L416 HydrophobicContact CD1-CD2 3.82Å; L46-L416 HydrophobicContact CD1-CG 4.36Å; D141-L416 HydrophobicContact CB-CD1 4.45Å; D141-L416 HydrophobicContact CB-CD2 4.1Å; R165-L416 PolarHBondContact NH2-O 2.9Å; I414-L416 HydrophobicContact CG2-CD2 4.22Å
417	D	88	Confident	88.8	Confident	152 Å²	152	70.5 Å²	70.5	81%	0.813	38%	0.375	S	S	*	.	S	Bend	trans	-84.1	-13.3	178	-64.3	-32.9	0	0	0	112.4	D415	D415-D417 VanDerWaalsContact C-N 3.29Å; D415-D417 WeakPolarHBondContact OD1-CB 3.11Å; D415-D417 PolarHBondContact OD1-N 2.66Å
418	E	84.1	Confident	86.4	Confident	80 Å²	80	76.8 Å²	76.8	37%	0.374	42%	0.416	S	S	.	.	S	Bend	trans	-60.5	143.7	173	-84.9	-175.5	-177.5	0	0	112.1	R165 R213 D415 L420	R165-E418 PolarHBondContact NH2-O 3.08Å; R213-E418 IonicContact CZ-OE2 2.97Å; R213-E418 IonicContact NH1-OE2 3.86Å; R213-E418 IonicContact NH2-OE2 2.75Å; R213-E418 PolarHBondContact NH2-OE2 3.16Å; D415-E418 HydrophobicContact CB-CG 3.98Å; E418-L420 PolarHBondContact O-N 3.4Å
419	P	77.6	Confident	83.5	Confident	104 Å²	104	80.4 Å²	80.4	68%	0.675	44%	0.439	S	S	*	.			trans	-60	127.7	175.7	25.6	-32.9	0	0	0	110	Q421	P419-Q421 PolarHBondContact O-N 3.47Å
420	L	84.9	Confident	80.8	Confident	32 Å²	32	76.6 Å²	76.6	17%	0.168	42%	0.422	C	S	.	.			trans	-69.1	-24.1	-178.6	-172.3	66.6	0	0	0	112.9	N163 R165 H191 E418 K422	N163-L420 HydrophobicContact CB-CD2 3.43Å; N163-L420 VanDerWaalsContact CB-CD2 3.43Å; N163-L420 WeakPolarHBondContact O-CD2 3.18Å; R165-L420 HydrophobicContact CB-CD1 4.24Å; R165-L420 HydrophobicContact CG-CD1 3.2Å; H191-L420 PolarHBondContact CD2-O 2.88Å; H191-L420 VanDerWaalsContact CD2-O 3.29Å; E418-L420 PolarHBondContact O-N 3.4Å; L420-K422 PolarHBondContact O-N 3.43Å
421	Q	83.5	Confident	77.9	Confident	158 Å²	158	82 Å²	82	74%	0.738	45%	0.452	S	S	*	.			trans	-55.4	116	-175.7	-176.5	63.2	41.5	0	0	110.9	P419	P419-Q421 PolarHBondContact O-N 3.47Å
422	K	86.9	Confident	74.9	Confident	37 Å²	37	88.3 Å²	88.3	16%	0.161	49%	0.491	C	S	.	.			trans	-71.2	135.3	176.7	-171.6	177	-177.5	179.4	0	110.8	S187 K188 A190 E209 L420 F424	S187-K422 PolarHBondContact O-NZ 2.94Å; K188-K422 VanDerWaalsContact O-CD 3.31Å; K188-K422 WeakPolarHBondContact O-CD 3.35Å; K188-K422 PolarHBondContact O-NZ 2.8Å; A190-K422 VanDerWaalsContact O-CD 3.25Å; A190-K422 WeakPolarHBondContact O-CD 3.44Å; A190-K422 WeakPolarHBondContact O-CE 3.31Å; A190-K422 PolarHBondContact O-NZ 3.01Å; E209-K422 IonicContact OE1-NZ 3.69Å; E209-K422 PolarHBondContact OE1-NZ 3.49Å; E209-K422 VanDerWaalsContact OE1-NZ 3.1Å; E209-K422 WeakPolarHBondContact OE2-CE 3.36Å; E209-K422 IonicContact OE2-NZ 3.58Å; E209-K422 PolarHBondContact OE2-NZ 3.23Å; L420-K422 PolarHBondContact O-N 3.43Å; K422-F424 HydrophobicContact CD-CD1 4.4Å; K422-F424 HydrophobicContact CD-CE1 3.77Å; K422-F424 HydrophobicContact CG-CE1 4.24Å
423	T	85.5	Confident	72.4	Confident	99 Å²	99	90.1 Å²	90.1	61%	0.607	50%	0.497	S	S	*	.			trans	-115.9	131.7	172.6	-56.5	0	0	0	0	109
424	F	90.2	Very high	69.5	Low	81 Å²	81	91.6 Å²	91.6	36%	0.355	51%	0.507	S	S	.	.			trans	-86.3	118.6	173.2	-59.9	-40.9	0	0	0	109.3	K188 C208 K422 F426	K188-F424 HydrophobicContact CB-CE1 4.39Å; K188-F424 HydrophobicContact CB-CZ 4.2Å; K188-F424 HydrophobicContact CD-CD1 3.99Å; K188-F424 HydrophobicContact CD-CE1 3.44Å; K188-F424 VanDerWaalsContact CD-CE1 3.44Å; K188-F424 HydrophobicContact CD-CE2 4.11Å; K188-F424 HydrophobicContact CD-CZ 3.52Å; K188-F424 HydrophobicContact CG-CZ 4.47Å; C208-F424 HydrophobicContact CB-CB 4.35Å; C208-F424 CarbonylContact O-C 3.51Å; C208-F424 VanDerWaalsContact O-CA 3.24Å; C208-F424 WeakPolarHBondContact O-CA 3.48Å; K422-F424 HydrophobicContact CD-CD1 4.4Å; K422-F424 HydrophobicContact CD-CE1 3.77Å; K422-F424 HydrophobicContact CG-CE1 4.24Å; F424-F426 HydrophobicContact CB-CD2 3.77Å; F424-F426 HydrophobicContact CB-CE2 3.32Å; F424-F426 HydrophobicContact CB-CZ 4Å; F424-F426 HydrophobicContact CD2-CE2 4.03Å; F424-F426 HydrophobicContact CD2-CZ 4.31Å; F424-F426 HydrophobicContact CG-CE2 4.13Å; F424-F426 WeakPolarHBondContact O-CD2 3.33Å; F424-F426 PolarHBondContact O-N 3.4Å
425	C	87.7	Confident	66.8	Low	56 Å²	56	99.3 Å²	99.3	38%	0.378	54%	0.542	S	S	.	.			trans	-79.8	71.4	177.9	-64.7	0	0	0	0	109.7	C208 D210	C208-C425 WeakPolarHBondContact CA-O 3.18Å; C208-C425 WeakPolarHBondContact CB-O 3.42Å; C208-C425 PolarHBondContact O-N 3.3Å; D210-C425 VanDerWaalsContact CA-SG 3.58Å; D210-C425 VanDerWaalsContact CB-SG 3.59Å
426	F	76.8	Confident	64.4	Low	125 Å²	125	100.6 Å²	100.6	55%	0.548	55%	0.55	S	S	.	.			trans	-61.2	130.6	169.3	-66.9	-86.4	0	0	0	107.8	C208 F424 V429	C208-F426 HydrophobicContact CB-CB 4.48Å; C208-F426 HydrophobicContact CB-CD1 3.75Å; C208-F426 HydrophobicContact CB-CD2 4.35Å; C208-F426 HydrophobicContact CB-CE1 3.93Å; C208-F426 HydrophobicContact CB-CG 3.95Å; C208-F426 HydrophobicContact CB-CZ 4.33Å; C208-F426 WeakPolarHBondContact SG-CD1 3.31Å; C208-F426 VanDerWaalsContact SG-CE1 3.59Å; F424-F426 HydrophobicContact CB-CD2 3.77Å; F424-F426 HydrophobicContact CB-CE2 3.32Å; F424-F426 HydrophobicContact CB-CZ 4Å; F424-F426 HydrophobicContact CD2-CE2 4.03Å; F424-F426 HydrophobicContact CD2-CZ 4.31Å; F424-F426 HydrophobicContact CG-CE2 4.13Å; F424-F426 WeakPolarHBondContact O-CD2 3.33Å; F424-F426 PolarHBondContact O-N 3.4Å; F426-V429 HydrophobicContact CB-CG2 4.21Å
427	P	64.4	Low	62.1	Low	82 Å²	82	104.5 Å²	104.5	53%	0.532	57%	0.569	S	S	.	*			trans	-51.3	148.8	161.5	25.7	-32.3	0	0	0	106.6	V429	P427-V429 WeakPolarHBondContact O-CG2 3.38Å; P427-V429 PolarHBondContact O-N 3.19Å
428	P	46.8	Very low	59.8	Low	133 Å²	133	102.1 Å²	102.1	86%	0.864	56%	0.557	S	S	*	*			trans	-53.9	95.6	-178.8	20	-31	0	0	0	109.4	K430	P428-K430 PolarHBondContact O-N 3.4Å
429	V	38.9	Very low	58.1	Low	88 Å²	88	101.5 Å²	101.5	53%	0.533	55%	0.554	S	S	.	*			trans	-67	131.5	166	-170.3	0	0	0	0	102	F426 P427 D431	F426-V429 HydrophobicContact CB-CG2 4.21Å; P427-V429 WeakPolarHBondContact O-CG2 3.38Å; P427-V429 PolarHBondContact O-N 3.19Å; V429-D431 PolarHBondContact O-N 2.9Å
430	K	40.7	Very low	56.6	Low	87 Å²	87	103.5 Å²	103.5	38%	0.378	56%	0.557	S	S	.	*			trans	-44.1	117.8	164.8	-73.3	153.5	168.5	-136.3	0	105.6	P428 T432 R756 R757 Y759	P428-K430 PolarHBondContact O-N 3.4Å; K430-T432 PolarHBondContact O-N 3.31Å; K430-R756 PolarHBondContact NZ-O 3.1Å; K430-R757 HydrophobicContact CD-CB 4.5Å; K430-R757 WeakPolarHBondContact CD-O 3.48Å; K430-R757 VanDerWaalsContact CE-CA 3.43Å; K430-R757 VanDerWaalsContact CE-O 3.25Å; K430-R757 WeakPolarHBondContact CE-O 3.36Å; K430-R757 HydrophobicContact CG-CB 3.96Å; K430-R757 HydrophobicContact CG-CG 4.07Å; K430-R757 VanDerWaalsContact CG-O 3.23Å; K430-R757 WeakPolarHBondContact CG-O 3.17Å; K430-R757 VanDerWaalsContact NZ-CA 3.29Å; K430-R757 PolarHBondContact NZ-O 2.7Å; K430-Y759 PolarHBondContact NZ-O 3.27Å
431	D	36.3	Very low	55	Low	139 Å²	139	108.1 Å²	108.1	74%	0.743	58%	0.581	S	S	*	*			trans	-42.4	116.4	-173.3	-72.3	-52.5	0	0	0	108.9	V429 I433	V429-D431 PolarHBondContact O-N 2.9Å; D431-I433 HydrophobicContact CB-CG1 4.32Å; D431-I433 PolarHBondContact O-N 2.81Å
432	T	34.9	Very low	54.3	Low	134 Å²	134	103.8 Å²	103.8	82%	0.822	56%	0.561	S	S	*	*			trans	-68	88.4	160.7	12.8	0	0	0	0	104.9	K430 S434	K430-T432 PolarHBondContact O-N 3.31Å; T432-S434 VanDerWaalsContact C-N 3.33Å; T432-S434 PolarHBondContact O-N 3.34Å
433	I	43.6	Very low	54	Low	78 Å²	78	105 Å²	105	40%	0.4	57%	0.571	S	S	.	*			trans	-59.6	103.8	166.8	-60.2	166.4	0	0	0	105	D431 Q435 H439	D431-I433 HydrophobicContact CB-CG1 4.32Å; D431-I433 PolarHBondContact O-N 2.81Å; I433-Q435 PolarHBondContact O-N 3.14Å; I433-Q435 VanDerWaalsContact O-N 3.09Å; I433-H439 WeakPolarHBondContact CG2-CD2 3.1Å; I433-H439 WeakPolarHBondContact CG2-NE2 3.07Å
434	S	35.1	Very low	54.1	Low	111 Å²	111	104.6 Å²	104.6	78%	0.776	56%	0.562	S	S	*	*			trans	-51.1	120.7	166.8	-166.4	0	0	0	0	107	T432 D436	T432-S434 VanDerWaalsContact C-N 3.33Å; T432-S434 PolarHBondContact O-N 3.34Å; S434-D436 PolarHBondContact O-N 2.6Å
435	Q	35.8	Very low	54.2	Low	183 Å²	183	100.7 Å²	100.7	86%	0.855	55%	0.546	S	S	*	.			trans	-81.9	99.4	-172.6	-69	-178.3	-6.2	0	0	108.3	I433	I433-Q435 PolarHBondContact O-N 3.14Å; I433-Q435 VanDerWaalsContact O-N 3.09Å
436	D	39.1	Very low	54.6	Low	106 Å²	106	98 Å²	98	57%	0.567	53%	0.528	S	S	*	.			trans	-86.2	151.3	166.8	-141.6	-30.9	0	0	0	109.9	S434 D438 H439	S434-D436 PolarHBondContact O-N 2.6Å; D436-D438 PolarHBondContact O-N 2.98Å; D436-D438 VanDerWaalsContact O-N 3.15Å; D436-H439 WeakPolarHBondContact O-CB 3.49Å; D436-H439 PolarHBondContact O-N 3.42Å
437	I	42.8	Very low	55.6	Low	129 Å²	129	92.1 Å²	92.1	66%	0.662	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.6	-174.4	-165.4	158.8	0	0	0	112.7	H439 I440	I437-H439 VanDerWaalsContact C-N 3.27Å; I437-H439 PolarHBondContact O-N 2.79Å; I437-I440 PolarHBondContact O-N 2.72Å
438	D	41.2	Very low	57.2	Low	103 Å²	103	88.2 Å²	88.2	55%	0.551	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25.6	174.2	-65.6	-29.8	0	0	0	112.3	D436 I440 L441	D436-D438 PolarHBondContact O-N 2.98Å; D436-D438 VanDerWaalsContact O-N 3.15Å; D438-I440 VanDerWaalsContact C-N 3.29Å; D438-I440 PolarHBondContact O-N 3.16Å; D438-L441 PolarHBondContact O-N 2.59Å
439	H	46.7	Very low	59.6	Low	67 Å²	67	81.9 Å²	81.9	31%	0.31	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-69.9	-19.5	178	-91.3	22.9	0	0	0	114.7	I433 D436 I437 L441 R503	I433-H439 WeakPolarHBondContact CG2-CD2 3.1Å; I433-H439 WeakPolarHBondContact CG2-NE2 3.07Å; D436-H439 WeakPolarHBondContact O-CB 3.49Å; D436-H439 PolarHBondContact O-N 3.42Å; I437-H439 VanDerWaalsContact C-N 3.27Å; I437-H439 PolarHBondContact O-N 2.79Å; H439-L441 VanDerWaalsContact C-N 3.33Å; H439-R503 PolarHBondContact CD2-NH1 2.84Å; H439-R503 PolarHBondContact CE1-NH1 2.96Å; H439-R503 PolarHBondContact NE2-NH1 3.46Å
440	I	46.7	Very low	62.2	Low	146 Å²	146	78 Å²	78	75%	0.749	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-79	-22.7	179.5	-64.7	175.9	0	0	0	110.9	I437 D438	I437-I440 PolarHBondContact O-N 2.72Å; D438-I440 VanDerWaalsContact C-N 3.29Å; D438-I440 PolarHBondContact O-N 3.16Å
441	L	52.5	Low	64.6	Low	128 Å²	128	73.9 Å²	73.9	67%	0.67	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-16	-174.9	-63.7	174.5	0	0	0	113.6	D438 H439 N501	D438-L441 PolarHBondContact O-N 2.59Å; H439-L441 VanDerWaalsContact C-N 3.33Å; L441-N501 PolarHBondContact O-ND2 3.08Å
442	E	67	Low	66.7	Low	68 Å²	68	68 Å²	68	32%	0.318	37%	0.366	S	S	.	.	S	Bend	trans	-82.3	138.1	-178.7	-69.3	-177.7	170.1	0	0	113.5	Q444 N501 R503	E442-Q444 PolarHBondContact O-N 2.86Å; E442-N501 WeakPolarHBondContact CA-O 3.43Å; E442-R503 HydrophobicContact CB-CB 4.34Å; E442-R503 WeakPolarHBondContact OE2-CB 3.35Å
443	T	81.4	Confident	68.7	Low	61 Å²	61	63.1 Å²	63.1	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	109.2	175.5	-58.9	0	0	0	0	110.2	S445 C462 N501 C502 R503	T443-S445 PolarHBondContact O-N 3.06Å; T443-S445 PolarHBondContact O-OG 2.87Å; T443-C462 HydrophobicContact CG2-CB 3.6Å; T443-N501 PolarHBondContact N-O 2.92Å; T443-C502 WeakPolarHBondContact O-CA 3.36Å; T443-R503 PolarHBondContact O-N 2.97Å
444	Q	87.4	Confident	70.5	Confident	91 Å²	91	63.6 Å²	63.6	43%	0.425	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	125.7	174.4	-69.8	-173.2	-7.7	0	0	111.2	E442 C462 M463 L505	E442-Q444 PolarHBondContact O-N 2.86Å; Q444-C462 CarbonylContact O-C 3.48Å; Q444-C462 WeakPolarHBondContact O-CA 3.37Å; Q444-M463 PolarHBondContact O-N 2.92Å; Q444-L505 HydrophobicContact CB-CD1 4.28Å
445	S	92.7	Very high	73	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.5	-170	-59.7	0	0	0	0	112.1	T443 V461 R503 I504 L505	T443-S445 PolarHBondContact O-N 3.06Å; T443-S445 PolarHBondContact O-OG 2.87Å; S445-V461 CarbonylContact C-O 3.6Å; S445-V461 WeakPolarHBondContact CA-O 3.37Å; S445-V461 WeakPolarHBondContact CB-O 3.37Å; S445-R503 CarbonylContact C-O 3.48Å; S445-R503 WeakPolarHBondContact CA-O 3.25Å; S445-R503 PolarHBondContact N-O 3.46Å; S445-I504 CarbonylContact O-C 3.51Å; S445-I504 WeakPolarHBondContact O-CA 2.96Å; S445-L505 PolarHBondContact O-N 2.62Å
446	A	96.2	Very high	75.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.7	171.6	0	0	0	0	0	109.7	V461 A747 V750 L751	A446-V461 PolarHBondContact N-O 3.48Å; A446-V461 PolarHBondContact O-N 3.4Å; A446-A747 HydrophobicContact CB-CB 4.1Å; A446-V750 HydrophobicContact CB-CB 3.58Å; A446-V750 HydrophobicContact CB-CG1 3.71Å; A446-V750 HydrophobicContact CB-CG2 4.03Å; A446-L751 HydrophobicContact CB-CD1 4.49Å; A446-L751 HydrophobicContact CB-CD2 3.83Å; A446-L751 HydrophobicContact CB-CG 3.88Å
447	L	97.1	Very high	78.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	165.8	-170.2	69.4	0	0	0	108.4	V458 A459 I460 C490 A493 V494 I504 G506 V507 G508 L545	L447-V458 HydrophobicContact CD1-CG1 3.61Å; L447-V458 HydrophobicContact CG-CG1 4.1Å; L447-A459 CarbonylContact C-O 3.37Å; L447-A459 WeakPolarHBondContact CA-O 3.41Å; L447-I460 HydrophobicContact CD1-CG1 4.4Å; L447-C490 HydrophobicContact CD2-CB 3.73Å; L447-A493 HydrophobicContact CD1-CB 3.35Å; L447-V494 HydrophobicContact CD2-CG2 4.22Å; L447-I504 HydrophobicContact CB-CG2 3.86Å; L447-G506 PolarHBondContact N-O 2.97Å; L447-V507 HydrophobicContact CB-CG1 4.43Å; L447-V507 HydrophobicContact CB-CG2 4.23Å; L447-V507 HydrophobicContact CD2-CG1 4.22Å; L447-V507 HydrophobicContact CD2-CG2 3.95Å; L447-V507 HydrophobicContact CG-CG1 4.43Å; L447-V507 CarbonylContact O-C 3.24Å; L447-V507 VanDerWaalsContact O-CA 3.27Å; L447-V507 WeakPolarHBondContact O-CA 3.36Å; L447-G508 PolarHBondContact O-N 2.97Å; L447-L545 HydrophobicContact CD2-CD1 4.45Å
448	A	97.6	Very high	81.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.4	179.4	0	0	0	0	0	110.5	V458 A459 V461 G508 L743 A746 A747	A448-V458 CarbonylContact O-C 3.27Å; A448-V458 VanDerWaalsContact O-CA 3.24Å; A448-V458 WeakPolarHBondContact O-CA 3.45Å; A448-A459 PolarHBondContact N-O 2.95Å; A448-A459 PolarHBondContact O-N 3.45Å; A448-V461 HydrophobicContact CB-CG2 4.05Å; A448-G508 CarbonylContact C-O 3.54Å; A448-G508 WeakPolarHBondContact CA-O 3.22Å; A448-L743 HydrophobicContact CB-CD1 3.75Å; A448-L743 HydrophobicContact CB-CG 3.99Å; A448-L743 VanDerWaalsContact CB-O 3.25Å; A448-L743 WeakPolarHBondContact CB-O 3.44Å; A448-L743 WeakPolarHBondContact O-CD1 3.29Å; A448-A746 HydrophobicContact CB-CB 4.13Å; A448-A747 HydrophobicContact CB-CB 4.02Å
449	V	97.6	Very high	83.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.7	175	-174.7	0	0	0	0	108.1	L451 R457 V458 V507 G508 I509 S510	V449-L451 HydrophobicContact CG1-CD1 4.5Å; V449-L451 HydrophobicContact CG1-CG 4.2Å; V449-R457 CarbonylContact C-O 3.37Å; V449-R457 VanDerWaalsContact CA-O 3.32Å; V449-R457 WeakPolarHBondContact CA-O 3.28Å; V449-V458 HydrophobicContact CG1-CG2 4.28Å; V449-V458 HydrophobicContact CG2-CG2 4.16Å; V449-V507 HydrophobicContact CG2-CG1 3.95Å; V449-G508 PolarHBondContact N-O 2.75Å; V449-I509 HydrophobicContact CB-CB 4.39Å; V449-I509 HydrophobicContact CB-CG1 4.1Å; V449-I509 HydrophobicContact CB-CG2 4.19Å; V449-I509 HydrophobicContact CG1-CG2 4.31Å; V449-I509 HydrophobicContact CG2-CG1 4.26Å; V449-I509 CarbonylContact O-C 3.58Å; V449-I509 WeakPolarHBondContact O-CA 3.38Å; V449-S510 PolarHBondContact O-N 2.8Å
450	D	94.8	Very high	86.2	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.9	173	177.2	52.2	0	0	0	109.8	R457 S510 L743	D450-R457 HydrophobicContact CB-CB 4.33Å; D450-R457 PolarHBondContact N-O 3.49Å; D450-R457 PolarHBondContact O-N 3.07Å; D450-R457 IonicContact OD2-CZ 3.38Å; D450-R457 IonicContact OD2-NH1 3.71Å; D450-R457 PolarHBondContact OD2-NH1 3.23Å; D450-S510 WeakPolarHBondContact CA-O 3.3Å; D450-S510 PolarHBondContact OD1-OG 2.76Å; D450-L743 HydrophobicContact CB-CB 4.29Å; D450-L743 HydrophobicContact CB-CD1 3.64Å
451	L	90	Very high	88.5	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	78.7	-179.2	-70.7	161.5	0	0	0	109.5	V449 L456 R482 I486 I509 S510 G512 W532 L537	V449-L451 HydrophobicContact CG1-CD1 4.5Å; V449-L451 HydrophobicContact CG1-CG 4.2Å; L451-L456 HydrophobicContact CD2-CB 4.4Å; L451-L456 HydrophobicContact CD2-CD1 3.35Å; L451-L456 HydrophobicContact CD2-CG 3.57Å; L451-R482 HydrophobicContact CD2-CG 4.27Å; L451-I486 HydrophobicContact CD1-CD1 3.8Å; L451-I486 HydrophobicContact CD2-CD1 3.84Å; L451-I486 HydrophobicContact CD2-CG1 4.01Å; L451-I486 HydrophobicContact CG-CD1 4.43Å; L451-I509 HydrophobicContact CD1-CG2 3.9Å; L451-S510 PolarHBondContact N-O 2.93Å; L451-G512 PolarHBondContact O-N 2.95Å; L451-W532 HydrophobicContact CD1-CH2 4.28Å; L451-W532 HydrophobicContact CD1-CZ2 3.75Å; L451-L537 HydrophobicContact CD1-CD1 4.36Å
452	G	81.4	Confident	90.4	Very high	16 Å²	16	22.9 Å²	22.9	17%	0.165	13%	0.13	C	C	.	.			trans	-80.4	166	175.1	0	0	0	0	0	112.9	T454 N455 N475	G452-T454 PolarHBondContact O-N 3.38Å; G452-N455 PolarHBondContact N-O 3.45Å; G452-N455 VanDerWaalsContact N-O 3.17Å; G452-N475 PolarHBondContact O-ND2 2.92Å
453	G	77	Confident	91.4	Very high	31 Å²	31	21.7 Å²	21.7	32%	0.32	13%	0.125	S	C	.	.	S	Bend	trans	-66.6	-5.4	179.1	0	0	0	0	0	116.1
454	T	80.2	Confident	91.7	Very high	89 Å²	89	25.1 Å²	25.1	55%	0.546	14%	0.137	S	C	.	.	S	Bend	trans	-130.7	-43.8	-178.4	-52.7	0	0	0	0	112.1	G452 N475	G452-T454 PolarHBondContact O-N 3.38Å; T454-N475 PolarHBondContact O-N 3.38Å
455	N	87.8	Confident	91.8	Very high	54 Å²	54	21.3 Å²	21.3	29%	0.289	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.2	-176.9	-59.7	-48.3	0	0	0	110.3	G452 T472 E473	G452-N455 PolarHBondContact N-O 3.45Å; G452-N455 VanDerWaalsContact N-O 3.17Å; N455-T472 HydrophobicContact CB-CG2 4.09Å; N455-E473 CarbonylContact C-O 3.59Å; N455-E473 WeakPolarHBondContact CA-O 3.37Å
456	L	93.4	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.4	166.3	-170.1	158.5	0	0	0	108	L451 V458 T472 E473 N475 R482 L485 I486 M489	L451-L456 HydrophobicContact CD2-CB 4.4Å; L451-L456 HydrophobicContact CD2-CD1 3.35Å; L451-L456 HydrophobicContact CD2-CG 3.57Å; L456-V458 HydrophobicContact CD2-CG2 3.91Å; L456-T472 WeakPolarHBondContact O-CA 3.45Å; L456-E473 PolarHBondContact N-O 2.91Å; L456-E473 PolarHBondContact O-N 3.43Å; L456-N475 HydrophobicContact CB-CB 4.45Å; L456-R482 HydrophobicContact CD1-CG 4.37Å; L456-L485 HydrophobicContact CD1-CD2 4.14Å; L456-L485 HydrophobicContact CD1-CG 4.3Å; L456-I486 HydrophobicContact CD1-CG1 3.62Å; L456-M489 HydrophobicContact CD2-CE 3.85Å; L456-M489 HydrophobicContact CD2-SD 3.43Å; L456-M489 WeakPolarHBondContact CD2-SD 3.44Å
457	R	96.2	Very high	91.6	Very high	59 Å²	59	29.1 Å²	29.1	22%	0.223	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.7	-178.3	-56.1	168.7	-174.4	135.1	-15.3	109.9	V449 D450 Y471 T472 E740 L743	V449-R457 CarbonylContact C-O 3.37Å; V449-R457 VanDerWaalsContact CA-O 3.32Å; V449-R457 WeakPolarHBondContact CA-O 3.28Å; D450-R457 HydrophobicContact CB-CB 4.33Å; D450-R457 PolarHBondContact N-O 3.49Å; D450-R457 PolarHBondContact O-N 3.07Å; D450-R457 IonicContact OD2-CZ 3.38Å; D450-R457 IonicContact OD2-NH1 3.71Å; D450-R457 PolarHBondContact OD2-NH1 3.23Å; R457-Y471 VanDerWaalsContact CA-O 3.3Å; R457-Y471 WeakPolarHBondContact CA-O 3.35Å; R457-T472 HydrophobicContact CG-CG2 4.14Å; R457-E740 IonicContact NH1-OE2 3.92Å; R457-L743 HydrophobicContact CB-CD1 4.43Å
458	V	97.6	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.4	171.2	179.3	0	0	0	0	107.9	L447 A448 V449 L456 K470 Y471 M489 A493	L447-V458 HydrophobicContact CD1-CG1 3.61Å; L447-V458 HydrophobicContact CG-CG1 4.1Å; A448-V458 CarbonylContact O-C 3.27Å; A448-V458 VanDerWaalsContact O-CA 3.24Å; A448-V458 WeakPolarHBondContact O-CA 3.45Å; V449-V458 HydrophobicContact CG1-CG2 4.28Å; V449-V458 HydrophobicContact CG2-CG2 4.16Å; L456-V458 HydrophobicContact CD2-CG2 3.91Å; V458-K470 CarbonylContact O-C 3.56Å; V458-K470 WeakPolarHBondContact O-CA 3.34Å; V458-Y471 HydrophobicContact CB-CD2 4.39Å; V458-Y471 PolarHBondContact N-O 2.96Å; V458-Y471 VanDerWaalsContact N-O 3.12Å; V458-Y471 WeakPolarHBondContact O-CD2 3.28Å; V458-Y471 PolarHBondContact O-N 3.33Å; V458-M489 HydrophobicContact CB-CB 4.16Å; V458-M489 HydrophobicContact CB-CE 4.24Å; V458-M489 HydrophobicContact CG2-CB 3.6Å; V458-M489 HydrophobicContact CG2-CE 4.02Å; V458-A493 HydrophobicContact CG1-CB 3.86Å
459	A	97.4	Very high	91.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.5	179.7	0	0	0	0	0	112.8	L447 A448 V461 I467 K469 K470 L743	L447-A459 CarbonylContact C-O 3.37Å; L447-A459 WeakPolarHBondContact CA-O 3.41Å; A448-A459 PolarHBondContact N-O 2.95Å; A448-A459 PolarHBondContact O-N 3.45Å; A459-V461 HydrophobicContact CB-CG2 4.08Å; A459-I467 HydrophobicContact CB-CG2 4.03Å; A459-K469 CarbonylContact C-O 3.54Å; A459-K469 WeakPolarHBondContact CA-O 3.37Å; A459-K469 WeakPolarHBondContact CB-O 3.26Å; A459-K470 HydrophobicContact CB-CB 4.32Å; A459-K470 HydrophobicContact CB-CG 4.34Å; A459-L743 HydrophobicContact CB-CD1 4.35Å; A459-L743 HydrophobicContact CB-CD2 3.6Å; A459-L743 HydrophobicContact CB-CG 4.09Å
460	I	97.2	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.3	166.4	-55.4	168	0	0	0	106.4	L447 V468 K469 A493 D496 A497 L500 C502 I504	L447-I460 HydrophobicContact CD1-CG1 4.4Å; I460-V468 HydrophobicContact CB-CB 4.34Å; I460-V468 HydrophobicContact CG2-CB 4.22Å; I460-V468 HydrophobicContact CG2-CG2 4.45Å; I460-V468 PolarHBondContact O-N 3Å; I460-K469 HydrophobicContact CD1-CB 4.22Å; I460-K469 PolarHBondContact N-O 3.3Å; I460-A493 WeakPolarHBondContact CD1-O 3.42Å; I460-A493 HydrophobicContact CG1-CB 4.4Å; I460-D496 HydrophobicContact CD1-CB 4.33Å; I460-A497 HydrophobicContact CD1-CB 3.89Å; I460-L500 HydrophobicContact CD1-CD1 4.22Å; I460-C502 HydrophobicContact CG2-CB 4.08Å; I460-I504 HydrophobicContact CG1-CD1 4.45Å; I460-I504 HydrophobicContact CG2-CD1 3.88Å
461	V	95.9	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122	-175.4	-174.4	0	0	0	0	109.2	S445 A446 A448 A459 N466 I467 L744 A747	S445-V461 CarbonylContact C-O 3.6Å; S445-V461 WeakPolarHBondContact CA-O 3.37Å; S445-V461 WeakPolarHBondContact CB-O 3.37Å; A446-V461 PolarHBondContact N-O 3.48Å; A446-V461 PolarHBondContact O-N 3.4Å; A448-V461 HydrophobicContact CB-CG2 4.05Å; A459-V461 HydrophobicContact CB-CG2 4.08Å; V461-N466 WeakPolarHBondContact CA-O 3.27Å; V461-I467 HydrophobicContact CG2-CG1 4.16Å; V461-L744 HydrophobicContact CG1-CD2 3.85Å; V461-A747 HydrophobicContact CB-CB 3.62Å; V461-A747 HydrophobicContact CG1-CB 3.72Å; V461-A747 HydrophobicContact CG2-CB 3.88Å
462	C	91.9	Very high	91.7	Very high	5 Å²	5	45 Å²	45	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	169.4	179.9	78.4	0	0	0	0	112.3	T443 Q444 Q464 G465 N466 V468	T443-C462 HydrophobicContact CG2-CB 3.6Å; Q444-C462 CarbonylContact O-C 3.48Å; Q444-C462 WeakPolarHBondContact O-CA 3.37Å; C462-Q464 PolarHBondContact O-N 3.35Å; C462-Q464 VanDerWaalsContact O-N 3.09Å; C462-Q464 PolarHBondContact SG-OE1 3.39Å; C462-G465 PolarHBondContact O-N 2.79Å; C462-N466 PolarHBondContact N-O 3.13Å; C462-N466 VanDerWaalsContact SG-CB 3.55Å; C462-N466 PolarHBondContact SG-N 3.34Å; C462-V468 HydrophobicContact CB-CG2 4.19Å
463	M	88.6	Confident	92.4	Very high	43 Å²	43	48.9 Å²	48.9	21%	0.212	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.5	179.7	-164.9	65.9	-161	0	0	114.3	Q444 G465 L751 T755	Q444-M463 PolarHBondContact O-N 2.92Å; M463-G465 VanDerWaalsContact C-N 3.26Å; M463-G465 PolarHBondContact O-N 3.5Å; M463-L751 HydrophobicContact CE-CB 4.3Å; M463-L751 HydrophobicContact SD-CB 3.93Å; M463-L751 HydrophobicContact SD-CD2 3.75Å; M463-L751 HydrophobicContact SD-CG 4.26Å; M463-T755 HydrophobicContact CE-CG2 3.32Å; M463-T755 HydrophobicContact SD-CG2 3.95Å
464	Q	86.9	Confident	93.1	Very high	132 Å²	132	51.6 Å²	51.6	62%	0.617	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.4	177.7	-62.8	74.6	25	0	0	113.5	C462	C462-Q464 PolarHBondContact O-N 3.35Å; C462-Q464 VanDerWaalsContact O-N 3.09Å; C462-Q464 PolarHBondContact SG-OE1 3.39Å
465	G	89.2	Confident	93.6	Very high	12 Å²	12	48.4 Å²	48.4	12%	0.124	25%	0.247	C	C	.	.	S	Bend	trans	87.6	10.1	-177	0	0	0	0	0	114.4	C462 M463 L744	C462-G465 PolarHBondContact O-N 2.79Å; M463-G465 VanDerWaalsContact C-N 3.26Å; M463-G465 PolarHBondContact O-N 3.5Å; G465-L744 VanDerWaalsContact O-CD2 3.28Å; G465-L744 WeakPolarHBondContact O-CD2 3.38Å
466	N	91.9	Very high	93.8	Very high	105 Å²	105	47.1 Å²	47.1	56%	0.561	24%	0.242	S	C	*	.			trans	-80.6	129.9	175.8	-56.7	-36.1	0	0	0	110.2	V461 C462 V468	V461-N466 WeakPolarHBondContact CA-O 3.27Å; C462-N466 PolarHBondContact N-O 3.13Å; C462-N466 VanDerWaalsContact SG-CB 3.55Å; C462-N466 PolarHBondContact SG-N 3.34Å; N466-V468 PolarHBondContact O-N 3.25Å
467	I	94.6	Very high	93.4	Very high	59 Å²	59	54.6 Å²	54.6	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.2	172.2	-63.2	168.7	0	0	0	108.1	A459 V461 K470 E740 L743 L744	A459-I467 HydrophobicContact CB-CG2 4.03Å; V461-I467 HydrophobicContact CG2-CG1 4.16Å; I467-K470 HydrophobicContact CG2-CB 3.94Å; I467-E740 HydrophobicContact CD1-CB 4.25Å; I467-E740 HydrophobicContact CD1-CG 4.24Å; I467-L743 HydrophobicContact CD1-CD2 4.39Å; I467-L744 HydrophobicContact CD1-CD2 4.42Å; I467-L744 HydrophobicContact CG1-CD2 4.13Å
