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Beta-1,3-galactosyl-O-glycosyl-glycoprotein beta-1,6-N-acetylglucosaminyltransferase 3

Glycosyltransferase that can synthesize all known mucin beta 6 N-acetylglucosaminides. Mediates core 2 and core 4 O-glycan branching, 2 important steps in mucin-type biosynthesis. Also has I-branching enzyme activity by converting linear into branched poly-N-acetyllactosaminoglycans, leading to introduce the blood group I antigen during embryonic development.

AlphaFold DB , UniProt , Accession A0A096ND33, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 419 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	52.6	Low	59	Low	211 Å²	211	151.9 Å²	151.9	100%	1.039	70%	0.696	S	S	*	*				0	-26.8	0	-131.8	176.4	-87.9	0	0	114.6
2	V	54.4	Low	60.3	Low	115 Å²	115	153.9 Å²	153.9	70%	0.697	70%	0.695	S	S	*	*	H	α-helix	trans	-79.3	-34.1	-179	179.2	0	0	0	0	114	R6	V2-R6 PolarHBondContact O-N 3Å
3	Q	54.4	Low	61.5	Low	166 Å²	166	151.2 Å²	151.2	78%	0.776	69%	0.689	S	S	*	*	H	α-helix	trans	-66.1	-36.7	177.5	-95.2	173.3	-27	0	0	113.5	R6 L7	Q3-R6 PolarHBondContact O-N 3.44Å; Q3-L7 PolarHBondContact O-N 3.36Å
4	W	52.6	Low	62.7	Low	213 Å²	213	153.2 Å²	153.2	81%	0.807	69%	0.689	S	S	*	*	H	α-helix	trans	-69	-37.2	179.7	-128.9	36.7	0	0	0	112.4	R6 L7 C8	W4-R6 VanDerWaalsContact C-N 3.35Å; W4-R6 PolarHBondContact O-N 3.47Å; W4-L7 PolarHBondContact O-N 2.64Å; W4-C8 WeakPolarHBondContact O-CB 3.44Å; W4-C8 PolarHBondContact O-N 3.08Å
5	K	55.2	Low	63.9	Low	165 Å²	165	145.9 Å²	145.9	72%	0.717	67%	0.667	S	S	*	*	H	α-helix	trans	-65	-35.4	172.2	-76.5	-173.6	176.6	-176.9	0	112.6	R9	K5-R9 VanDerWaalsContact O-CB 3.29Å; K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 PolarHBondContact O-N 2.91Å
6	R	58	Low	65.1	Low	192 Å²	192	142.6 Å²	142.6	73%	0.725	66%	0.656	S	S	*	*	H	α-helix	trans	-68.6	-44	173.8	-89.5	-174.9	175.2	-179.3	-1.1	112	V2 Q3 W4 R9 Q10	V2-R6 PolarHBondContact O-N 3Å; Q3-R6 PolarHBondContact O-N 3.44Å; W4-R6 VanDerWaalsContact C-N 3.35Å; W4-R6 PolarHBondContact O-N 3.47Å; R6-R9 PolarHBondContact O-N 3.36Å; R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.33Å
7	L	57.9	Low	66.3	Low	91 Å²	91	136.4 Å²	136.4	48%	0.476	64%	0.64	S	S	.	*	H	α-helix	trans	-62	-47.5	176	-117.8	91.5	0	0	0	111.8	Q3 W4 R9 Q10 H11	Q3-L7 PolarHBondContact O-N 3.36Å; W4-L7 PolarHBondContact O-N 2.64Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 2.66Å; L7-Q10 PolarHBondContact O-N 3.41Å; L7-H11 PolarHBondContact O-CD2 3.47Å; L7-H11 PolarHBondContact O-N 3.49Å
8	C	60.4	Low	67.4	Low	83 Å²	83	132.4 Å²	132.4	56%	0.561	63%	0.628	S	S	*	*	H	α-helix	trans	-59.4	-41.5	175.5	-88.7	0	0	0	0	112.3	W4 Q10 H11 Y12	W4-C8 WeakPolarHBondContact O-CB 3.44Å; W4-C8 PolarHBondContact O-N 3.08Å; C8-Q10 VanDerWaalsContact C-N 3.32Å; C8-Q10 PolarHBondContact O-N 3.25Å; C8-H11 PolarHBondContact O-N 3.43Å; C8-Y12 WeakPolarHBondContact O-CB 3.45Å; C8-Y12 PolarHBondContact O-N 2.7Å
9	R	63.4	Low	68.4	Low	189 Å²	189	134.5 Å²	134.5	71%	0.713	63%	0.631	S	S	*	*	H	α-helix	trans	-65.8	-36.1	177.5	-165.4	174.9	-176.1	-175.7	0.6	111.8	K5 R6 L7 Y12 L13	K5-R9 VanDerWaalsContact O-CB 3.29Å; K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 PolarHBondContact O-N 2.91Å; R6-R9 PolarHBondContact O-N 3.36Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 2.66Å; R9-Y12 PolarHBondContact O-N 3.17Å; R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CB 3.38Å; R9-L13 VanDerWaalsContact O-CG 3.27Å; R9-L13 WeakPolarHBondContact O-CG 3.4Å; R9-L13 PolarHBondContact O-N 2.62Å
10	Q	68.6	Low	69.3	Low	119 Å²	119	133.3 Å²	133.3	56%	0.556	63%	0.627	S	S	*	*	H	α-helix	trans	-70.5	-40.9	176.6	-164	166.5	-2.3	0	0	111.8	R6 L7 C8 L13 W14	R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.33Å; L7-Q10 PolarHBondContact O-N 3.41Å; C8-Q10 VanDerWaalsContact C-N 3.32Å; C8-Q10 PolarHBondContact O-N 3.25Å; Q10-L13 PolarHBondContact O-N 3.01Å; Q10-W14 PolarHBondContact O-N 2.89Å
11	H	71.4	Confident	70.1	Confident	127 Å²	127	132.5 Å²	132.5	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-64.9	-37.7	172	-74.8	-62.3	0	0	0	112.7	L7 C8 W14 A15	L7-H11 PolarHBondContact O-CD2 3.47Å; L7-H11 PolarHBondContact O-N 3.49Å; C8-H11 PolarHBondContact O-N 3.43Å; H11-W14 PolarHBondContact O-N 2.64Å; H11-A15 WeakPolarHBondContact O-CB 3.26Å; H11-A15 PolarHBondContact O-N 2.92Å
12	Y	74.1	Confident	71.7	Confident	176 Å²	176	128 Å²	128	69%	0.69	61%	0.605	S	S	*	*	H	α-helix	trans	-65.9	-41.9	176.5	-150.3	-94.2	0	0	0	111.6	C8 R9 A15 L16	C8-Y12 WeakPolarHBondContact O-CB 3.45Å; C8-Y12 PolarHBondContact O-N 2.7Å; R9-Y12 PolarHBondContact O-N 3.17Å; Y12-A15 PolarHBondContact O-N 3.37Å; Y12-L16 HydrophobicContact CD1-CD1 4.37Å; Y12-L16 HydrophobicContact CE1-CD1 4.14Å; Y12-L16 VanDerWaalsContact O-CB 3.27Å; Y12-L16 WeakPolarHBondContact O-CB 3.45Å; Y12-L16 PolarHBondContact O-N 3.26Å
13	L	76.9	Confident	72.9	Confident	118 Å²	118	125.2 Å²	125.2	62%	0.618	60%	0.595	S	S	*	*	H	α-helix	trans	-64.8	-38.8	174.8	-74	166.2	0	0	0	112.3	R9 Q10 G17	R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CB 3.38Å; R9-L13 VanDerWaalsContact O-CG 3.27Å; R9-L13 WeakPolarHBondContact O-CG 3.4Å; R9-L13 PolarHBondContact O-N 2.62Å; Q10-L13 PolarHBondContact O-N 3.01Å; L13-G17 PolarHBondContact O-N 3.3Å
14	W	77.3	Confident	74.3	Confident	180 Å²	180	121.5 Å²	121.5	68%	0.682	58%	0.579	S	S	*	*	H	α-helix	trans	-65.2	-45.7	173.8	-95.8	90.2	0	0	0	112.4	Q10 H11 L16 G17 C18	Q10-W14 PolarHBondContact O-N 2.89Å; H11-W14 PolarHBondContact O-N 2.64Å; W14-L16 VanDerWaalsContact C-N 3.35Å; W14-L16 PolarHBondContact O-N 3.18Å; W14-G17 PolarHBondContact O-N 2.8Å; W14-C18 PolarHBondContact O-N 2.96Å; W14-C18 PolarHBondContact O-SG 2.87Å; W14-C18 VanDerWaalsContact O-SG 3.37Å
15	A	80.7	Confident	75.5	Confident	44 Å²	44	114.6 Å²	114.6	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-44.8	176.5	0	0	0	0	0	111.2	H11 Y12 G17 C18 Y19	H11-A15 WeakPolarHBondContact O-CB 3.26Å; H11-A15 PolarHBondContact O-N 2.92Å; Y12-A15 PolarHBondContact O-N 3.37Å; A15-G17 VanDerWaalsContact C-N 3.34Å; A15-G17 PolarHBondContact O-N 3.06Å; A15-C18 WeakPolarHBondContact O-CB 3.44Å; A15-C18 PolarHBondContact O-N 3.3Å; A15-Y19 WeakPolarHBondContact O-CD2 3.48Å; A15-Y19 PolarHBondContact O-N 3.2Å
16	L	84.1	Confident	76.5	Confident	92 Å²	92	109.5 Å²	109.5	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-65.5	-38	178.6	-151.1	137.3	0	0	0	111.5	Y12 W14 Y19 M20	Y12-L16 HydrophobicContact CD1-CD1 4.37Å; Y12-L16 HydrophobicContact CE1-CD1 4.14Å; Y12-L16 VanDerWaalsContact O-CB 3.27Å; Y12-L16 WeakPolarHBondContact O-CB 3.45Å; Y12-L16 PolarHBondContact O-N 3.26Å; W14-L16 VanDerWaalsContact C-N 3.35Å; W14-L16 PolarHBondContact O-N 3.18Å; L16-Y19 PolarHBondContact O-N 3.09Å; L16-M20 HydrophobicContact CD2-CG 4.39Å; L16-M20 WeakPolarHBondContact O-CB 3.37Å; L16-M20 VanDerWaalsContact O-CG 3.28Å; L16-M20 WeakPolarHBondContact O-CG 3.26Å; L16-M20 PolarHBondContact O-N 3.21Å
17	G	85.3	Confident	77.2	Confident	37 Å²	37	105.5 Å²	105.5	38%	0.381	54%	0.542	S	S	.	.	H	α-helix	trans	-59.4	-46.7	170	0	0	0	0	0	112.7	L13 W14 A15 M20 L21	L13-G17 PolarHBondContact O-N 3.3Å; W14-G17 PolarHBondContact O-N 2.8Å; A15-G17 VanDerWaalsContact C-N 3.34Å; A15-G17 PolarHBondContact O-N 3.06Å; G17-M20 PolarHBondContact O-N 3.27Å; G17-L21 WeakPolarHBondContact O-CB 3.45Å; G17-L21 PolarHBondContact O-N 2.72Å
18	C	85.7	Confident	77.6	Confident	65 Å²	65	108 Å²	108	44%	0.439	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-42.2	176	-71.2	0	0	0	0	112.6	W14 A15 L21 L22	W14-C18 PolarHBondContact O-N 2.96Å; W14-C18 PolarHBondContact O-SG 2.87Å; W14-C18 VanDerWaalsContact O-SG 3.37Å; A15-C18 WeakPolarHBondContact O-CB 3.44Å; A15-C18 PolarHBondContact O-N 3.3Å; C18-L21 PolarHBondContact O-N 3.21Å; C18-L22 WeakPolarHBondContact O-CB 3.43Å; C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.2Å
19	Y	87	Confident	77.8	Confident	172 Å²	172	108.6 Å²	108.6	68%	0.675	55%	0.546	S	S	*	.	H	α-helix	trans	-64.3	-41.1	176.4	-80.9	-66	0	0	0	112.3	A15 L16 L21 L22 A23	A15-Y19 WeakPolarHBondContact O-CD2 3.48Å; A15-Y19 PolarHBondContact O-N 3.2Å; L16-Y19 PolarHBondContact O-N 3.09Å; Y19-L21 VanDerWaalsContact C-N 3.35Å; Y19-L22 PolarHBondContact O-N 3.17Å; Y19-A23 WeakPolarHBondContact O-CB 3.39Å; Y19-A23 PolarHBondContact O-N 2.83Å
20	M	85.1	Confident	77.7	Confident	111 Å²	111	102.6 Å²	102.6	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-39.9	175	-72	-64.1	-68	0	0	111.6	L16 G17 A23 I24	L16-M20 HydrophobicContact CD2-CG 4.39Å; L16-M20 WeakPolarHBondContact O-CB 3.37Å; L16-M20 VanDerWaalsContact O-CG 3.28Å; L16-M20 WeakPolarHBondContact O-CG 3.26Å; L16-M20 PolarHBondContact O-N 3.21Å; G17-M20 PolarHBondContact O-N 3.27Å; M20-A23 PolarHBondContact O-N 3.44Å; M20-I24 WeakPolarHBondContact O-CB 3.03Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 WeakPolarHBondContact O-CG1 3.42Å; M20-I24 PolarHBondContact O-N 3.45Å
21	L	86.8	Confident	77.3	Confident	116 Å²	116	102.1 Å²	102.1	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-43.2	177.1	-134.3	148.7	0	0	0	111.2	G17 C18 Y19 I24 V25	G17-L21 WeakPolarHBondContact O-CB 3.45Å; G17-L21 PolarHBondContact O-N 2.72Å; C18-L21 PolarHBondContact O-N 3.21Å; Y19-L21 VanDerWaalsContact C-N 3.35Å; L21-I24 PolarHBondContact O-N 3.46Å; L21-V25 HydrophobicContact CD2-CG2 4.28Å; L21-V25 WeakPolarHBondContact O-CB 3.5Å; L21-V25 VanDerWaalsContact O-CG2 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.33Å; L21-V25 PolarHBondContact O-N 3.16Å
22	L	85.8	Confident	76.7	Confident	117 Å²	117	105 Å²	105	61%	0.613	54%	0.539	S	S	*	.	H	α-helix	trans	-61.6	-42.5	172.8	-77.1	168	0	0	0	112.1	C18 Y19 V25 A26	C18-L22 WeakPolarHBondContact O-CB 3.43Å; C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.2Å; Y19-L22 PolarHBondContact O-N 3.17Å; L22-V25 PolarHBondContact O-N 2.97Å; L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.27Å
23	A	81.1	Confident	75.9	Confident	57 Å²	57	100.5 Å²	100.5	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-41.3	177	0	0	0	0	0	112	Y19 M20 A26 L27	Y19-A23 WeakPolarHBondContact O-CB 3.39Å; Y19-A23 PolarHBondContact O-N 2.83Å; M20-A23 PolarHBondContact O-N 3.44Å; A23-A26 PolarHBondContact O-N 3.18Å; A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.44Å; A23-L27 PolarHBondContact O-N 3Å
24	I	82.1	Confident	75	Confident	88 Å²	88	102.3 Å²	102.3	45%	0.451	53%	0.529	S	S	.	.	H	α-helix	trans	-66	-41.7	175.7	-68.8	163.8	0	0	0	110.9	M20 L21 L27 K28	M20-I24 WeakPolarHBondContact O-CB 3.03Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 WeakPolarHBondContact O-CG1 3.42Å; M20-I24 PolarHBondContact O-N 3.45Å; L21-I24 PolarHBondContact O-N 3.46Å; I24-L27 PolarHBondContact O-N 2.97Å; I24-K28 HydrophobicContact CG2-CD 4.47Å; I24-K28 WeakPolarHBondContact O-CB 3.2Å; I24-K28 WeakPolarHBondContact O-CG 3.49Å; I24-K28 PolarHBondContact O-N 3.32Å
25	V	79.4	Confident	74.1	Confident	67 Å²	67	96.5 Å²	96.5	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-45.3	176.1	170.6	0	0	0	0	110.4	L21 L22 L27 K28 L29	L21-V25 HydrophobicContact CD2-CG2 4.28Å; L21-V25 WeakPolarHBondContact O-CB 3.5Å; L21-V25 VanDerWaalsContact O-CG2 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.33Å; L21-V25 PolarHBondContact O-N 3.16Å; L22-V25 PolarHBondContact O-N 2.97Å; V25-L27 PolarHBondContact O-N 3.31Å; V25-K28 PolarHBondContact O-N 3.33Å; V25-L29 HydrophobicContact CG1-CD1 3.66Å; V25-L29 WeakPolarHBondContact O-CB 3.47Å; V25-L29 WeakPolarHBondContact O-CD1 3.43Å; V25-L29 PolarHBondContact O-N 2.79Å
26	A	75.2	Confident	72.9	Confident	59 Å²	59	98.7 Å²	98.7	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-42.7	175.9	0	0	0	0	0	111.9	L22 A23 L29 S30	L22-A26 VanDerWaalsContact O-CB 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.27Å; A23-A26 PolarHBondContact O-N 3.18Å; A26-L29 PolarHBondContact O-N 2.71Å; A26-S30 WeakPolarHBondContact O-CB 3.35Å; A26-S30 PolarHBondContact O-N 3.04Å
27	L	72.8	Confident	71.4	Confident	108 Å²	108	98.1 Å²	98.1	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-45.4	176.6	-165.1	77.4	0	0	0	111	A23 I24 V25 L29 S30 L31	A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.44Å; A23-L27 PolarHBondContact O-N 3Å; I24-L27 PolarHBondContact O-N 2.97Å; V25-L27 PolarHBondContact O-N 3.31Å; L27-L29 PolarHBondContact O-N 3.27Å; L27-S30 WeakPolarHBondContact CA-OG 3.37Å; L27-S30 PolarHBondContact O-N 2.63Å; L27-S30 PolarHBondContact O-OG 3.3Å; L27-L31 HydrophobicContact CG-CD1 4.12Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.9Å
28	K	66.5	Low	69.7	Low	144 Å²	144	103 Å²	103	63%	0.626	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-39.1	175.4	-81.8	-171.5	174.6	-175.1	0	112.6	I24 V25 R32	I24-K28 HydrophobicContact CG2-CD 4.47Å; I24-K28 WeakPolarHBondContact O-CB 3.2Å; I24-K28 WeakPolarHBondContact O-CG 3.49Å; I24-K28 PolarHBondContact O-N 3.32Å; V25-K28 PolarHBondContact O-N 3.33Å; K28-R32 WeakPolarHBondContact O-CB 3.44Å; K28-R32 PolarHBondContact O-N 3.47Å
29	L	64.1	Low	68.1	Low	95 Å²	95	104.5 Å²	104.5	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-44.9	172.3	-102	114.4	0	0	0	110.9	V25 A26 L27 L31 R32 L33	V25-L29 HydrophobicContact CG1-CD1 3.66Å; V25-L29 WeakPolarHBondContact O-CB 3.47Å; V25-L29 WeakPolarHBondContact O-CD1 3.43Å; V25-L29 PolarHBondContact O-N 2.79Å; A26-L29 PolarHBondContact O-N 2.71Å; L27-L29 PolarHBondContact O-N 3.27Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.72Å; L29-R32 CarbonylContact O-C 3.58Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-L33 HydrophobicContact CB-CD1 4.49Å; L29-L33 HydrophobicContact CD2-CD1 4.34Å; L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 WeakPolarHBondContact O-CD1 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 2.88Å
30	S	61.8	Low	66.6	Low	63 Å²	63	97.5 Å²	97.5	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-38.3	178.5	77.9	0	0	0	0	112.5	A26 L27 L33 K34	A26-S30 WeakPolarHBondContact O-CB 3.35Å; A26-S30 PolarHBondContact O-N 3.04Å; L27-S30 WeakPolarHBondContact CA-OG 3.37Å; L27-S30 PolarHBondContact O-N 2.63Å; L27-S30 PolarHBondContact O-OG 3.3Å; S30-L33 PolarHBondContact O-N 2.78Å; S30-K34 PolarHBondContact O-N 2.85Å
31	L	61	Low	65	Low	109 Å²	109	93.7 Å²	93.7	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-70.2	-36.7	175.1	-74.5	161.4	0	0	0	111.6	L27 L29 L33 K34	L27-L31 HydrophobicContact CG-CD1 4.12Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.9Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.72Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-K34 PolarHBondContact O-N 2.91Å
32	R	57.8	Low	63.5	Low	188 Å²	188	91.1 Å²	91.1	71%	0.709	49%	0.492	S	S	*	.	H	α-helix	trans	-70.2	-22.7	170.8	-89.5	-171.8	178.3	-174.4	-0.8	113.9	K28 L29 Q48	K28-R32 WeakPolarHBondContact O-CB 3.44Å; K28-R32 PolarHBondContact O-N 3.47Å; L29-R32 CarbonylContact O-C 3.58Å; L29-R32 PolarHBondContact O-N 3.42Å; R32-Q48 WeakPolarHBondContact O-CG 3.39Å; R32-Q48 PolarHBondContact O-NE2 2.89Å
33	L	56.8	Low	62	Low	80 Å²	80	92.2 Å²	92.2	42%	0.419	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.4	178.2	-78.8	153.9	0	0	0	112.5	L29 S30 L31 C35 Y51	L29-L33 HydrophobicContact CB-CD1 4.49Å; L29-L33 HydrophobicContact CD2-CD1 4.34Å; L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 WeakPolarHBondContact O-CD1 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 2.88Å; S30-L33 PolarHBondContact O-N 2.78Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L33-C35 PolarHBondContact O-N 3.03Å; L33-Y51 HydrophobicContact CD2-CD1 3.99Å; L33-Y51 HydrophobicContact CD2-CE1 3.31Å; L33-Y51 HydrophobicContact CD2-CE2 4.35Å