468	V	93.8	Very high	93.1	Very high	63 Å²	63	54.1 Å²	54.1	38%	0.382	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-41.7	179.7	-176.1	0	0	0	0	110.4	I460 C462 N466 L500	I460-V468 HydrophobicContact CB-CB 4.34Å; I460-V468 HydrophobicContact CG2-CB 4.22Å; I460-V468 HydrophobicContact CG2-CG2 4.45Å; I460-V468 PolarHBondContact O-N 3Å; C462-V468 HydrophobicContact CB-CG2 4.19Å; N466-V468 PolarHBondContact O-N 3.25Å; V468-L500 HydrophobicContact CG1-CD1 4.11Å
469	K	96.1	Very high	92.8	Very high	77 Å²	77	57.7 Å²	57.7	34%	0.335	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	143.6	176.3	-170	163	-176.1	175.3	0	110.4	A459 I460 Y471 D496 L500	A459-K469 CarbonylContact C-O 3.54Å; A459-K469 WeakPolarHBondContact CA-O 3.37Å; A459-K469 WeakPolarHBondContact CB-O 3.26Å; I460-K469 HydrophobicContact CD1-CB 4.22Å; I460-K469 PolarHBondContact N-O 3.3Å; K469-Y471 HydrophobicContact CD-CE2 4.35Å; K469-Y471 WeakPolarHBondContact CD-OH 3.26Å; K469-Y471 WeakPolarHBondContact CE-OH 3.23Å; K469-Y471 HydrophobicContact CG-CE2 4.16Å; K469-D496 HydrophobicContact CD-CB 4.36Å; K469-D496 WeakPolarHBondContact CE-OD2 3.39Å; K469-D496 IonicContact NZ-OD2 2.71Å; K469-D496 PolarHBondContact NZ-OD2 3Å; K469-L500 HydrophobicContact CB-CD1 4.14Å; K469-L500 HydrophobicContact CD-CD1 4.09Å
470	K	96.6	Very high	92.6	Very high	89 Å²	89	64.9 Å²	64.9	39%	0.387	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.9	179.1	-173.6	169.2	70.7	-177.7	0	110.6	V458 A459 I467 E740 L743	V458-K470 CarbonylContact O-C 3.56Å; V458-K470 WeakPolarHBondContact O-CA 3.34Å; A459-K470 HydrophobicContact CB-CB 4.32Å; A459-K470 HydrophobicContact CB-CG 4.34Å; I467-K470 HydrophobicContact CG2-CB 3.94Å; K470-E740 IonicContact NZ-OE1 3.85Å; K470-E740 PolarHBondContact NZ-OE1 2.95Å; K470-L743 HydrophobicContact CD-CD2 4.02Å; K470-L743 HydrophobicContact CG-CD2 4.49Å
471	Y	95.9	Very high	92.4	Very high	43 Å²	43	69.4 Å²	69.4	17%	0.169	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.6	171.1	-53.6	-90.4	0	0	0	108.3	R457 V458 K469 M489 A493 D496	R457-Y471 VanDerWaalsContact CA-O 3.3Å; R457-Y471 WeakPolarHBondContact CA-O 3.35Å; V458-Y471 HydrophobicContact CB-CD2 4.39Å; V458-Y471 PolarHBondContact N-O 2.96Å; V458-Y471 VanDerWaalsContact N-O 3.12Å; V458-Y471 WeakPolarHBondContact O-CD2 3.28Å; V458-Y471 PolarHBondContact O-N 3.33Å; K469-Y471 HydrophobicContact CD-CE2 4.35Å; K469-Y471 WeakPolarHBondContact CD-OH 3.26Å; K469-Y471 WeakPolarHBondContact CE-OH 3.23Å; K469-Y471 HydrophobicContact CG-CE2 4.16Å; Y471-M489 VanDerWaalsContact CB-CE 3.45Å; Y471-A493 HydrophobicContact CD2-CB 4.13Å; Y471-A493 HydrophobicContact CE2-CB 3.57Å; Y471-D496 VanDerWaalsContact OH-CB 3.24Å; Y471-D496 WeakPolarHBondContact OH-CB 3.36Å; Y471-D496 PolarHBondContact OH-OD2 2.81Å
472	T	96.2	Very high	92.3	Very high	67 Å²	67	69.6 Å²	69.6	41%	0.411	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	124.5	179.1	-61.2	0	0	0	0	108.8	N455 L456 R457	N455-T472 HydrophobicContact CB-CG2 4.09Å; L456-T472 WeakPolarHBondContact O-CA 3.45Å; R457-T472 HydrophobicContact CG-CG2 4.14Å
473	E	95.9	Very high	92.4	Very high	98 Å²	98	70.1 Å²	70.1	46%	0.458	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155	177.6	-69.8	-67.5	169.7	0	0	109.2	N455 L456 N475 L485 M489	N455-E473 CarbonylContact C-O 3.59Å; N455-E473 WeakPolarHBondContact CA-O 3.37Å; L456-E473 PolarHBondContact N-O 2.91Å; L456-E473 PolarHBondContact O-N 3.43Å; E473-N475 PolarHBondContact O-N 2.83Å; E473-L485 HydrophobicContact CB-CD1 4.41Å; E473-L485 HydrophobicContact CB-CD2 3.94Å; E473-L485 HydrophobicContact CG-CD1 4.32Å; E473-M489 HydrophobicContact CB-CE 4.24Å; E473-M489 HydrophobicContact CB-SD 3.85Å; E473-M489 HydrophobicContact CG-CE 3.95Å; E473-M489 HydrophobicContact CG-SD 3.64Å
474	P	92.8	Very high	92.8	Very high	88 Å²	88	74.4 Å²	74.4	57%	0.571	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	135.2	171.1	-21.8	33.6	0	0	0	110.9	P476	P474-P476 VanDerWaalsContact O-CD 3.24Å; P474-P476 WeakPolarHBondContact O-CD 3.28Å
475	N	89.2	Confident	93.2	Very high	22 Å²	22	69.5 Å²	69.5	12%	0.118	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-70.8	119.1	177.5	-175.1	4.9	0	0	0	110	G452 T454 L456 E473 R482	G452-N475 PolarHBondContact O-ND2 2.92Å; T454-N475 PolarHBondContact O-N 3.38Å; L456-N475 HydrophobicContact CB-CB 4.45Å; E473-N475 PolarHBondContact O-N 2.83Å; N475-R482 WeakPolarHBondContact OD1-CD 3.14Å; N475-R482 PolarHBondContact OD1-NE 2.86Å
476	P	92.2	Very high	93.5	Very high	27 Å²	27	69 Å²	69	18%	0.175	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.6	153.4	179.3	-24.5	36.4	0	0	0	112.9	P474 D481 R482 L485	P474-P476 VanDerWaalsContact O-CD 3.24Å; P474-P476 WeakPolarHBondContact O-CD 3.28Å; P476-D481 HydrophobicContact CB-CB 3.64Å; P476-D481 HydrophobicContact CG-CB 4.19Å; P476-R482 HydrophobicContact CB-CB 4.27Å; P476-R482 HydrophobicContact CG-CB 4.43Å; P476-R482 PolarHBondContact O-NE 2.99Å; P476-R482 PolarHBondContact O-NH2 3.34Å; P476-L485 HydrophobicContact CG-CB 4.28Å; P476-L485 HydrophobicContact CG-CD2 3.67Å
477	K	86.3	Confident	93.7	Very high	158 Å²	158	65.8 Å²	65.8	69%	0.687	33%	0.329	S	S	*	.	S	Bend	trans	-84.9	-25.1	-177.4	-66.4	-175.7	179.6	178.3	0	113.4	Q530	K477-Q530 WeakPolarHBondContact O-CB 3.27Å
478	T	89.9	Confident	93.8	Very high	49 Å²	49	68.4 Å²	68.4	30%	0.301	34%	0.338	S	S	.	.	S	Bend	trans	-96.9	154.8	178.5	61.6	0	0	0	0	110.6	D481 R482 E531	T478-D481 VanDerWaalsContact OG1-CB 3.26Å; T478-D481 WeakPolarHBondContact OG1-CB 3.48Å; T478-D481 PolarHBondContact OG1-N 2.94Å; T478-D481 PolarHBondContact OG1-OD2 3.5Å; T478-R482 WeakPolarHBondContact O-CB 3.45Å; T478-R482 PolarHBondContact O-N 3.02Å; T478-E531 WeakPolarHBondContact CA-OE2 3.38Å
479	F	91	Very high	94	Very high	74 Å²	74	65.8 Å²	65.8	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-48.5	176.7	166.2	-103	0	0	0	112.3	R482 M483 E531 W532 V535	F479-R482 PolarHBondContact O-N 3.22Å; F479-M483 HydrophobicContact CD2-CG 3.98Å; F479-M483 HydrophobicContact CE1-CG 4.29Å; F479-M483 HydrophobicContact CE2-CG 3.38Å; F479-M483 HydrophobicContact CE2-SD 4.12Å; F479-M483 HydrophobicContact CZ-CG 3.58Å; F479-M483 PolarHBondContact O-N 3.5Å; F479-E531 HydrophobicContact CB-CB 3.88Å; F479-E531 PolarHBondContact N-OE2 2.99Å; F479-W532 HydrophobicContact CD2-CE3 4.25Å; F479-W532 AromaticContact CD2-CZ3 3.98Å; F479-W532 HydrophobicContact CD2-CZ3 3.98Å; F479-W532 HydrophobicContact CE2-CZ3 4.35Å; F479-V535 HydrophobicContact CD2-CG1 4.25Å; F479-V535 HydrophobicContact CD2-CG2 3.96Å; F479-V535 HydrophobicContact CE2-CB 4.39Å; F479-V535 HydrophobicContact CE2-CG1 3.59Å; F479-V535 HydrophobicContact CE2-CG2 3.93Å
480	E	91.8	Very high	94	Very high	152 Å²	152	62.1 Å²	62.1	71%	0.71	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-48.5	-175	-68	-171.6	167.1	0	0	112	R482 M483 H484	E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 PolarHBondContact O-N 2.8Å; E480-M483 PolarHBondContact O-N 3.04Å; E480-H484 WeakPolarHBondContact O-CB 3.36Å; E480-H484 PolarHBondContact O-N 2.83Å
481	D	93.8	Very high	93.9	Very high	95 Å²	95	62.7 Å²	62.7	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-36.3	179.5	-65.9	-34.2	0	0	0	111.1	P476 T478 L485	P476-D481 HydrophobicContact CB-CB 3.64Å; P476-D481 HydrophobicContact CG-CB 4.19Å; T478-D481 VanDerWaalsContact OG1-CB 3.26Å; T478-D481 WeakPolarHBondContact OG1-CB 3.48Å; T478-D481 PolarHBondContact OG1-N 2.94Å; T478-D481 PolarHBondContact OG1-OD2 3.5Å; D481-L485 VanDerWaalsContact O-CB 3.27Å; D481-L485 WeakPolarHBondContact O-CB 3.39Å; D481-L485 PolarHBondContact O-N 2.91Å
482	R	94.3	Very high	93.8	Very high	3 Å²	3	63.5 Å²	63.5	1%	0.011	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-49.1	177.6	-170.1	-177.7	-58.5	130.8	10	111.3	L451 L456 N475 P476 T478 F479 E480 H484 L485 I486 Q530 W532	L451-R482 HydrophobicContact CD2-CG 4.27Å; L456-R482 HydrophobicContact CD1-CG 4.37Å; N475-R482 WeakPolarHBondContact OD1-CD 3.14Å; N475-R482 PolarHBondContact OD1-NE 2.86Å; P476-R482 HydrophobicContact CB-CB 4.27Å; P476-R482 HydrophobicContact CG-CB 4.43Å; P476-R482 PolarHBondContact O-NE 2.99Å; P476-R482 PolarHBondContact O-NH2 3.34Å; T478-R482 WeakPolarHBondContact O-CB 3.45Å; T478-R482 PolarHBondContact O-N 3.02Å; F479-R482 PolarHBondContact O-N 3.22Å; E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 PolarHBondContact O-N 2.8Å; R482-H484 VanDerWaalsContact C-N 3.32Å; R482-H484 PolarHBondContact O-N 3.49Å; R482-L485 PolarHBondContact O-N 2.78Å; R482-I486 HydrophobicContact CG-CD1 4.22Å; R482-I486 VanDerWaalsContact O-CG1 3.28Å; R482-I486 WeakPolarHBondContact O-CG1 3.16Å; R482-I486 PolarHBondContact O-N 3.5Å; R482-Q530 PolarHBondContact NH1-O 3.16Å; R482-Q530 PolarHBondContact NH2-O 3.31Å; R482-W532 VanDerWaalsContact CD-CZ3 3.47Å; R482-W532 HydrophobicContact CG-CH2 4.29Å; R482-W532 HydrophobicContact CG-CZ3 4.31Å; R482-W532 VanDerWaalsContact NH1-CD2 3.35Å
483	M	94.6	Very high	93.8	Very high	17 Å²	17	60.3 Å²	60.3	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-40.7	178	-73	-54.5	-62.2	0	0	112	F479 E480 L485 I486 L487 W532 L537 P540 I541	F479-M483 HydrophobicContact CD2-CG 3.98Å; F479-M483 HydrophobicContact CE1-CG 4.29Å; F479-M483 HydrophobicContact CE2-CG 3.38Å; F479-M483 HydrophobicContact CE2-SD 4.12Å; F479-M483 HydrophobicContact CZ-CG 3.58Å; F479-M483 PolarHBondContact O-N 3.5Å; E480-M483 PolarHBondContact O-N 3.04Å; M483-L485 VanDerWaalsContact C-N 3.35Å; M483-L485 PolarHBondContact O-N 3.4Å; M483-I486 PolarHBondContact O-N 2.95Å; M483-I486 HydrophobicContact SD-CD1 3.99Å; M483-L487 WeakPolarHBondContact O-CG 3.22Å; M483-L487 PolarHBondContact O-N 3.01Å; M483-L487 VanDerWaalsContact O-N 3.07Å; M483-W532 HydrophobicContact SD-CH2 4.23Å; M483-W532 HydrophobicContact SD-CZ3 4.43Å; M483-L537 HydrophobicContact CE-CD2 4.13Å; M483-L537 HydrophobicContact SD-CD2 3.52Å; M483-L537 VanDerWaalsContact SD-CD2 3.52Å; M483-P540 HydrophobicContact CE-CB 4.13Å; M483-P540 HydrophobicContact CE-CG 3.59Å; M483-I541 HydrophobicContact CE-CG1 4.4Å
484	H	95.1	Very high	93.5	Very high	133 Å²	133	57.8 Å²	57.8	62%	0.616	29%	0.287	S	S	*	.	H	α-helix	trans	-61	-44.8	175	-171.2	77.1	0	0	0	111.6	E480 R482 L487 K488	E480-H484 WeakPolarHBondContact O-CB 3.36Å; E480-H484 PolarHBondContact O-N 2.83Å; R482-H484 VanDerWaalsContact C-N 3.32Å; R482-H484 PolarHBondContact O-N 3.49Å; H484-L487 PolarHBondContact O-N 3.31Å; H484-K488 WeakPolarHBondContact O-CB 3.41Å; H484-K488 PolarHBondContact O-N 3.41Å
485	L	96.3	Very high	93.4	Very high	29 Å²	29	59.3 Å²	59.3	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-42	178.8	-175.3	61.9	0	0	0	112.5	L456 E473 P476 D481 R482 M483 K488 M489	L456-L485 HydrophobicContact CD1-CD2 4.14Å; L456-L485 HydrophobicContact CD1-CG 4.3Å; E473-L485 HydrophobicContact CB-CD1 4.41Å; E473-L485 HydrophobicContact CB-CD2 3.94Å; E473-L485 HydrophobicContact CG-CD1 4.32Å; P476-L485 HydrophobicContact CG-CB 4.28Å; P476-L485 HydrophobicContact CG-CD2 3.67Å; D481-L485 VanDerWaalsContact O-CB 3.27Å; D481-L485 WeakPolarHBondContact O-CB 3.39Å; D481-L485 PolarHBondContact O-N 2.91Å; R482-L485 PolarHBondContact O-N 2.78Å; M483-L485 VanDerWaalsContact C-N 3.35Å; M483-L485 PolarHBondContact O-N 3.4Å; L485-K488 PolarHBondContact O-N 3.28Å; L485-M489 HydrophobicContact CD1-CG 3.99Å; L485-M489 HydrophobicContact CD1-SD 3.79Å; L485-M489 HydrophobicContact CD2-SD 4.33Å; L485-M489 HydrophobicContact CG-CG 4.37Å; L485-M489 HydrophobicContact CG-SD 3.78Å; L485-M489 WeakPolarHBondContact O-CB 3.33Å; L485-M489 WeakPolarHBondContact O-CG 3.39Å; L485-M489 PolarHBondContact O-N 3.15Å
486	I	95.8	Very high	93.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-54.1	174.9	-66.5	164.8	0	0	0	109.7	L451 L456 R482 M483 K488 M489 C490 W532 I541	L451-I486 HydrophobicContact CD1-CD1 3.8Å; L451-I486 HydrophobicContact CD2-CD1 3.84Å; L451-I486 HydrophobicContact CD2-CG1 4.01Å; L451-I486 HydrophobicContact CG-CD1 4.43Å; L456-I486 HydrophobicContact CD1-CG1 3.62Å; R482-I486 HydrophobicContact CG-CD1 4.22Å; R482-I486 VanDerWaalsContact O-CG1 3.28Å; R482-I486 WeakPolarHBondContact O-CG1 3.16Å; R482-I486 PolarHBondContact O-N 3.5Å; M483-I486 PolarHBondContact O-N 2.95Å; M483-I486 HydrophobicContact SD-CD1 3.99Å; I486-K488 VanDerWaalsContact C-N 3.31Å; I486-K488 PolarHBondContact O-N 3.22Å; I486-M489 PolarHBondContact O-N 3.32Å; I486-C490 WeakPolarHBondContact O-CB 3.35Å; I486-C490 PolarHBondContact O-N 3.03Å; I486-C490 PolarHBondContact O-SG 2.82Å; I486-W532 HydrophobicContact CD1-CH2 4.26Å; I486-I541 HydrophobicContact CG2-CD1 3.6Å; I486-I541 HydrophobicContact CG2-CG1 4.26Å
487	L	95.7	Very high	93.4	Very high	39 Å²	39	57.6 Å²	57.6	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-41.3	-177.5	-72	175	0	0	0	111.9	M483 H484 K491 I541 A544	M483-L487 WeakPolarHBondContact O-CG 3.22Å; M483-L487 PolarHBondContact O-N 3.01Å; M483-L487 VanDerWaalsContact O-N 3.07Å; H484-L487 PolarHBondContact O-N 3.31Å; L487-K491 WeakPolarHBondContact O-CB 3.25Å; L487-K491 VanDerWaalsContact O-CG 3.28Å; L487-K491 WeakPolarHBondContact O-CG 3.35Å; L487-K491 PolarHBondContact O-N 3.26Å; L487-I541 HydrophobicContact CD2-CB 4.41Å; L487-I541 HydrophobicContact CD2-CG1 3.96Å; L487-A544 HydrophobicContact CD2-CB 3.55Å
488	K	96.8	Very high	93.4	Very high	114 Å²	114	55.6 Å²	55.6	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-55.6	176.1	-178.5	-175.3	174.2	-169.1	0	111.2	H484 L485 I486 C490 K491 D492	H484-K488 WeakPolarHBondContact O-CB 3.41Å; H484-K488 PolarHBondContact O-N 3.41Å; L485-K488 PolarHBondContact O-N 3.28Å; I486-K488 VanDerWaalsContact C-N 3.31Å; I486-K488 PolarHBondContact O-N 3.22Å; K488-C490 VanDerWaalsContact C-N 3.28Å; K488-C490 PolarHBondContact O-N 3.24Å; K488-K491 PolarHBondContact O-N 2.95Å; K488-K491 VanDerWaalsContact O-N 3.15Å; K488-D492 VanDerWaalsContact O-CG 3.3Å; K488-D492 PolarHBondContact O-N 3.26Å
489	M	97.4	Very high	93.1	Very high	7 Å²	7	62.3 Å²	62.3	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-34.8	-177.7	-70.7	176.2	69.1	0	0	112.2	L456 V458 Y471 E473 L485 I486 A493	L456-M489 HydrophobicContact CD2-CE 3.85Å; L456-M489 HydrophobicContact CD2-SD 3.43Å; L456-M489 WeakPolarHBondContact CD2-SD 3.44Å; V458-M489 HydrophobicContact CB-CB 4.16Å; V458-M489 HydrophobicContact CB-CE 4.24Å; V458-M489 HydrophobicContact CG2-CB 3.6Å; V458-M489 HydrophobicContact CG2-CE 4.02Å; Y471-M489 VanDerWaalsContact CB-CE 3.45Å; E473-M489 HydrophobicContact CB-CE 4.24Å; E473-M489 HydrophobicContact CB-SD 3.85Å; E473-M489 HydrophobicContact CG-CE 3.95Å; E473-M489 HydrophobicContact CG-SD 3.64Å; L485-M489 HydrophobicContact CD1-CG 3.99Å; L485-M489 HydrophobicContact CD1-SD 3.79Å; L485-M489 HydrophobicContact CD2-SD 4.33Å; L485-M489 HydrophobicContact CG-CG 4.37Å; L485-M489 HydrophobicContact CG-SD 3.78Å; L485-M489 WeakPolarHBondContact O-CB 3.33Å; L485-M489 WeakPolarHBondContact O-CG 3.39Å; L485-M489 PolarHBondContact O-N 3.15Å; I486-M489 PolarHBondContact O-N 3.32Å; M489-A493 VanDerWaalsContact O-CB 3.25Å; M489-A493 WeakPolarHBondContact O-CB 3.44Å; M489-A493 PolarHBondContact O-N 3.31Å
490	C	96.3	Very high	93	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-43	174	-71.7	0	0	0	0	112.5	L447 I486 K488 A493 V494 L545	L447-C490 HydrophobicContact CD2-CB 3.73Å; I486-C490 WeakPolarHBondContact O-CB 3.35Å; I486-C490 PolarHBondContact O-N 3.03Å; I486-C490 PolarHBondContact O-SG 2.82Å; K488-C490 VanDerWaalsContact C-N 3.28Å; K488-C490 PolarHBondContact O-N 3.24Å; C490-A493 PolarHBondContact O-N 3.28Å; C490-V494 WeakPolarHBondContact O-CG2 3.24Å; C490-V494 PolarHBondContact O-N 2.91Å; C490-L545 HydrophobicContact CB-CD1 3.69Å; C490-L545 HydrophobicContact CB-CD2 4.32Å
491	K	94.5	Very high	92.6	Very high	101 Å²	101	58.9 Å²	58.9	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-44.7	175.9	-75.9	176	179.4	-178	0	111.7	L487 K488 A493 V494 Q495 L545	L487-K491 WeakPolarHBondContact O-CB 3.25Å; L487-K491 VanDerWaalsContact O-CG 3.28Å; L487-K491 WeakPolarHBondContact O-CG 3.35Å; L487-K491 PolarHBondContact O-N 3.26Å; K488-K491 PolarHBondContact O-N 2.95Å; K488-K491 VanDerWaalsContact O-N 3.15Å; K491-A493 VanDerWaalsContact C-N 3.31Å; K491-A493 PolarHBondContact O-N 3.43Å; K491-V494 PolarHBondContact O-N 3.44Å; K491-Q495 WeakPolarHBondContact O-CG 3.27Å; K491-Q495 PolarHBondContact O-N 3.34Å; K491-L545 HydrophobicContact CG-CD2 3.72Å
492	D	94.6	Very high	92.3	Very high	61 Å²	61	54.7 Å²	54.7	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-42.2	176.6	-66.1	-15.5	0	0	0	110.8	K488 Q495 D496	K488-D492 VanDerWaalsContact O-CG 3.3Å; K488-D492 PolarHBondContact O-N 3.26Å; D492-Q495 PolarHBondContact O-N 2.89Å; D492-D496 PolarHBondContact O-N 3.4Å
493	A	94.6	Very high	92	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-37.4	177	0	0	0	0	0	113.5	L447 V458 I460 Y471 M489 C490 K491 D496 A497	L447-A493 HydrophobicContact CD1-CB 3.35Å; V458-A493 HydrophobicContact CG1-CB 3.86Å; I460-A493 WeakPolarHBondContact CD1-O 3.42Å; I460-A493 HydrophobicContact CG1-CB 4.4Å; Y471-A493 HydrophobicContact CD2-CB 4.13Å; Y471-A493 HydrophobicContact CE2-CB 3.57Å; M489-A493 VanDerWaalsContact O-CB 3.25Å; M489-A493 WeakPolarHBondContact O-CB 3.44Å; M489-A493 PolarHBondContact O-N 3.31Å; C490-A493 PolarHBondContact O-N 3.28Å; K491-A493 VanDerWaalsContact C-N 3.31Å; K491-A493 PolarHBondContact O-N 3.43Å; A493-D496 PolarHBondContact O-N 3.09Å; A493-A497 WeakPolarHBondContact O-CB 2.99Å; A493-A497 PolarHBondContact O-N 2.82Å
494	V	91.4	Very high	91.9	Very high	44 Å²	44	58 Å²	58	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-42.5	174.7	168	0	0	0	0	111.1	L447 C490 K491 D496 A497 V498 L545 L547	L447-V494 HydrophobicContact CD2-CG2 4.22Å; C490-V494 WeakPolarHBondContact O-CG2 3.24Å; C490-V494 PolarHBondContact O-N 2.91Å; K491-V494 PolarHBondContact O-N 3.44Å; V494-D496 VanDerWaalsContact C-N 3.27Å; V494-D496 PolarHBondContact O-N 3.39Å; V494-A497 WeakPolarHBondContact O-CB 3.21Å; V494-A497 PolarHBondContact O-N 3.22Å; V494-V498 PolarHBondContact O-N 2.91Å; V494-L545 HydrophobicContact CG2-CD2 4.5Å; V494-L547 HydrophobicContact CG2-CD1 4.32Å
495	Q	90.4	Very high	91.7	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-60.3	-40.3	174.6	-70.8	176.8	9.9	0	0	111.6	K491 D492 V498 R499	K491-Q495 WeakPolarHBondContact O-CG 3.27Å; K491-Q495 PolarHBondContact O-N 3.34Å; D492-Q495 PolarHBondContact O-N 2.89Å; Q495-V498 PolarHBondContact O-N 3.27Å; Q495-R499 PolarHBondContact O-N 2.91Å
496	D	91.3	Very high	91.6	Very high	12 Å²	12	52 Å²	52	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-73	-31.1	178.7	-79.7	17.3	0	0	0	113.3	I460 K469 Y471 D492 A493 V494 V498 R499 L500	I460-D496 HydrophobicContact CD1-CB 4.33Å; K469-D496 HydrophobicContact CD-CB 4.36Å; K469-D496 WeakPolarHBondContact CE-OD2 3.39Å; K469-D496 IonicContact NZ-OD2 2.71Å; K469-D496 PolarHBondContact NZ-OD2 3Å; Y471-D496 VanDerWaalsContact OH-CB 3.24Å; Y471-D496 WeakPolarHBondContact OH-CB 3.36Å; Y471-D496 PolarHBondContact OH-OD2 2.81Å; D492-D496 PolarHBondContact O-N 3.4Å; A493-D496 PolarHBondContact O-N 3.09Å; V494-D496 VanDerWaalsContact C-N 3.27Å; V494-D496 PolarHBondContact O-N 3.39Å; D496-V498 VanDerWaalsContact C-N 3.31Å; D496-V498 PolarHBondContact O-N 2.86Å; D496-R499 PolarHBondContact O-N 2.9Å; D496-R499 IonicContact OD1-CZ 2.8Å; D496-R499 VanDerWaalsContact OD1-CZ 3.24Å; D496-R499 IonicContact OD1-NE 3.71Å; D496-R499 PolarHBondContact OD1-NE 3.48Å; D496-R499 VanDerWaalsContact OD1-NE 3.13Å; D496-R499 IonicContact OD1-NH2 2.7Å; D496-R499 PolarHBondContact OD1-NH2 3.1Å; D496-R499 IonicContact OD2-NH2 3.49Å; D496-L500 HydrophobicContact CB-CD1 4.45Å; D496-L500 VanDerWaalsContact O-CB 3.32Å; D496-L500 WeakPolarHBondContact O-CB 3.41Å; D496-L500 WeakPolarHBondContact O-CD1 3.49Å; D496-L500 WeakPolarHBondContact O-CG 3.46Å; D496-L500 PolarHBondContact O-N 3.49Å
497	A	90.2	Very high	91.7	Very high	1 Å²	1	52 Å²	52	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-44.2	174	0	0	0	0	0	111.2	I460 A493 V494 R499 L500 N501 C502 I504	I460-A497 HydrophobicContact CD1-CB 3.89Å; A493-A497 WeakPolarHBondContact O-CB 2.99Å; A493-A497 PolarHBondContact O-N 2.82Å; V494-A497 WeakPolarHBondContact O-CB 3.21Å; V494-A497 PolarHBondContact O-N 3.22Å; A497-R499 VanDerWaalsContact C-N 3.34Å; A497-R499 PolarHBondContact O-N 3.05Å; A497-L500 CarbonylContact O-C 3.51Å; A497-L500 PolarHBondContact O-N 2.86Å; A497-L500 VanDerWaalsContact O-N 3.16Å; A497-N501 PolarHBondContact O-N 3.35Å; A497-N501 VanDerWaalsContact O-N 3.16Å; A497-C502 CarbonylContact C-O 3.54Å; A497-C502 HydrophobicContact CB-CB 4.11Å; A497-C502 WeakPolarHBondContact CB-O 3.23Å; A497-C502 PolarHBondContact O-N 2.9Å; A497-I504 HydrophobicContact CB-CD1 3.62Å; A497-I504 HydrophobicContact CB-CG1 3.51Å
498	V	85.3	Confident	91.8	Very high	116 Å²	116	50.1 Å²	50.1	70%	0.703	24%	0.24	S	C	*	.	H	α-helix	trans	-58.9	-45	174.7	178.3	0	0	0	0	111	V494 Q495 D496 L500 N501	V494-V498 PolarHBondContact O-N 2.91Å; Q495-V498 PolarHBondContact O-N 3.27Å; D496-V498 VanDerWaalsContact C-N 3.31Å; D496-V498 PolarHBondContact O-N 2.86Å; V498-L500 VanDerWaalsContact C-N 3.29Å; V498-L500 PolarHBondContact O-N 2.82Å; V498-N501 PolarHBondContact O-N 2.77Å
499	R	85	Confident	91.8	Very high	190 Å²	190	44.7 Å²	44.7	72%	0.717	22%	0.216	S	C	*	.	H	α-helix	trans	-65.7	-30.9	178.2	-64.7	-165.9	-78.1	-171.2	-3.7	113.4	Q495 D496 A497 N501	Q495-R499 PolarHBondContact O-N 2.91Å; D496-R499 PolarHBondContact O-N 2.9Å; D496-R499 IonicContact OD1-CZ 2.8Å; D496-R499 VanDerWaalsContact OD1-CZ 3.24Å; D496-R499 IonicContact OD1-NE 3.71Å; D496-R499 PolarHBondContact OD1-NE 3.48Å; D496-R499 VanDerWaalsContact OD1-NE 3.13Å; D496-R499 IonicContact OD1-NH2 2.7Å; D496-R499 PolarHBondContact OD1-NH2 3.1Å; D496-R499 IonicContact OD2-NH2 3.49Å; A497-R499 VanDerWaalsContact C-N 3.34Å; A497-R499 PolarHBondContact O-N 3.05Å; R499-N501 VanDerWaalsContact C-N 3.31Å
500	L	87.6	Confident	91.7	Very high	78 Å²	78	44.4 Å²	44.4	41%	0.408	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	10.5	-178	-65.7	168.1	0	0	0	112.7	I460 V468 K469 D496 A497 V498 C502	I460-L500 HydrophobicContact CD1-CD1 4.22Å; V468-L500 HydrophobicContact CG1-CD1 4.11Å; K469-L500 HydrophobicContact CB-CD1 4.14Å; K469-L500 HydrophobicContact CD-CD1 4.09Å; D496-L500 HydrophobicContact CB-CD1 4.45Å; D496-L500 VanDerWaalsContact O-CB 3.32Å; D496-L500 WeakPolarHBondContact O-CB 3.41Å; D496-L500 WeakPolarHBondContact O-CD1 3.49Å; D496-L500 WeakPolarHBondContact O-CG 3.46Å; D496-L500 PolarHBondContact O-N 3.49Å; A497-L500 CarbonylContact O-C 3.51Å; A497-L500 PolarHBondContact O-N 2.86Å; A497-L500 VanDerWaalsContact O-N 3.16Å; V498-L500 VanDerWaalsContact C-N 3.29Å; V498-L500 PolarHBondContact O-N 2.82Å; L500-C502 PolarHBondContact O-N 3.13Å; L500-C502 PolarHBondContact O-SG 3.37Å; L500-C502 VanDerWaalsContact O-SG 3.37Å
501	N	84.4	Confident	91.5	Very high	75 Å²	75	44.4 Å²	44.4	40%	0.401	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	37.2	-177.5	-152.2	49.3	0	0	0	112.8	L441 E442 T443 A497 V498 R499	L441-N501 PolarHBondContact O-ND2 3.08Å; E442-N501 WeakPolarHBondContact CA-O 3.43Å; T443-N501 PolarHBondContact N-O 2.92Å; A497-N501 PolarHBondContact O-N 3.35Å; A497-N501 VanDerWaalsContact O-N 3.16Å; V498-N501 PolarHBondContact O-N 2.77Å; R499-N501 VanDerWaalsContact C-N 3.31Å
502	C	87.5	Confident	91.1	Very high	8 Å²	8	40 Å²	40	5%	0.054	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123	-179.3	-69.9	0	0	0	0	110	T443 I460 A497 L500	T443-C502 WeakPolarHBondContact O-CA 3.36Å; I460-C502 HydrophobicContact CG2-CB 4.08Å; A497-C502 CarbonylContact C-O 3.54Å; A497-C502 HydrophobicContact CB-CB 4.11Å; A497-C502 WeakPolarHBondContact CB-O 3.23Å; A497-C502 PolarHBondContact O-N 2.9Å; L500-C502 PolarHBondContact O-N 3.13Å; L500-C502 PolarHBondContact O-SG 3.37Å; L500-C502 VanDerWaalsContact O-SG 3.37Å
503	R	86.6	Confident	90.7	Very high	68 Å²	68	37.8 Å²	37.8	26%	0.257	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	115.3	176	-172.9	172.9	170.5	-167	-1.3	110.7	H439 E442 T443 S445 L505	H439-R503 PolarHBondContact CD2-NH1 2.84Å; H439-R503 PolarHBondContact CE1-NH1 2.96Å; H439-R503 PolarHBondContact NE2-NH1 3.46Å; E442-R503 HydrophobicContact CB-CB 4.34Å; E442-R503 WeakPolarHBondContact OE2-CB 3.35Å; T443-R503 PolarHBondContact O-N 2.97Å; S445-R503 CarbonylContact C-O 3.48Å; S445-R503 WeakPolarHBondContact CA-O 3.25Å; S445-R503 PolarHBondContact N-O 3.46Å; R503-L505 PolarHBondContact O-N 3.36Å
504	I	92.4	Very high	90.4	Very high	22 Å²	22	42.3 Å²	42.3	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117	177	-55.3	-57.5	0	0	0	110.1	S445 L447 I460 A497 G506 L547	S445-I504 CarbonylContact O-C 3.51Å; S445-I504 WeakPolarHBondContact O-CA 2.96Å; L447-I504 HydrophobicContact CB-CG2 3.86Å; I460-I504 HydrophobicContact CG1-CD1 4.45Å; I460-I504 HydrophobicContact CG2-CD1 3.88Å; A497-I504 HydrophobicContact CB-CD1 3.62Å; A497-I504 HydrophobicContact CB-CG1 3.51Å; I504-G506 WeakPolarHBondContact CG2-O 3.38Å; I504-L547 HydrophobicContact CB-CD1 4.36Å; I504-L547 HydrophobicContact CG2-CD1 3.65Å