34	K	57.8	Low	60.7	Low	157 Å²	157	91.2 Å²	91.2	68%	0.683	48%	0.484	S	S	*	.			trans	-74.5	113.1	176.4	-159.2	174.1	-177	-176.5	0	108.8	S30 L31	S30-K34 PolarHBondContact O-N 2.85Å; L31-K34 PolarHBondContact O-N 2.91Å
35	C	59.4	Low	59.5	Low	57 Å²	57	98.7 Å²	98.7	39%	0.385	51%	0.506	S	S	.	.			trans	-82.2	115.9	176.4	-59.2	0	0	0	0	109.2	L33 C52	L33-C35 PolarHBondContact O-N 3.03Å; C35-C52 VanDerWaalsContact CA-SG 3.51Å; C35-C52 HydrophobicContact CB-CB 3.73Å; C35-C52 WeakPolarHBondContact CB-SG 3.21Å; C35-C52 WeakPolarHBondContact SG-CA 3.5Å; C35-C52 WeakPolarHBondContact SG-CB 3.3Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 3.11Å
36	D	56	Low	58.7	Low	90 Å²	90	101.7 Å²	101.7	48%	0.481	52%	0.516	S	S	.	.			trans	-97.2	153.4	167.7	-155.5	-17.2	0	0	0	109.6	D38 H39	D36-D38 PolarHBondContact O-N 2.69Å; D36-H39 PolarHBondContact O-N 2.79Å
37	S	52.5	Low	57.8	Low	81 Å²	81	107 Å²	107	57%	0.566	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-58.8	-33.1	176.6	47.1	0	0	0	0	112	H39 L40	S37-H39 VanDerWaalsContact C-N 3.27Å; S37-H39 PolarHBondContact O-N 3.4Å; S37-L40 PolarHBondContact O-N 3.27Å
38	D	49.9	Very low	57.3	Low	140 Å²	140	104.4 Å²	104.4	75%	0.749	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-71.2	-22.3	178.2	-67.6	-11.5	0	0	0	112.7	D36	D36-D38 PolarHBondContact O-N 2.69Å
39	H	50.7	Low	57.3	Low	96 Å²	96	97.7 Å²	97.7	44%	0.444	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-85.4	-2	178.7	-90.6	-61.4	0	0	0	114.3	D36 S37 G41	D36-H39 PolarHBondContact O-N 2.79Å; S37-H39 VanDerWaalsContact C-N 3.27Å; S37-H39 PolarHBondContact O-N 3.4Å; H39-G41 PolarHBondContact O-N 2.96Å; H39-G41 VanDerWaalsContact O-N 3.15Å
40	L	55.1	Low	57.4	Low	24 Å²	24	98.7 Å²	98.7	13%	0.126	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-76	9.7	172.9	-70.6	164.7	0	0	0	113.4	S37 L42 C52 R53 L56 F122	S37-L40 PolarHBondContact O-N 3.27Å; L40-L42 PolarHBondContact O-N 3.35Å; L40-L42 VanDerWaalsContact O-N 3.16Å; L40-C52 HydrophobicContact CD2-CB 4.32Å; L40-R53 HydrophobicContact CD2-CG 3.86Å; L40-R53 PolarHBondContact O-NH2 3.15Å; L40-L56 HydrophobicContact CD1-CD2 3.4Å; L40-L56 VanDerWaalsContact CD1-CD2 3.4Å; L40-L56 HydrophobicContact CD2-CD2 3.65Å; L40-L56 HydrophobicContact CG-CD2 4.18Å; L40-F122 HydrophobicContact CD1-CD1 4.44Å; L40-F122 HydrophobicContact CD1-CD2 3.91Å; L40-F122 HydrophobicContact CD1-CE1 4.48Å; L40-F122 HydrophobicContact CD1-CE2 3.94Å; L40-F122 HydrophobicContact CD1-CG 4.22Å; L40-F122 HydrophobicContact CD1-CZ 4.29Å
41	G	53.2	Low	57.8	Low	31 Å²	31	100.2 Å²	100.2	32%	0.32	48%	0.484	S	S	.	.			trans	-15.7	107.5	-179.7	0	0	0	0	0	112.8	H39 E43 S44 R53	H39-G41 PolarHBondContact O-N 2.96Å; H39-G41 VanDerWaalsContact O-N 3.15Å; G41-E43 PolarHBondContact O-N 2.83Å; G41-S44 PolarHBondContact O-N 2.85Å; G41-R53 PolarHBondContact O-NH2 2.96Å
42	L	54.5	Low	58.3	Low	63 Å²	63	95.2 Å²	95.2	33%	0.33	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-17.7	-162.4	-67.9	159.3	0	0	0	114.3	L40 R53 P123 L124 V129	L40-L42 PolarHBondContact O-N 3.35Å; L40-L42 VanDerWaalsContact O-N 3.16Å; L42-R53 PolarHBondContact O-NH2 3.46Å; L42-P123 HydrophobicContact CD2-CB 4.21Å; L42-P123 WeakPolarHBondContact CD2-O 3.43Å; L42-L124 VanDerWaalsContact CD2-C 3.46Å; L42-V129 HydrophobicContact CD1-CG2 4.36Å
43	E	53.9	Low	58.9	Low	140 Å²	140	88.9 Å²	88.9	65%	0.654	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	3.6	178.6	-65.2	177.1	174	0	0	114.8	G41 R45	G41-E43 PolarHBondContact O-N 2.83Å; E43-R45 PolarHBondContact O-N 3.37Å; E43-R45 VanDerWaalsContact O-N 3.13Å
44	S	55.2	Low	59.8	Low	36 Å²	36	89.2 Å²	89.2	25%	0.252	44%	0.436	S	S	.	.			trans	-68.2	115.5	-179	175	0	0	0	0	110.4	G41 E46 S49	G41-S44 PolarHBondContact O-N 2.85Å; S44-E46 PolarHBondContact O-N 3.21Å; S44-E46 WeakPolarHBondContact OG-CB 3.36Å; S44-E46 WeakPolarHBondContact OG-CG 3.33Å; S44-E46 PolarHBondContact OG-N 3.27Å; S44-E46 PolarHBondContact OG-OE2 3.41Å; S44-S49 PolarHBondContact O-OG 3.03Å
45	R	56	Low	60.8	Low	245 Å²	245	85.5 Å²	85.5	93%	0.925	42%	0.423	S	S	*	.			trans	-79.2	9.1	169.6	-65.4	-174	-180	-173.9	0.2	112.6	E43	E43-R45 PolarHBondContact O-N 3.37Å; E43-R45 VanDerWaalsContact O-N 3.13Å
46	E	61.9	Low	61.6	Low	129 Å²	129	84.6 Å²	84.6	60%	0.603	41%	0.414	S	S	*	.			trans	-64.3	138.1	176.2	-66.2	169.7	155.3	0	0	110.1	S44 Q48 S49 Q50	S44-E46 PolarHBondContact O-N 3.21Å; S44-E46 WeakPolarHBondContact OG-CB 3.36Å; S44-E46 WeakPolarHBondContact OG-CG 3.33Å; S44-E46 PolarHBondContact OG-N 3.27Å; S44-E46 PolarHBondContact OG-OE2 3.41Å; E46-Q48 PolarHBondContact O-N 3.05Å; E46-Q48 VanDerWaalsContact O-N 3.1Å; E46-S49 WeakPolarHBondContact O-CB 3.36Å; E46-S49 PolarHBondContact O-N 3.12Å; E46-Q50 PolarHBondContact O-N 3.35Å; E46-Q50 VanDerWaalsContact O-N 3.15Å
47	F	57.6	Low	62.6	Low	170 Å²	170	84.8 Å²	84.8	75%	0.746	41%	0.408	S	S	*	.	H	α-helix	trans	-51.8	-36.9	-178.4	179.4	-96.6	0	0	0	113.2	Q50 Y51	F47-Q50 PolarHBondContact O-N 3.43Å; F47-Y51 WeakPolarHBondContact O-CB 3.3Å; F47-Y51 PolarHBondContact O-N 3.3Å
48	Q	62.3	Low	63.9	Low	54 Å²	54	85.3 Å²	85.3	25%	0.252	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-41.2	178.4	-170.8	179.9	-20	0	0	112.4	R32 E46 Y51 C52	R32-Q48 WeakPolarHBondContact O-CG 3.39Å; R32-Q48 PolarHBondContact O-NE2 2.89Å; E46-Q48 PolarHBondContact O-N 3.05Å; E46-Q48 VanDerWaalsContact O-N 3.1Å; Q48-Y51 PolarHBondContact O-N 3.46Å; Q48-C52 WeakPolarHBondContact O-CB 3.31Å; Q48-C52 PolarHBondContact O-N 3.35Å; Q48-C52 PolarHBondContact O-SG 3.39Å; Q48-C52 VanDerWaalsContact O-SG 3.38Å
49	S	65.6	Low	65.4	Low	4 Å²	4	81.3 Å²	81.3	3%	0.028	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-44.5	174.8	171.7	0	0	0	0	110.9	S44 E46 C52 R53	S44-S49 PolarHBondContact O-OG 3.03Å; E46-S49 WeakPolarHBondContact O-CB 3.36Å; E46-S49 PolarHBondContact O-N 3.12Å; S49-C52 PolarHBondContact O-N 2.79Å; S49-R53 WeakPolarHBondContact O-CB 3.47Å; S49-R53 VanDerWaalsContact O-CG 3.23Å; S49-R53 WeakPolarHBondContact O-CG 3.46Å; S49-R53 PolarHBondContact O-N 3.41Å; S49-R53 PolarHBondContact OG-NE 2.96Å
50	Q	66.8	Low	66.9	Low	115 Å²	115	78.2 Å²	78.2	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.4	-168.4	176.1	14	0	0	112.7	E46 F47 R53 N54	E46-Q50 PolarHBondContact O-N 3.35Å; E46-Q50 VanDerWaalsContact O-N 3.15Å; F47-Q50 PolarHBondContact O-N 3.43Å; Q50-R53 PolarHBondContact O-N 2.87Å; Q50-N54 WeakPolarHBondContact O-CB 3.37Å; Q50-N54 VanDerWaalsContact O-CG 3.29Å; Q50-N54 PolarHBondContact O-N 2.88Å; Q50-N54 PolarHBondContact O-ND2 2.92Å
51	Y	70.3	Confident	68.3	Low	96 Å²	96	83.3 Å²	83.3	38%	0.376	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-48.3	174.6	175.1	-98.9	0	0	0	111.9	L33 F47 Q48 N54 I55	L33-Y51 HydrophobicContact CD2-CD1 3.99Å; L33-Y51 HydrophobicContact CD2-CE1 3.31Å; L33-Y51 HydrophobicContact CD2-CE2 4.35Å; F47-Y51 WeakPolarHBondContact O-CB 3.3Å; F47-Y51 PolarHBondContact O-N 3.3Å; Q48-Y51 PolarHBondContact O-N 3.46Å; Y51-N54 PolarHBondContact O-N 3.36Å; Y51-I55 HydrophobicContact CD1-CD1 3.96Å; Y51-I55 HydrophobicContact CE1-CD1 3.29Å; Y51-I55 HydrophobicContact CE1-CG1 4.37Å; Y51-I55 HydrophobicContact CE2-CD1 4.08Å; Y51-I55 PolarHBondContact O-N 3.28Å
52	C	70.8	Confident	69.7	Low	3 Å²	3	86.8 Å²	86.8	2%	0.02	41%	0.406	C	S	.	.	H	α-helix	trans	-63.8	-42.2	178.9	-74.1	0	0	0	0	112.7	C35 L40 Q48 S49 N54 I55 L56	C35-C52 VanDerWaalsContact CA-SG 3.51Å; C35-C52 HydrophobicContact CB-CB 3.73Å; C35-C52 WeakPolarHBondContact CB-SG 3.21Å; C35-C52 WeakPolarHBondContact SG-CA 3.5Å; C35-C52 WeakPolarHBondContact SG-CB 3.3Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 3.11Å; L40-C52 HydrophobicContact CD2-CB 4.32Å; Q48-C52 WeakPolarHBondContact O-CB 3.31Å; Q48-C52 PolarHBondContact O-N 3.35Å; Q48-C52 PolarHBondContact O-SG 3.39Å; Q48-C52 VanDerWaalsContact O-SG 3.38Å; S49-C52 PolarHBondContact O-N 2.79Å; C52-N54 VanDerWaalsContact C-N 3.34Å; C52-N54 PolarHBondContact O-N 3.22Å; C52-I55 PolarHBondContact O-N 2.85Å; C52-L56 VanDerWaalsContact O-CB 3.28Å; C52-L56 WeakPolarHBondContact O-CB 3.36Å; C52-L56 PolarHBondContact O-N 3.33Å
53	R	71.7	Confident	70.7	Confident	56 Å²	56	88.9 Å²	88.9	21%	0.211	42%	0.424	C	S	.	.	H	α-helix	trans	-58.8	-44.1	172.9	-74.4	169.1	178.8	-149.2	-5.1	112.1	L40 G41 L42 S49 Q50 L56 Y57	L40-R53 HydrophobicContact CD2-CG 3.86Å; L40-R53 PolarHBondContact O-NH2 3.15Å; G41-R53 PolarHBondContact O-NH2 2.96Å; L42-R53 PolarHBondContact O-NH2 3.46Å; S49-R53 WeakPolarHBondContact O-CB 3.47Å; S49-R53 VanDerWaalsContact O-CG 3.23Å; S49-R53 WeakPolarHBondContact O-CG 3.46Å; S49-R53 PolarHBondContact O-N 3.41Å; S49-R53 PolarHBondContact OG-NE 2.96Å; Q50-R53 PolarHBondContact O-N 2.87Å; R53-L56 PolarHBondContact O-N 2.83Å; R53-Y57 HydrophobicContact CB-CD2 4.37Å; R53-Y57 HydrophobicContact CB-CE2 4.05Å; R53-Y57 WeakPolarHBondContact O-CB 3.39Å; R53-Y57 WeakPolarHBondContact O-CD2 3.34Å; R53-Y57 VanDerWaalsContact O-CG 3.28Å; R53-Y57 PolarHBondContact O-N 3.42Å
54	N	75	Confident	71.5	Confident	86 Å²	86	84.4 Å²	84.4	46%	0.46	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-43	179	-76.3	-21.6	0	0	0	112.3	Q50 Y51 C52 L56 N58	Q50-N54 WeakPolarHBondContact O-CB 3.37Å; Q50-N54 VanDerWaalsContact O-CG 3.29Å; Q50-N54 PolarHBondContact O-N 2.88Å; Q50-N54 PolarHBondContact O-ND2 2.92Å; Y51-N54 PolarHBondContact O-N 3.36Å; C52-N54 VanDerWaalsContact C-N 3.34Å; C52-N54 PolarHBondContact O-N 3.22Å; N54-L56 VanDerWaalsContact C-N 3.31Å; N54-L56 PolarHBondContact O-N 3.47Å; N54-N58 VanDerWaalsContact O-CB 3.29Å; N54-N58 WeakPolarHBondContact O-CB 3.1Å; N54-N58 PolarHBondContact O-N 3.38Å; N54-N58 PolarHBondContact O-ND2 2.98Å
55	I	77.9	Confident	72	Confident	80 Å²	80	92.7 Å²	92.7	41%	0.41	44%	0.442	S	S	.	.	H	α-helix	trans	-59.3	-47	173.7	-71.5	179.9	0	0	0	110.3	Y51 C52 N58 S59	Y51-I55 HydrophobicContact CD1-CD1 3.96Å; Y51-I55 HydrophobicContact CE1-CD1 3.29Å; Y51-I55 HydrophobicContact CE1-CG1 4.37Å; Y51-I55 HydrophobicContact CE2-CD1 4.08Å; Y51-I55 PolarHBondContact O-N 3.28Å; C52-I55 PolarHBondContact O-N 2.85Å; I55-N58 PolarHBondContact O-N 3.32Å; I55-S59 PolarHBondContact O-N 3.28Å
56	L	76.6	Confident	72.6	Confident	38 Å²	38	86.2 Å²	86.2	20%	0.199	42%	0.417	C	S	.	.	H	α-helix	trans	-63.9	-49.6	-177.3	-175.8	52.1	0	0	0	112	L40 C52 R53 N54 N58 S59 L60 F122	L40-L56 HydrophobicContact CD1-CD2 3.4Å; L40-L56 VanDerWaalsContact CD1-CD2 3.4Å; L40-L56 HydrophobicContact CD2-CD2 3.65Å; L40-L56 HydrophobicContact CG-CD2 4.18Å; C52-L56 VanDerWaalsContact O-CB 3.28Å; C52-L56 WeakPolarHBondContact O-CB 3.36Å; C52-L56 PolarHBondContact O-N 3.33Å; R53-L56 PolarHBondContact O-N 2.83Å; N54-L56 VanDerWaalsContact C-N 3.31Å; N54-L56 PolarHBondContact O-N 3.47Å; L56-N58 VanDerWaalsContact C-N 3.29Å; L56-N58 PolarHBondContact O-N 2.9Å; L56-S59 WeakPolarHBondContact O-CA 3.25Å; L56-S59 WeakPolarHBondContact O-CB 3.31Å; L56-S59 PolarHBondContact O-N 3.21Å; L56-S59 PolarHBondContact O-OG 3.33Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.44Å; L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.04Å; L56-F122 HydrophobicContact CD1-CE1 4.08Å; L56-F122 HydrophobicContact CD1-CZ 4.15Å; L56-F122 HydrophobicContact CD2-CE1 3.53Å; L56-F122 HydrophobicContact CD2-CE2 3.64Å; L56-F122 HydrophobicContact CD2-CZ 3.03Å; L56-F122 HydrophobicContact CG-CE1 4.11Å; L56-F122 HydrophobicContact CG-CZ 3.67Å
57	Y	78	Confident	73.2	Confident	94 Å²	94	85.9 Å²	85.9	37%	0.369	43%	0.43	S	S	.	.	H	α-helix	trans	-61.1	-38.2	175.3	-65.6	-36.3	0	0	0	112.2	R53 S59 L60 K61 L124	R53-Y57 HydrophobicContact CB-CD2 4.37Å; R53-Y57 HydrophobicContact CB-CE2 4.05Å; R53-Y57 WeakPolarHBondContact O-CB 3.39Å; R53-Y57 WeakPolarHBondContact O-CD2 3.34Å; R53-Y57 VanDerWaalsContact O-CG 3.28Å; R53-Y57 PolarHBondContact O-N 3.42Å; Y57-S59 VanDerWaalsContact C-N 3.31Å; Y57-S59 PolarHBondContact O-N 3.28Å; Y57-L60 HydrophobicContact CD1-CD1 4.47Å; Y57-L60 PolarHBondContact O-N 3.48Å; Y57-K61 PolarHBondContact O-N 3.45Å; Y57-L124 HydrophobicContact CE1-CD2 4Å
58	N	79.4	Confident	74.6	Confident	92 Å²	92	80.1 Å²	80.1	49%	0.492	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-37.8	172.5	-76.9	-33.7	0	0	0	112.1	N54 I55 L56 L60 K61	N54-N58 VanDerWaalsContact O-CB 3.29Å; N54-N58 WeakPolarHBondContact O-CB 3.1Å; N54-N58 PolarHBondContact O-N 3.38Å; N54-N58 PolarHBondContact O-ND2 2.98Å; I55-N58 PolarHBondContact O-N 3.32Å; L56-N58 VanDerWaalsContact C-N 3.29Å; L56-N58 PolarHBondContact O-N 2.9Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.15Å; N58-K61 WeakPolarHBondContact O-CB 3.43Å; N58-K61 PolarHBondContact O-N 3.1Å; N58-K61 WeakPolarHBondContact OD1-CE 3.41Å; N58-K61 PolarHBondContact OD1-NZ 2.91Å
59	S	80.6	Confident	75.9	Confident	55 Å²	55	81.3 Å²	81.3	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-71	-24.8	177.8	82.3	0	0	0	0	113.9	I55 L56 Y57 K118	I55-S59 PolarHBondContact O-N 3.28Å; L56-S59 WeakPolarHBondContact O-CA 3.25Å; L56-S59 WeakPolarHBondContact O-CB 3.31Å; L56-S59 PolarHBondContact O-N 3.21Å; L56-S59 PolarHBondContact O-OG 3.33Å; Y57-S59 VanDerWaalsContact C-N 3.31Å; Y57-S59 PolarHBondContact O-N 3.28Å; S59-K118 VanDerWaalsContact O-CD 3.32Å; S59-K118 WeakPolarHBondContact O-CD 3.38Å; S59-K118 WeakPolarHBondContact O-CE 3.25Å; S59-K118 PolarHBondContact O-NZ 2.97Å
60	L	83.3	Confident	77.1	Confident	32 Å²	32	84.4 Å²	84.4	17%	0.168	44%	0.435	C	S	.	.	H	α-helix	trans	-88.5	-7.9	177.8	-68.7	170.4	0	0	0	113	L56 Y57 N58 L62 K118 I120	L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.44Å; L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.04Å; Y57-L60 HydrophobicContact CD1-CD1 4.47Å; Y57-L60 PolarHBondContact O-N 3.48Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.15Å; L60-L62 PolarHBondContact O-N 3.46Å; L60-K118 HydrophobicContact CD2-CB 4.23Å; L60-I120 HydrophobicContact CD1-CG1 4.21Å
61	K	83	Confident	78.3	Confident	130 Å²	130	81.9 Å²	81.9	57%	0.565	43%	0.43	S	S	*	.			trans	-58.2	136.1	175.8	-79.7	175.8	176.6	169.2	0	110.4	Y57 N58 P63	Y57-K61 PolarHBondContact O-N 3.45Å; N58-K61 WeakPolarHBondContact O-CB 3.43Å; N58-K61 PolarHBondContact O-N 3.1Å; N58-K61 WeakPolarHBondContact OD1-CE 3.41Å; N58-K61 PolarHBondContact OD1-NZ 2.91Å; K61-P63 VanDerWaalsContact C-CD 3.43Å; K61-P63 WeakPolarHBondContact O-CD 3.32Å
62	L	84.1	Confident	79.5	Confident	105 Å²	105	77.3 Å²	77.3	55%	0.55	41%	0.412	S	S	.	.			trans	-106.3	78.5	172	-65.6	173.1	0	0	0	108.5	L60 K118	L60-L62 PolarHBondContact O-N 3.46Å; L62-K118 HydrophobicContact CD2-CB 4.1Å; L62-K118 HydrophobicContact CD2-CG 3.8Å
63	P	74.6	Confident	80.6	Confident	107 Å²	107	77.5 Å²	77.5	70%	0.695	41%	0.413	S	S	*	.			trans	-63.7	145.6	-179.4	28.3	-34.9	0	0	0	110.4	K61 K65	K61-P63 VanDerWaalsContact C-CD 3.43Å; K61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-K65 PolarHBondContact O-N 3.06Å
64	A	70.5	Confident	81.7	Confident	46 Å²	46	77.5 Å²	77.5	38%	0.38	42%	0.419	S	S	.	.			trans	-58.9	134.3	169.9	0	0	0	0	0	109.2	R66 I68	A64-R66 WeakPolarHBondContact CB-O 3Å; A64-R66 PolarHBondContact O-N 3.28Å; A64-R66 VanDerWaalsContact O-N 3.09Å; A64-I68 HydrophobicContact CB-CB 4.21Å
65	K	66	Low	82.7	Confident	209 Å²	209	81.5 Å²	81.5	91%	0.909	43%	0.428	S	S	*	.	S	Bend	trans	-65	-11	179	-69.3	-173	176.9	-175.4	0	113.5	P63	P63-K65 PolarHBondContact O-N 3.06Å
66	R	69	Low	83.4	Confident	109 Å²	109	79 Å²	79	41%	0.411	42%	0.422	S	S	.	.	S	Bend	trans	-135.6	169.8	179.6	-67.5	-174.3	179.1	-173	-1.5	109.4	A64 I68 E90	A64-R66 WeakPolarHBondContact CB-O 3Å; A64-R66 PolarHBondContact O-N 3.28Å; A64-R66 VanDerWaalsContact O-N 3.09Å; R66-I68 HydrophobicContact CB-CG1 4.49Å; R66-I68 PolarHBondContact O-N 3.42Å; R66-E90 IonicContact NH1-OE2 3.21Å
67	S	73.9	Confident	84.4	Confident	123 Å²	123	80.3 Å²	80.3	86%	0.86	43%	0.429	S	S	*	.	S	Bend	trans	-67.2	59.5	175.3	57.6	0	0	0	0	112.7