505	L	91.3	Very high	90.5	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-17.9	178.6	-59.5	179.5	0	0	0	113.2	Q444 S445 R503 V750 L751 A754	Q444-L505 HydrophobicContact CB-CD1 4.28Å; S445-L505 PolarHBondContact O-N 2.62Å; R503-L505 PolarHBondContact O-N 3.36Å; L505-V750 HydrophobicContact CB-CG1 3.97Å; L505-L751 HydrophobicContact CD1-CD2 4.4Å; L505-A754 HydrophobicContact CB-CB 4.14Å; L505-A754 HydrophobicContact CD1-CB 3.95Å
506	G	94.8	Very high	90.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-174.9	-178.6	0	0	0	0	0	112.6	L447 I504	L447-G506 PolarHBondContact N-O 2.97Å; I504-G506 WeakPolarHBondContact CG2-O 3.38Å
507	V	97.3	Very high	90.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.2	-176.7	-168.7	0	0	0	0	111	L447 V449 I509 I541 L545 L547 P548 V549 W550	L447-V507 HydrophobicContact CB-CG1 4.43Å; L447-V507 HydrophobicContact CB-CG2 4.23Å; L447-V507 HydrophobicContact CD2-CG1 4.22Å; L447-V507 HydrophobicContact CD2-CG2 3.95Å; L447-V507 HydrophobicContact CG-CG1 4.43Å; L447-V507 CarbonylContact O-C 3.24Å; L447-V507 VanDerWaalsContact O-CA 3.27Å; L447-V507 WeakPolarHBondContact O-CA 3.36Å; V449-V507 HydrophobicContact CG2-CG1 3.95Å; V507-I509 HydrophobicContact CG1-CG1 4.11Å; V507-I541 HydrophobicContact CG1-CG2 4.4Å; V507-L545 HydrophobicContact CG2-CD1 3.86Å; V507-L547 HydrophobicContact CG2-CB 4.16Å; V507-L547 HydrophobicContact CG2-CD1 4.15Å; V507-P548 PolarHBondContact N-O 2.85Å; V507-V549 HydrophobicContact CB-CG1 4.41Å; V507-V549 HydrophobicContact CB-CG2 4.18Å; V507-V549 CarbonylContact O-C 3.56Å; V507-V549 VanDerWaalsContact O-CA 3.28Å; V507-V549 WeakPolarHBondContact O-CA 3.43Å; V507-W550 PolarHBondContact O-N 3.48Å
508	G	97.5	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.1	171.5	0	0	0	0	0	109.9	L447 A448 V449 W550 A746	L447-G508 PolarHBondContact O-N 2.97Å; A448-G508 CarbonylContact C-O 3.54Å; A448-G508 WeakPolarHBondContact CA-O 3.22Å; V449-G508 PolarHBondContact N-O 2.75Å; G508-W550 CarbonylContact C-O 3.53Å; G508-W550 WeakPolarHBondContact CA-O 3.47Å; G508-A746 WeakPolarHBondContact CA-O 3.39Å
509	I	97.6	Very high	90.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.5	-176.4	-50.8	-176.3	0	0	0	109.5	V449 L451 V507 L537 I541 V549 W550 V551 D552	V449-I509 HydrophobicContact CB-CB 4.39Å; V449-I509 HydrophobicContact CB-CG1 4.1Å; V449-I509 HydrophobicContact CB-CG2 4.19Å; V449-I509 HydrophobicContact CG1-CG2 4.31Å; V449-I509 HydrophobicContact CG2-CG1 4.26Å; V449-I509 CarbonylContact O-C 3.58Å; V449-I509 WeakPolarHBondContact O-CA 3.38Å; L451-I509 HydrophobicContact CD1-CG2 3.9Å; V507-I509 HydrophobicContact CG1-CG1 4.11Å; I509-L537 HydrophobicContact CD1-CB 4.39Å; I509-L537 HydrophobicContact CG2-CD1 4.23Å; I509-I541 HydrophobicContact CD1-CD1 3.32Å; I509-V549 HydrophobicContact CD1-CG1 3.57Å; I509-V549 HydrophobicContact CG1-CG1 4.03Å; I509-W550 PolarHBondContact N-O 3.38Å; I509-V551 HydrophobicContact CB-CB 4.45Å; I509-V551 HydrophobicContact CB-CG1 4.2Å; I509-V551 HydrophobicContact CB-CG2 4.23Å; I509-V551 HydrophobicContact CD1-CG2 4.25Å; I509-V551 HydrophobicContact CG2-CG1 4.31Å; I509-V551 WeakPolarHBondContact O-CA 3.18Å; I509-D552 PolarHBondContact O-N 3.05Å
510	S	95.4	Very high	91	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.3	164.7	163	0	0	0	0	108.4	V449 D450 L451 D554	V449-S510 PolarHBondContact O-N 2.8Å; D450-S510 WeakPolarHBondContact CA-O 3.3Å; D450-S510 PolarHBondContact OD1-OG 2.76Å; L451-S510 PolarHBondContact N-O 2.93Å; S510-D554 WeakPolarHBondContact OG-CA 3.32Å; S510-D554 WeakPolarHBondContact OG-CB 3.32Å
511	T	92.1	Very high	91.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.7	175.1	177.8	0	0	0	0	111.9	V515 V522 W532 L537 V551 D552 N553 D554	T511-V515 HydrophobicContact CG2-CG2 3.55Å; T511-V522 HydrophobicContact CG2-CG2 3.84Å; T511-W532 PolarHBondContact OG1-NE1 3.15Å; T511-L537 HydrophobicContact CG2-CD1 4.4Å; T511-V551 HydrophobicContact CG2-CG1 4.09Å; T511-D552 PolarHBondContact N-O 3.25Å; T511-D552 VanDerWaalsContact N-O 3.13Å; T511-N553 WeakPolarHBondContact O-CA 3.34Å; T511-D554 PolarHBondContact O-N 3.34Å; T511-D554 VanDerWaalsContact O-N 3.08Å
512	G	85.7	Confident	91.7	Very high	8 Å²	8	28.5 Å²	28.5	8%	0.082	14%	0.139	C	C	.	.	S	Bend	trans	-67.1	142.9	166.4	0	0	0	0	0	111.8	L451 S525	L451-G512 PolarHBondContact O-N 2.95Å; G512-S525 PolarHBondContact O-OG 3.05Å
513	G	85.6	Confident	91.9	Very high	16 Å²	16	31 Å²	31	17%	0.165	15%	0.151	C	C	.	.	S	Bend	trans	104.3	175.6	-178	0	0	0	0	0	113.2	H524 N553	G513-H524 CarbonylContact C-O 3.56Å; G513-H524 WeakPolarHBondContact CA-O 3.24Å; G513-N553 PolarHBondContact O-ND2 3.26Å
514	R	89.1	Confident	91.8	Very high	95 Å²	95	31.9 Å²	31.9	36%	0.358	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.3	-178.6	-61.5	-173.3	-68	-174.9	1.8	110.2	V522 L523 H524 C600	R514-V522 CarbonylContact O-C 3.57Å; R514-L523 HydrophobicContact CB-CB 4.44Å; R514-L523 PolarHBondContact O-N 2.75Å; R514-H524 PolarHBondContact N-O 3.32Å; R514-H524 PolarHBondContact O-N 2.97Å; R514-C600 WeakPolarHBondContact CD-SG 3.41Å; R514-C600 PolarHBondContact NH1-SG 3.07Å
515	V	92.9	Very high	91.3	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	-173.7	-179.6	0	0	0	0	109.7	T511 P517 I521 V522 V551 F599	T511-V515 HydrophobicContact CG2-CG2 3.55Å; V515-P517 WeakPolarHBondContact O-CD 3.24Å; V515-I521 CarbonylContact C-O 3.51Å; V515-I521 WeakPolarHBondContact CA-O 3.4Å; V515-V522 HydrophobicContact CG2-CG2 4.36Å; V515-V551 HydrophobicContact CG1-CB 4.14Å; V515-V551 HydrophobicContact CG1-CG1 3.8Å; V515-F599 WeakPolarHBondContact O-CB 3.25Å
516	N	93.1	Very high	90.5	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.059	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	100.6	160.7	-178.6	-5.8	0	0	0	108.5	Q518 E519 G520 I521 L523 F599	N516-Q518 PolarHBondContact O-N 2.6Å; N516-Q518 WeakPolarHBondContact OD1-CB 3.33Å; N516-Q518 PolarHBondContact OD1-N 3.13Å; N516-E519 WeakPolarHBondContact ND2-CG 3.47Å; N516-E519 PolarHBondContact ND2-OE2 3.42Å; N516-E519 PolarHBondContact O-N 3.47Å; N516-E519 PolarHBondContact OD1-N 3.38Å; N516-G520 WeakPolarHBondContact O-CA 3.34Å; N516-G520 PolarHBondContact O-N 3.18Å; N516-I521 PolarHBondContact N-O 3.31Å; N516-I521 PolarHBondContact O-N 3.38Å; N516-L523 HydrophobicContact CB-CD1 4.34Å; N516-L523 HydrophobicContact CB-CD2 4.23Å; N516-L523 HydrophobicContact CB-CG 4.27Å; N516-F599 HydrophobicContact CB-CD2 4Å; N516-F599 HydrophobicContact CB-CE2 3.85Å; N516-F599 HydrophobicContact CB-CZ 4.3Å; N516-F599 VanDerWaalsContact CG-CE2 3.47Å; N516-F599 VanDerWaalsContact OD1-CZ 3.22Å; N516-F599 WeakPolarHBondContact OD1-CZ 3.17Å
517	P	90.9	Very high	89.4	Confident	29 Å²	29	41.9 Å²	41.9	19%	0.188	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.7	-178.3	29.9	-37.4	0	0	0	112.6	V515 R538 V551 F599	V515-P517 WeakPolarHBondContact O-CD 3.24Å; P517-R538 PolarHBondContact O-NH2 2.82Å; P517-V551 WeakPolarHBondContact CA-O 3.45Å; P517-V551 WeakPolarHBondContact CB-O 3.3Å; P517-F599 HydrophobicContact CG-CD1 4.38Å; P517-F599 HydrophobicContact CG-CE1 4.41Å
518	Q	89.3	Confident	88.1	Confident	152 Å²	152	45.7 Å²	45.7	71%	0.71	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.2	179.3	-61.5	-176.7	-9.1	0	0	111.3	N516 R538	N516-Q518 PolarHBondContact O-N 2.6Å; N516-Q518 WeakPolarHBondContact OD1-CB 3.33Å; N516-Q518 PolarHBondContact OD1-N 3.13Å; Q518-R538 PolarHBondContact O-NH1 2.78Å; Q518-R538 PolarHBondContact O-NH2 2.88Å
519	E	88.7	Confident	87.3	Confident	109 Å²	109	46 Å²	46	51%	0.509	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-20.3	179.4	-65.6	173.7	166.4	0	0	112.5	N516 I521 R538	N516-E519 WeakPolarHBondContact ND2-CG 3.47Å; N516-E519 PolarHBondContact ND2-OE2 3.42Å; N516-E519 PolarHBondContact O-N 3.47Å; N516-E519 PolarHBondContact OD1-N 3.38Å; E519-I521 HydrophobicContact CB-CB 4.44Å; E519-I521 HydrophobicContact CB-CD1 3.79Å; E519-I521 HydrophobicContact CB-CG1 3.86Å; E519-R538 PolarHBondContact O-NH1 2.8Å
520	G	92.3	Very high	86.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	29.2	-174.7	0	0	0	0	0	113.1	N516 L537 R538	N516-G520 WeakPolarHBondContact O-CA 3.34Å; N516-G520 PolarHBondContact O-N 3.18Å; G520-L537 PolarHBondContact O-N 2.79Å; G520-L537 VanDerWaalsContact O-N 3.14Å; G520-R538 PolarHBondContact O-N 2.85Å
521	I	93.9	Very high	86.1	Confident	42 Å²	42	56.8 Å²	56.8	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.4	-173.2	-61.1	177.5	0	0	0	110.3	V515 N516 E519 L523 V535 D536	V515-I521 CarbonylContact C-O 3.51Å; V515-I521 WeakPolarHBondContact CA-O 3.4Å; N516-I521 PolarHBondContact N-O 3.31Å; N516-I521 PolarHBondContact O-N 3.38Å; E519-I521 HydrophobicContact CB-CB 4.44Å; E519-I521 HydrophobicContact CB-CD1 3.79Å; E519-I521 HydrophobicContact CB-CG1 3.86Å; I521-L523 HydrophobicContact CG2-CD2 4.4Å; I521-L523 PolarHBondContact O-N 2.6Å; I521-V535 CarbonylContact C-O 3.59Å; I521-V535 WeakPolarHBondContact CA-O 3.45Å; I521-D536 HydrophobicContact CG1-CB 4.25Å
522	V	92.9	Very high	86	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.1	166.7	-175.9	0	0	0	0	108.6	T511 R514 V515 W532 S534 V535 L537	T511-V522 HydrophobicContact CG2-CG2 3.84Å; R514-V522 CarbonylContact O-C 3.57Å; V515-V522 HydrophobicContact CG2-CG2 4.36Å; V522-W532 HydrophobicContact CG1-CG 4.34Å; V522-W532 HydrophobicContact CG2-CZ2 4.45Å; V522-S534 CarbonylContact O-C 3.6Å; V522-S534 VanDerWaalsContact O-CA 3.22Å; V522-S534 WeakPolarHBondContact O-CA 3.35Å; V522-S534 PolarHBondContact O-N 3.45Å; V522-V535 HydrophobicContact CB-CB 4.31Å; V522-V535 PolarHBondContact N-O 2.94Å; V522-V535 PolarHBondContact O-N 3.13Å; V522-L537 HydrophobicContact CG2-CD1 3.61Å; V522-L537 HydrophobicContact CG2-CG 4.17Å
523	L	90.1	Very high	86.1	Confident	59 Å²	59	59.2 Å²	59.2	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-49.8	-178.3	-61.6	177.4	0	0	0	111.1	R514 N516 I521 S534 F599	R514-L523 HydrophobicContact CB-CB 4.44Å; R514-L523 PolarHBondContact O-N 2.75Å; N516-L523 HydrophobicContact CB-CD1 4.34Å; N516-L523 HydrophobicContact CB-CD2 4.23Å; N516-L523 HydrophobicContact CB-CG 4.27Å; I521-L523 HydrophobicContact CG2-CD2 4.4Å; I521-L523 PolarHBondContact O-N 2.6Å; L523-S534 PolarHBondContact O-N 3.01Å; L523-F599 HydrophobicContact CD1-CB 4.48Å; L523-F599 HydrophobicContact CD1-CD2 3.87Å
524	H	85.8	Confident	86.4	Confident	87 Å²	87	63.3 Å²	63.3	40%	0.403	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	139.7	-178.1	-175.3	62.8	0	0	0	111.8	G513 R514 S533	G513-H524 CarbonylContact C-O 3.56Å; G513-H524 WeakPolarHBondContact CA-O 3.24Å; R514-H524 PolarHBondContact N-O 3.32Å; R514-H524 PolarHBondContact O-N 2.97Å; H524-S533 PolarHBondContact ND1-OG 2.81Å
525	S	81.6	Confident	86.6	Confident	10 Å²	10	59.2 Å²	59.2	7%	0.07	31%	0.305	C	S	.	.			trans	-121.9	153.9	171.6	-159.1	0	0	0	0	111.4	G512 W532	G512-S525 PolarHBondContact O-OG 3.05Å; S525-W532 VanDerWaalsContact CB-O 3.27Å; S525-W532 WeakPolarHBondContact CB-O 3.32Å; S525-W532 PolarHBondContact N-O 3.4Å
526	T	73.7	Confident	86.6	Confident	58 Å²	58	61.7 Å²	61.7	36%	0.356	32%	0.318	S	S	.	.			trans	-70.4	174.7	173.2	68.1	0	0	0	0	110.3	L528 I529	T526-L528 PolarHBondContact O-N 2.87Å; T526-L528 WeakPolarHBondContact OG1-CB 3.46Å; T526-L528 PolarHBondContact OG1-N 3.45Å; T526-I529 PolarHBondContact O-N 3.31Å; T526-I529 VanDerWaalsContact O-N 3.1Å
527	K	71.2	Confident	86.7	Confident	199 Å²	199	61.2 Å²	61.2	87%	0.865	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-8.2	176.7	-66.9	-177	179.2	177.6	0	114.4	I529	K527-I529 VanDerWaalsContact C-N 3.27Å; K527-I529 PolarHBondContact O-N 2.83Å
528	L	71.1	Confident	86.8	Confident	80 Å²	80	62.9 Å²	62.9	42%	0.419	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35	173.5	-171.6	66.6	0	0	0	112	T526 T581	T526-L528 PolarHBondContact O-N 2.87Å; T526-L528 WeakPolarHBondContact OG1-CB 3.46Å; T526-L528 PolarHBondContact OG1-N 3.45Å; L528-T581 HydrophobicContact CD1-CG2 4.42Å
529	I	79.8	Confident	87	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	30%	0.303	C	S	.	.	S	Bend	trans	-124.9	104	175.5	-50.2	-177.9	0	0	0	108.5	T526 K527 W532	T526-I529 PolarHBondContact O-N 3.31Å; T526-I529 VanDerWaalsContact O-N 3.1Å; K527-I529 VanDerWaalsContact C-N 3.27Å; K527-I529 PolarHBondContact O-N 2.83Å; I529-W532 HydrophobicContact CB-CB 4.02Å; I529-W532 HydrophobicContact CB-CG 4.18Å; I529-W532 HydrophobicContact CG2-CB 3.61Å; I529-W532 HydrophobicContact CG2-CD2 4.04Å; I529-W532 HydrophobicContact CG2-CG 3.55Å; I529-W532 WeakPolarHBondContact O-CB 3.18Å
530	Q	80.6	Confident	87.2	Confident	108 Å²	108	55.7 Å²	55.7	51%	0.505	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	148.7	-179.3	-66.5	177.6	1.2	0	0	111.1	K477 R482 W532	K477-Q530 WeakPolarHBondContact O-CB 3.27Å; R482-Q530 PolarHBondContact NH1-O 3.16Å; R482-Q530 PolarHBondContact NH2-O 3.31Å; Q530-W532 VanDerWaalsContact C-N 3.3Å; Q530-W532 PolarHBondContact O-N 3.31Å
531	E	87.7	Confident	87.2	Confident	120 Å²	120	55.7 Å²	55.7	56%	0.561	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	41.4	178.9	-58.3	177.4	-179.6	0	0	113.4	T478 F479	T478-E531 WeakPolarHBondContact CA-OE2 3.38Å; F479-E531 HydrophobicContact CB-CB 3.88Å; F479-E531 PolarHBondContact N-OE2 2.99Å
532	W	89.3	Confident	87.1	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.011	29%	0.294	C	S	.	.			trans	-126.9	57.1	-171.7	-150.7	-122.4	0	0	0	112.5	L451 F479 R482 M483 I486 T511 V522 S525 I529 Q530 V535 L537	L451-W532 HydrophobicContact CD1-CH2 4.28Å; L451-W532 HydrophobicContact CD1-CZ2 3.75Å; F479-W532 HydrophobicContact CD2-CE3 4.25Å; F479-W532 AromaticContact CD2-CZ3 3.98Å; F479-W532 HydrophobicContact CD2-CZ3 3.98Å; F479-W532 HydrophobicContact CE2-CZ3 4.35Å; R482-W532 VanDerWaalsContact CD-CZ3 3.47Å; R482-W532 HydrophobicContact CG-CH2 4.29Å; R482-W532 HydrophobicContact CG-CZ3 4.31Å; R482-W532 VanDerWaalsContact NH1-CD2 3.35Å; M483-W532 HydrophobicContact SD-CH2 4.23Å; M483-W532 HydrophobicContact SD-CZ3 4.43Å; I486-W532 HydrophobicContact CD1-CH2 4.26Å; T511-W532 PolarHBondContact OG1-NE1 3.15Å; V522-W532 HydrophobicContact CG1-CG 4.34Å; V522-W532 HydrophobicContact CG2-CZ2 4.45Å; S525-W532 VanDerWaalsContact CB-O 3.27Å; S525-W532 WeakPolarHBondContact CB-O 3.32Å; S525-W532 PolarHBondContact N-O 3.4Å; I529-W532 HydrophobicContact CB-CB 4.02Å; I529-W532 HydrophobicContact CB-CG 4.18Å; I529-W532 HydrophobicContact CG2-CB 3.61Å; I529-W532 HydrophobicContact CG2-CD2 4.04Å; I529-W532 HydrophobicContact CG2-CG 3.55Å; I529-W532 WeakPolarHBondContact O-CB 3.18Å; Q530-W532 VanDerWaalsContact C-N 3.3Å; Q530-W532 PolarHBondContact O-N 3.31Å; W532-V535 HydrophobicContact CD2-CG2 4.48Å; W532-V535 HydrophobicContact CE3-CB 4.37Å; W532-V535 HydrophobicContact CE3-CG1 4.16Å; W532-V535 HydrophobicContact CE3-CG2 3.97Å; W532-V535 HydrophobicContact CH2-CG1 4.2Å; W532-V535 HydrophobicContact CZ3-CG1 3.91Å; W532-V535 HydrophobicContact CZ3-CG2 4.47Å; W532-L537 HydrophobicContact CH2-CD1 4.42Å; W532-L537 HydrophobicContact CH2-CD2 3.52Å; W532-L537 HydrophobicContact CH2-CG 4.49Å; W532-L537 HydrophobicContact CZ2-CD1 3.83Å; W532-L537 HydrophobicContact CZ2-CD2 3.79Å; W532-L537 HydrophobicContact CZ2-CG 4.32Å; W532-L537 HydrophobicContact CZ3-CD2 4.42Å
533	S	89.1	Confident	87	Confident	56 Å²	56	61.4 Å²	61.4	39%	0.392	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.9	176.4	-63.5	0	0	0	0	109.7	H524 V535	H524-S533 PolarHBondContact ND1-OG 2.81Å; S533-V535 VanDerWaalsContact C-N 3.29Å; S533-V535 PolarHBondContact O-N 2.96Å
534	S	91.3	Very high	87.1	Confident	102 Å²	102	60.4 Å²	60.4	71%	0.713	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	42.3	-172.8	-57.9	0	0	0	0	113.7	V522 L523	V522-S534 CarbonylContact O-C 3.6Å; V522-S534 VanDerWaalsContact O-CA 3.22Å; V522-S534 WeakPolarHBondContact O-CA 3.35Å; V522-S534 PolarHBondContact O-N 3.45Å; L523-S534 PolarHBondContact O-N 3.01Å
535	V	92.9	Very high	87.2	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119	-177.7	170.6	0	0	0	0	110.6	F479 I521 V522 W532 S533 L537	F479-V535 HydrophobicContact CD2-CG1 4.25Å; F479-V535 HydrophobicContact CD2-CG2 3.96Å; F479-V535 HydrophobicContact CE2-CB 4.39Å; F479-V535 HydrophobicContact CE2-CG1 3.59Å; F479-V535 HydrophobicContact CE2-CG2 3.93Å; I521-V535 CarbonylContact C-O 3.59Å; I521-V535 WeakPolarHBondContact CA-O 3.45Å; V522-V535 HydrophobicContact CB-CB 4.31Å; V522-V535 PolarHBondContact N-O 2.94Å; V522-V535 PolarHBondContact O-N 3.13Å; W532-V535 HydrophobicContact CD2-CG2 4.48Å; W532-V535 HydrophobicContact CE3-CB 4.37Å; W532-V535 HydrophobicContact CE3-CG1 4.16Å; W532-V535 HydrophobicContact CE3-CG2 3.97Å; W532-V535 HydrophobicContact CH2-CG1 4.2Å; W532-V535 HydrophobicContact CZ3-CG1 3.91Å; W532-V535 HydrophobicContact CZ3-CG2 4.47Å; S533-V535 VanDerWaalsContact C-N 3.29Å; S533-V535 PolarHBondContact O-N 2.96Å; V535-L537 HydrophobicContact CG1-CD2 3.74Å; V535-L537 HydrophobicContact CG1-CG 4.14Å
536	D	94.3	Very high	87.5	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.7	169.1	179.7	6.2	0	0	0	110.7	I521 R538 T539 P540	I521-D536 HydrophobicContact CG1-CB 4.25Å; D536-R538 PolarHBondContact OD1-N 3.45Å; D536-T539 PolarHBondContact OD1-N 2.79Å; D536-T539 VanDerWaalsContact OD1-N 3.16Å; D536-T539 WeakPolarHBondContact OD2-CB 3.42Å; D536-T539 PolarHBondContact OD2-OG1 2.92Å; D536-P540 WeakPolarHBondContact O-CG 3.42Å
537	L	93.9	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.338	C	S	.	.			trans	-99.3	-28.1	176.3	-65.4	179.1	0	0	0	112.5	L451 M483 I509 T511 G520 V522 W532 V535 I541 V551	L451-L537 HydrophobicContact CD1-CD1 4.36Å; M483-L537 HydrophobicContact CE-CD2 4.13Å; M483-L537 HydrophobicContact SD-CD2 3.52Å; M483-L537 VanDerWaalsContact SD-CD2 3.52Å; I509-L537 HydrophobicContact CD1-CB 4.39Å; I509-L537 HydrophobicContact CG2-CD1 4.23Å; T511-L537 HydrophobicContact CG2-CD1 4.4Å; G520-L537 PolarHBondContact O-N 2.79Å; G520-L537 VanDerWaalsContact O-N 3.14Å; V522-L537 HydrophobicContact CG2-CD1 3.61Å; V522-L537 HydrophobicContact CG2-CG 4.17Å; W532-L537 HydrophobicContact CH2-CD1 4.42Å; W532-L537 HydrophobicContact CH2-CD2 3.52Å; W532-L537 HydrophobicContact CH2-CG 4.49Å; W532-L537 HydrophobicContact CZ2-CD1 3.83Å; W532-L537 HydrophobicContact CZ2-CD2 3.79Å; W532-L537 HydrophobicContact CZ2-CG 4.32Å; W532-L537 HydrophobicContact CZ3-CD2 4.42Å; V535-L537 HydrophobicContact CG1-CD2 3.74Å; V535-L537 HydrophobicContact CG1-CG 4.14Å; L537-I541 HydrophobicContact CB-CD1 4.43Å; L537-I541 WeakPolarHBondContact O-CB 3.37Å; L537-I541 VanDerWaalsContact O-CD1 3.26Å; L537-I541 WeakPolarHBondContact O-CD1 3.43Å; L537-I541 VanDerWaalsContact O-CG1 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.43Å; L537-V551 HydrophobicContact CB-CG2 4.08Å; L537-V551 HydrophobicContact CD1-CG1 3.85Å
538	R	93.8	Very high	89.3	Confident	65 Å²	65	52.7 Å²	52.7	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-69.4	-56.2	-173	170.8	-179.5	-65.9	157.5	8.9	110.9	P517 Q518 E519 G520 D536 I541 S542 V549	P517-R538 PolarHBondContact O-NH2 2.82Å; Q518-R538 PolarHBondContact O-NH1 2.78Å; Q518-R538 PolarHBondContact O-NH2 2.88Å; E519-R538 PolarHBondContact O-NH1 2.8Å; G520-R538 PolarHBondContact O-N 2.85Å; D536-R538 PolarHBondContact OD1-N 3.45Å; R538-I541 PolarHBondContact O-N 2.76Å; R538-S542 WeakPolarHBondContact O-CB 3.48Å; R538-S542 PolarHBondContact O-N 3.06Å; R538-V549 HydrophobicContact CB-CB 4.47Å; R538-V549 HydrophobicContact CG-CB 4.17Å; R538-V549 PolarHBondContact NE-O 2.93Å
539	T	92.1	Very high	90.4	Very high	65 Å²	65	49.1 Å²	49.1	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-55.8	-172.4	-49.8	0	0	0	0	112.2	D536 I541 S542 D543	D536-T539 PolarHBondContact OD1-N 2.79Å; D536-T539 VanDerWaalsContact OD1-N 3.16Å; D536-T539 WeakPolarHBondContact OD2-CB 3.42Å; D536-T539 PolarHBondContact OD2-OG1 2.92Å; T539-I541 VanDerWaalsContact C-N 3.31Å; T539-I541 PolarHBondContact O-N 3.17Å; T539-S542 PolarHBondContact O-N 2.84Å; T539-D543 WeakPolarHBondContact O-CB 3.39Å; T539-D543 PolarHBondContact O-N 2.83Å
540	P	93.1	Very high	91.2	Very high	45 Å²	45	51.3 Å²	51.3	29%	0.292	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-33.5	-176.1	24.7	-35	0	0	0	113.6	M483 D536 A544	M483-P540 HydrophobicContact CE-CB 4.13Å; M483-P540 HydrophobicContact CE-CG 3.59Å; D536-P540 WeakPolarHBondContact O-CG 3.42Å; P540-A544 WeakPolarHBondContact O-CB 3.24Å; P540-A544 PolarHBondContact O-N 2.88Å
541	I	93.4	Very high	91.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-78.4	-39.5	-179.5	-62	173.4	0	0	0	110.5	M483 I486 L487 V507 I509 L537 R538 T539 A544 L545 V549	M483-I541 HydrophobicContact CE-CG1 4.4Å; I486-I541 HydrophobicContact CG2-CD1 3.6Å; I486-I541 HydrophobicContact CG2-CG1 4.26Å; L487-I541 HydrophobicContact CD2-CB 4.41Å; L487-I541 HydrophobicContact CD2-CG1 3.96Å; V507-I541 HydrophobicContact CG1-CG2 4.4Å; I509-I541 HydrophobicContact CD1-CD1 3.32Å; L537-I541 HydrophobicContact CB-CD1 4.43Å; L537-I541 WeakPolarHBondContact O-CB 3.37Å; L537-I541 VanDerWaalsContact O-CD1 3.26Å; L537-I541 WeakPolarHBondContact O-CD1 3.43Å; L537-I541 VanDerWaalsContact O-CG1 3.23Å; L537-I541 WeakPolarHBondContact O-CG1 3.43Å; R538-I541 PolarHBondContact O-N 2.76Å; T539-I541 VanDerWaalsContact C-N 3.31Å; T539-I541 PolarHBondContact O-N 3.17Å; I541-A544 PolarHBondContact O-N 2.78Å; I541-L545 HydrophobicContact CG2-CD1 3.7Å; I541-L545 WeakPolarHBondContact O-CB 3.32Å; I541-L545 WeakPolarHBondContact O-CG 3.49Å; I541-L545 PolarHBondContact O-N 3.02Å; I541-L545 VanDerWaalsContact O-N 3.13Å; I541-V549 HydrophobicContact CB-CG2 4.15Å; I541-V549 HydrophobicContact CG2-CG1 4.47Å; I541-V549 HydrophobicContact CG2-CG2 3.87Å
542	S	91.9	Very high	92.3	Very high	36 Å²	36	40.8 Å²	40.8	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-49.1	175	-176.1	0	0	0	0	110.9	R538 T539 A544 L545 G546 L547	R538-S542 WeakPolarHBondContact O-CB 3.48Å; R538-S542 PolarHBondContact O-N 3.06Å; T539-S542 PolarHBondContact O-N 2.84Å; S542-A544 VanDerWaalsContact C-N 3.32Å; S542-A544 PolarHBondContact O-N 3.39Å; S542-L545 PolarHBondContact O-N 3.42Å; S542-G546 WeakPolarHBondContact O-CA 3.47Å; S542-G546 PolarHBondContact O-N 3.37Å; S542-L547 WeakPolarHBondContact CA-O 3.36Å; S542-L547 PolarHBondContact OG-O 3.34Å
543	D	91.3	Very high	92.5	Very high	126 Å²	126	41.4 Å²	41.4	67%	0.674	26%	0.258	S	S	*	.	H	α-helix	trans	-62.7	-39.1	179.9	-68.9	-11.8	0	0	0	111.9	T539	T539-D543 WeakPolarHBondContact O-CB 3.39Å; T539-D543 PolarHBondContact O-N 2.83Å
544	A	90.4	Very high	92.6	Very high	38 Å²	38	41.1 Å²	41.1	31%	0.314	25%	0.252	S	S	.	.	H	α-helix	trans	-75.1	-24.9	-178.1	0	0	0	0	0	114.3	L487 P540 I541 S542	L487-A544 HydrophobicContact CD2-CB 3.55Å; P540-A544 WeakPolarHBondContact O-CB 3.24Å; P540-A544 PolarHBondContact O-N 2.88Å; I541-A544 PolarHBondContact O-N 2.78Å; S542-A544 VanDerWaalsContact C-N 3.32Å; S542-A544 PolarHBondContact O-N 3.39Å
545	L	88.2	Confident	92.6	Very high	34 Å²	34	36.2 Å²	36.2	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-114.3	-15.8	-173.8	-60	175.4	0	0	0	113.6	L447 C490 K491 V494 V507 I541 S542 L547	L447-L545 HydrophobicContact CD2-CD1 4.45Å; C490-L545 HydrophobicContact CB-CD1 3.69Å; C490-L545 HydrophobicContact CB-CD2 4.32Å; K491-L545 HydrophobicContact CG-CD2 3.72Å; V494-L545 HydrophobicContact CG2-CD2 4.5Å; V507-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 HydrophobicContact CG2-CD1 3.7Å; I541-L545 WeakPolarHBondContact O-CB 3.32Å; I541-L545 WeakPolarHBondContact O-CG 3.49Å; I541-L545 PolarHBondContact O-N 3.02Å; I541-L545 VanDerWaalsContact O-N 3.13Å; S542-L545 PolarHBondContact O-N 3.42Å; L545-L547 HydrophobicContact CB-CB 4.27Å; L545-L547 HydrophobicContact CB-CD1 4.33Å; L545-L547 HydrophobicContact CB-CG 4.37Å; L545-L547 PolarHBondContact O-N 3.43Å
546	G	88.1	Confident	92.7	Very high	69 Å²	69	36.2 Å²	36.2	71%	0.711	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	24.5	-173	0	0	0	0	0	113.5	S542	S542-G546 WeakPolarHBondContact O-CA 3.47Å; S542-G546 PolarHBondContact O-N 3.37Å
547	L	90.4	Very high	92.8	Very high	33 Å²	33	33.5 Å²	33.5	17%	0.173	20%	0.203	C	C	.	.	S	Bend	trans	-121.9	145.1	-174	-72.1	176	0	0	0	111.2	V494 I504 V507 S542 L545 V549	V494-L547 HydrophobicContact CG2-CD1 4.32Å; I504-L547 HydrophobicContact CB-CD1 4.36Å; I504-L547 HydrophobicContact CG2-CD1 3.65Å; V507-L547 HydrophobicContact CG2-CB 4.16Å; V507-L547 HydrophobicContact CG2-CD1 4.15Å; S542-L547 WeakPolarHBondContact CA-O 3.36Å; S542-L547 PolarHBondContact OG-O 3.34Å; L545-L547 HydrophobicContact CB-CB 4.27Å; L545-L547 HydrophobicContact CB-CD1 4.33Å; L545-L547 HydrophobicContact CB-CG 4.37Å; L545-L547 PolarHBondContact O-N 3.43Å; L547-V549 WeakPolarHBondContact O-CG2 3.25Å