68	I	86.4	Confident	85.2	Confident	48 Å²	48	80.8 Å²	80.8	25%	0.246	44%	0.444	C	S	.	.			trans	-94.6	121.4	171	-61.6	178.4	0	0	0	107.2	A64 R66 C70 I73 A84 N87	A64-I68 HydrophobicContact CB-CB 4.21Å; R66-I68 HydrophobicContact CB-CG1 4.49Å; R66-I68 PolarHBondContact O-N 3.42Å; I68-C70 VanDerWaalsContact C-N 3.29Å; I68-C70 PolarHBondContact O-N 3.05Å; I68-I73 HydrophobicContact CG2-CD1 3.47Å; I68-I73 VanDerWaalsContact CG2-CD1 3.47Å; I68-A84 HydrophobicContact CG2-CB 4.35Å; I68-N87 HydrophobicContact CD1-CB 4.47Å
69	N	90.6	Very high	85.9	Confident	80 Å²	80	81.5 Å²	81.5	43%	0.428	44%	0.444	S	S	.	.			trans	-78.3	76.7	176.6	-176.9	5.8	0	0	0	110.7	S71 G72 I73 A80	N69-S71 PolarHBondContact O-N 3.08Å; N69-G72 PolarHBondContact O-N 2.92Å; N69-G72 VanDerWaalsContact O-N 3.07Å; N69-G72 PolarHBondContact OD1-N 2.89Å; N69-I73 WeakPolarHBondContact O-CG1 3.45Å; N69-I73 PolarHBondContact O-N 3.01Å; N69-A80 HydrophobicContact CB-CB 4.09Å
70	C	90.8	Very high	86.6	Confident	69 Å²	69	79.2 Å²	79.2	47%	0.466	43%	0.429	S	S	.	.	H	α-helix	trans	-55.1	-38.1	179.3	-67.2	0	0	0	0	112.7	I68 G72 I73 T74	I68-C70 VanDerWaalsContact C-N 3.29Å; I68-C70 PolarHBondContact O-N 3.05Å; C70-G72 PolarHBondContact O-N 2.93Å; C70-I73 PolarHBondContact O-N 3.15Å; C70-T74 WeakPolarHBondContact O-CG2 3.49Å; C70-T74 PolarHBondContact O-N 3.24Å; C70-T74 PolarHBondContact O-OG1 3.43Å; C70-T74 VanDerWaalsContact O-OG1 3.1Å
71	S	91.9	Very high	87.1	Confident	61 Å²	61	78.7 Å²	78.7	43%	0.427	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-37.7	177.7	176.2	0	0	0	0	112.7	N69 T74 R75	N69-S71 PolarHBondContact O-N 3.08Å; S71-T74 WeakPolarHBondContact CA-OG1 3.32Å; S71-T74 PolarHBondContact O-OG1 3.13Å; S71-T74 VanDerWaalsContact O-OG1 3.08Å; S71-R75 WeakPolarHBondContact O-CB 3.37Å; S71-R75 VanDerWaalsContact O-CG 3.31Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.14Å; S71-R75 PolarHBondContact O-NE 2.81Å; S71-R75 PolarHBondContact OG-NE 3.35Å; S71-R75 PolarHBondContact OG-NH2 3.05Å
72	G	94.9	Very high	87.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63.5	-48.4	172.4	0	0	0	0	0	111.2	N69 C70 T74 R75 G76 D77	N69-G72 PolarHBondContact O-N 2.92Å; N69-G72 VanDerWaalsContact O-N 3.07Å; N69-G72 PolarHBondContact OD1-N 2.89Å; C70-G72 PolarHBondContact O-N 2.93Å; G72-T74 PolarHBondContact O-N 3.35Å; G72-R75 CarbonylContact O-C 3.46Å; G72-R75 WeakPolarHBondContact O-CA 3.5Å; G72-R75 PolarHBondContact O-N 2.72Å; G72-G76 PolarHBondContact O-N 3.49Å; G72-D77 WeakPolarHBondContact O-CB 3.5Å; G72-D77 PolarHBondContact O-N 3.24Å
73	I	94.6	Very high	87.8	Confident	8 Å²	8	76.8 Å²	76.8	4%	0.041	42%	0.415	C	S	.	.	H	α-helix	trans	-57.9	-48.7	179.3	-61	164.5	0	0	0	111.5	I68 N69 C70 R75 G76 A80 V81 A84 A395 L398	I68-I73 HydrophobicContact CG2-CD1 3.47Å; I68-I73 VanDerWaalsContact CG2-CD1 3.47Å; N69-I73 WeakPolarHBondContact O-CG1 3.45Å; N69-I73 PolarHBondContact O-N 3.01Å; C70-I73 PolarHBondContact O-N 3.15Å; I73-R75 PolarHBondContact O-N 3.47Å; I73-G76 PolarHBondContact O-N 3.36Å; I73-A80 HydrophobicContact CG1-CB 4.1Å; I73-V81 HydrophobicContact CG2-CG2 4.28Å; I73-A84 HydrophobicContact CD1-CB 3.39Å; I73-A84 HydrophobicContact CG1-CB 4.01Å; I73-A395 HydrophobicContact CG2-CB 4.34Å; I73-A395 VanDerWaalsContact CG2-O 3.28Å; I73-A395 WeakPolarHBondContact CG2-O 3.15Å; I73-L398 HydrophobicContact CG2-CB 4.21Å; I73-L398 HydrophobicContact CG2-CD1 3.78Å
74	T	94.1	Very high	88.5	Confident	55 Å²	55	71.8 Å²	71.8	34%	0.337	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-23.5	179.6	53.8	0	0	0	0	112.9	C70 S71 G72 H399 L402	C70-T74 WeakPolarHBondContact O-CG2 3.49Å; C70-T74 PolarHBondContact O-N 3.24Å; C70-T74 PolarHBondContact O-OG1 3.43Å; C70-T74 VanDerWaalsContact O-OG1 3.1Å; S71-T74 WeakPolarHBondContact CA-OG1 3.32Å; S71-T74 PolarHBondContact O-OG1 3.13Å; S71-T74 VanDerWaalsContact O-OG1 3.08Å; G72-T74 PolarHBondContact O-N 3.35Å; T74-H399 PolarHBondContact O-ND1 3.39Å; T74-L402 HydrophobicContact CG2-CD1 3.59Å
75	R	96	Very high	89.3	Confident	170 Å²	170	72.7 Å²	72.7	64%	0.642	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0.1	174.3	-73.5	-173.1	-69.9	166.7	-2.3	113.6	S71 G72 I73 D77 H399	S71-R75 WeakPolarHBondContact O-CB 3.37Å; S71-R75 VanDerWaalsContact O-CG 3.31Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3.14Å; S71-R75 PolarHBondContact O-NE 2.81Å; S71-R75 PolarHBondContact OG-NE 3.35Å; S71-R75 PolarHBondContact OG-NH2 3.05Å; G72-R75 CarbonylContact O-C 3.46Å; G72-R75 WeakPolarHBondContact O-CA 3.5Å; G72-R75 PolarHBondContact O-N 2.72Å; I73-R75 PolarHBondContact O-N 3.47Å; R75-D77 VanDerWaalsContact C-N 3.32Å; R75-H399 VanDerWaalsContact C-ND1 3.26Å; R75-H399 PolarHBondContact O-CE1 2.95Å
76	G	94.1	Very high	90.2	Very high	29 Å²	29	66.1 Å²	66.1	30%	0.299	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	21.5	-179.9	0	0	0	0	0	113.9	G72 I73 P78 H399	G72-G76 PolarHBondContact O-N 3.49Å; I73-G76 PolarHBondContact O-N 3.36Å; G76-P78 VanDerWaalsContact O-CD 3.24Å; G76-P78 WeakPolarHBondContact O-CD 3.46Å; G76-H399 PolarHBondContact N-ND1 3.19Å
77	D	96.9	Very high	90.8	Very high	65 Å²	65	62.3 Å²	62.3	35%	0.348	34%	0.343	S	S	.	.			trans	-62.1	114.4	174.6	173.3	16.7	0	0	0	109.9	G72 R75 E79 A80 V81	G72-D77 WeakPolarHBondContact O-CB 3.5Å; G72-D77 PolarHBondContact O-N 3.24Å; R75-D77 VanDerWaalsContact C-N 3.32Å; D77-E79 VanDerWaalsContact C-N 3.25Å; D77-E79 PolarHBondContact O-N 3.22Å; D77-E79 PolarHBondContact OD1-N 2.75Å; D77-A80 HydrophobicContact CB-CB 3.96Å; D77-A80 PolarHBondContact O-N 3.06Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; D77-V81 WeakPolarHBondContact O-CG2 3.43Å; D77-V81 PolarHBondContact O-N 3.12Å
78	P	94.8	Very high	91.1	Very high	103 Å²	103	59.5 Å²	59.5	67%	0.669	32%	0.318	S	S	*	.	H	α-helix	trans	-57.2	-37.9	-173.9	-26.5	35.6	0	0	0	113.2	G76 V81 F82	G76-P78 VanDerWaalsContact O-CD 3.24Å; G76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-V81 PolarHBondContact O-N 3.41Å; P78-F82 VanDerWaalsContact O-CB 3.27Å; P78-F82 WeakPolarHBondContact O-CB 3.47Å; P78-F82 PolarHBondContact O-N 3.49Å
79	E	94.7	Very high	90.7	Very high	108 Å²	108	62.3 Å²	62.3	51%	0.505	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-46.6	-179.6	-176.2	56.9	-146.2	0	0	110.6	D77 V81 F82 Q83	D77-E79 VanDerWaalsContact C-N 3.25Å; D77-E79 PolarHBondContact O-N 3.22Å; D77-E79 PolarHBondContact OD1-N 2.75Å; E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.19Å; E79-F82 PolarHBondContact O-N 2.75Å; E79-Q83 HydrophobicContact CG-CG 4.48Å; E79-Q83 WeakPolarHBondContact O-CB 3.2Å; E79-Q83 VanDerWaalsContact O-CG 3.27Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 2.9Å; E79-Q83 VanDerWaalsContact OE1-CG 3.32Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.37Å; E79-Q83 PolarHBondContact OE1-NE2 3.44Å
80	A	94.3	Very high	89.9	Confident	7 Å²	7	63.6 Å²	63.6	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-39.8	177	0	0	0	0	0	112.4	N69 I73 D77 A84	N69-A80 HydrophobicContact CB-CB 4.09Å; I73-A80 HydrophobicContact CG1-CB 4.1Å; D77-A80 HydrophobicContact CB-CB 3.96Å; D77-A80 PolarHBondContact O-N 3.06Å; D77-A80 WeakPolarHBondContact OD2-CB 3.39Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.03Å
81	V	93.3	Very high	89	Confident	21 Å²	21	62 Å²	62	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-47.8	176	171.9	0	0	0	0	110.9	I73 D77 P78 E79 Q83 A84 I85	I73-V81 HydrophobicContact CG2-CG2 4.28Å; D77-V81 WeakPolarHBondContact O-CG2 3.43Å; D77-V81 PolarHBondContact O-N 3.12Å; P78-V81 PolarHBondContact O-N 3.41Å; E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.19Å; V81-Q83 PolarHBondContact O-N 3.29Å; V81-A84 WeakPolarHBondContact O-CB 3.26Å; V81-A84 PolarHBondContact O-N 2.67Å; V81-A84 VanDerWaalsContact O-N 3.16Å; V81-I85 HydrophobicContact CG1-CD1 3.79Å; V81-I85 HydrophobicContact CG1-CG1 4.48Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.23Å