548	P	92.1	Very high	92.8	Very high	55 Å²	55	33.5 Å²	33.5	36%	0.357	20%	0.203	S	C	.	.			trans	-64.7	141.3	174.3	27.6	-33.9	0	0	0	111.1	V507 W550	V507-P548 PolarHBondContact N-O 2.85Å; P548-W550 HydrophobicContact CB-CH2 3.62Å; P548-W550 HydrophobicContact CB-CZ2 4.25Å; P548-W550 HydrophobicContact CB-CZ3 3.84Å; P548-W550 HydrophobicContact CG-CH2 3.59Å; P548-W550 HydrophobicContact CG-CZ3 3.8Å; P548-W550 WeakPolarHBondContact O-CZ3 3.49Å
549	V	94.9	Very high	92.9	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.2	-175.3	-172.7	0	0	0	0	112	V507 I509 R538 I541 L547 V551	V507-V549 HydrophobicContact CB-CG1 4.41Å; V507-V549 HydrophobicContact CB-CG2 4.18Å; V507-V549 CarbonylContact O-C 3.56Å; V507-V549 VanDerWaalsContact O-CA 3.28Å; V507-V549 WeakPolarHBondContact O-CA 3.43Å; I509-V549 HydrophobicContact CD1-CG1 3.57Å; I509-V549 HydrophobicContact CG1-CG1 4.03Å; R538-V549 HydrophobicContact CB-CB 4.47Å; R538-V549 HydrophobicContact CG-CB 4.17Å; R538-V549 PolarHBondContact NE-O 2.93Å; I541-V549 HydrophobicContact CB-CG2 4.15Å; I541-V549 HydrophobicContact CG2-CG1 4.47Å; I541-V549 HydrophobicContact CG2-CG2 3.87Å; L547-V549 WeakPolarHBondContact O-CG2 3.25Å; V549-V551 HydrophobicContact CG1-CG2 4.16Å
550	W	96.3	Very high	93.1	Very high	51 Å²	51	27.9 Å²	27.9	19%	0.193	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.4	172	-62	-96.2	0	0	0	110.1	V507 G508 I509 P548 M749 V750	V507-W550 PolarHBondContact O-N 3.48Å; G508-W550 CarbonylContact C-O 3.53Å; G508-W550 WeakPolarHBondContact CA-O 3.47Å; I509-W550 PolarHBondContact N-O 3.38Å; P548-W550 HydrophobicContact CB-CH2 3.62Å; P548-W550 HydrophobicContact CB-CZ2 4.25Å; P548-W550 HydrophobicContact CB-CZ3 3.84Å; P548-W550 HydrophobicContact CG-CH2 3.59Å; P548-W550 HydrophobicContact CG-CZ3 3.8Å; P548-W550 WeakPolarHBondContact O-CZ3 3.49Å; W550-M749 HydrophobicContact CB-CB 4.02Å; W550-M749 HydrophobicContact CB-CE 4.27Å; W550-M749 HydrophobicContact CB-SD 4.05Å; W550-M749 HydrophobicContact CG-CB 4.35Å; W550-V750 HydrophobicContact CE3-CB 4.32Å; W550-V750 HydrophobicContact CE3-CG2 3.73Å; W550-V750 HydrophobicContact CZ3-CB 4.13Å; W550-V750 HydrophobicContact CZ3-CG1 3.98Å; W550-V750 HydrophobicContact CZ3-CG2 3.89Å
551	V	95.9	Very high	93.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.2	-177	-168	0	0	0	0	107.9	I509 T511 V515 P517 L537 V549	I509-V551 HydrophobicContact CB-CB 4.45Å; I509-V551 HydrophobicContact CB-CG1 4.2Å; I509-V551 HydrophobicContact CB-CG2 4.23Å; I509-V551 HydrophobicContact CD1-CG2 4.25Å; I509-V551 HydrophobicContact CG2-CG1 4.31Å; I509-V551 WeakPolarHBondContact O-CA 3.18Å; T511-V551 HydrophobicContact CG2-CG1 4.09Å; V515-V551 HydrophobicContact CG1-CB 4.14Å; V515-V551 HydrophobicContact CG1-CG1 3.8Å; P517-V551 WeakPolarHBondContact CA-O 3.45Å; P517-V551 WeakPolarHBondContact CB-O 3.3Å; L537-V551 HydrophobicContact CB-CG2 4.08Å; L537-V551 HydrophobicContact CD1-CG1 3.85Å; V549-V551 HydrophobicContact CG1-CG2 4.16Å
552	D	95.4	Very high	93.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	170	172.7	-147.2	-36.3	0	0	0	110.5	I509 T511 N556 H595 M749	I509-D552 PolarHBondContact O-N 3.05Å; T511-D552 PolarHBondContact N-O 3.25Å; T511-D552 VanDerWaalsContact N-O 3.13Å; D552-N556 WeakPolarHBondContact OD1-CB 2.99Å; D552-N556 PolarHBondContact OD1-ND2 2.59Å; D552-H595 IonicContact OD1-CD2 3.89Å; D552-H595 IonicContact OD1-NE2 3.08Å; D552-H595 IonicContact OD2-CD2 3.6Å; D552-H595 IonicContact OD2-CE1 2.64Å; D552-H595 IonicContact OD2-NE2 3.64Å; D552-H595 PolarHBondContact OD2-NE2 3.08Å; D552-M749 HydrophobicContact CB-CE 4.09Å; D552-M749 HydrophobicContact CB-SD 3.78Å
553	N	93.2	Very high	93.6	Very high	16 Å²	16	25.4 Å²	25.4	9%	0.086	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	148.4	174.2	170.7	-96.9	0	0	0	111.2	T511 G513 G555 N556 C557	T511-N553 WeakPolarHBondContact O-CA 3.34Å; G513-N553 PolarHBondContact O-ND2 3.26Å; N553-G555 PolarHBondContact O-N 3.09Å; N553-G555 VanDerWaalsContact OD1-CA 3.24Å; N553-G555 WeakPolarHBondContact OD1-CA 3.49Å; N553-G555 PolarHBondContact OD1-N 3.31Å; N553-N556 HydrophobicContact CB-CB 4.21Å; N553-N556 WeakPolarHBondContact O-CB 3.09Å; N553-N556 PolarHBondContact O-N 3.49Å; N553-N556 PolarHBondContact OD1-N 2.64Å; N553-C557 WeakPolarHBondContact O-CB 3.44Å; N553-C557 PolarHBondContact O-N 2.84Å; N553-C557 PolarHBondContact O-SG 2.65Å
554	D	91.1	Very high	93.7	Very high	50 Å²	50	22.1 Å²	22.1	27%	0.267	13%	0.134	S	C	.	.	H	α-helix	trans	-60.2	-41	179	60.4	-19.9	0	0	0	114.1	S510 T511 C557 A558	S510-D554 WeakPolarHBondContact OG-CA 3.32Å; S510-D554 WeakPolarHBondContact OG-CB 3.32Å; T511-D554 PolarHBondContact O-N 3.34Å; T511-D554 VanDerWaalsContact O-N 3.08Å; D554-C557 PolarHBondContact O-N 3.47Å; D554-A558 PolarHBondContact O-N 3.16Å
555	G	92	Very high	93.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-54.8	-52.6	170.1	0	0	0	0	0	113	N553 A558 A559 G585	N553-G555 PolarHBondContact O-N 3.09Å; N553-G555 VanDerWaalsContact OD1-CA 3.24Å; N553-G555 WeakPolarHBondContact OD1-CA 3.49Å; N553-G555 PolarHBondContact OD1-N 3.31Å; G555-A558 PolarHBondContact O-N 3.01Å; G555-A559 PolarHBondContact O-N 2.84Å; G555-G585 CarbonylContact C-O 3.23Å; G555-G585 VanDerWaalsContact C-O 3.27Å; G555-G585 VanDerWaalsContact CA-O 3.32Å; G555-G585 WeakPolarHBondContact CA-O 3.44Å
556	N	95.1	Very high	94.1	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.048	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-45.7	176.6	-77	-12.6	0	0	0	112.1	D552 N553 A558 A559 L560 L593	D552-N556 WeakPolarHBondContact OD1-CB 2.99Å; D552-N556 PolarHBondContact OD1-ND2 2.59Å; N553-N556 HydrophobicContact CB-CB 4.21Å; N553-N556 WeakPolarHBondContact O-CB 3.09Å; N553-N556 PolarHBondContact O-N 3.49Å; N553-N556 PolarHBondContact OD1-N 2.64Å; N556-A558 VanDerWaalsContact C-N 3.33Å; N556-A558 PolarHBondContact O-N 2.78Å; N556-A559 WeakPolarHBondContact O-CB 3.45Å; N556-A559 PolarHBondContact O-N 2.77Å; N556-A559 VanDerWaalsContact O-N 3.13Å; N556-L560 WeakPolarHBondContact O-CG 3.46Å; N556-L560 PolarHBondContact O-N 3.32Å; N556-L593 HydrophobicContact CB-CD1 4.17Å; N556-L593 HydrophobicContact CB-CD2 3.57Å; N556-L593 HydrophobicContact CB-CG 4.42Å
557	C	95.4	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-45.6	177.1	-72.6	0	0	0	0	111.1	N553 D554 A559 L560 A561 G745	N553-C557 WeakPolarHBondContact O-CB 3.44Å; N553-C557 PolarHBondContact O-N 2.84Å; N553-C557 PolarHBondContact O-SG 2.65Å; D554-C557 PolarHBondContact O-N 3.47Å; C557-A559 VanDerWaalsContact C-N 3.3Å; C557-A559 PolarHBondContact O-N 3.2Å; C557-L560 WeakPolarHBondContact O-CB 3.42Å; C557-L560 PolarHBondContact O-N 2.96Å; C557-L560 VanDerWaalsContact O-N 3.11Å; C557-A561 PolarHBondContact O-N 3.48Å; C557-G745 WeakPolarHBondContact O-CA 3.23Å
558	A	94.8	Very high	94.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-37	177.3	0	0	0	0	0	113.1	D554 G555 N556 L560 A561 E562 T576 I578 P741	D554-A558 PolarHBondContact O-N 3.16Å; G555-A558 PolarHBondContact O-N 3.01Å; N556-A558 VanDerWaalsContact C-N 3.33Å; N556-A558 PolarHBondContact O-N 2.78Å; A558-L560 VanDerWaalsContact C-N 3.34Å; A558-A561 WeakPolarHBondContact O-CB 3.19Å; A558-A561 PolarHBondContact O-N 3.46Å; A558-E562 WeakPolarHBondContact O-CG 3.34Å; A558-E562 PolarHBondContact O-N 3.25Å; A558-T576 HydrophobicContact CB-CG2 4.34Å; A558-I578 HydrophobicContact CB-CD1 3.24Å; A558-I578 HydrophobicContact CB-CG1 3.72Å; A558-P741 HydrophobicContact CB-CB 3.67Å
559	A	96.4	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-40	174	0	0	0	0	0	111.8	G555 N556 C557 A561 E562 R563 F574 I588 L593	G555-A559 PolarHBondContact O-N 2.84Å; N556-A559 WeakPolarHBondContact O-CB 3.45Å; N556-A559 PolarHBondContact O-N 2.77Å; N556-A559 VanDerWaalsContact O-N 3.13Å; C557-A559 VanDerWaalsContact C-N 3.3Å; C557-A559 PolarHBondContact O-N 3.2Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A561 PolarHBondContact O-N 2.95Å; A559-E562 PolarHBondContact O-N 2.85Å; A559-R563 PolarHBondContact O-N 3.41Å; A559-F574 HydrophobicContact CB-CE2 4.48Å; A559-F574 WeakPolarHBondContact O-CZ 3.45Å; A559-I588 HydrophobicContact CB-CD1 4.33Å; A559-I588 HydrophobicContact CB-CG1 4.29Å; A559-L593 HydrophobicContact CB-CD1 4.31Å
560	L	96.1	Very high	94.4	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-37.9	173.3	-66	173.5	0	0	0	112.2	N556 C557 A558 R563 K564 I588 L593 S748 M749	N556-L560 WeakPolarHBondContact O-CG 3.46Å; N556-L560 PolarHBondContact O-N 3.32Å; C557-L560 WeakPolarHBondContact O-CB 3.42Å; C557-L560 PolarHBondContact O-N 2.96Å; C557-L560 VanDerWaalsContact O-N 3.11Å; A558-L560 VanDerWaalsContact C-N 3.34Å; L560-R563 WeakPolarHBondContact O-CB 3.39Å; L560-R563 PolarHBondContact O-N 3.27Å; L560-K564 WeakPolarHBondContact O-CB 3.41Å; L560-K564 PolarHBondContact O-N 2.84Å; L560-I588 HydrophobicContact CD2-CD1 4.47Å; L560-L593 HydrophobicContact CD1-CD2 4.21Å; L560-L593 HydrophobicContact CD2-CB 4.3Å; L560-L593 HydrophobicContact CD2-CD2 4.45Å; L560-L593 HydrophobicContact CG-CD2 4.27Å; L560-S748 WeakPolarHBondContact CB-OG 3.24Å; L560-M749 HydrophobicContact CD1-CG 3.69Å; L560-M749 HydrophobicContact CD1-SD 4.25Å
561	A	96.3	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-45.6	174.5	0	0	0	0	0	111.8	C557 A558 A559 R563 K564 F565 G566 L738 P741 L744	C557-A561 PolarHBondContact O-N 3.48Å; A558-A561 WeakPolarHBondContact O-CB 3.19Å; A558-A561 PolarHBondContact O-N 3.46Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A561 PolarHBondContact O-N 2.95Å; A561-R563 VanDerWaalsContact C-N 3.31Å; A561-R563 PolarHBondContact O-N 2.97Å; A561-K564 PolarHBondContact O-N 3.13Å; A561-F565 PolarHBondContact O-N 3.09Å; A561-G566 PolarHBondContact O-N 2.77Å; A561-L738 HydrophobicContact CB-CD1 3.76Å; A561-P741 HydrophobicContact CB-CB 4.47Å; A561-P741 WeakPolarHBondContact CB-O 3.41Å; A561-L744 HydrophobicContact CB-CB 4Å
562	E	96.5	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.1	175.7	-70.4	-58.7	152	0	0	112.1	A558 A559 K564 G566 H567 G568 R569 F574 T576 I703 S736	A558-E562 WeakPolarHBondContact O-CG 3.34Å; A558-E562 PolarHBondContact O-N 3.25Å; A559-E562 PolarHBondContact O-N 2.85Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 3.38Å; E562-G566 CarbonylContact O-C 3.58Å; E562-G566 VanDerWaalsContact O-C 3.23Å; E562-G566 WeakPolarHBondContact O-CA 3.24Å; E562-G566 PolarHBondContact O-N 3.27Å; E562-G566 VanDerWaalsContact O-N 3.15Å; E562-G566 WeakPolarHBondContact OE2-CA 3.47Å; E562-H567 PolarHBondContact OE2-N 3.08Å; E562-G568 CarbonylContact O-C 3.56Å; E562-G568 VanDerWaalsContact O-CA 3.28Å; E562-G568 WeakPolarHBondContact O-CA 3.41Å; E562-G568 PolarHBondContact O-N 2.94Å; E562-R569 PolarHBondContact O-N 2.85Å; E562-F574 HydrophobicContact CB-CE2 3.89Å; E562-F574 HydrophobicContact CB-CZ 4.12Å; E562-T576 HydrophobicContact CG-CG2 4.15Å; E562-I703 HydrophobicContact CB-CD1 3.76Å; E562-I703 HydrophobicContact CG-CD1 3.89Å; E562-I703 HydrophobicContact CG-CG2 4.03Å; E562-S736 WeakPolarHBondContact OE1-CB 3.37Å; E562-S736 PolarHBondContact OE1-OG 3.31Å
563	R	95.4	Very high	94.1	Very high	29 Å²	29	35.5 Å²	35.5	11%	0.109	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-40.1	175.5	-168.8	-178.6	70	173	-1.2	111.6	A559 L560 A561 R569 F574 S591 E592 D752	A559-R563 PolarHBondContact O-N 3.41Å; L560-R563 WeakPolarHBondContact O-CB 3.39Å; L560-R563 PolarHBondContact O-N 3.27Å; A561-R563 VanDerWaalsContact C-N 3.31Å; A561-R563 PolarHBondContact O-N 2.97Å; R563-R569 WeakPolarHBondContact O-CA 3.37Å; R563-F574 HydrophobicContact CB-CE1 4.15Å; R563-F574 HydrophobicContact CB-CZ 3.89Å; R563-F574 HydrophobicContact CG-CE1 4.38Å; R563-S591 PolarHBondContact NH1-O 2.83Å; R563-E592 IonicContact NH1-OE2 3.83Å; R563-D752 IonicContact NH2-OD2 3.91Å; R563-D752 PolarHBondContact NH2-OD2 3.3Å; R563-D752 VanDerWaalsContact NH2-OD2 3.08Å
564	K	93.2	Very high	94.4	Very high	57 Å²	57	34.8 Å²	34.8	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-89.6	-46.2	-172.6	-172.5	64	171.9	-165.4	0	113.5	L560 A561 E562 D752	L560-K564 WeakPolarHBondContact O-CB 3.41Å; L560-K564 PolarHBondContact O-N 2.84Å; A561-K564 PolarHBondContact O-N 3.13Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 3.38Å; K564-D752 VanDerWaalsContact CD-OD1 3.22Å; K564-D752 WeakPolarHBondContact CD-OD1 3.47Å; K564-D752 WeakPolarHBondContact CE-OD1 3.34Å; K564-D752 IonicContact NZ-OD1 2.78Å; K564-D752 PolarHBondContact NZ-OD1 3.46Å
565	F	94	Very high	94.7	Very high	47 Å²	47	32.5 Å²	32.5	21%	0.206	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-18.7	-168.3	-51.5	-64.1	0	0	0	113.9	A561 L738 L744 L751	A561-F565 PolarHBondContact O-N 3.09Å; F565-L738 HydrophobicContact CB-CD1 4.39Å; F565-L738 HydrophobicContact CB-CD2 4Å; F565-L744 HydrophobicContact CD2-CB 4.16Å; F565-L744 HydrophobicContact CE2-CB 4.35Å; F565-L751 HydrophobicContact CZ-CD1 3.99Å
566	G	94.2	Very high	95	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	17%	0.173	C	C	.	.	S	Bend	trans	-110.4	-150.3	-171.2	0	0	0	0	0	114.6	A561 E562 G568 R569	A561-G566 PolarHBondContact O-N 2.77Å; E562-G566 CarbonylContact O-C 3.58Å; E562-G566 VanDerWaalsContact O-C 3.23Å; E562-G566 WeakPolarHBondContact O-CA 3.24Å; E562-G566 PolarHBondContact O-N 3.27Å; E562-G566 VanDerWaalsContact O-N 3.15Å; E562-G566 WeakPolarHBondContact OE2-CA 3.47Å; G566-G568 PolarHBondContact O-N 2.9Å; G566-R569 PolarHBondContact O-N 2.87Å
567	H	95.2	Very high	95	Very high	72 Å²	72	32.2 Å²	32.2	33%	0.333	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.6	-173.6	-72.5	101.3	0	0	0	113.8	E562 R569 L701 I703 V734 K735 D737	E562-H567 PolarHBondContact OE2-N 3.08Å; H567-R569 VanDerWaalsContact C-N 3.28Å; H567-L701 HydrophobicContact CB-CD2 4.27Å; H567-L701 WeakPolarHBondContact O-CD2 3.47Å; H567-I703 HydrophobicContact CB-CD1 4.01Å; H567-I703 HydrophobicContact CB-CG1 4.43Å; H567-V734 HydrophobicContact CB-CG2 4.1Å; H567-K735 PolarHBondContact CE1-O 2.97Å; H567-K735 VanDerWaalsContact CE1-O 3.26Å; H567-K735 PolarHBondContact ND1-O 3.16Å; H567-D737 IonicContact CE1-OD2 3.11Å; H567-D737 PolarHBondContact CE1-OD2 3.33Å; H567-D737 IonicContact NE2-OD2 3.6Å
568	G	93.3	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.9	176.7	0	0	0	0	0	114	E562 G566 G570 V571	E562-G568 CarbonylContact O-C 3.56Å; E562-G568 VanDerWaalsContact O-CA 3.28Å; E562-G568 WeakPolarHBondContact O-CA 3.41Å; E562-G568 PolarHBondContact O-N 2.94Å; G566-G568 PolarHBondContact O-N 2.9Å; G568-G570 PolarHBondContact O-N 3.25Å; G568-V571 PolarHBondContact O-N 3.37Å; G568-V571 VanDerWaalsContact O-N 3.09Å
569	R	92.9	Very high	94.6	Very high	197 Å²	197	33.7 Å²	33.7	74%	0.743	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	119.7	-177.9	-172.5	176.4	178.5	177.4	0.7	111.6	E562 R563 G566 H567 V571	E562-R569 PolarHBondContact O-N 2.85Å; R563-R569 WeakPolarHBondContact O-CA 3.37Å; G566-R569 PolarHBondContact O-N 2.87Å; H567-R569 VanDerWaalsContact C-N 3.28Å; R569-V571 VanDerWaalsContact C-N 3.26Å; R569-V571 PolarHBondContact O-N 2.88Å
570	G	89.8	Confident	94.1	Very high	79 Å²	79	34.8 Å²	34.8	81%	0.814	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	11.6	-179	0	0	0	0	0	114.3	G568	G568-G570 PolarHBondContact O-N 3.25Å
571	V	94.2	Very high	93.5	Very high	37 Å²	37	37.6 Å²	37.6	22%	0.224	21%	0.209	C	C	.	.			trans	-104.4	116.7	175.5	-176.8	0	0	0	0	108.8	G568 R569 N573 F574 L701	G568-V571 PolarHBondContact O-N 3.37Å; G568-V571 VanDerWaalsContact O-N 3.09Å; R569-V571 VanDerWaalsContact C-N 3.26Å; R569-V571 PolarHBondContact O-N 2.88Å; V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.41Å; V571-F574 HydrophobicContact CB-CD1 4.14Å; V571-F574 HydrophobicContact CG1-CB 4.13Å; V571-F574 HydrophobicContact CG1-CD1 4.22Å; V571-F574 WeakPolarHBondContact O-CD1 2.9Å; V571-L701 HydrophobicContact CG1-CB 4.3Å; V571-L701 HydrophobicContact CG2-CD2 4.45Å
572	D	91.4	Very high	93	Very high	90 Å²	90	38.6 Å²	38.6	48%	0.481	22%	0.219	S	C	.	.	S	Bend	trans	-71.3	-28.4	-175.6	-70.4	-41	0	0	0	113.9	H589 N590 S591	D572-H589 CarbonylContact O-C 3.46Å; D572-N590 PolarHBondContact O-N 3.43Å; D572-S591 PolarHBondContact O-N 3.07Å; D572-S591 PolarHBondContact OD1-OG 2.82Å
573	N	96.4	Very high	92.7	Very high	35 Å²	35	39 Å²	39	19%	0.187	22%	0.221	C	C	.	.	S	Bend	trans	-135.4	104.1	-172.5	-61.5	-69.4	0	0	0	110.2	V571 I588 H589 N590 S700	V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.41Å; N573-I588 WeakPolarHBondContact CA-O 3.15Å; N573-H589 WeakPolarHBondContact OD1-CA 3.49Å; N573-H589 PolarHBondContact OD1-ND1 2.76Å; N573-N590 PolarHBondContact OD1-N 3.37Å; N573-S700 PolarHBondContact O-N 3.12Å
574	F	98	Very high	92.5	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.7	176.3	72.4	-93.8	0	0	0	112.2	A559 E562 R563 V571 T576 I588 L701 I703	A559-F574 HydrophobicContact CB-CE2 4.48Å; A559-F574 WeakPolarHBondContact O-CZ 3.45Å; E562-F574 HydrophobicContact CB-CE2 3.89Å; E562-F574 HydrophobicContact CB-CZ 4.12Å; R563-F574 HydrophobicContact CB-CE1 4.15Å; R563-F574 HydrophobicContact CB-CZ 3.89Å; R563-F574 HydrophobicContact CG-CE1 4.38Å; V571-F574 HydrophobicContact CB-CD1 4.14Å; V571-F574 HydrophobicContact CG1-CB 4.13Å; V571-F574 HydrophobicContact CG1-CD1 4.22Å; V571-F574 WeakPolarHBondContact O-CD1 2.9Å; F574-T576 WeakPolarHBondContact CE2-OG1 3.48Å; F574-I588 HydrophobicContact CD1-CB 3.88Å; F574-I588 HydrophobicContact CD1-CG1 4.21Å; F574-I588 HydrophobicContact CD1-CG2 4.21Å; F574-I588 HydrophobicContact CD2-CG1 4.46Å; F574-I588 HydrophobicContact CE1-CB 3.7Å; F574-I588 HydrophobicContact CE1-CG1 3.57Å; F574-I588 HydrophobicContact CE1-CG2 3.93Å; F574-I588 HydrophobicContact CE2-CB 4.43Å; F574-I588 HydrophobicContact CE2-CG1 3.85Å; F574-I588 HydrophobicContact CG-CB 4.35Å; F574-I588 HydrophobicContact CZ-CB 4Å; F574-I588 HydrophobicContact CZ-CG1 3.37Å; F574-I588 PolarHBondContact N-O 2.89Å; F574-I588 PolarHBondContact O-N 2.82Å; F574-L701 VanDerWaalsContact CA-O 3.28Å; F574-L701 WeakPolarHBondContact CA-O 3.33Å; F574-L701 HydrophobicContact CB-CB 3.88Å; F574-L701 WeakPolarHBondContact CB-O 3.19Å; F574-I703 HydrophobicContact CD2-CD1 3.71Å; F574-I703 HydrophobicContact CD2-CG1 4.4Å; F574-I703 HydrophobicContact CE2-CD1 3.92Å; F574-I703 HydrophobicContact CG-CD1 4.38Å
575	V	97.9	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.2	175.7	178.5	0	0	0	0	109.5	V577 I587 L604 I693 V697 P699 L701 V702 I703	V575-V577 HydrophobicContact CG1-CG2 4.27Å; V575-I587 HydrophobicContact CG1-CG1 4.37Å; V575-I587 HydrophobicContact CG2-CG1 4.07Å; V575-I587 HydrophobicContact CG2-CG2 4.31Å; V575-L604 HydrophobicContact CG1-CD1 3.51Å; V575-I693 HydrophobicContact CB-CG2 4.38Å; V575-I693 HydrophobicContact CG1-CG2 4.21Å; V575-I693 HydrophobicContact CG2-CG2 3.81Å; V575-V697 HydrophobicContact CG2-CG1 4.46Å; V575-P699 HydrophobicContact CG2-CB 4.02Å; V575-P699 HydrophobicContact CG2-CG 3.99Å; V575-L701 PolarHBondContact N-O 2.88Å; V575-V702 WeakPolarHBondContact O-CA 3.33Å; V575-I703 PolarHBondContact O-N 2.8Å
576	T	97.8	Very high	92.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.5	171.4	-59.4	0	0	0	0	109.2	A558 E562 F574 I578 G585 G586 I703	A558-T576 HydrophobicContact CB-CG2 4.34Å; E562-T576 HydrophobicContact CG-CG2 4.15Å; F574-T576 WeakPolarHBondContact CE2-OG1 3.48Å; T576-I578 HydrophobicContact CG2-CG1 4.47Å; T576-G585 CarbonylContact O-C 3.54Å; T576-G585 WeakPolarHBondContact O-CA 3.4Å; T576-G586 PolarHBondContact N-O 3.21Å; T576-G586 PolarHBondContact O-N 2.84Å; T576-I703 CarbonylContact C-O 3.58Å; T576-I703 VanDerWaalsContact CA-O 3.31Å; T576-I703 WeakPolarHBondContact CA-O 3.5Å
577	V	96.4	Very high	92.7	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119	174.1	-175	0	0	0	0	108.4	V575 T579 I583 L604 L686 I703 L704 S705	V575-V577 HydrophobicContact CG1-CG2 4.27Å; V577-T579 HydrophobicContact CG1-CG2 4.39Å; V577-I583 HydrophobicContact CG1-CG2 3.8Å; V577-L604 HydrophobicContact CG2-CD1 3.91Å; V577-L686 HydrophobicContact CG1-CD1 4.24Å; V577-I703 PolarHBondContact N-O 3.03Å; V577-L704 HydrophobicContact CB-CD2 3.85Å; V577-L704 HydrophobicContact CG2-CD2 4.28Å; V577-L704 WeakPolarHBondContact O-CA 3.47Å; V577-S705 PolarHBondContact O-N 2.93Å
578	I	92.3	Very high	92.9	Very high	31 Å²	31	30.1 Å²	30.1	16%	0.159	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.5	179.6	-46.6	173.5	0	0	0	108.8	A558 T576 I583 G584	A558-I578 HydrophobicContact CB-CD1 3.24Å; A558-I578 HydrophobicContact CB-CG1 3.72Å; T576-I578 HydrophobicContact CG2-CG1 4.47Å; I578-I583 VanDerWaalsContact O-CA 3.3Å; I578-I583 WeakPolarHBondContact O-CA 3.3Å; I578-G584 PolarHBondContact N-O 3.33Å; I578-G584 PolarHBondContact O-N 2.95Å
579	T	89.9	Confident	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102.4	179.2	59.1	0	0	0	0	110.2	V577 L686 S705 G706 V707 A709 Y712	V577-T579 HydrophobicContact CG1-CG2 4.39Å; T579-L686 HydrophobicContact CG2-CD2 4.34Å; T579-S705 PolarHBondContact N-O 2.87Å; T579-S705 PolarHBondContact OG1-O 2.88Å; T579-G706 CarbonylContact O-C 3.54Å; T579-G706 WeakPolarHBondContact O-CA 3.3Å; T579-V707 PolarHBondContact O-N 2.93Å; T579-A709 PolarHBondContact OG1-N 3.26Å; T579-Y712 HydrophobicContact CG2-CD2 4.25Å
580	G	85.2	Confident	92.9	Very high	24 Å²	24	30.1 Å²	30.1	25%	0.247	19%	0.194	C	C	.	.	S	Bend	trans	-138	-134.3	-178	0	0	0	0	0	110.9	G582 G630	G580-G582 VanDerWaalsContact C-N 3.29Å; G580-G582 CarbonylContact C-O 3.58Å; G580-G582 PolarHBondContact N-O 2.92Å; G580-G582 PolarHBondContact O-N 3.09Å; G580-G630 VanDerWaalsContact O-CA 3.28Å; G580-G630 WeakPolarHBondContact O-CA 3.49Å; G580-G630 PolarHBondContact O-N 3.28Å
581	T	83.2	Confident	92.9	Very high	70 Å²	70	28.4 Å²	28.4	43%	0.429	17%	0.17	S	C	.	.	S	Bend	trans	-54.9	-47.7	171.7	-57	0	0	0	0	110.9	L528 S629 M631	L528-T581 HydrophobicContact CD1-CG2 4.42Å; T581-S629 WeakPolarHBondContact O-CB 3.45Å; T581-M631 HydrophobicContact CG2-CG 3.6Å; T581-M631 HydrophobicContact CG2-SD 3.53Å; T581-M631 VanDerWaalsContact CG2-SD 3.53Å; T581-M631 WeakPolarHBondContact O-CB 3.34Å; T581-M631 WeakPolarHBondContact O-CG 3.46Å; T581-M631 PolarHBondContact O-N 2.87Å; T581-M631 VanDerWaalsContact O-N 3.15Å
582	G	86.8	Confident	92.8	Very high	20 Å²	20	30.4 Å²	30.4	21%	0.206	18%	0.177	C	C	.	.	S	Bend	trans	-112.8	-163.4	168.3	0	0	0	0	0	112.1	G580 E625	G580-G582 VanDerWaalsContact C-N 3.29Å; G580-G582 CarbonylContact C-O 3.58Å; G580-G582 PolarHBondContact N-O 2.92Å; G580-G582 PolarHBondContact O-N 3.09Å; G582-E625 WeakPolarHBondContact CA-OE1 3.49Å
583	I	90	Very high	92.9	Very high	9 Å²	9	27 Å²	27	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.1	171.6	-64.1	-178.8	0	0	0	109.3	V577 I578 G605 I624 E625 A628 L686	V577-I583 HydrophobicContact CG1-CG2 3.8Å; I578-I583 VanDerWaalsContact O-CA 3.3Å; I578-I583 WeakPolarHBondContact O-CA 3.3Å; I583-G605 VanDerWaalsContact O-CA 3.3Å; I583-G605 WeakPolarHBondContact O-CA 3.41Å; I583-G605 PolarHBondContact O-N 3.01Å; I583-I624 HydrophobicContact CD1-CG2 3.77Å; I583-E625 HydrophobicContact CB-CB 4.26Å; I583-E625 HydrophobicContact CB-CG 4.33Å; I583-E625 HydrophobicContact CG1-CB 4.47Å; I583-E625 HydrophobicContact CG1-CG 4.43Å; I583-A628 HydrophobicContact CD1-CB 3.87Å; I583-L686 HydrophobicContact CD1-CD1 4.48Å
584	G	90.4	Very high	92.8	Very high	16 Å²	16	27.9 Å²	27.9	17%	0.165	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	174.6	173.9	0	0	0	0	0	111.5	I578	I578-G584 PolarHBondContact N-O 3.33Å; I578-G584 PolarHBondContact O-N 2.95Å
585	G	92.8	Very high	92.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	169.3	172.5	0	0	0	0	0	114.3	G555 T576 A602	G555-G585 CarbonylContact C-O 3.23Å; G555-G585 VanDerWaalsContact C-O 3.27Å; G555-G585 VanDerWaalsContact CA-O 3.32Å; G555-G585 WeakPolarHBondContact CA-O 3.44Å; T576-G585 CarbonylContact O-C 3.54Å; T576-G585 WeakPolarHBondContact O-CA 3.4Å; G585-A602 CarbonylContact C-O 3.34Å
586	G	96.2	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.8	175.4	0	0	0	0	0	109.8	T576	T576-G586 PolarHBondContact N-O 3.21Å; T576-G586 PolarHBondContact O-N 2.84Å
587	I	97.6	Very high	91.8	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.3	-179.8	-60.8	167.9	0	0	0	107.9	V575 V594 A602 L604 V697	V575-I587 HydrophobicContact CG1-CG1 4.37Å; V575-I587 HydrophobicContact CG2-CG1 4.07Å; V575-I587 HydrophobicContact CG2-CG2 4.31Å; I587-V594 HydrophobicContact CB-CB 4.29Å; I587-V594 HydrophobicContact CB-CG2 4.43Å; I587-V594 HydrophobicContact CG2-CB 4.39Å; I587-V594 HydrophobicContact CG2-CG2 4.03Å; I587-V594 PolarHBondContact O-N 3.11Å; I587-A602 HydrophobicContact CB-CB 4.49Å; I587-A602 HydrophobicContact CD1-CB 4Å; I587-A602 HydrophobicContact CG1-CB 3.88Å; I587-L604 HydrophobicContact CD1-CD2 4.31Å; I587-V697 HydrophobicContact CD1-CG2 4.21Å; I587-V697 HydrophobicContact CG2-CG1 3.87Å
588	I	97.4	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	166.6	-59.4	-55.2	0	0	0	108	A559 L560 N573 F574 E592 L593	A559-I588 HydrophobicContact CB-CD1 4.33Å; A559-I588 HydrophobicContact CB-CG1 4.29Å; L560-I588 HydrophobicContact CD2-CD1 4.47Å; N573-I588 WeakPolarHBondContact CA-O 3.15Å; F574-I588 HydrophobicContact CD1-CB 3.88Å; F574-I588 HydrophobicContact CD1-CG1 4.21Å; F574-I588 HydrophobicContact CD1-CG2 4.21Å; F574-I588 HydrophobicContact CD2-CG1 4.46Å; F574-I588 HydrophobicContact CE1-CB 3.7Å; F574-I588 HydrophobicContact CE1-CG1 3.57Å; F574-I588 HydrophobicContact CE1-CG2 3.93Å; F574-I588 HydrophobicContact CE2-CB 4.43Å; F574-I588 HydrophobicContact CE2-CG1 3.85Å; F574-I588 HydrophobicContact CG-CB 4.35Å; F574-I588 HydrophobicContact CZ-CB 4Å; F574-I588 HydrophobicContact CZ-CG1 3.37Å; F574-I588 PolarHBondContact N-O 2.89Å; F574-I588 PolarHBondContact O-N 2.82Å; I588-E592 CarbonylContact C-O 3.54Å; I588-E592 WeakPolarHBondContact CA-O 3.4Å; I588-L593 HydrophobicContact CD1-CB 3.94Å; I588-L593 HydrophobicContact CD1-CD1 3.77Å; I588-L593 HydrophobicContact CD1-CG 4.48Å
589	H	95.2	Very high	91.3	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.398	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129	176	-173.7	61.7	0	0	0	109.6	D572 N573 S591 E592 V594	D572-H589 CarbonylContact O-C 3.46Å; N573-H589 WeakPolarHBondContact OD1-CA 3.49Å; N573-H589 PolarHBondContact OD1-ND1 2.76Å; H589-S591 VanDerWaalsContact C-N 3.27Å; H589-S591 PolarHBondContact O-N 3.32Å; H589-E592 PolarHBondContact N-O 3.49Å; H589-E592 PolarHBondContact O-N 2.86Å; H589-E592 VanDerWaalsContact O-N 3.17Å; H589-E592 VanDerWaalsContact O-O 3.12Å; H589-V594 HydrophobicContact CB-CG2 3.7Å
590	N	92.9	Very high	91.2	Very high	110 Å²	110	44.5 Å²	44.5	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	46.9	-171.5	-57.4	-37.1	0	0	0	112.7	D572 N573 E592	D572-N590 PolarHBondContact O-N 3.43Å; N573-N590 PolarHBondContact OD1-N 3.37Å; N590-E592 PolarHBondContact O-N 3.28Å; N590-E592 VanDerWaalsContact O-N 3.08Å
591	S	89.6	Confident	91.5	Very high	44 Å²	44	44.7 Å²	44.7	31%	0.308	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	4.1	-179.9	-87.9	0	0	0	0	116	R563 D572 H589	R563-S591 PolarHBondContact NH1-O 2.83Å; D572-S591 PolarHBondContact O-N 3.07Å; D572-S591 PolarHBondContact OD1-OG 2.82Å; H589-S591 VanDerWaalsContact C-N 3.27Å; H589-S591 PolarHBondContact O-N 3.32Å
592	E	90.9	Very high	91.9	Very high	79 Å²	79	41.8 Å²	41.8	37%	0.369	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.2	179.7	-70.1	-62.9	161.4	0	0	112.2	R563 I588 H589 N590 R756	R563-E592 IonicContact NH1-OE2 3.83Å; I588-E592 CarbonylContact C-O 3.54Å; I588-E592 WeakPolarHBondContact CA-O 3.4Å; H589-E592 PolarHBondContact N-O 3.49Å; H589-E592 PolarHBondContact O-N 2.86Å; H589-E592 VanDerWaalsContact O-N 3.17Å; H589-E592 VanDerWaalsContact O-O 3.12Å; N590-E592 PolarHBondContact O-N 3.28Å; N590-E592 VanDerWaalsContact O-N 3.08Å; E592-R756 IonicContact OE1-CZ 3.85Å; E592-R756 IonicContact OE1-NH1 3.74Å; E592-R756 PolarHBondContact OE1-NH1 3.31Å; E592-R756 IonicContact OE1-NH2 3.31Å; E592-R756 PolarHBondContact OE1-NH2 2.97Å
593	L	93.5	Very high	92	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137	-179.7	-176.5	69.6	0	0	0	110.6	N556 A559 L560 I588 H595	N556-L593 HydrophobicContact CB-CD1 4.17Å; N556-L593 HydrophobicContact CB-CD2 3.57Å; N556-L593 HydrophobicContact CB-CG 4.42Å; A559-L593 HydrophobicContact CB-CD1 4.31Å; L560-L593 HydrophobicContact CD1-CD2 4.21Å; L560-L593 HydrophobicContact CD2-CB 4.3Å; L560-L593 HydrophobicContact CD2-CD2 4.45Å; L560-L593 HydrophobicContact CG-CD2 4.27Å; I588-L593 HydrophobicContact CD1-CB 3.94Å; I588-L593 HydrophobicContact CD1-CD1 3.77Å; I588-L593 HydrophobicContact CD1-CG 4.48Å; L593-H595 VanDerWaalsContact CD2-CE1 3.47Å; L593-H595 WeakPolarHBondContact CD2-CE1 3.42Å; L593-H595 WeakPolarHBondContact CD2-NE2 3.42Å
594	V	95.3	Very high	92.2	Very high	52 Å²	52	43.9 Å²	43.9	32%	0.315	26%	0.262	S	S	.	.			trans	-94.3	103.6	176.6	-176.8	0	0	0	0	110.1	I587 H589 A601	I587-V594 HydrophobicContact CB-CB 4.29Å; I587-V594 HydrophobicContact CB-CG2 4.43Å; I587-V594 HydrophobicContact CG2-CB 4.39Å; I587-V594 HydrophobicContact CG2-CG2 4.03Å; I587-V594 PolarHBondContact O-N 3.11Å; H589-V594 HydrophobicContact CB-CG2 3.7Å; V594-A601 HydrophobicContact CG1-CB 4.06Å; V594-A601 WeakPolarHBondContact O-CB 3.19Å
595	H	92.3	Very high	92.3	Very high	51 Å²	51	43.1 Å²	43.1	24%	0.236	25%	0.254	C	S	.	.			trans	-84.7	-24.3	175.1	-61.3	91	0	0	0	114	D552 L593 F599 C600 A601	D552-H595 IonicContact OD1-CD2 3.89Å; D552-H595 IonicContact OD1-NE2 3.08Å; D552-H595 IonicContact OD2-CD2 3.6Å; D552-H595 IonicContact OD2-CE1 2.64Å; D552-H595 IonicContact OD2-NE2 3.64Å; D552-H595 PolarHBondContact OD2-NE2 3.08Å; L593-H595 VanDerWaalsContact CD2-CE1 3.47Å; L593-H595 WeakPolarHBondContact CD2-CE1 3.42Å; L593-H595 WeakPolarHBondContact CD2-NE2 3.42Å; H595-F599 HydrophobicContact CB-CD1 4.1Å; H595-F599 CarbonylContact O-C 3.41Å; H595-F599 WeakPolarHBondContact O-CA 3.11Å; H595-C600 PolarHBondContact O-N 2.98Å; H595-A601 VanDerWaalsContact C-CB 3.41Å; H595-A601 WeakPolarHBondContact O-CB 3.48Å; H595-A601 PolarHBondContact O-N 3.34Å; H595-A601 VanDerWaalsContact O-N 3.07Å
596	G	90.4	Very high	92.3	Very high	39 Å²	39	45.7 Å²	45.7	40%	0.402	27%	0.265	S	S	.	.			trans	76	170.1	-172.7	0	0	0	0	0	113.3	T598 F599	G596-T598 VanDerWaalsContact C-N 3.26Å; G596-T598 PolarHBondContact O-N 3.02Å; G596-F599 PolarHBondContact O-N 3.15Å
597	S	89.4	Confident	92.3	Very high	120 Å²	120	47.6 Å²	47.6	84%	0.839	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.5	-172.1	55.9	0	0	0	0	114.9
598	T	87.7	Confident	92.2	Very high	88 Å²	88	50.9 Å²	50.9	54%	0.54	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	24	-178.3	51.9	0	0	0	0	111.8	G596 C600	G596-T598 VanDerWaalsContact C-N 3.26Å; G596-T598 PolarHBondContact O-N 3.02Å; T598-C600 VanDerWaalsContact C-N 3.26Å; T598-C600 PolarHBondContact O-N 3.29Å; T598-C600 PolarHBondContact O-SG 2.64Å
599	F	90.9	Very high	92.2	Very high	48 Å²	48	52.6 Å²	52.6	21%	0.211	30%	0.299	C	S	.	.	S	Bend	trans	57.9	35.8	178.9	-42.2	-73.2	0	0	0	113.9	V515 N516 P517 L523 H595 G596	V515-F599 WeakPolarHBondContact O-CB 3.25Å; N516-F599 HydrophobicContact CB-CD2 4Å; N516-F599 HydrophobicContact CB-CE2 3.85Å; N516-F599 HydrophobicContact CB-CZ 4.3Å; N516-F599 VanDerWaalsContact CG-CE2 3.47Å; N516-F599 VanDerWaalsContact OD1-CZ 3.22Å; N516-F599 WeakPolarHBondContact OD1-CZ 3.17Å; P517-F599 HydrophobicContact CG-CD1 4.38Å; P517-F599 HydrophobicContact CG-CE1 4.41Å; L523-F599 HydrophobicContact CD1-CB 4.48Å; L523-F599 HydrophobicContact CD1-CD2 3.87Å; H595-F599 HydrophobicContact CB-CD1 4.1Å; H595-F599 CarbonylContact O-C 3.41Å; H595-F599 WeakPolarHBondContact O-CA 3.11Å; G596-F599 PolarHBondContact O-N 3.15Å
600	C	87.8	Confident	92.2	Very high	39 Å²	39	50.4 Å²	50.4	26%	0.264	29%	0.294	S	S	.	.			trans	-122.1	9.5	-179.1	-59.2	0	0	0	0	112.7	R514 H595 T598	R514-C600 WeakPolarHBondContact CD-SG 3.41Å; R514-C600 PolarHBondContact NH1-SG 3.07Å; H595-C600 PolarHBondContact O-N 2.98Å; T598-C600 VanDerWaalsContact C-N 3.26Å; T598-C600 PolarHBondContact O-N 3.29Å; T598-C600 PolarHBondContact O-SG 2.64Å
601	A	91.1	Very high	92.1	Very high	28 Å²	28	51.4 Å²	51.4	23%	0.231	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	158.4	174.7	0	0	0	0	0	110.4	V594 H595 E603	V594-A601 HydrophobicContact CG1-CB 4.06Å; V594-A601 WeakPolarHBondContact O-CB 3.19Å; H595-A601 VanDerWaalsContact C-CB 3.41Å; H595-A601 WeakPolarHBondContact O-CB 3.48Å; H595-A601 PolarHBondContact O-N 3.34Å; H595-A601 VanDerWaalsContact O-N 3.07Å; A601-E603 VanDerWaalsContact C-N 3.26Å; A601-E603 PolarHBondContact O-N 3.46Å
602	A	90.9	Very high	92.2	Very high	9 Å²	9	56.5 Å²	56.5	7%	0.074	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	24.4	176.9	0	0	0	0	0	116.2	G585 I587 L604	G585-A602 CarbonylContact C-O 3.34Å; I587-A602 HydrophobicContact CB-CB 4.49Å; I587-A602 HydrophobicContact CD1-CB 4Å; I587-A602 HydrophobicContact CG1-CB 3.88Å; A602-L604 HydrophobicContact CB-CD2 4.43Å; A602-L604 HydrophobicContact CB-CG 4.49Å; A602-L604 WeakPolarHBondContact O-CG 3.48Å; A602-L604 PolarHBondContact O-N 3.07Å
603	E	90.6	Very high	92.2	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.299	31%	0.311	S	S	.	.			trans	-71.7	58.1	164.6	-67.4	-67.9	166.9	0	0	111.1	A601 G605 H606	A601-E603 VanDerWaalsContact C-N 3.26Å; A601-E603 PolarHBondContact O-N 3.46Å; E603-G605 VanDerWaalsContact C-N 3.28Å; E603-G605 PolarHBondContact O-N 3.41Å; E603-H606 PolarHBondContact O-N 3.36Å; E603-H606 VanDerWaalsContact O-N 3.08Å; E603-H606 IonicContact OE2-CD2 2.79Å
604	L	93.4	Very high	92.2	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.052	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-64.8	-30	-164.9	-56.8	-174	0	0	0	112.6	V575 V577 I587 A602 H606 I607 I624 I693	V575-L604 HydrophobicContact CG1-CD1 3.51Å; V577-L604 HydrophobicContact CG2-CD1 3.91Å; I587-L604 HydrophobicContact CD1-CD2 4.31Å; A602-L604 HydrophobicContact CB-CD2 4.43Å; A602-L604 HydrophobicContact CB-CG 4.49Å; A602-L604 WeakPolarHBondContact O-CG 3.48Å; A602-L604 PolarHBondContact O-N 3.07Å; L604-H606 PolarHBondContact O-N 3.23Å; L604-I607 HydrophobicContact CB-CD1 4.42Å; L604-I607 HydrophobicContact CD2-CD1 4.11Å; L604-I607 WeakPolarHBondContact O-CG1 3.03Å; L604-I607 PolarHBondContact O-N 2.95Å; L604-I624 WeakPolarHBondContact O-CD1 3.44Å; L604-I693 HydrophobicContact CB-CD1 4.43Å; L604-I693 HydrophobicContact CD1-CD1 3.94Å; L604-I693 HydrophobicContact CD2-CD1 3.89Å; L604-I693 HydrophobicContact CD2-CG1 4.28Å; L604-I693 HydrophobicContact CG-CD1 4.3Å
605	G	91.7	Very high	92.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24.5	176.2	0	0	0	0	0	113.8	I583 E603 C623 I624 E625	I583-G605 VanDerWaalsContact O-CA 3.3Å; I583-G605 WeakPolarHBondContact O-CA 3.41Å; I583-G605 PolarHBondContact O-N 3.01Å; E603-G605 VanDerWaalsContact C-N 3.28Å; E603-G605 PolarHBondContact O-N 3.41Å; G605-C623 WeakPolarHBondContact O-CB 3.46Å; G605-I624 PolarHBondContact O-N 3.38Å; G605-E625 VanDerWaalsContact O-CB 3.32Å; G605-E625 WeakPolarHBondContact O-CB 3.32Å; G605-E625 PolarHBondContact O-N 2.94Å
606	H	93.1	Very high	91.9	Very high	54 Å²	54	57.7 Å²	57.7	25%	0.25	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-95.6	1.7	-175.3	-60	-36.3	0	0	0	114.2	E603 L604 K608 C623 E625	E603-H606 PolarHBondContact O-N 3.36Å; E603-H606 VanDerWaalsContact O-N 3.08Å; E603-H606 IonicContact OE2-CD2 2.79Å; L604-H606 PolarHBondContact O-N 3.23Å; H606-K608 PolarHBondContact O-N 3Å; H606-C623 PolarHBondContact O-SG 2.9Å; H606-C623 VanDerWaalsContact O-SG 3.38Å; H606-E625 IonicContact CE1-OE2 2.72Å; H606-E625 PolarHBondContact CE1-OE2 3.34Å; H606-E625 IonicContact ND1-OE2 3.77Å
607	I	95.8	Very high	91.6	Very high	40 Å²	40	60 Å²	60	21%	0.205	34%	0.342	C	S	.	.			trans	-58.3	127.2	170	-64.7	170.5	0	0	0	108.9	L604 V609 C623 I624 N692 I693	L604-I607 HydrophobicContact CB-CD1 4.42Å; L604-I607 HydrophobicContact CD2-CD1 4.11Å; L604-I607 WeakPolarHBondContact O-CG1 3.03Å; L604-I607 PolarHBondContact O-N 2.95Å; I607-V609 HydrophobicContact CG2-CG1 4.32Å; I607-C623 CarbonylContact O-C 3.57Å; I607-C623 WeakPolarHBondContact O-CA 3.36Å; I607-I624 HydrophobicContact CB-CD1 3.69Å; I607-I624 HydrophobicContact CB-CG1 4.31Å; I607-I624 HydrophobicContact CD1-CD1 4.38Å; I607-I624 HydrophobicContact CG2-CD1 4.09Å; I607-I624 WeakPolarHBondContact O-CG1 3.48Å; I607-I624 PolarHBondContact O-N 3.24Å; I607-N692 HydrophobicContact CG2-CB 4.48Å; I607-I693 HydrophobicContact CD1-CD1 3.81Å; I607-I693 HydrophobicContact CD1-CG1 3.64Å
608	K	96.2	Very high	91.3	Very high	89 Å²	89	57 Å²	57	39%	0.387	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-83	124.3	-179.5	-169.6	169.8	-179.4	174.3	0	110.3	H606 S610 Q621	H606-K608 PolarHBondContact O-N 3Å; K608-S610 WeakPolarHBondContact CE-O 3.43Å; K608-S610 WeakPolarHBondContact CG-O 3.08Å; K608-Q621 WeakPolarHBondContact CE-O 3.5Å
609	V	96.9	Very high	91.2	Very high	35 Å²	35	56.3 Å²	56.3	21%	0.212	33%	0.33	C	S	.	.			trans	-120.1	-2.1	-178.9	-63.4	0	0	0	0	113.2	I607 G622 I624 F627 A685 V688	I607-V609 HydrophobicContact CG2-CG1 4.32Å; V609-G622 PolarHBondContact N-O 3.22Å; V609-I624 HydrophobicContact CG1-CD1 4.27Å; V609-I624 HydrophobicContact CG1-CG1 3.61Å; V609-I624 HydrophobicContact CG2-CG1 4.16Å; V609-F627 HydrophobicContact CG2-CD2 4.07Å; V609-F627 HydrophobicContact CG2-CE2 4.04Å; V609-A685 HydrophobicContact CG2-CB 3.89Å; V609-V688 HydrophobicContact CB-CG1 4.09Å; V609-V688 HydrophobicContact CG1-CB 4.34Å; V609-V688 HydrophobicContact CG1-CG1 3.95Å
610	S	95.1	Very high	91.1	Very high	41 Å²	41	56.6 Å²	56.6	29%	0.287	34%	0.339	S	S	.	.			trans	-146.3	135.3	174.9	-176.7	0	0	0	0	110.2	K608 G613 G622	K608-S610 WeakPolarHBondContact CE-O 3.43Å; K608-S610 WeakPolarHBondContact CG-O 3.08Å; S610-G613 PolarHBondContact OG-N 3.13Å; S610-G622 PolarHBondContact N-O 3.28Å
611	L	91.9	Very high	91.4	Very high	131 Å²	131	59 Å²	59	69%	0.686	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-41.5	175.1	-66.5	178.6	0	0	0	111.6
612	D	90.8	Very high	91.6	Very high	151 Å²	151	57.7 Å²	57.7	81%	0.807	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	49.7	-178.4	-52.2	-50.1	0	0	0	110.9
613	G	90.7	Very high	91.9	Very high	13 Å²	13	57.3 Å²	57.3	13%	0.134	33%	0.332	C	S	.	.			trans	-92	175.9	-177.8	0	0	0	0	0	113.9	S610	S610-G613 PolarHBondContact OG-N 3.13Å
614	P	93.3	Very high	92.2	Very high	39 Å²	39	54.5 Å²	54.5	25%	0.253	32%	0.319	S	S	.	.			trans	-66.2	154.5	176.2	29.7	-32.3	0	0	0	111.1	Q621 G622 A626 F627	P614-Q621 WeakPolarHBondContact O-CA 3.22Å; P614-G622 PolarHBondContact O-N 2.88Å; P614-A626 HydrophobicContact CB-CB 4.5Å; P614-A626 HydrophobicContact CG-CB 3.88Å; P614-F627 HydrophobicContact CG-CD1 3.92Å; P614-F627 HydrophobicContact CG-CD2 4.36Å; P614-F627 HydrophobicContact CG-CE1 3.71Å; P614-F627 HydrophobicContact CG-CE2 4.2Å; P614-F627 HydrophobicContact CG-CG 4.26Å; P614-F627 HydrophobicContact CG-CZ 3.9Å
615	E	93	Very high	92.2	Very high	163 Å²	163	55.2 Å²	55.2	76%	0.762	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-63.1	140.1	174	-65.3	-174.2	166.5	0	0	111.6
616	C	89.1	Confident	92.3	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	32%	0.324	C	S	.	.			trans	-105.9	148.7	175.9	-169.7	0	0	0	0	110.3	C618 G619 S620 C623 A626	C616-C618 PolarHBondContact O-N 2.92Å; C616-C618 VanDerWaalsContact O-N 3.13Å; C616-G619 PolarHBondContact O-N 3.23Å; C616-S620 PolarHBondContact N-O 3.21Å; C616-C623 HydrophobicContact CB-CB 3.99Å; C616-A626 HydrophobicContact CB-CB 3.98Å
617	S	83.1	Confident	92.5	Very high	88 Å²	88	54 Å²	54	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.4	175.5	50	0	0	0	0	113.5	G619	S617-G619 PolarHBondContact O-N 3.06Å
618	C	83.2	Confident	92.5	Very high	55 Å²	55	52.1 Å²	52.1	37%	0.372	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.9	174.5	73.1	0	0	0	0	114	C616	C616-C618 PolarHBondContact O-N 2.92Å; C616-C618 VanDerWaalsContact O-N 3.13Å
619	G	86.2	Confident	92.3	Very high	74 Å²	74	48.1 Å²	48.1	76%	0.763	29%	0.291	S	S	*	.	S	Bend	trans	94	-1.1	-178.5	0	0	0	0	0	114.7	C616 S617	C616-G619 PolarHBondContact O-N 3.23Å; S617-G619 PolarHBondContact O-N 3.06Å
620	S	89.9	Confident	92	Very high	55 Å²	55	47.1 Å²	47.1	39%	0.385	29%	0.287	S	S	.	.			trans	-96.2	-175.2	173.8	-165.8	0	0	0	0	111.9	C616	C616-S620 PolarHBondContact N-O 3.21Å
621	Q	93.4	Very high	91.7	Very high	89 Å²	89	49.7 Å²	49.7	42%	0.416	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-132.5	145	175.3	60.1	177	-18.1	0	0	111.7	K608 P614	K608-Q621 WeakPolarHBondContact CE-O 3.5Å; P614-Q621 WeakPolarHBondContact O-CA 3.22Å
622	G	95	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	75	19.8	175.7	0	0	0	0	0	115.7	V609 S610 P614	V609-G622 PolarHBondContact N-O 3.22Å; S610-G622 PolarHBondContact N-O 3.28Å; P614-G622 PolarHBondContact O-N 2.88Å
623	C	96.6	Very high	91.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-66.7	150	170	-64.2	0	0	0	0	111.5	G605 H606 I607 C616 E625 A626 F627	G605-C623 WeakPolarHBondContact O-CB 3.46Å; H606-C623 PolarHBondContact O-SG 2.9Å; H606-C623 VanDerWaalsContact O-SG 3.38Å; I607-C623 CarbonylContact O-C 3.57Å; I607-C623 WeakPolarHBondContact O-CA 3.36Å; C616-C623 HydrophobicContact CB-CB 3.99Å; C623-E625 PolarHBondContact O-N 2.98Å; C623-A626 WeakPolarHBondContact O-CB 3.46Å; C623-A626 PolarHBondContact O-N 3.08Å; C623-F627 VanDerWaalsContact O-CD2 3.3Å; C623-F627 WeakPolarHBondContact O-CD2 3.41Å
624	I	96.8	Very high	91.9	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-53.5	-44.7	175.6	-59.6	164.7	0	0	0	111	I583 L604 G605 I607 V609 A626 F627 A628 L686	I583-I624 HydrophobicContact CD1-CG2 3.77Å; L604-I624 WeakPolarHBondContact O-CD1 3.44Å; G605-I624 PolarHBondContact O-N 3.38Å; I607-I624 HydrophobicContact CB-CD1 3.69Å; I607-I624 HydrophobicContact CB-CG1 4.31Å; I607-I624 HydrophobicContact CD1-CD1 4.38Å; I607-I624 HydrophobicContact CG2-CD1 4.09Å; I607-I624 WeakPolarHBondContact O-CG1 3.48Å; I607-I624 PolarHBondContact O-N 3.24Å; V609-I624 HydrophobicContact CG1-CD1 4.27Å; V609-I624 HydrophobicContact CG1-CG1 3.61Å; V609-I624 HydrophobicContact CG2-CG1 4.16Å; I624-A626 PolarHBondContact O-N 2.64Å; I624-F627 PolarHBondContact O-N 3.37Å; I624-A628 HydrophobicContact CG2-CB 4.29Å; I624-A628 PolarHBondContact O-N 2.86Å; I624-L686 HydrophobicContact CG2-CB 4.13Å; I624-L686 HydrophobicContact CG2-CD1 3.72Å
625	E	94.1	Very high	91.8	Very high	25 Å²	25	43.3 Å²	43.3	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-36.2	179.6	-171	-179	157.6	0	0	112.6	G582 I583 G605 H606 C623 F627 S629 A632	G582-E625 WeakPolarHBondContact CA-OE1 3.49Å; I583-E625 HydrophobicContact CB-CB 4.26Å; I583-E625 HydrophobicContact CB-CG 4.33Å; I583-E625 HydrophobicContact CG1-CB 4.47Å; I583-E625 HydrophobicContact CG1-CG 4.43Å; G605-E625 VanDerWaalsContact O-CB 3.32Å; G605-E625 WeakPolarHBondContact O-CB 3.32Å; G605-E625 PolarHBondContact O-N 2.94Å; H606-E625 IonicContact CE1-OE2 2.72Å; H606-E625 PolarHBondContact CE1-OE2 3.34Å; H606-E625 IonicContact ND1-OE2 3.77Å; C623-E625 PolarHBondContact O-N 2.98Å; E625-F627 PolarHBondContact O-N 2.91Å; E625-S629 WeakPolarHBondContact O-CB 3.42Å; E625-S629 PolarHBondContact O-N 3.17Å; E625-S629 PolarHBondContact O-OG 3.01Å; E625-A632 WeakPolarHBondContact O-CB 3.42Å
626	A	94.7	Very high	91.8	Very high	6 Å²	6	37.9 Å²	37.9	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-15.8	179.6	0	0	0	0	0	113.2	P614 C616 C623 I624 A632 R635	P614-A626 HydrophobicContact CB-CB 4.5Å; P614-A626 HydrophobicContact CG-CB 3.88Å; C616-A626 HydrophobicContact CB-CB 3.98Å; C623-A626 WeakPolarHBondContact O-CB 3.46Å; C623-A626 PolarHBondContact O-N 3.08Å; I624-A626 PolarHBondContact O-N 2.64Å; A626-A632 VanDerWaalsContact O-CB 3.26Å; A626-A632 WeakPolarHBondContact O-CB 3.47Å; A626-R635 PolarHBondContact O-NH2 3.18Å
627	F	96.3	Very high	91.9	Very high	23 Å²	23	37.4 Å²	37.4	10%	0.101	22%	0.218	C	C	.	.	H	α-helix	trans	-103.7	-42.8	175.4	-68.8	-77	0	0	0	113.6	V609 P614 C623 I624 E625 K681 A682 A685	V609-F627 HydrophobicContact CG2-CD2 4.07Å; V609-F627 HydrophobicContact CG2-CE2 4.04Å; P614-F627 HydrophobicContact CG-CD1 3.92Å; P614-F627 HydrophobicContact CG-CD2 4.36Å; P614-F627 HydrophobicContact CG-CE1 3.71Å; P614-F627 HydrophobicContact CG-CE2 4.2Å; P614-F627 HydrophobicContact CG-CG 4.26Å; P614-F627 HydrophobicContact CG-CZ 3.9Å; C623-F627 VanDerWaalsContact O-CD2 3.3Å; C623-F627 WeakPolarHBondContact O-CD2 3.41Å; I624-F627 PolarHBondContact O-N 3.37Å; E625-F627 PolarHBondContact O-N 2.91Å; F627-K681 HydrophobicContact CD1-CD 4.31Å; F627-K681 HydrophobicContact CD1-CG 4.31Å; F627-K681 HydrophobicContact CE1-CD 4.19Å; F627-K681 HydrophobicContact CE1-CG 4.43Å; F627-A682 WeakPolarHBondContact O-CB 3.32Å; F627-A685 HydrophobicContact CB-CB 3.55Å; F627-A685 HydrophobicContact CD1-CB 4.49Å; F627-A685 HydrophobicContact CD2-CB 3.76Å; F627-A685 HydrophobicContact CG-CB 3.71Å
628	A	96.1	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-118.8	-0.2	-160.9	0	0	0	0	0	115.2	I583 I624 A682 L686 Y712	I583-A628 HydrophobicContact CD1-CB 3.87Å; I624-A628 HydrophobicContact CG2-CB 4.29Å; I624-A628 PolarHBondContact O-N 2.86Å; A628-A682 HydrophobicContact CB-CB 4.16Å; A628-L686 HydrophobicContact CB-CB 4.07Å; A628-Y712 WeakPolarHBondContact CA-OH 3.3Å; A628-Y712 HydrophobicContact CB-CE1 4.49Å; A628-Y712 HydrophobicContact CB-CE2 4.44Å; A628-Y712 WeakPolarHBondContact O-CE2 3.09Å; A628-Y712 PolarHBondContact O-OH 2.89Å; A628-Y712 VanDerWaalsContact O-OH 3.09Å
629	S	92.9	Very high	92.6	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	21%	0.213	C	C	.	.	S	Bend	trans	-73	161.5	172.7	65.7	0	0	0	0	112.2	T581 E625 M631 A632 L633	T581-S629 WeakPolarHBondContact O-CB 3.45Å; E625-S629 WeakPolarHBondContact O-CB 3.42Å; E625-S629 PolarHBondContact O-N 3.17Å; E625-S629 PolarHBondContact O-OG 3.01Å; S629-M631 VanDerWaalsContact C-N 3.27Å; S629-M631 PolarHBondContact O-N 3.32Å; S629-A632 PolarHBondContact O-N 3.2Å; S629-A632 VanDerWaalsContact O-N 3.14Å; S629-A632 WeakPolarHBondContact OG-CB 3.3Å; S629-A632 PolarHBondContact OG-N 3Å; S629-A632 VanDerWaalsContact OG-N 3.08Å; S629-L633 WeakPolarHBondContact O-CG 3.44Å; S629-L633 PolarHBondContact O-N 3.06Å
630	G	90.6	Very high	92.8	Very high	14 Å²	14	37.5 Å²	37.5	14%	0.144	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-39.4	172.8	0	0	0	0	0	112.6	G580 L633 Q634	G580-G630 VanDerWaalsContact O-CA 3.28Å; G580-G630 WeakPolarHBondContact O-CA 3.49Å; G580-G630 PolarHBondContact O-N 3.28Å; G630-L633 PolarHBondContact O-N 3.04Å; G630-Q634 VanDerWaalsContact O-CB 3.24Å; G630-Q634 WeakPolarHBondContact O-CB 3.44Å; G630-Q634 PolarHBondContact O-N 2.81Å
631	M	88.6	Confident	92.7	Very high	95 Å²	95	37.2 Å²	37.2	47%	0.468	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-42.4	174.3	-76.1	-177.9	65.6	0	0	112.5	T581 S629 Q634 R635	T581-M631 HydrophobicContact CG2-CG 3.6Å; T581-M631 HydrophobicContact CG2-SD 3.53Å; T581-M631 VanDerWaalsContact CG2-SD 3.53Å; T581-M631 WeakPolarHBondContact O-CB 3.34Å; T581-M631 WeakPolarHBondContact O-CG 3.46Å; T581-M631 PolarHBondContact O-N 2.87Å; T581-M631 VanDerWaalsContact O-N 3.15Å; S629-M631 VanDerWaalsContact C-N 3.27Å; S629-M631 PolarHBondContact O-N 3.32Å; M631-Q634 PolarHBondContact O-N 3.39Å; M631-R635 WeakPolarHBondContact O-CB 3.35Å; M631-R635 PolarHBondContact O-N 2.83Å
632	A	92.3	Very high	92.4	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-45.8	177.4	0	0	0	0	0	111.5	E625 A626 S629 R635 E636	E625-A632 WeakPolarHBondContact O-CB 3.42Å; A626-A632 VanDerWaalsContact O-CB 3.26Å; A626-A632 WeakPolarHBondContact O-CB 3.47Å; S629-A632 PolarHBondContact O-N 3.2Å; S629-A632 VanDerWaalsContact O-N 3.14Å; S629-A632 WeakPolarHBondContact OG-CB 3.3Å; S629-A632 PolarHBondContact OG-N 3Å; S629-A632 VanDerWaalsContact OG-N 3.08Å; A632-R635 PolarHBondContact O-N 3.26Å; A632-E636 PolarHBondContact O-N 3.28Å; A632-E636 VanDerWaalsContact O-N 3.11Å
633	L	93.9	Very high	92.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-39.6	176.7	-66.1	-170.8	0	0	0	112.2	S629 G630 E636 A637 A661 L664 V678 L679 A682 L708	S629-L633 WeakPolarHBondContact O-CG 3.44Å; S629-L633 PolarHBondContact O-N 3.06Å; G630-L633 PolarHBondContact O-N 3.04Å; L633-E636 PolarHBondContact O-N 3.47Å; L633-A637 VanDerWaalsContact O-CB 3.3Å; L633-A637 WeakPolarHBondContact O-CB 3.39Å; L633-A637 PolarHBondContact O-N 3.34Å; L633-A661 HydrophobicContact CB-CB 3.71Å; L633-A661 HydrophobicContact CD1-CB 4.24Å; L633-L664 HydrophobicContact CB-CD2 4.14Å; L633-L664 HydrophobicContact CD2-CD2 4.09Å; L633-V678 HydrophobicContact CD2-CG1 4.46Å; L633-L679 HydrophobicContact CD1-CD2 4Å; L633-L679 HydrophobicContact CD2-CD2 3.94Å; L633-A682 HydrophobicContact CD2-CB 3.86Å; L633-L708 HydrophobicContact CD1-CD1 3.89Å; L633-L708 HydrophobicContact CD1-CD2 4.17Å
634	Q	91.7	Very high	91.5	Very high	82 Å²	82	50.2 Å²	50.2	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-42	175.9	-178.7	175.9	24.6	0	0	111.8	G630 M631 E636 A637 K638 I659	G630-Q634 VanDerWaalsContact O-CB 3.24Å; G630-Q634 WeakPolarHBondContact O-CB 3.44Å; G630-Q634 PolarHBondContact O-N 2.81Å; M631-Q634 PolarHBondContact O-N 3.39Å; Q634-E636 VanDerWaalsContact C-N 3.35Å; Q634-E636 PolarHBondContact O-N 2.92Å; Q634-A637 WeakPolarHBondContact O-CB 3.38Å; Q634-A637 PolarHBondContact O-N 3.38Å; Q634-K638 WeakPolarHBondContact O-CB 3.28Å; Q634-K638 PolarHBondContact O-N 2.87Å; Q634-I659 WeakPolarHBondContact CG-O 3.28Å; Q634-I659 PolarHBondContact NE2-O 3.09Å
635	R	91.3	Very high	91	Very high	115 Å²	115	53.5 Å²	53.5	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-45.2	176.3	-178.5	-178.9	62	-139.8	-7.1	111.4	A626 M631 A632 K638 R639	A626-R635 PolarHBondContact O-NH2 3.18Å; M631-R635 WeakPolarHBondContact O-CB 3.35Å; M631-R635 PolarHBondContact O-N 2.83Å; A632-R635 PolarHBondContact O-N 3.26Å; R635-K638 PolarHBondContact O-N 2.71Å; R635-R639 PolarHBondContact O-N 3.45Å