82	F	91.4	Very high	87.8	Confident	113 Å²	113	63.9 Å²	63.9	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-48.2	178.9	-178.2	-106	0	0	0	111.6	P78 E79 A84 I85 L86	P78-F82 VanDerWaalsContact O-CB 3.27Å; P78-F82 WeakPolarHBondContact O-CB 3.47Å; P78-F82 PolarHBondContact O-N 3.49Å; E79-F82 PolarHBondContact O-N 2.75Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 3.4Å; F82-I85 PolarHBondContact O-N 3.22Å; F82-L86 HydrophobicContact CD1-CD1 3.92Å; F82-L86 HydrophobicContact CD1-CG 4.48Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 4.14Å; F82-L86 HydrophobicContact CZ-CD1 3.77Å; F82-L86 HydrophobicContact CZ-CD2 4.36Å; F82-L86 HydrophobicContact CZ-CG 4.17Å; F82-L86 PolarHBondContact O-N 3.27Å
83	Q	90.6	Very high	86.5	Confident	81 Å²	81	72.6 Å²	72.6	38%	0.379	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-37.8	175.5	-68.5	-59.1	-28	0	0	112.3	E79 V81 N87	E79-Q83 HydrophobicContact CG-CG 4.48Å; E79-Q83 WeakPolarHBondContact O-CB 3.2Å; E79-Q83 VanDerWaalsContact O-CG 3.27Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 2.9Å; E79-Q83 VanDerWaalsContact OE1-CG 3.32Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.37Å; E79-Q83 PolarHBondContact OE1-NE2 3.44Å; V81-Q83 PolarHBondContact O-N 3.29Å; Q83-N87 WeakPolarHBondContact O-CB 3.36Å; Q83-N87 PolarHBondContact O-N 3.49Å; Q83-N87 PolarHBondContact O-ND2 3.22Å
84	A	89.5	Confident	85.6	Confident	3 Å²	3	79.5 Å²	79.5	3%	0.025	39%	0.393	C	S	.	.	H	α-helix	trans	-66.8	-40.5	176.6	0	0	0	0	0	112.4	I68 I73 A80 V81 F82 N87 N88 A395	I68-A84 HydrophobicContact CG2-CB 4.35Å; I73-A84 HydrophobicContact CD1-CB 3.39Å; I73-A84 HydrophobicContact CG1-CB 4.01Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.03Å; V81-A84 WeakPolarHBondContact O-CB 3.26Å; V81-A84 PolarHBondContact O-N 2.67Å; V81-A84 VanDerWaalsContact O-N 3.16Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 3.4Å; A84-N87 PolarHBondContact O-N 3.12Å; A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 2.86Å; A84-N88 PolarHBondContact O-ND2 3.15Å; A84-A395 HydrophobicContact CB-CB 3.9Å
85	I	86.9	Confident	84.9	Confident	64 Å²	64	81 Å²	81	33%	0.328	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-48.1	176.6	-68.9	164.4	0	0	0	110.1	V81 F82 N87 N88 L89	V81-I85 HydrophobicContact CG1-CD1 3.79Å; V81-I85 HydrophobicContact CG1-CG1 4.48Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.23Å; F82-I85 PolarHBondContact O-N 3.22Å; I85-N87 PolarHBondContact O-N 3.2Å; I85-N88 PolarHBondContact O-N 3.34Å; I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 2.88Å; I85-L89 VanDerWaalsContact O-N 3.13Å
86	L	85.2	Confident	84.3	Confident	72 Å²	72	79.7 Å²	79.7	38%	0.377	39%	0.394	S	S	.	.	H	α-helix	trans	-58.2	-48.9	176.2	-70.7	-178.8	0	0	0	111.9	F82 N88 L89 E90	F82-L86 HydrophobicContact CD1-CD1 3.92Å; F82-L86 HydrophobicContact CD1-CG 4.48Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 4.14Å; F82-L86 HydrophobicContact CZ-CD1 3.77Å; F82-L86 HydrophobicContact CZ-CD2 4.36Å; F82-L86 HydrophobicContact CZ-CG 4.17Å; F82-L86 PolarHBondContact O-N 3.27Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 2.72Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.24Å; L86-E90 PolarHBondContact O-N 2.88Å
87	N	82.5	Confident	83.9	Confident	28 Å²	28	80.5 Å²	80.5	15%	0.15	39%	0.394	C	S	.	.	H	α-helix	trans	-58.9	-40.2	176.6	-85.4	-68	0	0	0	112.2	I68 Q83 A84 I85 L89 E90 V91	I68-N87 HydrophobicContact CD1-CB 4.47Å; Q83-N87 WeakPolarHBondContact O-CB 3.36Å; Q83-N87 PolarHBondContact O-N 3.49Å; Q83-N87 PolarHBondContact O-ND2 3.22Å; A84-N87 PolarHBondContact O-N 3.12Å; I85-N87 PolarHBondContact O-N 3.2Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.14Å; N87-E90 PolarHBondContact O-N 3.1Å; N87-V91 WeakPolarHBondContact O-CB 3.48Å; N87-V91 VanDerWaalsContact O-CG2 3.24Å; N87-V91 WeakPolarHBondContact O-CG2 3.42Å; N87-V91 PolarHBondContact O-N 2.93Å
88	N	79.4	Confident	83.7	Confident	64 Å²	64	80.6 Å²	80.6	34%	0.342	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-33.9	179.5	-77.6	-24.7	0	0	0	112.5	A84 I85 L86 E90 V91 K92	A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 2.86Å; A84-N88 PolarHBondContact O-ND2 3.15Å; I85-N88 PolarHBondContact O-N 3.34Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 2.72Å; N88-E90 VanDerWaalsContact C-N 3.33Å; N88-V91 PolarHBondContact O-N 2.95Å; N88-K92 VanDerWaalsContact O-CB 3.32Å; N88-K92 WeakPolarHBondContact O-CB 3.36Å; N88-K92 WeakPolarHBondContact O-CG 3.28Å; N88-K92 PolarHBondContact O-N 2.83Å
89	L	78	Confident	83.7	Confident	107 Å²	107	79.3 Å²	79.3	56%	0.56	38%	0.382	S	S	*	.	H	α-helix	trans	-63.6	-38.9	175.1	-68.2	170.6	0	0	0	111.8	I85 L86 N87	I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 2.88Å; I85-L89 VanDerWaalsContact O-N 3.13Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.24Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.14Å
90	E	74.1	Confident	83.9	Confident	107 Å²	107	75.8 Å²	75.8	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-72.1	-43.1	174.5	-63.5	-171.2	168.4	0	0	112.7	R66 L86 N87 N88 K93	R66-E90 IonicContact NH1-OE2 3.21Å; L86-E90 PolarHBondContact O-N 2.88Å; N87-E90 PolarHBondContact O-N 3.1Å; N88-E90 VanDerWaalsContact C-N 3.33Å; E90-K93 PolarHBondContact O-N 3.3Å
91	V	71.1	Confident	84	Confident	36 Å²	36	79.6 Å²	79.6	22%	0.218	39%	0.389	C	S	.	.	H	α-helix	trans	-69.6	-37.6	-176.3	171.2	0	0	0	0	111.2	N87 N88 K93 K94 R95	N87-V91 WeakPolarHBondContact O-CB 3.48Å; N87-V91 VanDerWaalsContact O-CG2 3.24Å; N87-V91 WeakPolarHBondContact O-CG2 3.42Å; N87-V91 PolarHBondContact O-N 2.93Å; N88-V91 PolarHBondContact O-N 2.95Å; V91-K93 PolarHBondContact O-N 2.98Å; V91-K93 VanDerWaalsContact O-N 3.12Å; V91-K94 PolarHBondContact O-N 3.21Å; V91-R95 HydrophobicContact CG1-CB 3.87Å; V91-R95 WeakPolarHBondContact O-CB 3.33Å; V91-R95 PolarHBondContact O-N 3.06Å
92	K	67.4	Low	84.2	Confident	100 Å²	100	82 Å²	82	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-53.5	-33.1	175.1	-87.7	-177	176.9	-178.4	0	112.1	N88	N88-K92 VanDerWaalsContact O-CB 3.32Å; N88-K92 WeakPolarHBondContact O-CB 3.36Å; N88-K92 WeakPolarHBondContact O-CG 3.28Å; N88-K92 PolarHBondContact O-N 2.83Å
93	K	68.1	Low	84.5	Confident	184 Å²	184	76.7 Å²	76.7	80%	0.8	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.4	177.9	-65.6	-176.5	178.6	-178.8	0	114.3	E90 V91	E90-K93 PolarHBondContact O-N 3.3Å; V91-K93 PolarHBondContact O-N 2.98Å; V91-K93 VanDerWaalsContact O-N 3.12Å
94	K	75.3	Confident	84.8	Confident	153 Å²	153	75.1 Å²	75.1	67%	0.665	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-24.8	-168.9	-66.2	-177.9	178.9	177.2	0	115	V91 E96	V91-K94 PolarHBondContact O-N 3.21Å; K94-E96 PolarHBondContact O-N 3.34Å
95	R	79.6	Confident	85.2	Confident	87 Å²	87	78.4 Å²	78.4	33%	0.328	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-71.6	126.3	-177.4	176.4	-179.9	-178.1	148.7	1.8	108.7	V91 E144 K415	V91-R95 HydrophobicContact CG1-CB 3.87Å; V91-R95 WeakPolarHBondContact O-CB 3.33Å; V91-R95 PolarHBondContact O-N 3.06Å; R95-E144 IonicContact CZ-OE1 3.56Å; R95-E144 IonicContact NH2-OE1 2.76Å; R95-E144 PolarHBondContact NH2-OE1 3.45Å; R95-K415 WeakPolarHBondContact O-CE 3.5Å; R95-K415 PolarHBondContact O-NZ 3.27Å
96	E	82.9	Confident	85.7	Confident	142 Å²	142	76.3 Å²	76.3	66%	0.664	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-101.6	125	162.9	-69.8	-50.8	128.4	0	0	110.2	K94 K415	K94-E96 PolarHBondContact O-N 3.34Å; E96-K415 IonicContact OE1-NZ 2.93Å; E96-K415 PolarHBondContact OE1-NZ 3.29Å; E96-K415 IonicContact OE2-NZ 2.67Å; E96-K415 PolarHBondContact OE2-NZ 2.92Å