636	E	93.3	Very high	90.5	Very high	50 Å²	50	52.4 Å²	52.4	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-37.2	176.1	-69.7	-56.7	140.5	0	0	112.8	A632 L633 Q634 K638 R639 L640 V678	A632-E636 PolarHBondContact O-N 3.28Å; A632-E636 VanDerWaalsContact O-N 3.11Å; L633-E636 PolarHBondContact O-N 3.47Å; Q634-E636 VanDerWaalsContact C-N 3.35Å; Q634-E636 PolarHBondContact O-N 2.92Å; E636-K638 VanDerWaalsContact C-N 3.34Å; E636-K638 PolarHBondContact O-N 3.45Å; E636-R639 PolarHBondContact O-N 2.79Å; E636-R639 IonicContact OE2-CZ 2.61Å; E636-R639 IonicContact OE2-NE 3.37Å; E636-R639 PolarHBondContact OE2-NE 3.23Å; E636-R639 IonicContact OE2-NH2 3.95Å; E636-R639 PolarHBondContact OE2-NH2 3.46Å; E636-R639 VanDerWaalsContact OE2-NH2 3.12Å; E636-L640 WeakPolarHBondContact O-CG 3.42Å; E636-L640 PolarHBondContact O-N 3.49Å; E636-V678 HydrophobicContact CB-CG1 3.63Å; E636-V678 HydrophobicContact CB-CG2 4.32Å; E636-V678 HydrophobicContact CG-CG1 3.83Å
637	A	90	Very high	89.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-46.5	174.3	0	0	0	0	0	110.9	L633 Q634 L640 H641 I659 L664	L633-A637 VanDerWaalsContact O-CB 3.3Å; L633-A637 WeakPolarHBondContact O-CB 3.39Å; L633-A637 PolarHBondContact O-N 3.34Å; Q634-A637 WeakPolarHBondContact O-CB 3.38Å; Q634-A637 PolarHBondContact O-N 3.38Å; A637-L640 PolarHBondContact O-N 3.38Å; A637-H641 WeakPolarHBondContact O-CB 3.36Å; A637-H641 PolarHBondContact O-N 3.43Å; A637-I659 HydrophobicContact CB-CG2 3.55Å; A637-L664 HydrophobicContact CB-CB 3.87Å; A637-L664 HydrophobicContact CB-CD1 4.42Å
638	K	89.7	Confident	88.7	Confident	121 Å²	121	60.2 Å²	60.2	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-46.5	176	-175.6	176.9	177.5	-178.4	0	111.3	Q634 R635 E636 L640 H641 D642	Q634-K638 WeakPolarHBondContact O-CB 3.28Å; Q634-K638 PolarHBondContact O-N 2.87Å; R635-K638 PolarHBondContact O-N 2.71Å; E636-K638 VanDerWaalsContact C-N 3.34Å; E636-K638 PolarHBondContact O-N 3.45Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-L640 PolarHBondContact O-N 3.11Å; K638-H641 WeakPolarHBondContact O-CB 3.24Å; K638-H641 PolarHBondContact O-N 2.97Å; K638-D642 WeakPolarHBondContact O-CB 3.11Å; K638-D642 VanDerWaalsContact O-CG 3.24Å; K638-D642 PolarHBondContact O-N 3.34Å
639	R	91.9	Very high	87.3	Confident	96 Å²	96	68 Å²	68	36%	0.362	32%	0.322	S	S	.	.	H	α-helix	trans	-55.9	-47.7	176.6	-169.4	-172.9	65.5	69.4	7.8	111.9	R635 E636 H641 D642 E643	R635-R639 PolarHBondContact O-N 3.45Å; E636-R639 PolarHBondContact O-N 2.79Å; E636-R639 IonicContact OE2-CZ 2.61Å; E636-R639 IonicContact OE2-NE 3.37Å; E636-R639 PolarHBondContact OE2-NE 3.23Å; E636-R639 IonicContact OE2-NH2 3.95Å; E636-R639 PolarHBondContact OE2-NH2 3.46Å; E636-R639 VanDerWaalsContact OE2-NH2 3.12Å; R639-H641 VanDerWaalsContact C-N 3.31Å; R639-H641 PolarHBondContact O-N 2.88Å; R639-D642 PolarHBondContact O-N 3.4Å; R639-E643 WeakPolarHBondContact CG-OE1 3.42Å; R639-E643 IonicContact CZ-OE1 2.89Å; R639-E643 IonicContact CZ-OE2 2.74Å; R639-E643 IonicContact NH1-OE1 3.12Å; R639-E643 PolarHBondContact NH1-OE1 2.94Å; R639-E643 IonicContact NH1-OE2 3.47Å; R639-E643 PolarHBondContact NH1-OE2 3.08Å; R639-E643 WeakPolarHBondContact O-CB 3.36Å; R639-E643 VanDerWaalsContact O-CG 3.31Å; R639-E643 WeakPolarHBondContact O-CG 3.45Å; R639-E643 PolarHBondContact O-N 2.86Å
640	L	89.8	Confident	85.9	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-31.1	176.8	-69.3	-179.8	0	0	0	112.8	E636 A637 K638 E644 L645 L646 L664 K674 V678	E636-L640 WeakPolarHBondContact O-CG 3.42Å; E636-L640 PolarHBondContact O-N 3.49Å; A637-L640 PolarHBondContact O-N 3.38Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-L640 PolarHBondContact O-N 3.11Å; L640-E644 PolarHBondContact O-N 3.14Å; L640-L645 HydrophobicContact CB-CB 4.49Å; L640-L645 HydrophobicContact CD2-CB 4.09Å; L640-L645 HydrophobicContact CD2-CD1 4.24Å; L640-L645 CarbonylContact O-C 3.57Å; L640-L645 WeakPolarHBondContact O-CA 3.48Å; L640-L645 PolarHBondContact O-N 3.35Å; L640-L646 HydrophobicContact CB-CB 4.03Å; L640-L646 HydrophobicContact CB-CD1 4.23Å; L640-L646 HydrophobicContact CD1-CD1 4.36Å; L640-L646 PolarHBondContact O-N 2.66Å; L640-L646 VanDerWaalsContact O-N 3.08Å; L640-L664 HydrophobicContact CD1-CD1 3.81Å; L640-K674 HydrophobicContact CD1-CB 4.27Å; L640-K674 HydrophobicContact CD2-CB 4.04Å; L640-V678 HydrophobicContact CD1-CG2 4.1Å
641	H	87.4	Confident	84.8	Confident	50 Å²	50	72.2 Å²	72.2	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-70	-46.2	175.8	-177.3	80.2	0	0	0	111.8	A637 K638 R639 E643 E644 L646 I659	A637-H641 WeakPolarHBondContact O-CB 3.36Å; A637-H641 PolarHBondContact O-N 3.43Å; K638-H641 WeakPolarHBondContact O-CB 3.24Å; K638-H641 PolarHBondContact O-N 2.97Å; R639-H641 VanDerWaalsContact C-N 3.31Å; R639-H641 PolarHBondContact O-N 2.88Å; H641-E643 PolarHBondContact O-N 3.28Å; H641-E644 WeakPolarHBondContact O-CA 3.38Å; H641-E644 PolarHBondContact O-N 2.93Å; H641-L646 HydrophobicContact CB-CB 4.23Å; H641-L646 HydrophobicContact CB-CD2 4Å; H641-I659 HydrophobicContact CB-CD1 4.3Å; H641-I659 HydrophobicContact CB-CG1 4.07Å
642	D	86.8	Confident	83.4	Confident	109 Å²	109	75 Å²	75	58%	0.583	38%	0.375	S	S	*	.	H	α-helix	trans	-64.4	-30	178.9	-64.6	-14.2	0	0	0	111.3	K638 R639 E644	K638-D642 WeakPolarHBondContact O-CB 3.11Å; K638-D642 VanDerWaalsContact O-CG 3.24Å; K638-D642 PolarHBondContact O-N 3.34Å; R639-D642 PolarHBondContact O-N 3.4Å; D642-E644 VanDerWaalsContact C-N 3.28Å
643	E	89.3	Confident	82	Confident	93 Å²	93	76.2 Å²	76.2	44%	0.435	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.9	172	-69.3	170.8	-168.3	0	0	113.7	R639 H641 L645	R639-E643 WeakPolarHBondContact CG-OE1 3.42Å; R639-E643 IonicContact CZ-OE1 2.89Å; R639-E643 IonicContact CZ-OE2 2.74Å; R639-E643 IonicContact NH1-OE1 3.12Å; R639-E643 PolarHBondContact NH1-OE1 2.94Å; R639-E643 IonicContact NH1-OE2 3.47Å; R639-E643 PolarHBondContact NH1-OE2 3.08Å; R639-E643 WeakPolarHBondContact O-CB 3.36Å; R639-E643 VanDerWaalsContact O-CG 3.31Å; R639-E643 WeakPolarHBondContact O-CG 3.45Å; R639-E643 PolarHBondContact O-N 2.86Å; H641-E643 PolarHBondContact O-N 3.28Å; E643-L645 HydrophobicContact CB-CD1 4.02Å; E643-L645 HydrophobicContact CB-CG 3.97Å; E643-L645 WeakPolarHBondContact O-CG 3.45Å; E643-L645 PolarHBondContact O-N 3.49Å; E643-L645 WeakPolarHBondContact OE2-CD1 3.42Å
644	E	84.9	Confident	80.3	Confident	162 Å²	162	82.8 Å²	82.8	76%	0.757	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	17.9	-175	-54.5	-171	155.6	0	0	115.2	L640 H641 D642	L640-E644 PolarHBondContact O-N 3.14Å; H641-E644 WeakPolarHBondContact O-CA 3.38Å; H641-E644 PolarHBondContact O-N 2.93Å; D642-E644 VanDerWaalsContact C-N 3.28Å
645	L	86.5	Confident	78.5	Confident	72 Å²	72	87.6 Å²	87.6	38%	0.377	44%	0.438	S	S	.	.			trans	-93.8	-5.4	-177.7	-62	179.8	0	0	0	114.2	L640 E643 N672	L640-L645 HydrophobicContact CB-CB 4.49Å; L640-L645 HydrophobicContact CD2-CB 4.09Å; L640-L645 HydrophobicContact CD2-CD1 4.24Å; L640-L645 CarbonylContact O-C 3.57Å; L640-L645 WeakPolarHBondContact O-CA 3.48Å; L640-L645 PolarHBondContact O-N 3.35Å; E643-L645 HydrophobicContact CB-CD1 4.02Å; E643-L645 HydrophobicContact CB-CG 3.97Å; E643-L645 WeakPolarHBondContact O-CG 3.45Å; E643-L645 PolarHBondContact O-N 3.49Å; E643-L645 WeakPolarHBondContact OE2-CD1 3.42Å; L645-N672 PolarHBondContact O-ND2 2.79Å
646	L	83.5	Confident	76.8	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.01	46%	0.457	C	S	.	.	S	Bend	trans	-91.4	-31.9	-177.2	-168.6	69.3	0	0	0	113.9	L640 H641 I659 H663 L664 A667	L640-L646 HydrophobicContact CB-CB 4.03Å; L640-L646 HydrophobicContact CB-CD1 4.23Å; L640-L646 HydrophobicContact CD1-CD1 4.36Å; L640-L646 PolarHBondContact O-N 2.66Å; L640-L646 VanDerWaalsContact O-N 3.08Å; H641-L646 HydrophobicContact CB-CB 4.23Å; H641-L646 HydrophobicContact CB-CD2 4Å; L646-I659 HydrophobicContact CD2-CG2 4.01Å; L646-H663 HydrophobicContact CD2-CB 4.43Å; L646-L664 HydrophobicContact CD1-CD1 3.91Å; L646-A667 HydrophobicContact CD1-CB 3.79Å; L646-A667 HydrophobicContact CG-CB 4.44Å
647	K	77.9	Confident	75.5	Confident	131 Å²	131	89.1 Å²	89.1	57%	0.57	47%	0.467	S	S	*	.			trans	-66.2	138.7	-173.1	-72.5	-178.9	-179	172	0	111.1
648	M	74.8	Confident	74.8	Confident	63 Å²	63	93.7 Å²	93.7	31%	0.31	50%	0.497	S	S	.	.			trans	-137.5	154.4	173.5	-60.2	-71.6	-72.3	0	0	108.8	G650 M651 K670 N672	M648-G650 PolarHBondContact O-N 2.8Å; M648-M651 HydrophobicContact CB-CE 3.85Å; M648-M651 HydrophobicContact CG-CE 3.86Å; M648-M651 WeakPolarHBondContact O-CB 3.4Å; M648-M651 PolarHBondContact O-N 2.88Å; M648-M651 VanDerWaalsContact O-N 3.14Å; M648-K670 HydrophobicContact CB-CB 4.48Å; M648-K670 HydrophobicContact CB-CD 4.48Å; M648-K670 VanDerWaalsContact CE-O 3.29Å; M648-K670 WeakPolarHBondContact CE-O 3.46Å; M648-N672 HydrophobicContact CE-CB 4.3Å; M648-N672 HydrophobicContact CG-CB 3.98Å; M648-N672 HydrophobicContact SD-CB 3.73Å
649	D	65.9	Low	74.6	Confident	163 Å²	163	88.8 Å²	88.8	87%	0.872	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	135.2	178.6	-70.6	-29.8	0	0	0	112.3	M651 K670	D649-M651 PolarHBondContact O-N 2.84Å; D649-K670 PolarHBondContact O-NZ 3.29Å
650	G	63.2	Low	74.2	Confident	75 Å²	75	86.5 Å²	86.5	77%	0.773	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	15.6	-177.1	0	0	0	0	0	115.5	M648 K670	M648-G650 PolarHBondContact O-N 2.8Å; G650-K670 PolarHBondContact O-NZ 2.88Å
651	M	68.5	Low	74	Confident	33 Å²	33	87 Å²	87	16%	0.163	48%	0.477	C	S	.	.			trans	-90.4	112.1	162.9	-75.6	-168.8	-161.2	0	0	110.8	M648 D649 V653 A667 K670	M648-M651 HydrophobicContact CB-CE 3.85Å; M648-M651 HydrophobicContact CG-CE 3.86Å; M648-M651 WeakPolarHBondContact O-CB 3.4Å; M648-M651 PolarHBondContact O-N 2.88Å; M648-M651 VanDerWaalsContact O-N 3.14Å; D649-M651 PolarHBondContact O-N 2.84Å; M651-V653 HydrophobicContact CB-CG2 4.42Å; M651-V653 PolarHBondContact O-N 2.97Å; M651-V653 VanDerWaalsContact O-N 3.12Å; M651-A667 HydrophobicContact CE-CB 3.38Å; M651-K670 HydrophobicContact CE-CD 4.06Å; M651-K670 HydrophobicContact CG-CD 4.16Å
652	D	59.1	Low	73.9	Confident	152 Å²	152	87.9 Å²	87.9	81%	0.813	49%	0.493	S	S	*	.			trans	-80.3	85.5	164.8	-82.9	-29.7	0	0	0	109.5	K654	D652-K654 PolarHBondContact O-N 3.09Å
653	V	62.1	Low	73.9	Confident	30 Å²	30	84.5 Å²	84.5	18%	0.182	47%	0.474	C	S	.	.			trans	-88.3	96	161.1	-174.6	0	0	0	0	106.5	M651 L655 I659	M651-V653 HydrophobicContact CB-CG2 4.42Å; M651-V653 PolarHBondContact O-N 2.97Å; M651-V653 VanDerWaalsContact O-N 3.12Å; V653-L655 PolarHBondContact O-N 3.36Å; V653-I659 HydrophobicContact CG1-CD1 3.71Å
654	K	58.6	Low	73.9	Confident	137 Å²	137	80 Å²	80	60%	0.596	45%	0.453	S	S	*	.			trans	-59.9	134.5	173.4	-68.5	-179.4	-174.8	166.9	0	108.5	D652 A656 E657	D652-K654 PolarHBondContact O-N 3.09Å; K654-A656 PolarHBondContact O-N 2.99Å; K654-E657 HydrophobicContact CB-CG 4.34Å; K654-E657 PolarHBondContact O-N 3.22Å
655	L	55	Low	74.1	Confident	184 Å²	184	73.3 Å²	73.3	96%	0.963	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.2	-175.4	-123.3	98.1	0	0	0	114.6	V653	V653-L655 PolarHBondContact O-N 3.36Å
656	A	54.7	Low	74.1	Confident	100 Å²	100	72.1 Å²	72.1	83%	0.826	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.3	-176.8	0	0	0	0	0	114.8	K654	K654-A656 PolarHBondContact O-N 2.99Å
657	E	67.1	Low	74.3	Confident	97 Å²	97	72 Å²	72	45%	0.453	42%	0.419	S	S	.	.	S	Bend	trans	-96.9	137.4	-177.8	-72	-179	-165.1	0	0	112.2	K654	K654-E657 HydrophobicContact CB-CG 4.34Å; K654-E657 PolarHBondContact O-N 3.22Å
658	P	75.1	Confident	74.8	Confident	96 Å²	96	66.2 Å²	66.2	62%	0.623	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-68.3	137.1	178.9	27	-32.8	0	0	0	111.6	T660	P658-T660 WeakPolarHBondContact O-CG2 3.46Å
659	I	83.9	Confident	75.4	Confident	18 Å²	18	72.8 Å²	72.8	9%	0.092	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-65.4	134.9	173.7	-56.3	-61.9	0	0	0	109.8	Q634 A637 H641 L646 V653 H663	Q634-I659 WeakPolarHBondContact CG-O 3.28Å; Q634-I659 PolarHBondContact NE2-O 3.09Å; A637-I659 HydrophobicContact CB-CG2 3.55Å; H641-I659 HydrophobicContact CB-CD1 4.3Å; H641-I659 HydrophobicContact CB-CG1 4.07Å; L646-I659 HydrophobicContact CD2-CG2 4.01Å; V653-I659 HydrophobicContact CG1-CD1 3.71Å; I659-H663 HydrophobicContact CG2-CB 4.49Å
660	T	84.8	Confident	76.4	Confident	47 Å²	47	69.1 Å²	69.1	29%	0.288	39%	0.393	S	S	.	.			trans	-130.6	166.9	-175.7	68.6	0	0	0	0	111.7	P658 A662 H663	P658-T660 WeakPolarHBondContact O-CG2 3.46Å; T660-A662 PolarHBondContact O-N 3.45Å; T660-A662 PolarHBondContact OG1-N 3Å; T660-H663 PolarHBondContact N-ND1 3.01Å; T660-H663 VanDerWaalsContact N-ND1 3.16Å; T660-H663 WeakPolarHBondContact O-CB 3.33Å; T660-H663 PolarHBondContact O-N 2.89Å; T660-H663 VanDerWaalsContact O-N 3.09Å; T660-H663 PolarHBondContact OG1-ND1 3.14Å
661	A	84.8	Confident	77.6	Confident	13 Å²	13	68.1 Å²	68.1	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-56.9	-30.1	172.9	0	0	0	0	0	113.2	L633 H663 L664 I665	L633-A661 HydrophobicContact CB-CB 3.71Å; L633-A661 HydrophobicContact CD1-CB 4.24Å; A661-H663 VanDerWaalsContact C-N 3.32Å; A661-H663 PolarHBondContact O-N 2.98Å; A661-L664 WeakPolarHBondContact O-CB 3.42Å; A661-L664 PolarHBondContact O-N 2.84Å; A661-I665 WeakPolarHBondContact O-CG1 3.18Å; A661-I665 PolarHBondContact O-N 2.83Å
662	A	85.6	Confident	78.7	Confident	68 Å²	68	67.1 Å²	67.1	56%	0.562	38%	0.378	S	S	*	.	H	α-helix	trans	-64.2	-36.1	176.9	0	0	0	0	0	112.4	T660 L664 I665 S666	T660-A662 PolarHBondContact O-N 3.45Å; T660-A662 PolarHBondContact OG1-N 3Å; A662-L664 VanDerWaalsContact C-N 3.34Å; A662-I665 PolarHBondContact O-N 3.04Å; A662-S666 WeakPolarHBondContact O-CB 3.3Å; A662-S666 PolarHBondContact O-N 2.82Å
663	H	87.1	Confident	80.2	Confident	38 Å²	38	64 Å²	64	18%	0.176	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-40.8	175	-65.5	97.1	0	0	0	111.4	L646 I659 T660 A661 S666 A667	L646-H663 HydrophobicContact CD2-CB 4.43Å; I659-H663 HydrophobicContact CG2-CB 4.49Å; T660-H663 PolarHBondContact N-ND1 3.01Å; T660-H663 VanDerWaalsContact N-ND1 3.16Å; T660-H663 WeakPolarHBondContact O-CB 3.33Å; T660-H663 PolarHBondContact O-N 2.89Å; T660-H663 VanDerWaalsContact O-N 3.09Å; T660-H663 PolarHBondContact OG1-ND1 3.14Å; A661-H663 VanDerWaalsContact C-N 3.32Å; A661-H663 PolarHBondContact O-N 2.98Å; H663-S666 PolarHBondContact O-N 3.44Å; H663-A667 WeakPolarHBondContact O-CB 3.49Å; H663-A667 PolarHBondContact O-N 3.43Å
664	L	88.6	Confident	81.6	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-45.1	175.5	-173.4	69.8	0	0	0	112.1	L633 A637 L640 L646 A661 A662 A667 A668 A675 V678 L679	L633-L664 HydrophobicContact CB-CD2 4.14Å; L633-L664 HydrophobicContact CD2-CD2 4.09Å; A637-L664 HydrophobicContact CB-CB 3.87Å; A637-L664 HydrophobicContact CB-CD1 4.42Å; L640-L664 HydrophobicContact CD1-CD1 3.81Å; L646-L664 HydrophobicContact CD1-CD1 3.91Å; A661-L664 WeakPolarHBondContact O-CB 3.42Å; A661-L664 PolarHBondContact O-N 2.84Å; A662-L664 VanDerWaalsContact C-N 3.34Å; L664-A667 PolarHBondContact O-N 3.33Å; L664-A668 WeakPolarHBondContact O-CB 3.4Å; L664-A668 PolarHBondContact O-N 3.28Å; L664-A675 HydrophobicContact CD1-CB 3.73Å; L664-A675 HydrophobicContact CG-CB 4.47Å; L664-V678 HydrophobicContact CD2-CB 4.47Å; L664-V678 HydrophobicContact CD2-CG1 3.79Å; L664-L679 HydrophobicContact CD2-CD2 3.78Å; L664-L679 HydrophobicContact CD2-CG 4.22Å; L664-L679 HydrophobicContact CG-CD2 4.16Å; L664-L679 HydrophobicContact CG-CG 4.25Å
665	I	88.6	Confident	83.2	Confident	20 Å²	20	61.4 Å²	61.4	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-40.9	177	-64.5	167.2	0	0	0	110.9	A661 A662 A667 A668 R669 L679 L708 Y711	A661-I665 WeakPolarHBondContact O-CG1 3.18Å; A661-I665 PolarHBondContact O-N 2.83Å; A662-I665 PolarHBondContact O-N 3.04Å; I665-A667 VanDerWaalsContact C-N 3.35Å; I665-A668 PolarHBondContact O-N 2.84Å; I665-R669 WeakPolarHBondContact O-CG 3.14Å; I665-R669 PolarHBondContact O-N 3.38Å; I665-L679 HydrophobicContact CG1-CD1 4.16Å; I665-L679 HydrophobicContact CG1-CD2 4.06Å; I665-L708 HydrophobicContact CD1-CD2 3.93Å; I665-Y711 HydrophobicContact CD1-CG 4.45Å; I665-Y711 HydrophobicContact CG1-CD2 4.44Å; I665-Y711 HydrophobicContact CG2-CD2 4.13Å
666	S	87.1	Confident	85	Confident	48 Å²	48	55.9 Å²	55.9	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174.9	-172	0	0	0	0	111.6	A662 H663 R669 K670	A662-S666 WeakPolarHBondContact O-CB 3.3Å; A662-S666 PolarHBondContact O-N 2.82Å; H663-S666 PolarHBondContact O-N 3.44Å; S666-R669 PolarHBondContact O-N 2.98Å; S666-K670 WeakPolarHBondContact O-CG 3.43Å; S666-K670 PolarHBondContact O-N 3.48Å
667	A	87.3	Confident	86.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-46.9	176.4	0	0	0	0	0	112.8	L646 M651 H663 L664 I665 R669 K670 G671 N672 A675	L646-A667 HydrophobicContact CD1-CB 3.79Å; L646-A667 HydrophobicContact CG-CB 4.44Å; M651-A667 HydrophobicContact CE-CB 3.38Å; H663-A667 WeakPolarHBondContact O-CB 3.49Å; H663-A667 PolarHBondContact O-N 3.43Å; L664-A667 PolarHBondContact O-N 3.33Å; I665-A667 VanDerWaalsContact C-N 3.35Å; A667-R669 PolarHBondContact O-N 3.23Å; A667-K670 CarbonylContact O-C 3.6Å; A667-K670 PolarHBondContact O-N 3.08Å; A667-G671 PolarHBondContact O-N 3.21Å; A667-N672 HydrophobicContact CB-CB 3.98Å; A667-N672 WeakPolarHBondContact O-CB 3.26Å; A667-N672 PolarHBondContact O-N 2.97Å; A667-A675 HydrophobicContact CB-CB 3.78Å
668	A	88.6	Confident	88.2	Confident	8 Å²	8	50.3 Å²	50.3	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-46.6	174.4	0	0	0	0	0	112.4	L664 I665 K670 G671 A675 N676 L679	L664-A668 WeakPolarHBondContact O-CB 3.4Å; L664-A668 PolarHBondContact O-N 3.28Å; I665-A668 PolarHBondContact O-N 2.84Å; A668-K670 VanDerWaalsContact C-N 3.25Å; A668-K670 PolarHBondContact O-N 3.46Å; A668-G671 PolarHBondContact O-N 3.21Å; A668-A675 HydrophobicContact CB-CB 4.11Å; A668-N676 WeakPolarHBondContact CA-OD1 3.35Å; A668-N676 WeakPolarHBondContact CB-OD1 3.28Å; A668-N676 PolarHBondContact O-ND2 3.24Å; A668-N676 PolarHBondContact O-OD1 3.49Å; A668-L679 HydrophobicContact CB-CD1 3.31Å
669	R	87.9	Confident	89.1	Confident	202 Å²	202	45.8 Å²	45.8	76%	0.762	27%	0.265	S	S	*	.	H	α-helix	trans	-61.7	-31.3	176.9	-75.2	177.1	179.2	173.7	0.6	113.3	I665 S666 A667 G671	I665-R669 WeakPolarHBondContact O-CG 3.14Å; I665-R669 PolarHBondContact O-N 3.38Å; S666-R669 PolarHBondContact O-N 2.98Å; A667-R669 PolarHBondContact O-N 3.23Å; R669-G671 PolarHBondContact O-N 3.12Å
670	K	87.6	Confident	89.6	Confident	86 Å²	86	51.1 Å²	51.1	37%	0.374	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6.2	174.7	-70.3	-175.4	172	-163.8	0	113.9	M648 D649 G650 M651 S666 A667 A668	M648-K670 HydrophobicContact CB-CB 4.48Å; M648-K670 HydrophobicContact CB-CD 4.48Å; M648-K670 VanDerWaalsContact CE-O 3.29Å; M648-K670 WeakPolarHBondContact CE-O 3.46Å; D649-K670 PolarHBondContact O-NZ 3.29Å; G650-K670 PolarHBondContact O-NZ 2.88Å; M651-K670 HydrophobicContact CE-CD 4.06Å; M651-K670 HydrophobicContact CG-CD 4.16Å; S666-K670 WeakPolarHBondContact O-CG 3.43Å; S666-K670 PolarHBondContact O-N 3.48Å; A667-K670 CarbonylContact O-C 3.6Å; A667-K670 PolarHBondContact O-N 3.08Å; A668-K670 VanDerWaalsContact C-N 3.25Å; A668-K670 PolarHBondContact O-N 3.46Å
671	G	87.7	Confident	90.1	Very high	53 Å²	53	54.8 Å²	54.8	55%	0.546	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	10.7	174.4	0	0	0	0	0	115.4	A667 A668 R669 S673	A667-G671 PolarHBondContact O-N 3.21Å; A668-G671 PolarHBondContact O-N 3.21Å; R669-G671 PolarHBondContact O-N 3.12Å; G671-S673 PolarHBondContact O-N 2.9Å; G671-S673 VanDerWaalsContact O-N 3.1Å
672	N	91	Very high	90.6	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.064	30%	0.296	C	S	.	.			trans	-65.8	112.3	175.5	-173.4	-59.2	0	0	0	110.6	L645 M648 A667 K674 A675 N676	L645-N672 PolarHBondContact O-ND2 2.79Å; M648-N672 HydrophobicContact CE-CB 4.3Å; M648-N672 HydrophobicContact CG-CB 3.98Å; M648-N672 HydrophobicContact SD-CB 3.73Å; A667-N672 HydrophobicContact CB-CB 3.98Å; A667-N672 WeakPolarHBondContact O-CB 3.26Å; A667-N672 PolarHBondContact O-N 2.97Å; N672-K674 VanDerWaalsContact C-N 3.34Å; N672-K674 PolarHBondContact O-N 3.16Å; N672-K674 PolarHBondContact OD1-N 2.94Å; N672-A675 HydrophobicContact CB-CB 3.94Å; N672-A675 PolarHBondContact O-N 3.23Å; N672-A675 PolarHBondContact OD1-N 3.43Å; N672-N676 WeakPolarHBondContact O-CB 3.5Å; N672-N676 PolarHBondContact O-N 2.86Å; N672-N676 PolarHBondContact O-ND2 3.05Å
673	S	91.4	Very high	91.1	Very high	88 Å²	88	51.2 Å²	51.2	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-66.6	-32.3	-174.7	61.4	0	0	0	0	113.5	G671 A677	G671-S673 PolarHBondContact O-N 2.9Å; G671-S673 VanDerWaalsContact O-N 3.1Å; S673-A677 WeakPolarHBondContact O-CB 3.37Å; S673-A677 PolarHBondContact O-N 3.07Å
674	K	92.2	Very high	91.6	Very high	112 Å²	112	51.9 Å²	51.9	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-72.4	-44.2	177.5	-63.5	-65.2	-174.9	177	0	111.4	L640 N672 N676 A677 V678	L640-K674 HydrophobicContact CD1-CB 4.27Å; L640-K674 HydrophobicContact CD2-CB 4.04Å; N672-K674 VanDerWaalsContact C-N 3.34Å; N672-K674 PolarHBondContact O-N 3.16Å; N672-K674 PolarHBondContact OD1-N 2.94Å; K674-N676 VanDerWaalsContact C-N 3.33Å; K674-N676 PolarHBondContact O-N 3.37Å; K674-A677 PolarHBondContact O-N 3.41Å; K674-V678 WeakPolarHBondContact O-CG2 3.44Å; K674-V678 PolarHBondContact O-N 3.21Å
675	A	91.5	Very high	92	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-42.9	173.7	0	0	0	0	0	111.4	L664 A667 A668 N672 A677 V678 L679	L664-A675 HydrophobicContact CD1-CB 3.73Å; L664-A675 HydrophobicContact CG-CB 4.47Å; A667-A675 HydrophobicContact CB-CB 3.78Å; A668-A675 HydrophobicContact CB-CB 4.11Å; N672-A675 HydrophobicContact CB-CB 3.94Å; N672-A675 PolarHBondContact O-N 3.23Å; N672-A675 PolarHBondContact OD1-N 3.43Å; A675-A677 VanDerWaalsContact C-N 3.35Å; A675-A677 PolarHBondContact O-N 3.06Å; A675-V678 PolarHBondContact O-N 3.09Å; A675-L679 WeakPolarHBondContact O-CG 3.48Å; A675-L679 PolarHBondContact O-N 3.07Å
676	N	92.1	Very high	92.5	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-43	173.5	-84.2	-35.5	0	0	0	112.3	A668 N672 K674 V678 L679 H680	A668-N676 WeakPolarHBondContact CA-OD1 3.35Å; A668-N676 WeakPolarHBondContact CB-OD1 3.28Å; A668-N676 PolarHBondContact O-ND2 3.24Å; A668-N676 PolarHBondContact O-OD1 3.49Å; N672-N676 WeakPolarHBondContact O-CB 3.5Å; N672-N676 PolarHBondContact O-N 2.86Å; N672-N676 PolarHBondContact O-ND2 3.05Å; K674-N676 VanDerWaalsContact C-N 3.33Å; K674-N676 PolarHBondContact O-N 3.37Å; N676-V678 PolarHBondContact O-N 3.14Å; N676-L679 PolarHBondContact O-N 3.45Å; N676-H680 VanDerWaalsContact O-CB 3.24Å; N676-H680 WeakPolarHBondContact O-CB 3.42Å; N676-H680 PolarHBondContact O-N 3.26Å
677	A	93.8	Very high	93	Very high	58 Å²	58	49 Å²	49	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.8	0	0	0	0	0	112.5	S673 K674 A675 K681	S673-A677 WeakPolarHBondContact O-CB 3.37Å; S673-A677 PolarHBondContact O-N 3.07Å; K674-A677 PolarHBondContact O-N 3.41Å; A675-A677 VanDerWaalsContact C-N 3.35Å; A675-A677 PolarHBondContact O-N 3.06Å; A677-K681 WeakPolarHBondContact O-CB 3.43Å; A677-K681 PolarHBondContact O-N 3.06Å
678	V	94.6	Very high	93.5	Very high	22 Å²	22	50.6 Å²	50.6	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-50.6	175.5	171.8	0	0	0	0	110.6	L633 E636 L640 L664 K674 A675 N676 H680 K681 A682	L633-V678 HydrophobicContact CD2-CG1 4.46Å; E636-V678 HydrophobicContact CB-CG1 3.63Å; E636-V678 HydrophobicContact CB-CG2 4.32Å; E636-V678 HydrophobicContact CG-CG1 3.83Å; L640-V678 HydrophobicContact CD1-CG2 4.1Å; L664-V678 HydrophobicContact CD2-CB 4.47Å; L664-V678 HydrophobicContact CD2-CG1 3.79Å; K674-V678 WeakPolarHBondContact O-CG2 3.44Å; K674-V678 PolarHBondContact O-N 3.21Å; A675-V678 PolarHBondContact O-N 3.09Å; N676-V678 PolarHBondContact O-N 3.14Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 3.12Å; V678-K681 WeakPolarHBondContact O-CB 3.31Å; V678-K681 PolarHBondContact O-N 2.48Å; V678-A682 PolarHBondContact O-N 3.15Å
679	L	94	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.8	-34.3	-177.5	-63	171.3	0	0	0	112.6	L633 L664 I665 A668 A675 N676 K681 A682 S683 Y711	L633-L679 HydrophobicContact CD1-CD2 4Å; L633-L679 HydrophobicContact CD2-CD2 3.94Å; L664-L679 HydrophobicContact CD2-CD2 3.78Å; L664-L679 HydrophobicContact CD2-CG 4.22Å; L664-L679 HydrophobicContact CG-CD2 4.16Å; L664-L679 HydrophobicContact CG-CG 4.25Å; I665-L679 HydrophobicContact CG1-CD1 4.16Å; I665-L679 HydrophobicContact CG1-CD2 4.06Å; A668-L679 HydrophobicContact CB-CD1 3.31Å; A675-L679 WeakPolarHBondContact O-CG 3.48Å; A675-L679 PolarHBondContact O-N 3.07Å; N676-L679 PolarHBondContact O-N 3.45Å; L679-K681 VanDerWaalsContact C-N 3.34Å; L679-A682 WeakPolarHBondContact O-CB 3.47Å; L679-A682 PolarHBondContact O-N 2.85Å; L679-S683 WeakPolarHBondContact O-CB 3.35Å; L679-S683 PolarHBondContact O-N 3.45Å; L679-S683 PolarHBondContact O-OG 2.92Å; L679-S683 VanDerWaalsContact O-OG 3.13Å; L679-Y711 HydrophobicContact CB-CE1 3.89Å; L679-Y711 WeakPolarHBondContact CB-OH 3.38Å; L679-Y711 HydrophobicContact CD1-CE1 4.41Å; L679-Y711 HydrophobicContact CD1-CE2 3.96Å; L679-Y711 HydrophobicContact CD2-CE1 4.1Å; L679-Y711 HydrophobicContact CG-CE1 4.37Å
680	H	94.8	Very high	94.4	Very high	130 Å²	130	40.7 Å²	40.7	60%	0.602	23%	0.228	S	C	*	.	H	α-helix	trans	-60.6	-44.5	171.9	179.1	-89.5	0	0	0	111	N676 V678 A682 S683 L684	N676-H680 VanDerWaalsContact O-CB 3.24Å; N676-H680 WeakPolarHBondContact O-CB 3.42Å; N676-H680 PolarHBondContact O-N 3.26Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 3.12Å; H680-A682 VanDerWaalsContact C-N 3.31Å; H680-A682 PolarHBondContact O-N 2.91Å; H680-S683 PolarHBondContact O-N 3.41Å; H680-L684 WeakPolarHBondContact O-CB 3.39Å; H680-L684 PolarHBondContact O-N 3.33Å
681	K	95.5	Very high	94.9	Very high	125 Å²	125	37 Å²	37	54%	0.543	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-41.1	175.4	-165.9	-179.1	-170	-172.1	0	111.6	F627 A677 V678 L679 A685	F627-K681 HydrophobicContact CD1-CD 4.31Å; F627-K681 HydrophobicContact CD1-CG 4.31Å; F627-K681 HydrophobicContact CE1-CD 4.19Å; F627-K681 HydrophobicContact CE1-CG 4.43Å; A677-K681 WeakPolarHBondContact O-CB 3.43Å; A677-K681 PolarHBondContact O-N 3.06Å; V678-K681 WeakPolarHBondContact O-CB 3.31Å; V678-K681 PolarHBondContact O-N 2.48Å; L679-K681 VanDerWaalsContact C-N 3.34Å; K681-A685 WeakPolarHBondContact O-CB 3.41Å; K681-A685 PolarHBondContact O-N 2.85Å
682	A	96.3	Very high	95.3	Very high	1 Å²	1	37 Å²	37	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-46.7	176.6	0	0	0	0	0	112.3	F627 A628 L633 V678 L679 H680 L684 A685 L686 Y712	F627-A682 WeakPolarHBondContact O-CB 3.32Å; A628-A682 HydrophobicContact CB-CB 4.16Å; L633-A682 HydrophobicContact CD2-CB 3.86Å; V678-A682 PolarHBondContact O-N 3.15Å; L679-A682 WeakPolarHBondContact O-CB 3.47Å; L679-A682 PolarHBondContact O-N 2.85Å; H680-A682 VanDerWaalsContact C-N 3.31Å; H680-A682 PolarHBondContact O-N 2.91Å; A682-L684 VanDerWaalsContact C-N 3.34Å; A682-L684 PolarHBondContact O-N 3.49Å; A682-A685 PolarHBondContact O-N 3.02Å; A682-L686 PolarHBondContact O-N 3.38Å; A682-Y712 HydrophobicContact CB-CE1 4.16Å; A682-Y712 WeakPolarHBondContact CB-OH 3.43Å
683	S	96.3	Very high	95.6	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-40.6	176.4	-67.6	0	0	0	0	112.3	L679 H680 G687 Y712 P715	L679-S683 WeakPolarHBondContact O-CB 3.35Å; L679-S683 PolarHBondContact O-N 3.45Å; L679-S683 PolarHBondContact O-OG 2.92Å; L679-S683 VanDerWaalsContact O-OG 3.13Å; H680-S683 PolarHBondContact O-N 3.41Å; S683-G687 PolarHBondContact O-N 2.81Å; S683-Y712 WeakPolarHBondContact OG-CD1 3.44Å; S683-P715 WeakPolarHBondContact OG-CB 3.28Å
684	L	97.1	Very high	95.8	Very high	51 Å²	51	32.7 Å²	32.7	27%	0.267	17%	0.17	S	C	.	.	H	α-helix	trans	-63.6	-45.8	175.1	179.8	62.6	0	0	0	111.3	H680 A682 G687 V688 V719	H680-L684 WeakPolarHBondContact O-CB 3.39Å; H680-L684 PolarHBondContact O-N 3.33Å; A682-L684 VanDerWaalsContact C-N 3.34Å; A682-L684 PolarHBondContact O-N 3.49Å; L684-G687 PolarHBondContact O-N 3.45Å; L684-V688 HydrophobicContact CD1-CG2 4.07Å; L684-V688 HydrophobicContact CG-CG2 4.46Å; L684-V688 WeakPolarHBondContact O-CB 3.33Å; L684-V688 VanDerWaalsContact O-CG2 3.27Å; L684-V688 WeakPolarHBondContact O-CG2 3.45Å; L684-V688 PolarHBondContact O-N 2.95Å; L684-V719 HydrophobicContact CD1-CG1 4.21Å; L684-V719 HydrophobicContact CD1-CG2 4.14Å
685	A	97.4	Very high	96	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-47.6	178	0	0	0	0	0	111.8	V609 F627 K681 A682 G689	V609-A685 HydrophobicContact CG2-CB 3.89Å; F627-A685 HydrophobicContact CB-CB 3.55Å; F627-A685 HydrophobicContact CD1-CB 4.49Å; F627-A685 HydrophobicContact CD2-CB 3.76Å; F627-A685 HydrophobicContact CG-CB 3.71Å; K681-A685 WeakPolarHBondContact O-CB 3.41Å; K681-A685 PolarHBondContact O-N 2.85Å; A682-A685 PolarHBondContact O-N 3.02Å; A685-G689 PolarHBondContact O-N 3.07Å
686	L	97.8	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-43.3	176.7	-178.5	60.5	0	0	0	112.1	V577 T579 I583 I624 A628 A682 G689 I690 Y712 V716	V577-L686 HydrophobicContact CG1-CD1 4.24Å; T579-L686 HydrophobicContact CG2-CD2 4.34Å; I583-L686 HydrophobicContact CD1-CD1 4.48Å; I624-L686 HydrophobicContact CG2-CB 4.13Å; I624-L686 HydrophobicContact CG2-CD1 3.72Å; A628-L686 HydrophobicContact CB-CB 4.07Å; A682-L686 PolarHBondContact O-N 3.38Å; L686-G689 WeakPolarHBondContact O-CA 3.49Å; L686-G689 PolarHBondContact O-N 3.32Å; L686-I690 HydrophobicContact CD1-CD1 4.19Å; L686-I690 HydrophobicContact CG-CD1 4.11Å; L686-I690 WeakPolarHBondContact O-CG1 3.41Å; L686-I690 PolarHBondContact O-N 3.25Å; L686-Y712 HydrophobicContact CD2-CD1 3.85Å; L686-Y712 HydrophobicContact CD2-CD2 3.62Å; L686-Y712 HydrophobicContact CD2-CE1 4.39Å; L686-Y712 HydrophobicContact CD2-CE2 4.16Å; L686-Y712 HydrophobicContact CD2-CG 3.45Å; L686-Y712 VanDerWaalsContact CD2-CG 3.45Å; L686-V716 HydrophobicContact CB-CG2 4.32Å; L686-V716 HydrophobicContact CD2-CG2 3.89Å; L686-V716 HydrophobicContact CG-CG2 3.9Å
687	G	97.5	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-45.3	177.5	0	0	0	0	0	112.9	S683 L684 G689 I690 V691	S683-G687 PolarHBondContact O-N 2.81Å; L684-G687 PolarHBondContact O-N 3.45Å; G687-G689 VanDerWaalsContact C-N 3.29Å; G687-G689 PolarHBondContact O-N 3.32Å; G687-I690 PolarHBondContact O-N 3.48Å; G687-V691 WeakPolarHBondContact O-CG2 3.43Å; G687-V691 PolarHBondContact O-N 2.89Å
688	V	97.8	Very high	96.4	Very high	32 Å²	32	38.6 Å²	38.6	19%	0.194	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-40.3	174.1	169.6	0	0	0	0	110.9	V609 L684 I690 V691 N692 V719	V609-V688 HydrophobicContact CB-CG1 4.09Å; V609-V688 HydrophobicContact CG1-CB 4.34Å; V609-V688 HydrophobicContact CG1-CG1 3.95Å; L684-V688 HydrophobicContact CD1-CG2 4.07Å; L684-V688 HydrophobicContact CG-CG2 4.46Å; L684-V688 WeakPolarHBondContact O-CB 3.33Å; L684-V688 VanDerWaalsContact O-CG2 3.27Å; L684-V688 WeakPolarHBondContact O-CG2 3.45Å; L684-V688 PolarHBondContact O-N 2.95Å; V688-I690 VanDerWaalsContact C-N 3.34Å; V688-I690 PolarHBondContact O-N 2.78Å; V688-V691 WeakPolarHBondContact O-CB 3.37Å; V688-V691 PolarHBondContact O-N 3.41Å; V688-N692 PolarHBondContact O-N 2.98Å; V688-V719 HydrophobicContact CG2-CG1 4.35Å
689	G	97.6	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-46.8	172.9	0	0	0	0	0	113.4	A685 L686 G687 N692 I693	A685-G689 PolarHBondContact O-N 3.07Å; L686-G689 WeakPolarHBondContact O-CA 3.49Å; L686-G689 PolarHBondContact O-N 3.32Å; G687-G689 VanDerWaalsContact C-N 3.29Å; G687-G689 PolarHBondContact O-N 3.32Å; G689-N692 WeakPolarHBondContact O-CB 3.38Å; G689-N692 PolarHBondContact O-N 2.8Å; G689-I693 WeakPolarHBondContact O-CG1 3.42Å; G689-I693 PolarHBondContact O-N 3.47Å; G689-I693 VanDerWaalsContact O-N 3.14Å
690	I	97.7	Very high	96.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-40.8	176.6	-71.1	166.6	0	0	0	110.7	L686 G687 V688 N692 I693 L694 V702 L704 V716 M720	L686-I690 HydrophobicContact CD1-CD1 4.19Å; L686-I690 HydrophobicContact CG-CD1 4.11Å; L686-I690 WeakPolarHBondContact O-CG1 3.41Å; L686-I690 PolarHBondContact O-N 3.25Å; G687-I690 PolarHBondContact O-N 3.48Å; V688-I690 VanDerWaalsContact C-N 3.34Å; V688-I690 PolarHBondContact O-N 2.78Å; I690-N692 VanDerWaalsContact C-N 3.29Å; I690-N692 PolarHBondContact O-N 2.91Å; I690-I693 CarbonylContact O-C 3.59Å; I690-I693 WeakPolarHBondContact O-CA 3.48Å; I690-I693 WeakPolarHBondContact O-CB 3.25Å; I690-I693 PolarHBondContact O-N 2.88Å; I690-L694 HydrophobicContact CG2-CG 4.31Å; I690-L694 WeakPolarHBondContact O-CG 3.13Å; I690-L694 PolarHBondContact O-N 2.74Å; I690-V702 HydrophobicContact CD1-CG1 4.3Å; I690-V702 HydrophobicContact CG2-CG1 4.26Å; I690-V702 HydrophobicContact CG2-CG2 4.21Å; I690-L704 HydrophobicContact CD1-CD2 3.89Å; I690-V716 HydrophobicContact CB-CG1 4.36Å; I690-V716 HydrophobicContact CD1-CB 4.45Å; I690-V716 HydrophobicContact CD1-CG1 3.36Å; I690-V716 HydrophobicContact CD1-CG2 4.25Å; I690-V716 HydrophobicContact CG1-CG1 4.43Å; I690-V716 HydrophobicContact CG2-CG1 4.4Å; I690-M720 HydrophobicContact CG2-CG 4.21Å; I690-M720 HydrophobicContact CG2-SD 3.6Å
691	V	97.9	Very high	96.7	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.048	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-43.2	173.4	170.8	0	0	0	0	111.7	G687 V688 I693 L694 H695 M720 R723 A724	G687-V691 WeakPolarHBondContact O-CG2 3.43Å; G687-V691 PolarHBondContact O-N 2.89Å; V688-V691 WeakPolarHBondContact O-CB 3.37Å; V688-V691 PolarHBondContact O-N 3.41Å; V691-I693 VanDerWaalsContact C-N 3.32Å; V691-I693 PolarHBondContact O-N 3.35Å; V691-L694 WeakPolarHBondContact O-CB 3.45Å; V691-L694 PolarHBondContact O-N 3.12Å; V691-H695 VanDerWaalsContact CG1-CE1 3.43Å; V691-H695 WeakPolarHBondContact CG1-CE1 3.4Å; V691-H695 PolarHBondContact O-CD2 3.46Å; V691-H695 PolarHBondContact O-N 3.21Å; V691-H695 VanDerWaalsContact O-N 3.08Å; V691-M720 HydrophobicContact CG2-CG 4.14Å; V691-R723 HydrophobicContact CG2-CB 4.29Å; V691-A724 HydrophobicContact CG1-CB 4.39Å; V691-A724 HydrophobicContact CG2-CB 4.27Å
692	N	97.5	Very high	96.8	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-59.7	-43.4	174.6	-65.3	-18.9	0	0	0	111.4	I607 V688 G689 I690 L694 H695 I696	I607-N692 HydrophobicContact CG2-CB 4.48Å; V688-N692 PolarHBondContact O-N 2.98Å; G689-N692 WeakPolarHBondContact O-CB 3.38Å; G689-N692 PolarHBondContact O-N 2.8Å; I690-N692 VanDerWaalsContact C-N 3.29Å; I690-N692 PolarHBondContact O-N 2.91Å; N692-L694 VanDerWaalsContact C-N 3.35Å; N692-L694 PolarHBondContact O-N 2.84Å; N692-H695 PolarHBondContact O-N 3.28Å; N692-I696 WeakPolarHBondContact O-CD1 3.25Å; N692-I696 VanDerWaalsContact O-CG1 3.25Å; N692-I696 WeakPolarHBondContact O-CG1 3.42Å; N692-I696 PolarHBondContact O-N 2.97Å; N692-I696 VanDerWaalsContact O-N 3.12Å
693	I	96.6	Very high	96.9	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-42.1	176.8	-64.7	162.6	0	0	0	111	V575 L604 I607 G689 I690 V691 H695 I696 V697	V575-I693 HydrophobicContact CB-CG2 4.38Å; V575-I693 HydrophobicContact CG1-CG2 4.21Å; V575-I693 HydrophobicContact CG2-CG2 3.81Å; L604-I693 HydrophobicContact CB-CD1 4.43Å; L604-I693 HydrophobicContact CD1-CD1 3.94Å; L604-I693 HydrophobicContact CD2-CD1 3.89Å; L604-I693 HydrophobicContact CD2-CG1 4.28Å; L604-I693 HydrophobicContact CG-CD1 4.3Å; I607-I693 HydrophobicContact CD1-CD1 3.81Å; I607-I693 HydrophobicContact CD1-CG1 3.64Å; G689-I693 WeakPolarHBondContact O-CG1 3.42Å; G689-I693 PolarHBondContact O-N 3.47Å; G689-I693 VanDerWaalsContact O-N 3.14Å; I690-I693 CarbonylContact O-C 3.59Å; I690-I693 WeakPolarHBondContact O-CA 3.48Å; I690-I693 WeakPolarHBondContact O-CB 3.25Å; I690-I693 PolarHBondContact O-N 2.88Å; V691-I693 VanDerWaalsContact C-N 3.32Å; V691-I693 PolarHBondContact O-N 3.35Å; I693-H695 VanDerWaalsContact C-N 3.29Å; I693-H695 PolarHBondContact O-N 2.96Å; I693-I696 PolarHBondContact O-N 3.43Å; I693-V697 HydrophobicContact CG2-CB 4.47Å; I693-V697 HydrophobicContact CG2-CG2 4.32Å; I693-V697 PolarHBondContact O-N 3.38Å
694	L	96.4	Very high	96.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-39.8	177.2	-63.2	-179.2	0	0	0	111.8	I690 V691 N692 I696 N698 P699 V702 M720 A724 A728 I731	I690-L694 HydrophobicContact CG2-CG 4.31Å; I690-L694 WeakPolarHBondContact O-CG 3.13Å; I690-L694 PolarHBondContact O-N 2.74Å; V691-L694 WeakPolarHBondContact O-CB 3.45Å; V691-L694 PolarHBondContact O-N 3.12Å; N692-L694 VanDerWaalsContact C-N 3.35Å; N692-L694 PolarHBondContact O-N 2.84Å; L694-I696 VanDerWaalsContact C-N 3.34Å; L694-N698 WeakPolarHBondContact O-CA 3.38Å; L694-N698 PolarHBondContact O-N 3.23Å; L694-P699 HydrophobicContact CD2-CG 3.75Å; L694-V702 HydrophobicContact CD2-CG2 3.92Å; L694-M720 HydrophobicContact CD1-CE 3.68Å; L694-M720 HydrophobicContact CD1-CG 3.99Å; L694-M720 HydrophobicContact CD1-SD 4.05Å; L694-A724 HydrophobicContact CD1-CB 4.36Å; L694-A728 HydrophobicContact CB-CB 4.25Å; L694-A728 HydrophobicContact CD1-CB 4.38Å; L694-I731 HydrophobicContact CD2-CB 4.41Å; L694-I731 HydrophobicContact CD2-CD1 3.75Å; L694-I731 HydrophobicContact CD2-CG2 4.05Å
695	H	96.9	Very high	96.7	Very high	87 Å²	87	27.7 Å²	27.7	40%	0.403	15%	0.154	S	C	.	.	H	α-helix	trans	-76.2	-22.7	-179.5	-62.5	171.5	0	0	0	113.2	V691 N692 I693 L725	V691-H695 VanDerWaalsContact CG1-CE1 3.43Å; V691-H695 WeakPolarHBondContact CG1-CE1 3.4Å; V691-H695 PolarHBondContact O-CD2 3.46Å; V691-H695 PolarHBondContact O-N 3.21Å; V691-H695 VanDerWaalsContact O-N 3.08Å; N692-H695 PolarHBondContact O-N 3.28Å; I693-H695 VanDerWaalsContact C-N 3.29Å; I693-H695 PolarHBondContact O-N 2.96Å; H695-L725 PolarHBondContact NE2-N 3.22Å
696	I	95.3	Very high	96.2	Very high	139 Å²	139	29 Å²	29	71%	0.713	17%	0.167	S	C	*	.	H	α-helix	trans	-89.8	-48.6	179.6	-66.7	164.5	0	0	0	111.5	N692 I693 L694	N692-I696 WeakPolarHBondContact O-CD1 3.25Å; N692-I696 VanDerWaalsContact O-CG1 3.25Å; N692-I696 WeakPolarHBondContact O-CG1 3.42Å; N692-I696 PolarHBondContact O-N 2.97Å; N692-I696 VanDerWaalsContact O-N 3.12Å; I693-I696 PolarHBondContact O-N 3.43Å; L694-I696 VanDerWaalsContact C-N 3.34Å
697	V	94.3	Very high	95.7	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.218	21%	0.205	C	C	.	.	H	α-helix	trans	-103.9	-28.5	-170	-176.7	0	0	0	0	112.1	V575 I587 I693	V575-V697 HydrophobicContact CG2-CG1 4.46Å; I587-V697 HydrophobicContact CD1-CG2 4.21Å; I587-V697 HydrophobicContact CG2-CG1 3.87Å; I693-V697 HydrophobicContact CG2-CB 4.47Å; I693-V697 HydrophobicContact CG2-CG2 4.32Å; I693-V697 PolarHBondContact O-N 3.38Å
698	N	94.8	Very high	95.3	Very high	100 Å²	100	35.5 Å²	35.5	54%	0.535	21%	0.207	S	C	.	.			trans	47.9	58.8	-174.8	-168.5	39.9	0	0	0	113.9	L694	L694-N698 WeakPolarHBondContact O-CA 3.38Å; L694-N698 PolarHBondContact O-N 3.23Å
699	P	96.2	Very high	95	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.198	C	C	.	.			trans	-70.5	158.3	180	32.4	-35.3	0	0	0	111.8	V575 L694 L701 V702 I731	V575-P699 HydrophobicContact CG2-CB 4.02Å; V575-P699 HydrophobicContact CG2-CG 3.99Å; L694-P699 HydrophobicContact CD2-CG 3.75Å; P699-L701 VanDerWaalsContact C-N 3.35Å; P699-V702 HydrophobicContact CG-CG2 4.22Å; P699-I731 WeakPolarHBondContact O-CD1 3.34Å; P699-I731 WeakPolarHBondContact O-CG1 3.41Å
700	S	95.7	Very high	94.7	Very high	80 Å²	80	37.3 Å²	37.3	56%	0.559	22%	0.221	S	C	*	.	S	Bend	trans	-81.5	-17.5	172.6	-53.3	0	0	0	0	113	N573	N573-S700 PolarHBondContact O-N 3.12Å
701	L	97.6	Very high	94.4	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.6	-176.4	-176.7	66.5	0	0	0	111.2	H567 V571 F574 V575 P699 I703 K732 V734	H567-L701 HydrophobicContact CB-CD2 4.27Å; H567-L701 WeakPolarHBondContact O-CD2 3.47Å; V571-L701 HydrophobicContact CG1-CB 4.3Å; V571-L701 HydrophobicContact CG2-CD2 4.45Å; F574-L701 VanDerWaalsContact CA-O 3.28Å; F574-L701 WeakPolarHBondContact CA-O 3.33Å; F574-L701 HydrophobicContact CB-CB 3.88Å; F574-L701 WeakPolarHBondContact CB-O 3.19Å; V575-L701 PolarHBondContact N-O 2.88Å; P699-L701 VanDerWaalsContact C-N 3.35Å; L701-I703 HydrophobicContact CD2-CD1 3.87Å; L701-I703 HydrophobicContact CD2-CG1 3.77Å; L701-I703 HydrophobicContact CG-CD1 4.48Å; L701-I703 HydrophobicContact CG-CG1 3.9Å; L701-K732 HydrophobicContact CD1-CB 4.31Å; L701-V734 HydrophobicContact CD1-CG1 3.97Å; L701-V734 HydrophobicContact CD1-CG2 3.85Å; L701-V734 HydrophobicContact CD2-CG2 4.42Å; L701-V734 HydrophobicContact CG-CG2 4.31Å
702	V	98	Very high	94.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.2	168.4	179.3	0	0	0	0	108.7	V575 I690 L694 P699 L704 I731 K732 V733 V734	V575-V702 WeakPolarHBondContact O-CA 3.33Å; I690-V702 HydrophobicContact CD1-CG1 4.3Å; I690-V702 HydrophobicContact CG2-CG1 4.26Å; I690-V702 HydrophobicContact CG2-CG2 4.21Å; L694-V702 HydrophobicContact CD2-CG2 3.92Å; P699-V702 HydrophobicContact CG-CG2 4.22Å; V702-L704 HydrophobicContact CG1-CD2 4.28Å; V702-I731 HydrophobicContact CG2-CG2 4.21Å; V702-K732 PolarHBondContact N-O 3.3Å; V702-V733 HydrophobicContact CB-CG2 4.26Å; V702-V733 HydrophobicContact CG1-CG1 4.45Å; V702-V733 WeakPolarHBondContact O-CA 3.42Å; V702-V734 PolarHBondContact O-N 2.91Å
703	I	98.1	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.6	-179.2	-52	173.8	0	0	0	108.5	E562 H567 F574 V575 T576 V577 L701 V734	E562-I703 HydrophobicContact CB-CD1 3.76Å; E562-I703 HydrophobicContact CG-CD1 3.89Å; E562-I703 HydrophobicContact CG-CG2 4.03Å; H567-I703 HydrophobicContact CB-CD1 4.01Å; H567-I703 HydrophobicContact CB-CG1 4.43Å; F574-I703 HydrophobicContact CD2-CD1 3.71Å; F574-I703 HydrophobicContact CD2-CG1 4.4Å; F574-I703 HydrophobicContact CE2-CD1 3.92Å; F574-I703 HydrophobicContact CG-CD1 4.38Å; V575-I703 PolarHBondContact O-N 2.8Å; T576-I703 CarbonylContact C-O 3.58Å; T576-I703 VanDerWaalsContact CA-O 3.31Å; T576-I703 WeakPolarHBondContact CA-O 3.5Å; V577-I703 PolarHBondContact N-O 3.03Å; L701-I703 HydrophobicContact CD2-CD1 3.87Å; L701-I703 HydrophobicContact CD2-CG1 3.77Å; L701-I703 HydrophobicContact CG-CD1 4.48Å; L701-I703 HydrophobicContact CG-CG1 3.9Å; I703-V734 WeakPolarHBondContact CA-O 3.13Å; I703-V734 HydrophobicContact CB-CG2 4.31Å; I703-V734 HydrophobicContact CG1-CG2 3.88Å; I703-V734 HydrophobicContact CG2-CG2 4.29Å
704	L	96.8	Very high	94.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.5	171.9	-58.3	-173.9	0	0	0	109.5	V577 I690 V702 A709 Q713 V716 V733 V734 K735 S736	V577-L704 HydrophobicContact CB-CD2 3.85Å; V577-L704 HydrophobicContact CG2-CD2 4.28Å; V577-L704 WeakPolarHBondContact O-CA 3.47Å; I690-L704 HydrophobicContact CD1-CD2 3.89Å; V702-L704 HydrophobicContact CG1-CD2 4.28Å; L704-A709 HydrophobicContact CB-CB 3.79Å; L704-A709 WeakPolarHBondContact O-CB 3.34Å; L704-Q713 HydrophobicContact CD1-CB 4.48Å; L704-V716 HydrophobicContact CD1-CG2 4.44Å; L704-V733 HydrophobicContact CD1-CG1 3.66Å; L704-V733 HydrophobicContact CD2-CG1 4.43Å; L704-V733 HydrophobicContact CG-CG1 3.67Å; L704-V734 PolarHBondContact N-O 3.48Å; L704-K735 CarbonylContact O-C 3.56Å; L704-K735 WeakPolarHBondContact O-CA 3.31Å; L704-S736 PolarHBondContact O-N 3.04Å
705	S	93.2	Very high	94	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	167.5	178	-164.3	0	0	0	0	112.1	V577 T579 S736 P741	V577-S705 PolarHBondContact O-N 2.93Å; T579-S705 PolarHBondContact N-O 2.87Å; T579-S705 PolarHBondContact OG1-O 2.88Å; S705-S736 WeakPolarHBondContact OG-CB 3.44Å; S705-P741 WeakPolarHBondContact OG-CG 3.48Å
706	G	87.4	Confident	94	Very high	34 Å²	34	41.1 Å²	41.1	35%	0.351	25%	0.25	S	S	.	.	S	Bend	trans	85.6	176.8	-177.1	0	0	0	0	0	114.5	T579 L708 A709	T579-G706 CarbonylContact O-C 3.54Å; T579-G706 WeakPolarHBondContact O-CA 3.3Å; G706-L708 PolarHBondContact O-N 3.33Å; G706-L708 VanDerWaalsContact O-N 3.14Å; G706-A709 VanDerWaalsContact O-CB 3.25Å; G706-A709 WeakPolarHBondContact O-CB 3.4Å; G706-A709 PolarHBondContact O-N 3.32Å
707	V	85.7	Confident	94	Very high	131 Å²	131	36.8 Å²	36.8	79%	0.794	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.2	-167.2	-61.8	0	0	0	0	114.1	T579	T579-V707 PolarHBondContact O-N 2.93Å
708	L	90.1	Very high	94.1	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.9	178.8	-53.9	175.7	0	0	0	113.1	L633 I665 G706 S710 Y711 Y712	L633-L708 HydrophobicContact CD1-CD1 3.89Å; L633-L708 HydrophobicContact CD1-CD2 4.17Å; I665-L708 HydrophobicContact CD1-CD2 3.93Å; G706-L708 PolarHBondContact O-N 3.33Å; G706-L708 VanDerWaalsContact O-N 3.14Å; L708-S710 PolarHBondContact O-N 3.32Å; L708-Y711 WeakPolarHBondContact O-CB 3.4Å; L708-Y711 PolarHBondContact O-N 3.07Å; L708-Y712 HydrophobicContact CB-CD2 3.72Å; L708-Y712 HydrophobicContact CB-CE2 3.6Å; L708-Y712 HydrophobicContact CD1-CE2 3.96Å; L708-Y712 HydrophobicContact CG-CE2 4.38Å; L708-Y712 WeakPolarHBondContact O-CD2 3.33Å; L708-Y712 PolarHBondContact O-N 2.85Å; L708-Y712 VanDerWaalsContact O-N 3.07Å
709	A	91.9	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-44.7	-175.4	0	0	0	0	0	112.8	T579 L704 G706 Y711 Y712 Q713 K735	T579-A709 PolarHBondContact OG1-N 3.26Å; L704-A709 HydrophobicContact CB-CB 3.79Å; L704-A709 WeakPolarHBondContact O-CB 3.34Å; G706-A709 VanDerWaalsContact O-CB 3.25Å; G706-A709 WeakPolarHBondContact O-CB 3.4Å; G706-A709 PolarHBondContact O-N 3.32Å; A709-Y711 PolarHBondContact O-N 3.41Å; A709-Y712 PolarHBondContact O-N 3.23Å; A709-Y712 VanDerWaalsContact O-N 3.15Å; A709-Q713 PolarHBondContact O-N 3.27Å; A709-K735 HydrophobicContact CB-CG 3.98Å
710	S	90.6	Very high	94.2	Very high	70 Å²	70	35.5 Å²	35.5	49%	0.49	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-29.5	177.8	-65.6	0	0	0	0	113.3	L708 K735	L708-S710 PolarHBondContact O-N 3.32Å; S710-K735 VanDerWaalsContact OG-CD 3.25Å; S710-K735 WeakPolarHBondContact OG-CD 3.41Å; S710-K735 WeakPolarHBondContact OG-CE 3.25Å; S710-K735 PolarHBondContact OG-NZ 2.84Å
711	Y	91.1	Very high	94.1	Very high	54 Å²	54	35.4 Å²	35.4	21%	0.212	21%	0.209	C	C	.	.	H	α-helix	trans	-74.4	-42.7	175.3	179.3	-97	0	0	0	111	I665 L679 L708 A709 P715	I665-Y711 HydrophobicContact CD1-CG 4.45Å; I665-Y711 HydrophobicContact CG1-CD2 4.44Å; I665-Y711 HydrophobicContact CG2-CD2 4.13Å; L679-Y711 HydrophobicContact CB-CE1 3.89Å; L679-Y711 WeakPolarHBondContact CB-OH 3.38Å; L679-Y711 HydrophobicContact CD1-CE1 4.41Å; L679-Y711 HydrophobicContact CD1-CE2 3.96Å; L679-Y711 HydrophobicContact CD2-CE1 4.1Å; L679-Y711 HydrophobicContact CG-CE1 4.37Å; L708-Y711 WeakPolarHBondContact O-CB 3.4Å; L708-Y711 PolarHBondContact O-N 3.07Å; A709-Y711 PolarHBondContact O-N 3.41Å; Y711-P715 VanDerWaalsContact O-CD 3.23Å; Y711-P715 WeakPolarHBondContact O-CD 3.36Å; Y711-P715 WeakPolarHBondContact O-CG 3.48Å
712	Y	95.1	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-82.1	-23.2	-173.1	-73.7	-54	0	0	0	115.3	T579 A628 A682 S683 L686 L708 A709 A714 P715 V716	T579-Y712 HydrophobicContact CG2-CD2 4.25Å; A628-Y712 WeakPolarHBondContact CA-OH 3.3Å; A628-Y712 HydrophobicContact CB-CE1 4.49Å; A628-Y712 HydrophobicContact CB-CE2 4.44Å; A628-Y712 WeakPolarHBondContact O-CE2 3.09Å; A628-Y712 PolarHBondContact O-OH 2.89Å; A628-Y712 VanDerWaalsContact O-OH 3.09Å; A682-Y712 HydrophobicContact CB-CE1 4.16Å; A682-Y712 WeakPolarHBondContact CB-OH 3.43Å; S683-Y712 WeakPolarHBondContact OG-CD1 3.44Å; L686-Y712 HydrophobicContact CD2-CD1 3.85Å; L686-Y712 HydrophobicContact CD2-CD2 3.62Å; L686-Y712 HydrophobicContact CD2-CE1 4.39Å; L686-Y712 HydrophobicContact CD2-CE2 4.16Å; L686-Y712 HydrophobicContact CD2-CG 3.45Å; L686-Y712 VanDerWaalsContact CD2-CG 3.45Å; L708-Y712 HydrophobicContact CB-CD2 3.72Å; L708-Y712 HydrophobicContact CB-CE2 3.6Å; L708-Y712 HydrophobicContact CD1-CE2 3.96Å; L708-Y712 HydrophobicContact CG-CE2 4.38Å; L708-Y712 WeakPolarHBondContact O-CD2 3.33Å; L708-Y712 PolarHBondContact O-N 2.85Å; L708-Y712 VanDerWaalsContact O-N 3.07Å; A709-Y712 PolarHBondContact O-N 3.23Å; A709-Y712 VanDerWaalsContact O-N 3.15Å; Y712-A714 PolarHBondContact O-N 3.36Å; Y712-P715 WeakPolarHBondContact O-CD 3.48Å; Y712-V716 WeakPolarHBondContact O-CB 3.45Å; Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.46Å
713	Q	95.1	Very high	93.9	Very high	72 Å²	72	46.5 Å²	46.5	34%	0.336	25%	0.254	S	S	.	.	H	α-helix	trans	-50.8	-58.6	-173	-173.4	-168.4	-12.9	0	0	113.5	L704 A709 Q717 V733	L704-Q713 HydrophobicContact CD1-CB 4.48Å; A709-Q713 PolarHBondContact O-N 3.27Å; Q713-Q717 PolarHBondContact O-N 3.12Å; Q713-Q717 VanDerWaalsContact O-N 3.1Å; Q713-V733 HydrophobicContact CG-CG1 4.35Å; Q713-V733 PolarHBondContact NE2-O 3.04Å
714	A	95.3	Very high	93.8	Very high	73 Å²	73	46.9 Å²	46.9	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-69	-46.3	-177.4	0	0	0	0	0	113	Y712 V716 Q717 Q718	Y712-A714 PolarHBondContact O-N 3.36Å; A714-V716 VanDerWaalsContact C-N 3.33Å; A714-V716 PolarHBondContact O-N 3.38Å; A714-Q717 PolarHBondContact O-N 3.38Å; A714-Q718 PolarHBondContact O-N 3.18Å
715	P	95.2	Very high	93.7	Very high	40 Å²	40	52 Å²	52	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-40.8	175.2	-27.8	35.6	0	0	0	114.1	S683 Y711 Y712 Q718 V719	S683-P715 WeakPolarHBondContact OG-CB 3.28Å; Y711-P715 VanDerWaalsContact O-CD 3.23Å; Y711-P715 WeakPolarHBondContact O-CD 3.36Å; Y711-P715 WeakPolarHBondContact O-CG 3.48Å; Y712-P715 WeakPolarHBondContact O-CD 3.48Å; P715-Q718 WeakPolarHBondContact O-CB 3.5Å; P715-Q718 PolarHBondContact O-N 2.89Å; P715-V719 WeakPolarHBondContact O-CG2 3.45Å; P715-V719 PolarHBondContact O-N 2.88Å
716	V	96.4	Very high	93.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.8	166	0	0	0	0	110.8	L686 I690 L704 Y712 A714 Q718 V719 M720 V733	L686-V716 HydrophobicContact CB-CG2 4.32Å; L686-V716 HydrophobicContact CD2-CG2 3.89Å; L686-V716 HydrophobicContact CG-CG2 3.9Å; I690-V716 HydrophobicContact CB-CG1 4.36Å; I690-V716 HydrophobicContact CD1-CB 4.45Å; I690-V716 HydrophobicContact CD1-CG1 3.36Å; I690-V716 HydrophobicContact CD1-CG2 4.25Å; I690-V716 HydrophobicContact CG1-CG1 4.43Å; I690-V716 HydrophobicContact CG2-CG1 4.4Å; L704-V716 HydrophobicContact CD1-CG2 4.44Å; Y712-V716 WeakPolarHBondContact O-CB 3.45Å; Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.46Å; A714-V716 VanDerWaalsContact C-N 3.33Å; A714-V716 PolarHBondContact O-N 3.38Å; V716-Q718 PolarHBondContact O-N 3.08Å; V716-V719 PolarHBondContact O-N 3.33Å; V716-M720 HydrophobicContact CG1-SD 4.09Å; V716-M720 WeakPolarHBondContact O-CG 3.5Å; V716-M720 PolarHBondContact O-N 3.11Å; V716-V733 HydrophobicContact CG1-CG1 4.26Å; V716-V733 HydrophobicContact CG1-CG2 4.08Å