97	P	86.4	Confident	86.3	Confident	45 Å²	45	73.3 Å²	73.3	29%	0.292	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-62.3	154.5	172.6	-21.2	32.9	0	0	0	111.5	T99 E144 K415	P97-T99 PolarHBondContact O-N 2.88Å; P97-E144 WeakPolarHBondContact CA-OE2 3.47Å; P97-E144 VanDerWaalsContact CB-OE2 3.27Å; P97-E144 WeakPolarHBondContact CB-OE2 3.3Å; P97-K415 HydrophobicContact CG-CD 3.8Å; P97-K415 HydrophobicContact CG-CG 4.31Å
98	F	92.1	Very high	87	Confident	67 Å²	67	82.2 Å²	82.2	29%	0.294	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-63.4	134.4	169.9	-66.4	-67.3	0	0	0	110.3	H102 Y103 I143 E144	F98-H102 AromaticContact CD1-CD2 3.18Å; F98-H102 WeakPolarHBondContact CD1-CD2 3.42Å; F98-H102 AromaticContact CD1-CE1 3.86Å; F98-H102 AromaticContact CD1-CG 3.72Å; F98-H102 AromaticContact CD1-NE2 3.27Å; F98-H102 VanDerWaalsContact CD1-NE2 3.27Å; F98-H102 WeakPolarHBondContact CD1-NE2 3.46Å; F98-H102 AromaticContact CE1-CD2 3.83Å; F98-H102 AromaticContact CE1-CE1 3.87Å; F98-H102 AromaticContact CE1-NE2 3.37Å; F98-H102 WeakPolarHBondContact CE1-NE2 3.33Å; F98-H102 AromaticContact CG-CD2 3.78Å; F98-Y103 HydrophobicContact CB-CD2 4.27Å; F98-Y103 HydrophobicContact CB-CE2 3.62Å; F98-I143 WeakPolarHBondContact O-CG2 3.28Å; F98-E144 HydrophobicContact CB-CB 4.32Å; F98-E144 HydrophobicContact CB-CG 4.48Å; F98-E144 HydrophobicContact CD2-CG 4Å; F98-E144 PolarHBondContact N-OE2 2.89Å
99	T	95.7	Very high	87.9	Confident	77 Å²	77	83 Å²	83	47%	0.472	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-85.5	164.5	179.9	62	0	0	0	0	111.7	P97 T101 H102 Y103	P97-T99 PolarHBondContact O-N 2.88Å; T99-T101 VanDerWaalsContact C-N 3.28Å; T99-T101 PolarHBondContact O-N 3.26Å; T99-T101 PolarHBondContact OG1-OG1 3.3Å; T99-H102 WeakPolarHBondContact O-CB 3.44Å; T99-H102 PolarHBondContact O-N 2.9Å; T99-H102 VanDerWaalsContact O-N 3.12Å; T99-H102 PolarHBondContact OG1-N 3.28Å; T99-Y103 PolarHBondContact O-N 3Å
100	D	97.1	Very high	88.9	Confident	33 Å²	33	79.6 Å²	79.6	18%	0.176	39%	0.387	C	S	.	.	H	α-helix	trans	-53.5	-47.3	172.8	-58.3	-9.2	0	0	0	111.1	H102 Y103 L104 I143 T171 F172 A175	D100-H102 VanDerWaalsContact C-N 3.29Å; D100-H102 PolarHBondContact O-N 3.17Å; D100-Y103 PolarHBondContact O-N 2.73Å; D100-Y103 VanDerWaalsContact O-N 3.11Å; D100-L104 PolarHBondContact O-N 3.35Å; D100-I143 WeakPolarHBondContact OD1-CB 3.17Å; D100-I143 VanDerWaalsContact OD1-CG2 3.25Å; D100-I143 WeakPolarHBondContact OD1-CG2 3.44Å; D100-T171 PolarHBondContact OD2-OG1 3.42Å; D100-F172 WeakPolarHBondContact OD2-CA 3.04Å; D100-F172 PolarHBondContact OD2-N 2.75Å; D100-A175 HydrophobicContact CB-CB 3.89Å
101	T	97.2	Very high	89.9	Confident	88 Å²	88	79.9 Å²	79.9	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-32.3	178.6	53.1	0	0	0	0	113.5	T99 L104 S105	T99-T101 VanDerWaalsContact C-N 3.28Å; T99-T101 PolarHBondContact O-N 3.26Å; T99-T101 PolarHBondContact OG1-OG1 3.3Å; T101-L104 PolarHBondContact O-N 2.91Å; T101-S105 PolarHBondContact O-N 3.5Å; T101-S105 VanDerWaalsContact O-N 3.13Å
102	H	96.9	Very high	91	Very high	72 Å²	72	84.9 Å²	84.9	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-44.7	174.3	-178	79.9	0	0	0	110.8	F98 T99 D100 S105 L106	F98-H102 AromaticContact CD1-CD2 3.18Å; F98-H102 WeakPolarHBondContact CD1-CD2 3.42Å; F98-H102 AromaticContact CD1-CE1 3.86Å; F98-H102 AromaticContact CD1-CG 3.72Å; F98-H102 AromaticContact CD1-NE2 3.27Å; F98-H102 VanDerWaalsContact CD1-NE2 3.27Å; F98-H102 WeakPolarHBondContact CD1-NE2 3.46Å; F98-H102 AromaticContact CE1-CD2 3.83Å; F98-H102 AromaticContact CE1-CE1 3.87Å; F98-H102 AromaticContact CE1-NE2 3.37Å; F98-H102 WeakPolarHBondContact CE1-NE2 3.33Å; F98-H102 AromaticContact CG-CD2 3.78Å; T99-H102 WeakPolarHBondContact O-CB 3.44Å; T99-H102 PolarHBondContact O-N 2.9Å; T99-H102 VanDerWaalsContact O-N 3.12Å; T99-H102 PolarHBondContact OG1-N 3.28Å; D100-H102 VanDerWaalsContact C-N 3.29Å; D100-H102 PolarHBondContact O-N 3.17Å; H102-S105 PolarHBondContact O-N 3.09Å; H102-L106 WeakPolarHBondContact O-CB 3.27Å; H102-L106 PolarHBondContact O-N 2.98Å
103	Y	97.9	Very high	92.5	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-36.2	176.9	-80.1	-73.4	0	0	0	112.7	F98 T99 D100 S105 L106 T107 F113 R117 I143 E144 E147 I179	F98-Y103 HydrophobicContact CB-CD2 4.27Å; F98-Y103 HydrophobicContact CB-CE2 3.62Å; T99-Y103 PolarHBondContact O-N 3Å; D100-Y103 PolarHBondContact O-N 2.73Å; D100-Y103 VanDerWaalsContact O-N 3.11Å; Y103-S105 VanDerWaalsContact C-N 3.27Å; Y103-S105 PolarHBondContact O-N 3.04Å; Y103-L106 PolarHBondContact O-N 2.8Å; Y103-T107 WeakPolarHBondContact O-CB 3.47Å; Y103-T107 VanDerWaalsContact O-CG2 3.28Å; Y103-T107 WeakPolarHBondContact O-CG2 3.42Å; Y103-T107 PolarHBondContact O-N 2.83Å; Y103-T107 PolarHBondContact O-OG1 3.12Å; Y103-F113 AromaticContact CD1-CE2 3.94Å; Y103-F113 HydrophobicContact CD1-CE2 3.94Å; Y103-F113 AromaticContact CE1-CE2 3.91Å; Y103-F113 HydrophobicContact CE1-CE2 3.91Å; Y103-R117 PolarHBondContact OH-NH2 2.96Å; Y103-I143 HydrophobicContact CD2-CB 4.2Å; Y103-I143 HydrophobicContact CD2-CG1 3.61Å; Y103-I143 HydrophobicContact CD2-CG2 3.59Å; Y103-I143 HydrophobicContact CE2-CB 4.48Å; Y103-I143 HydrophobicContact CE2-CG1 4.14Å; Y103-I143 HydrophobicContact CE2-CG2 3.85Å; Y103-I143 HydrophobicContact CG-CG1 4.13Å; Y103-E144 HydrophobicContact CE2-CB 4.3Å; Y103-E147 HydrophobicContact CE1-CB 3.9Å; Y103-E147 HydrophobicContact CE1-CG 3.69Å; Y103-E147 WeakPolarHBondContact OH-CB 3.36Å; Y103-E147 PolarHBondContact OH-OE2 3.23Å; Y103-I179 HydrophobicContact CD1-CD1 3.69Å; Y103-I179 HydrophobicContact CD1-CG1 3.92Å; Y103-I179 HydrophobicContact CD2-CD1 4.43Å; Y103-I179 HydrophobicContact CE1-CD1 4.22Å; Y103-I179 HydrophobicContact CG-CD1 3.82Å; Y103-I179 HydrophobicContact CG-CG1 4.27Å
104	L	98	Very high	93.8	Very high	49 Å²	49	72.3 Å²	72.3	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-38.3	172.3	-68.5	177.2	0	0	0	112.6	D100 T101 R108 E174 A175 A178	D100-L104 PolarHBondContact O-N 3.35Å; T101-L104 PolarHBondContact O-N 2.91Å; L104-R108 WeakPolarHBondContact O-CG 3.47Å; L104-E174 HydrophobicContact CD2-CB 3.99Å; L104-A175 HydrophobicContact CD2-CB 4.37Å; L104-A175 HydrophobicContact CG-CB 4.34Å; L104-A178 HydrophobicContact CD2-CB 3.84Å
105	S	97.7	Very high	94.5	Very high	72 Å²	72	67.6 Å²	67.6	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-74	-41.7	175.4	-175.2	0	0	0	0	112.1	T101 H102 Y103	T101-S105 PolarHBondContact O-N 3.5Å; T101-S105 VanDerWaalsContact O-N 3.13Å; H102-S105 PolarHBondContact O-N 3.09Å; Y103-S105 VanDerWaalsContact C-N 3.27Å; Y103-S105 PolarHBondContact O-N 3.04Å
106	L	96.8	Very high	95.2	Very high	19 Å²	19	68 Å²	68	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-35.4	-172.5	-174.7	62.5	0	0	0	112.4	H102 Y103 R108 F113 E116 R117	H102-L106 WeakPolarHBondContact O-CB 3.27Å; H102-L106 PolarHBondContact O-N 2.98Å; Y103-L106 PolarHBondContact O-N 2.8Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 2.68Å; L106-F113 HydrophobicContact CD2-CD2 3.63Å; L106-F113 HydrophobicContact CD2-CE2 4.11Å; L106-F113 HydrophobicContact CG-CB 4.41Å; L106-F113 HydrophobicContact CG-CD2 3.75Å; L106-E116 VanDerWaalsContact CD1-OE2 3.3Å; L106-E116 WeakPolarHBondContact CD1-OE2 3.41Å; L106-R117 HydrophobicContact CD2-CG 4.12Å
107	T	98.1	Very high	95.7	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.9	-177	53	0	0	0	0	114.1	Y103 D109 F113 A178 I179	Y103-T107 WeakPolarHBondContact O-CB 3.47Å; Y103-T107 VanDerWaalsContact O-CG2 3.28Å; Y103-T107 WeakPolarHBondContact O-CG2 3.42Å; Y103-T107 PolarHBondContact O-N 2.83Å; Y103-T107 PolarHBondContact O-OG1 3.12Å; T107-D109 PolarHBondContact O-N 2.82Å; T107-F113 HydrophobicContact CG2-CD1 4.15Å; T107-F113 HydrophobicContact CG2-CD2 3.99Å; T107-F113 HydrophobicContact CG2-CE1 4.28Å; T107-F113 HydrophobicContact CG2-CE2 4.09Å; T107-F113 HydrophobicContact CG2-CG 4Å; T107-F113 HydrophobicContact CG2-CZ 4.25Å; T107-A178 VanDerWaalsContact OG1-CB 3.23Å; T107-A178 WeakPolarHBondContact OG1-CB 3.41Å; T107-I179 HydrophobicContact CG2-CB 4.48Å; T107-I179 HydrophobicContact CG2-CG1 3.92Å