717	Q	95.8	Very high	93.9	Very high	48 Å²	48	63 Å²	63	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-40.2	176	-172.1	72.7	52.2	0	0	111.1	Q713 A714 M720 L721 I731	Q713-Q717 PolarHBondContact O-N 3.12Å; Q713-Q717 VanDerWaalsContact O-N 3.1Å; A714-Q717 PolarHBondContact O-N 3.38Å; Q717-M720 WeakPolarHBondContact O-CB 3.34Å; Q717-M720 PolarHBondContact O-N 3.3Å; Q717-L721 WeakPolarHBondContact O-CG 3.21Å; Q717-L721 PolarHBondContact O-N 2.93Å; Q717-I731 PolarHBondContact NE2-O 3.1Å
718	Q	95.8	Very high	94.2	Very high	99 Å²	99	56.9 Å²	56.9	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-45.5	176.7	-175.6	60.6	24.9	0	0	112.1	A714 P715 V716 M720 L721 E722	A714-Q718 PolarHBondContact O-N 3.18Å; P715-Q718 WeakPolarHBondContact O-CB 3.5Å; P715-Q718 PolarHBondContact O-N 2.89Å; V716-Q718 PolarHBondContact O-N 3.08Å; Q718-M720 VanDerWaalsContact C-N 3.27Å; Q718-M720 PolarHBondContact O-N 3.27Å; Q718-L721 PolarHBondContact O-N 3.15Å; Q718-E722 WeakPolarHBondContact CG-OE1 3.49Å; Q718-E722 PolarHBondContact NE2-OE1 3.42Å; Q718-E722 WeakPolarHBondContact O-CG 3.27Å; Q718-E722 PolarHBondContact O-N 2.77Å; Q718-E722 VanDerWaalsContact O-N 3.09Å
719	V	96.5	Very high	94.2	Very high	11 Å²	11	59 Å²	59	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-37.3	176.9	175.2	0	0	0	0	111.3	L684 V688 P715 V716 E722 R723	L684-V719 HydrophobicContact CD1-CG1 4.21Å; L684-V719 HydrophobicContact CD1-CG2 4.14Å; V688-V719 HydrophobicContact CG2-CG1 4.35Å; P715-V719 WeakPolarHBondContact O-CG2 3.45Å; P715-V719 PolarHBondContact O-N 2.88Å; V716-V719 PolarHBondContact O-N 3.33Å; V719-E722 PolarHBondContact O-N 2.77Å; V719-R723 HydrophobicContact CG1-CG 4.42Å; V719-R723 WeakPolarHBondContact O-CB 3.42Å; V719-R723 PolarHBondContact O-N 3Å
720	M	95.8	Very high	94.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-45.4	174.5	-75.1	170.7	42.2	0	0	112.1	I690 V691 L694 V716 Q717 Q718 E722 R723 A724 I731 V733	I690-M720 HydrophobicContact CG2-CG 4.21Å; I690-M720 HydrophobicContact CG2-SD 3.6Å; V691-M720 HydrophobicContact CG2-CG 4.14Å; L694-M720 HydrophobicContact CD1-CE 3.68Å; L694-M720 HydrophobicContact CD1-CG 3.99Å; L694-M720 HydrophobicContact CD1-SD 4.05Å; V716-M720 HydrophobicContact CG1-SD 4.09Å; V716-M720 WeakPolarHBondContact O-CG 3.5Å; V716-M720 PolarHBondContact O-N 3.11Å; Q717-M720 WeakPolarHBondContact O-CB 3.34Å; Q717-M720 PolarHBondContact O-N 3.3Å; Q718-M720 VanDerWaalsContact C-N 3.27Å; Q718-M720 PolarHBondContact O-N 3.27Å; M720-E722 VanDerWaalsContact C-N 3.26Å; M720-E722 PolarHBondContact O-N 2.9Å; M720-R723 PolarHBondContact O-N 3.49Å; M720-A724 WeakPolarHBondContact O-CB 3.43Å; M720-A724 PolarHBondContact O-N 3.06Å; M720-I731 HydrophobicContact CE-CB 4.28Å; M720-I731 WeakPolarHBondContact CE-O 3.11Å; M720-V733 HydrophobicContact CE-CG2 3.67Å; M720-V733 HydrophobicContact SD-CG2 3.21Å; M720-V733 WeakPolarHBondContact SD-CG2 3.16Å
721	L	95.3	Very high	94.3	Very high	79 Å²	79	61 Å²	61	41%	0.414	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-36.5	176.9	-70.6	171.4	0	0	0	112.2	Q717 Q718 Q729	Q717-L721 WeakPolarHBondContact O-CG 3.21Å; Q717-L721 PolarHBondContact O-N 2.93Å; Q718-L721 PolarHBondContact O-N 3.15Å; L721-Q729 HydrophobicContact CD2-CB 4.34Å; L721-Q729 PolarHBondContact O-NE2 3.26Å
722	E	95.4	Very high	94.4	Very high	118 Å²	118	65.3 Å²	65.3	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-80.9	-33.2	-178.1	-70.9	172.8	-168.8	0	0	113.8	Q718 V719 M720	Q718-E722 WeakPolarHBondContact CG-OE1 3.49Å; Q718-E722 PolarHBondContact NE2-OE1 3.42Å; Q718-E722 WeakPolarHBondContact O-CG 3.27Å; Q718-E722 PolarHBondContact O-N 2.77Å; Q718-E722 VanDerWaalsContact O-N 3.09Å; V719-E722 PolarHBondContact O-N 2.77Å; M720-E722 VanDerWaalsContact C-N 3.26Å; M720-E722 PolarHBondContact O-N 2.9Å
723	R	95.9	Very high	94.5	Very high	137 Å²	137	65.5 Å²	65.5	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-122	-16.8	-164.2	-57.8	-172.7	-177.9	-114.2	-4.5	115.2	V691 V719 M720	V691-R723 HydrophobicContact CG2-CB 4.29Å; V719-R723 HydrophobicContact CG1-CG 4.42Å; V719-R723 WeakPolarHBondContact O-CB 3.42Å; V719-R723 PolarHBondContact O-N 3Å; M720-R723 PolarHBondContact O-N 3.49Å
724	A	95.8	Very high	94.6	Very high	7 Å²	7	63.5 Å²	63.5	6%	0.058	33%	0.333	C	S	.	.	S	Bend	trans	-76.5	153.5	176	0	0	0	0	0	111.3	V691 L694 M720 A728 Q729	V691-A724 HydrophobicContact CG1-CB 4.39Å; V691-A724 HydrophobicContact CG2-CB 4.27Å; L694-A724 HydrophobicContact CD1-CB 4.36Å; M720-A724 WeakPolarHBondContact O-CB 3.43Å; M720-A724 PolarHBondContact O-N 3.06Å; A724-A728 HydrophobicContact CB-CB 4.29Å; A724-Q729 HydrophobicContact CB-CG 4.17Å; A724-Q729 PolarHBondContact O-NE2 3.37Å
725	L	94.3	Very high	94.6	Very high	109 Å²	109	63.9 Å²	63.9	57%	0.571	32%	0.321	S	S	*	.			trans	-53.4	144.5	164.7	-69.6	171.5	0	0	0	110	H695 S727 A728 Q729	H695-L725 PolarHBondContact NE2-N 3.22Å; L725-S727 PolarHBondContact O-N 3.02Å; L725-A728 PolarHBondContact O-N 3.39Å; L725-Q729 PolarHBondContact O-N 3.31Å
726	F	93.4	Very high	94.6	Very high	177 Å²	177	62.3 Å²	62.3	78%	0.776	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-50.7	-38.8	-175.5	-176.5	-99.5	0	0	0	113.4	A728 Q729	F726-A728 PolarHBondContact O-N 3.45Å; F726-Q729 PolarHBondContact O-N 3.26Å
727	S	92.1	Very high	94.5	Very high	91 Å²	91	68 Å²	68	64%	0.636	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.5	178.2	52.4	0	0	0	0	114.8	L725	L725-S727 PolarHBondContact O-N 3.02Å
728	A	91.1	Very high	94.3	Very high	2 Å²	2	67.1 Å²	67.1	2%	0.017	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-104.8	-7.2	-177.5	0	0	0	0	0	113.4	L694 A724 L725 F726 S730 I731	L694-A728 HydrophobicContact CB-CB 4.25Å; L694-A728 HydrophobicContact CD1-CB 4.38Å; A724-A728 HydrophobicContact CB-CB 4.29Å; L725-A728 PolarHBondContact O-N 3.39Å; F726-A728 PolarHBondContact O-N 3.45Å; A728-S730 PolarHBondContact O-N 3.13Å; A728-I731 HydrophobicContact CB-CD1 3.98Å; A728-I731 PolarHBondContact O-N 2.85Å
729	Q	90.2	Very high	93.8	Very high	52 Å²	52	71 Å²	71	24%	0.243	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.8	-179	-72	176.7	-1.8	0	0	113.3	L721 A724 L725 F726 I731	L721-Q729 HydrophobicContact CD2-CB 4.34Å; L721-Q729 PolarHBondContact O-NE2 3.26Å; A724-Q729 HydrophobicContact CB-CG 4.17Å; A724-Q729 PolarHBondContact O-NE2 3.37Å; L725-Q729 PolarHBondContact O-N 3.31Å; F726-Q729 PolarHBondContact O-N 3.26Å; Q729-I731 VanDerWaalsContact C-N 3.31Å
730	S	89.4	Confident	93.4	Very high	99 Å²	99	72 Å²	72	69%	0.692	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.5	-179.8	58.7	0	0	0	0	114.1	A728 K732	A728-S730 PolarHBondContact O-N 3.13Å; S730-K732 PolarHBondContact O-N 2.88Å
731	I	94.9	Very high	93.3	Very high	12 Å²	12	72.7 Å²	72.7	6%	0.062	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-68.3	132.2	179.7	-63.2	164.5	0	0	0	109	L694 P699 V702 Q717 M720 A728 Q729	L694-I731 HydrophobicContact CD2-CB 4.41Å; L694-I731 HydrophobicContact CD2-CD1 3.75Å; L694-I731 HydrophobicContact CD2-CG2 4.05Å; P699-I731 WeakPolarHBondContact O-CD1 3.34Å; P699-I731 WeakPolarHBondContact O-CG1 3.41Å; V702-I731 HydrophobicContact CG2-CG2 4.21Å; Q717-I731 PolarHBondContact NE2-O 3.1Å; M720-I731 HydrophobicContact CE-CB 4.28Å; M720-I731 WeakPolarHBondContact CE-O 3.11Å; A728-I731 HydrophobicContact CB-CD1 3.98Å; A728-I731 PolarHBondContact O-N 2.85Å; Q729-I731 VanDerWaalsContact C-N 3.31Å
732	K	94.2	Very high	93.1	Very high	145 Å²	145	69.7 Å²	69.7	63%	0.63	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.2	-176.6	-66.6	-176.4	-179.8	178.6	0	111.3	L701 V702 S730	L701-K732 HydrophobicContact CD1-CB 4.31Å; V702-K732 PolarHBondContact N-O 3.3Å; S730-K732 PolarHBondContact O-N 2.88Å
733	V	96.7	Very high	93	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.03	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.2	166.6	-173.4	0	0	0	0	108.9	V702 L704 Q713 V716 M720	V702-V733 HydrophobicContact CB-CG2 4.26Å; V702-V733 HydrophobicContact CG1-CG1 4.45Å; V702-V733 WeakPolarHBondContact O-CA 3.42Å; L704-V733 HydrophobicContact CD1-CG1 3.66Å; L704-V733 HydrophobicContact CD2-CG1 4.43Å; L704-V733 HydrophobicContact CG-CG1 3.67Å; Q713-V733 HydrophobicContact CG-CG1 4.35Å; Q713-V733 PolarHBondContact NE2-O 3.04Å; V716-V733 HydrophobicContact CG1-CG1 4.26Å; V716-V733 HydrophobicContact CG1-CG2 4.08Å; M720-V733 HydrophobicContact CE-CG2 3.67Å; M720-V733 HydrophobicContact SD-CG2 3.21Å; M720-V733 WeakPolarHBondContact SD-CG2 3.16Å
734	V	97	Very high	93	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.1	178.7	-58.5	0	0	0	0	110.5	H567 L701 V702 I703 L704	H567-V734 HydrophobicContact CB-CG2 4.1Å; L701-V734 HydrophobicContact CD1-CG1 3.97Å; L701-V734 HydrophobicContact CD1-CG2 3.85Å; L701-V734 HydrophobicContact CD2-CG2 4.42Å; L701-V734 HydrophobicContact CG-CG2 4.31Å; V702-V734 PolarHBondContact O-N 2.91Å; I703-V734 WeakPolarHBondContact CA-O 3.13Å; I703-V734 HydrophobicContact CB-CG2 4.31Å; I703-V734 HydrophobicContact CG1-CG2 3.88Å; I703-V734 HydrophobicContact CG2-CG2 4.29Å; L704-V734 PolarHBondContact N-O 3.48Å
735	K	95.8	Very high	93	Very high	81 Å²	81	57.8 Å²	57.8	35%	0.352	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.5	169.2	-177.1	-142.3	168.8	179.4	0	108.5	H567 L704 A709 S710	H567-K735 PolarHBondContact CE1-O 2.97Å; H567-K735 VanDerWaalsContact CE1-O 3.26Å; H567-K735 PolarHBondContact ND1-O 3.16Å; L704-K735 CarbonylContact O-C 3.56Å; L704-K735 WeakPolarHBondContact O-CA 3.31Å; A709-K735 HydrophobicContact CB-CG 3.98Å; S710-K735 VanDerWaalsContact OG-CD 3.25Å; S710-K735 WeakPolarHBondContact OG-CD 3.41Å; S710-K735 WeakPolarHBondContact OG-CE 3.25Å; S710-K735 PolarHBondContact OG-NZ 2.84Å
736	S	95.1	Very high	93.1	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.042	27%	0.274	C	S	.	.			trans	-62	141	169.2	175.8	0	0	0	0	111.5	E562 L704 S705 L738	E562-S736 WeakPolarHBondContact OE1-CB 3.37Å; E562-S736 PolarHBondContact OE1-OG 3.31Å; L704-S736 PolarHBondContact O-N 3.04Å; S705-S736 WeakPolarHBondContact OG-CB 3.44Å; S736-L738 PolarHBondContact OG-N 3.04Å; S736-L738 VanDerWaalsContact OG-N 3.12Å
737	D	93.2	Very high	93.2	Very high	121 Å²	121	44.2 Å²	44.2	65%	0.647	24%	0.237	S	C	*	.			trans	-97.5	-2.4	171.5	-68.9	-25.8	0	0	0	112.4	H567	H567-D737 IonicContact CE1-OD2 3.11Å; H567-D737 PolarHBondContact CE1-OD2 3.33Å; H567-D737 IonicContact NE2-OD2 3.6Å
738	L	92.1	Very high	93.3	Very high	28 Å²	28	39.9 Å²	39.9	15%	0.147	21%	0.207	C	C	.	.			trans	-81.9	127	-179.7	-57.5	-176.5	0	0	0	110.2	A561 F565 S736 P741 L744	A561-L738 HydrophobicContact CB-CD1 3.76Å; F565-L738 HydrophobicContact CB-CD1 4.39Å; F565-L738 HydrophobicContact CB-CD2 4Å; S736-L738 PolarHBondContact OG-N 3.04Å; S736-L738 VanDerWaalsContact OG-N 3.12Å; L738-P741 HydrophobicContact CB-CB 4.47Å; L738-P741 HydrophobicContact CB-CG 4.14Å; L738-L744 HydrophobicContact CB-CD1 4.24Å; L738-L744 HydrophobicContact CD1-CD1 4.44Å; L738-L744 HydrophobicContact CD2-CD1 4.11Å; L738-L744 HydrophobicContact CG-CD1 4.5Å
739	E	85.6	Confident	93.5	Very high	181 Å²	181	40.2 Å²	40.2	85%	0.846	21%	0.208	S	C	*	.	S	Bend	trans	-72.7	-41.5	179.8	-67.5	-170.5	166	0	0	113	P741	E739-P741 VanDerWaalsContact C-CD 3.44Å; E739-P741 WeakPolarHBondContact O-CD 3.47Å
740	E	89.1	Confident	93.7	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.15	20%	0.196	C	C	.	.	S	Bend	trans	-125.3	66.4	-177.8	-62.8	-81.9	-159.5	0	0	111.2	R457 I467 K470 A742 L743 L744	R457-E740 IonicContact NH1-OE2 3.92Å; I467-E740 HydrophobicContact CD1-CB 4.25Å; I467-E740 HydrophobicContact CD1-CG 4.24Å; K470-E740 IonicContact NZ-OE1 3.85Å; K470-E740 PolarHBondContact NZ-OE1 2.95Å; E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 3.28Å; E740-L743 HydrophobicContact CB-CB 4.01Å; E740-L743 HydrophobicContact CB-CD2 4.43Å; E740-L743 PolarHBondContact O-N 3.18Å; E740-L744 WeakPolarHBondContact O-CB 3.41Å; E740-L744 WeakPolarHBondContact O-CG 3.49Å; E740-L744 PolarHBondContact O-N 3.05Å
741	P	91.9	Very high	93.7	Very high	15 Å²	15	33 Å²	33	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-40.2	-173	-16.4	21.9	0	0	0	113.8	A558 A561 S705 L738 E739 G745	A558-P741 HydrophobicContact CB-CB 3.67Å; A561-P741 HydrophobicContact CB-CB 4.47Å; A561-P741 WeakPolarHBondContact CB-O 3.41Å; S705-P741 WeakPolarHBondContact OG-CG 3.48Å; L738-P741 HydrophobicContact CB-CB 4.47Å; L738-P741 HydrophobicContact CB-CG 4.14Å; E739-P741 VanDerWaalsContact C-CD 3.44Å; E739-P741 WeakPolarHBondContact O-CD 3.47Å; P741-G745 WeakPolarHBondContact O-CA 3.03Å; P741-G745 PolarHBondContact O-N 3.19Å
742	A	91.9	Very high	93.1	Very high	16 Å²	16	33 Å²	33	13%	0.132	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-43.6	179.8	0	0	0	0	0	111.7	E740 G745 A746	E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 3.28Å; A742-G745 PolarHBondContact O-N 3.38Å; A742-A746 PolarHBondContact O-N 3.37Å
743	L	93.2	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.9	-42.3	179.4	-165.1	66.5	0	0	0	112	A448 D450 R457 A459 I467 K470 E740 G745 A746 A747	A448-L743 HydrophobicContact CB-CD1 3.75Å; A448-L743 HydrophobicContact CB-CG 3.99Å; A448-L743 VanDerWaalsContact CB-O 3.25Å; A448-L743 WeakPolarHBondContact CB-O 3.44Å; A448-L743 WeakPolarHBondContact O-CD1 3.29Å; D450-L743 HydrophobicContact CB-CB 4.29Å; D450-L743 HydrophobicContact CB-CD1 3.64Å; R457-L743 HydrophobicContact CB-CD1 4.43Å; A459-L743 HydrophobicContact CB-CD1 4.35Å; A459-L743 HydrophobicContact CB-CD2 3.6Å; A459-L743 HydrophobicContact CB-CG 4.09Å; I467-L743 HydrophobicContact CD1-CD2 4.39Å; K470-L743 HydrophobicContact CD-CD2 4.02Å; K470-L743 HydrophobicContact CG-CD2 4.49Å; E740-L743 HydrophobicContact CB-CB 4.01Å; E740-L743 HydrophobicContact CB-CD2 4.43Å; E740-L743 PolarHBondContact O-N 3.18Å; L743-G745 PolarHBondContact O-N 3.49Å; L743-A746 WeakPolarHBondContact O-CB 3.44Å; L743-A746 PolarHBondContact O-N 3.19Å; L743-A747 PolarHBondContact O-N 3.35Å
744	L	95.9	Very high	90.2	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-32.2	173	-68.4	177.7	0	0	0	111.6	V461 G465 I467 A561 F565 L738 E740 A747 S748	V461-L744 HydrophobicContact CG1-CD2 3.85Å; G465-L744 VanDerWaalsContact O-CD2 3.28Å; G465-L744 WeakPolarHBondContact O-CD2 3.38Å; I467-L744 HydrophobicContact CD1-CD2 4.42Å; I467-L744 HydrophobicContact CG1-CD2 4.13Å; A561-L744 HydrophobicContact CB-CB 4Å; F565-L744 HydrophobicContact CD2-CB 4.16Å; F565-L744 HydrophobicContact CE2-CB 4.35Å; L738-L744 HydrophobicContact CB-CD1 4.24Å; L738-L744 HydrophobicContact CD1-CD1 4.44Å; L738-L744 HydrophobicContact CD2-CD1 4.11Å; L738-L744 HydrophobicContact CG-CD1 4.5Å; E740-L744 WeakPolarHBondContact O-CB 3.41Å; E740-L744 WeakPolarHBondContact O-CG 3.49Å; E740-L744 PolarHBondContact O-N 3.05Å; L744-A747 WeakPolarHBondContact O-CB 3.21Å; L744-A747 PolarHBondContact O-N 3.21Å; L744-S748 WeakPolarHBondContact O-CB 3.45Å; L744-S748 PolarHBondContact O-N 3.36Å
745	G	95.1	Very high	87.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-48.2	173.6	0	0	0	0	0	112.5	C557 P741 A742 L743 A747 S748 M749	C557-G745 WeakPolarHBondContact O-CA 3.23Å; P741-G745 WeakPolarHBondContact O-CA 3.03Å; P741-G745 PolarHBondContact O-N 3.19Å; A742-G745 PolarHBondContact O-N 3.38Å; L743-G745 PolarHBondContact O-N 3.49Å; G745-A747 VanDerWaalsContact C-N 3.31Å; G745-A747 PolarHBondContact O-N 3.02Å; G745-S748 WeakPolarHBondContact O-CB 3.36Å; G745-S748 PolarHBondContact O-N 3.49Å; G745-S748 PolarHBondContact O-OG 3.35Å; G745-M749 PolarHBondContact O-N 2.95Å; G745-M749 VanDerWaalsContact O-N 3.16Å
746	A	96.5	Very high	85.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.5	-47.1	172.3	0	0	0	0	0	111.3	A448 G508 A742 L743 S748 M749	A448-A746 HydrophobicContact CB-CB 4.13Å; G508-A746 WeakPolarHBondContact CA-O 3.39Å; A742-A746 PolarHBondContact O-N 3.37Å; L743-A746 WeakPolarHBondContact O-CB 3.44Å; L743-A746 PolarHBondContact O-N 3.19Å; A746-S748 VanDerWaalsContact C-N 3.35Å; A746-S748 PolarHBondContact O-N 3.09Å; A746-M749 HydrophobicContact CB-CE 4.48Å; A746-M749 PolarHBondContact O-N 3.44Å
747	A	96.6	Very high	82.4	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-43.8	173.3	0	0	0	0	0	112.5	A446 A448 V461 L743 L744 G745 M749 V750 L751	A446-A747 HydrophobicContact CB-CB 4.1Å; A448-A747 HydrophobicContact CB-CB 4.02Å; V461-A747 HydrophobicContact CB-CB 3.62Å; V461-A747 HydrophobicContact CG1-CB 3.72Å; V461-A747 HydrophobicContact CG2-CB 3.88Å; L743-A747 PolarHBondContact O-N 3.35Å; L744-A747 WeakPolarHBondContact O-CB 3.21Å; L744-A747 PolarHBondContact O-N 3.21Å; G745-A747 VanDerWaalsContact C-N 3.31Å; G745-A747 PolarHBondContact O-N 3.02Å; A747-M749 PolarHBondContact O-N 3.41Å; A747-V750 WeakPolarHBondContact O-CB 3.33Å; A747-V750 PolarHBondContact O-N 3.3Å; A747-L751 HydrophobicContact CB-CD1 4.35Å; A747-L751 VanDerWaalsContact O-CG 3.3Å; A747-L751 WeakPolarHBondContact O-CG 3.19Å; A747-L751 PolarHBondContact O-N 3.48Å
748	S	94.6	Very high	79.3	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-33.3	-177.2	78.2	0	0	0	0	112.7	L560 L744 G745 A746 L751 D752	L560-S748 WeakPolarHBondContact CB-OG 3.24Å; L744-S748 WeakPolarHBondContact O-CB 3.45Å; L744-S748 PolarHBondContact O-N 3.36Å; G745-S748 WeakPolarHBondContact O-CB 3.36Å; G745-S748 PolarHBondContact O-N 3.49Å; G745-S748 PolarHBondContact O-OG 3.35Å; A746-S748 VanDerWaalsContact C-N 3.35Å; A746-S748 PolarHBondContact O-N 3.09Å; S748-L751 PolarHBondContact O-N 2.99Å; S748-D752 WeakPolarHBondContact O-CB 3.45Å; S748-D752 PolarHBondContact O-N 3.14Å
749	M	94.1	Very high	76.3	Confident	8 Å²	8	51 Å²	51	4%	0.039	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-50.1	173.2	-66.7	-170.1	-75.6	0	0	110.6	W550 D552 L560 G745 A746 A747 L751 Y753	W550-M749 HydrophobicContact CB-CB 4.02Å; W550-M749 HydrophobicContact CB-CE 4.27Å; W550-M749 HydrophobicContact CB-SD 4.05Å; W550-M749 HydrophobicContact CG-CB 4.35Å; D552-M749 HydrophobicContact CB-CE 4.09Å; D552-M749 HydrophobicContact CB-SD 3.78Å; L560-M749 HydrophobicContact CD1-CG 3.69Å; L560-M749 HydrophobicContact CD1-SD 4.25Å; G745-M749 PolarHBondContact O-N 2.95Å; G745-M749 VanDerWaalsContact O-N 3.16Å; A746-M749 HydrophobicContact CB-CE 4.48Å; A746-M749 PolarHBondContact O-N 3.44Å; A747-M749 PolarHBondContact O-N 3.41Å; M749-L751 PolarHBondContact O-N 2.98Å; M749-Y753 WeakPolarHBondContact O-CB 3.46Å; M749-Y753 WeakPolarHBondContact O-CD2 3.38Å; M749-Y753 PolarHBondContact O-N 3.02Å
750	V	93.9	Very high	75.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-50.1	177.1	-177.8	0	0	0	0	110.5	A446 L505 W550 A747 D752 A754	A446-V750 HydrophobicContact CB-CB 3.58Å; A446-V750 HydrophobicContact CB-CG1 3.71Å; A446-V750 HydrophobicContact CB-CG2 4.03Å; L505-V750 HydrophobicContact CB-CG1 3.97Å; W550-V750 HydrophobicContact CE3-CB 4.32Å; W550-V750 HydrophobicContact CE3-CG2 3.73Å; W550-V750 HydrophobicContact CZ3-CB 4.13Å; W550-V750 HydrophobicContact CZ3-CG1 3.98Å; W550-V750 HydrophobicContact CZ3-CG2 3.89Å; A747-V750 WeakPolarHBondContact O-CB 3.33Å; A747-V750 PolarHBondContact O-N 3.3Å; V750-D752 PolarHBondContact O-N 2.96Å; V750-A754 WeakPolarHBondContact O-CA 3.48Å; V750-A754 WeakPolarHBondContact O-CB 3.46Å; V750-A754 PolarHBondContact O-N 3.31Å
751	L	90	Very high	75.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-38.1	-173	-61.5	173.4	0	0	0	111.9	A446 M463 L505 F565 A747 S748 M749 T755	A446-L751 HydrophobicContact CB-CD1 4.49Å; A446-L751 HydrophobicContact CB-CD2 3.83Å; A446-L751 HydrophobicContact CB-CG 3.88Å; M463-L751 HydrophobicContact CE-CB 4.3Å; M463-L751 HydrophobicContact SD-CB 3.93Å; M463-L751 HydrophobicContact SD-CD2 3.75Å; M463-L751 HydrophobicContact SD-CG 4.26Å; L505-L751 HydrophobicContact CD1-CD2 4.4Å; F565-L751 HydrophobicContact CZ-CD1 3.99Å; A747-L751 HydrophobicContact CB-CD1 4.35Å; A747-L751 VanDerWaalsContact O-CG 3.3Å; A747-L751 WeakPolarHBondContact O-CG 3.19Å; A747-L751 PolarHBondContact O-N 3.48Å; S748-L751 PolarHBondContact O-N 2.99Å; M749-L751 PolarHBondContact O-N 2.98Å; L751-T755 VanDerWaalsContact O-CB 3.32Å; L751-T755 WeakPolarHBondContact O-CB 3.36Å; L751-T755 WeakPolarHBondContact O-CG2 3.49Å; L751-T755 PolarHBondContact O-N 3.19Å; L751-T755 VanDerWaalsContact O-N 3.09Å; L751-T755 PolarHBondContact O-OG1 3.41Å
752	D	83.6	Confident	74.2	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.064	21%	0.208	C	C	.	.	H	α-helix	trans	-74.2	-43.9	177.7	-79.7	-12.5	0	0	0	111.9	R563 K564 S748 V750 T755 R756	R563-D752 IonicContact NH2-OD2 3.91Å; R563-D752 PolarHBondContact NH2-OD2 3.3Å; R563-D752 VanDerWaalsContact NH2-OD2 3.08Å; K564-D752 VanDerWaalsContact CD-OD1 3.22Å; K564-D752 WeakPolarHBondContact CD-OD1 3.47Å; K564-D752 WeakPolarHBondContact CE-OD1 3.34Å; K564-D752 IonicContact NZ-OD1 2.78Å; K564-D752 PolarHBondContact NZ-OD1 3.46Å; S748-D752 WeakPolarHBondContact O-CB 3.45Å; S748-D752 PolarHBondContact O-N 3.14Å; V750-D752 PolarHBondContact O-N 2.96Å; D752-T755 PolarHBondContact O-N 3.05Å; D752-R756 WeakPolarHBondContact O-CB 3.45Å; D752-R756 WeakPolarHBondContact O-CG 3.2Å; D752-R756 PolarHBondContact O-N 3.31Å
753	Y	70.4	Confident	73.2	Confident	101 Å²	101	48.6 Å²	48.6	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-78.4	-28.2	-177.7	-74.2	-79.3	0	0	0	112.2	M749 R757	M749-Y753 WeakPolarHBondContact O-CB 3.46Å; M749-Y753 WeakPolarHBondContact O-CD2 3.38Å; M749-Y753 PolarHBondContact O-N 3.02Å; Y753-R757 PolarHBondContact O-N 3.43Å
754	A	59.5	Low	71.9	Confident	25 Å²	25	51.7 Å²	51.7	21%	0.207	23%	0.226	C	C	.	.	H	α-helix	trans	-70.5	-30.6	167.2	0	0	0	0	0	112.6	L505 V750 R757	L505-A754 HydrophobicContact CB-CB 4.14Å; L505-A754 HydrophobicContact CD1-CB 3.95Å; V750-A754 WeakPolarHBondContact O-CA 3.48Å; V750-A754 WeakPolarHBondContact O-CB 3.46Å; V750-A754 PolarHBondContact O-N 3.31Å; A754-R757 WeakPolarHBondContact O-CB 3.17Å
755	T	47.1	Very low	70.3	Confident	29 Å²	29	54.3 Å²	54.3	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-96	-20.1	179	57.4	0	0	0	0	116.8	M463 L751 D752 R757 T758	M463-T755 HydrophobicContact CE-CG2 3.32Å; M463-T755 HydrophobicContact SD-CG2 3.95Å; L751-T755 VanDerWaalsContact O-CB 3.32Å; L751-T755 WeakPolarHBondContact O-CB 3.36Å; L751-T755 WeakPolarHBondContact O-CG2 3.49Å; L751-T755 PolarHBondContact O-N 3.19Å; L751-T755 VanDerWaalsContact O-N 3.09Å; L751-T755 PolarHBondContact O-OG1 3.41Å; D752-T755 PolarHBondContact O-N 3.05Å; T755-R757 PolarHBondContact O-N 2.81Å; T755-T758 VanDerWaalsContact C-OG1 3.23Å; T755-T758 WeakPolarHBondContact CA-OG1 3.5Å; T755-T758 WeakPolarHBondContact CB-OG1 3.29Å; T755-T758 WeakPolarHBondContact O-CA 3.44Å; T755-T758 PolarHBondContact O-N 3.42Å; T755-T758 PolarHBondContact O-OG1 3.47Å
756	R	40.8	Very low	68.6	Low	125 Å²	125	58.2 Å²	58.2	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-19.1	160.4	-72.1	176.6	-178.8	-167.3	-1.7	110.3	K430 E592 D752 T758	K430-R756 PolarHBondContact NZ-O 3.1Å; E592-R756 IonicContact OE1-CZ 3.85Å; E592-R756 IonicContact OE1-NH1 3.74Å; E592-R756 PolarHBondContact OE1-NH1 3.31Å; E592-R756 IonicContact OE1-NH2 3.31Å; E592-R756 PolarHBondContact OE1-NH2 2.97Å; D752-R756 WeakPolarHBondContact O-CB 3.45Å; D752-R756 WeakPolarHBondContact O-CG 3.2Å; D752-R756 PolarHBondContact O-N 3.31Å; R756-T758 VanDerWaalsContact C-N 3.26Å; R756-T758 PolarHBondContact O-N 3.29Å
757	R	34.8	Very low	66.4	Low	155 Å²	155	62.7 Å²	62.7	59%	0.585	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	2.2	161.6	-77.6	-176.8	178.8	-179.1	0.6	114.8	K430 Y753 A754 T755	K430-R757 HydrophobicContact CD-CB 4.5Å; K430-R757 WeakPolarHBondContact CD-O 3.48Å; K430-R757 VanDerWaalsContact CE-CA 3.43Å; K430-R757 VanDerWaalsContact CE-O 3.25Å; K430-R757 WeakPolarHBondContact CE-O 3.36Å; K430-R757 HydrophobicContact CG-CB 3.96Å; K430-R757 HydrophobicContact CG-CG 4.07Å; K430-R757 VanDerWaalsContact CG-O 3.23Å; K430-R757 WeakPolarHBondContact CG-O 3.17Å; K430-R757 VanDerWaalsContact NZ-CA 3.29Å; K430-R757 PolarHBondContact NZ-O 2.7Å; Y753-R757 PolarHBondContact O-N 3.43Å; A754-R757 WeakPolarHBondContact O-CB 3.17Å; T755-R757 PolarHBondContact O-N 2.81Å
758	T	29.3	Very low	63.9	Low	91 Å²	91	67.9 Å²	67.9	56%	0.558	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	14.2	176.7	41.4	0	0	0	0	117.5	T755 R756	T755-T758 VanDerWaalsContact C-OG1 3.23Å; T755-T758 WeakPolarHBondContact CA-OG1 3.5Å; T755-T758 WeakPolarHBondContact CB-OG1 3.29Å; T755-T758 WeakPolarHBondContact O-CA 3.44Å; T755-T758 PolarHBondContact O-N 3.42Å; T755-T758 PolarHBondContact O-OG1 3.47Å; R756-T758 VanDerWaalsContact C-N 3.26Å; R756-T758 PolarHBondContact O-N 3.29Å
759	Y	28.8	Very low	61.1	Low	268 Å²	268	74 Å²	74	100%	1.051	32%	0.323	S	S	*	.			trans	-126.1	0	164.4	-71.5	-77.6	0	0	0	113.6	K430	K430-Y759 PolarHBondContact NZ-O 3.27Å

Retrieved 759 of 759 residues in 721.3 ms (Link to these results)

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