108	R	97.6	Very high	96.1	Very high	214 Å²	214	63.7 Å²	63.7	81%	0.808	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	171.7	-68.3	-179.3	178.9	-178.8	-2.3	112.7	L104 L106	L104-R108 WeakPolarHBondContact O-CG 3.47Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 2.68Å
109	D	98	Very high	96.2	Very high	82 Å²	82	60.7 Å²	60.7	44%	0.439	30%	0.304	S	S	.	.	S	Bend	trans	-119.9	97.9	171.6	179.7	-16.6	0	0	0	107.8	T107 E111 R112 F113	T107-D109 PolarHBondContact O-N 2.82Å; D109-E111 VanDerWaalsContact C-N 3.33Å; D109-E111 PolarHBondContact O-N 2.97Å; D109-E111 PolarHBondContact OD1-N 2.66Å; D109-R112 HydrophobicContact CB-CB 3.82Å; D109-R112 PolarHBondContact O-N 2.97Å; D109-R112 WeakPolarHBondContact OD1-CB 3.15Å; D109-R112 PolarHBondContact OD1-N 2.68Å; D109-R112 WeakPolarHBondContact OD2-CB 3.2Å; D109-F113 WeakPolarHBondContact O-CB 3.17Å; D109-F113 PolarHBondContact O-N 2.81Å
110	C	98	Very high	96	Very high	35 Å²	35	59.4 Å²	59.4	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-34.1	-175.8	-76.1	0	0	0	0	113.2	F113 K114 C182	C110-F113 PolarHBondContact O-N 3.37Å; C110-K114 WeakPolarHBondContact O-CB 3.43Å; C110-K114 WeakPolarHBondContact O-CE 3.38Å; C110-K114 VanDerWaalsContact O-CG 3.24Å; C110-K114 WeakPolarHBondContact O-CG 3.42Å; C110-K114 PolarHBondContact O-N 3.27Å; C110-C182 WeakPolarHBondContact CA-SG 3.28Å; C110-C182 HydrophobicContact CB-CB 3.56Å; C110-C182 WeakPolarHBondContact CB-SG 3.05Å; C110-C182 WeakPolarHBondContact SG-CA 3.46Å; C110-C182 WeakPolarHBondContact SG-CB 3.41Å; C110-C182 CovalentContact SG-SG 2.05Å; C110-C182 PolarHBondContact SG-SG 3.25Å
111	E	95.7	Very high	95.5	Very high	113 Å²	113	61.5 Å²	61.5	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-44.8	177.4	-68.3	-50	132	0	0	110.5	D109 K114 A115	D109-E111 VanDerWaalsContact C-N 3.33Å; D109-E111 PolarHBondContact O-N 2.97Å; D109-E111 PolarHBondContact OD1-N 2.66Å; E111-K114 PolarHBondContact O-N 3.19Å; E111-K114 WeakPolarHBondContact OE1-CE 3.36Å; E111-K114 IonicContact OE1-NZ 3.3Å; E111-K114 PolarHBondContact OE1-NZ 2.9Å; E111-K114 IonicContact OE2-NZ 3.58Å; E111-K114 PolarHBondContact OE2-NZ 2.84Å; E111-A115 VanDerWaalsContact O-CB 3.24Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å; E111-A115 PolarHBondContact O-N 3.31Å
112	R	95.5	Very high	95	Very high	140 Å²	140	59.4 Å²	59.4	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-45.4	173.4	-177.7	178.9	175.3	-176	-3.8	111.9	D109 A115 E116	D109-R112 HydrophobicContact CB-CB 3.82Å; D109-R112 PolarHBondContact O-N 2.97Å; D109-R112 WeakPolarHBondContact OD1-CB 3.15Å; D109-R112 PolarHBondContact OD1-N 2.68Å; D109-R112 WeakPolarHBondContact OD2-CB 3.2Å; R112-A115 PolarHBondContact O-N 2.97Å; R112-E116 HydrophobicContact CG-CG 4.09Å; R112-E116 IonicContact CZ-OE1 2.82Å; R112-E116 VanDerWaalsContact CZ-OE1 3.26Å; R112-E116 IonicContact NE-OE1 2.73Å; R112-E116 PolarHBondContact NE-OE1 3.15Å; R112-E116 IonicContact NH2-OE1 2.99Å; R112-E116 PolarHBondContact NH2-OE1 3.23Å; R112-E116 WeakPolarHBondContact O-CB 3.29Å; R112-E116 WeakPolarHBondContact O-CG 3.16Å; R112-E116 PolarHBondContact O-N 2.94Å
113	F	97.1	Very high	94.6	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-54.1	176.3	167.4	-113.4	0	0	0	111.1	Y103 L106 T107 D109 C110 A115 E116 R117 F119 E147 I179 C182 F183	Y103-F113 AromaticContact CD1-CE2 3.94Å; Y103-F113 HydrophobicContact CD1-CE2 3.94Å; Y103-F113 AromaticContact CE1-CE2 3.91Å; Y103-F113 HydrophobicContact CE1-CE2 3.91Å; L106-F113 HydrophobicContact CD2-CD2 3.63Å; L106-F113 HydrophobicContact CD2-CE2 4.11Å; L106-F113 HydrophobicContact CG-CB 4.41Å; L106-F113 HydrophobicContact CG-CD2 3.75Å; T107-F113 HydrophobicContact CG2-CD1 4.15Å; T107-F113 HydrophobicContact CG2-CD2 3.99Å; T107-F113 HydrophobicContact CG2-CE1 4.28Å; T107-F113 HydrophobicContact CG2-CE2 4.09Å; T107-F113 HydrophobicContact CG2-CG 4Å; T107-F113 HydrophobicContact CG2-CZ 4.25Å; D109-F113 WeakPolarHBondContact O-CB 3.17Å; D109-F113 PolarHBondContact O-N 2.81Å; C110-F113 PolarHBondContact O-N 3.37Å; F113-A115 VanDerWaalsContact C-N 3.3Å; F113-A115 PolarHBondContact O-N 2.87Å; F113-E116 PolarHBondContact O-N 3.29Å; F113-R117 HydrophobicContact CD2-CB 4.49Å; F113-R117 HydrophobicContact CD2-CG 3.49Å; F113-R117 VanDerWaalsContact CD2-CG 3.49Å; F113-R117 HydrophobicContact CE2-CB 4.36Å; F113-R117 HydrophobicContact CE2-CG 3.41Å; F113-R117 VanDerWaalsContact CE2-CG 3.41Å; F113-R117 HydrophobicContact CG-CG 4.4Å; F113-R117 HydrophobicContact CZ-CG 4.22Å; F113-R117 WeakPolarHBondContact O-CB 3.41Å; F113-R117 VanDerWaalsContact O-CG 3.22Å; F113-R117 WeakPolarHBondContact O-CG 3.45Å; F113-R117 PolarHBondContact O-N 2.96Å; F113-F119 HydrophobicContact CE1-CE2 4.01Å; F113-F119 HydrophobicContact CE1-CZ 4.47Å; F113-F119 AromaticContact CZ-CE2 3.85Å; F113-F119 HydrophobicContact CZ-CE2 3.85Å; F113-F119 HydrophobicContact CZ-CZ 4.33Å; F113-E147 HydrophobicContact CE2-CG 4.46Å; F113-E147 HydrophobicContact CZ-CG 4.21Å; F113-I179 HydrophobicContact CE1-CG2 4.25Å; F113-I179 HydrophobicContact CZ-CG1 4.23Å; F113-I179 HydrophobicContact CZ-CG2 3.99Å; F113-C182 HydrophobicContact CD1-CB 4.06Å; F113-C182 HydrophobicContact CE1-CB 4.41Å; F113-F183 AromaticContact CE1-CE2 3.81Å; F113-F183 HydrophobicContact CE1-CE2 3.81Å; F113-F183 AromaticContact CE1-CZ 3.86Å; F113-F183 HydrophobicContact CE1-CZ 3.86Å
114	K	95.6	Very high	94.1	Very high	21 Å²	21	60.4 Å²	60.4	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-40.1	-179.9	-70.1	177.9	-64.2	168.5	0	111.7	C110 E111 K118 F119 Q121 F183	C110-K114 WeakPolarHBondContact O-CB 3.43Å; C110-K114 WeakPolarHBondContact O-CE 3.38Å; C110-K114 VanDerWaalsContact O-CG 3.24Å; C110-K114 WeakPolarHBondContact O-CG 3.42Å; C110-K114 PolarHBondContact O-N 3.27Å; E111-K114 PolarHBondContact O-N 3.19Å; E111-K114 WeakPolarHBondContact OE1-CE 3.36Å; E111-K114 IonicContact OE1-NZ 3.3Å; E111-K114 PolarHBondContact OE1-NZ 2.9Å; E111-K114 IonicContact OE2-NZ 3.58Å; E111-K114 PolarHBondContact OE2-NZ 2.84Å; K114-K118 PolarHBondContact O-N 3.47Å; K114-F119 HydrophobicContact CB-CB 4.29Å; K114-F119 HydrophobicContact CG-CB 4.47Å; K114-F119 PolarHBondContact O-N 3.42Å; K114-Q121 HydrophobicContact CB-CG 4.43Å; K114-Q121 HydrophobicContact CD-CG 4.31Å; K114-Q121 VanDerWaalsContact CD-OE1 3.29Å; K114-F183 HydrophobicContact CD-CD1 4.24Å; K114-F183 HydrophobicContact CD-CE1 3.81Å; K114-F183 HydrophobicContact CD-CZ 4.44Å; K114-F183 HydrophobicContact CG-CE1 3.79Å; K114-F183 HydrophobicContact CG-CZ 3.99Å
115	A	91.6	Very high	93.6	Very high	53 Å²	53	59.4 Å²	59.4	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-71.5	-44.4	178.9	0	0	0	0	0	113.7	E111 R112 F113 K118	E111-A115 VanDerWaalsContact O-CB 3.24Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å; E111-A115 PolarHBondContact O-N 3.31Å; R112-A115 PolarHBondContact O-N 2.97Å; F113-A115 VanDerWaalsContact C-N 3.3Å; F113-A115 PolarHBondContact O-N 2.87Å; A115-K118 VanDerWaalsContact O-CD 3.3Å; A115-K118 WeakPolarHBondContact O-CD 3.24Å; A115-K118 WeakPolarHBondContact O-CE 3.43Å; A115-K118 PolarHBondContact O-N 3.35Å
116	E	93.2	Very high	93.3	Very high	96 Å²	96	60.5 Å²	60.5	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-68.4	-40.4	177.9	-75.3	-169.7	-176.9	0	0	111.2	L106 R112 F113 K118	L106-E116 VanDerWaalsContact CD1-OE2 3.3Å; L106-E116 WeakPolarHBondContact CD1-OE2 3.41Å; R112-E116 HydrophobicContact CG-CG 4.09Å; R112-E116 IonicContact CZ-OE1 2.82Å; R112-E116 VanDerWaalsContact CZ-OE1 3.26Å; R112-E116 IonicContact NE-OE1 2.73Å; R112-E116 PolarHBondContact NE-OE1 3.15Å; R112-E116 IonicContact NH2-OE1 2.99Å; R112-E116 PolarHBondContact NH2-OE1 3.23Å; R112-E116 WeakPolarHBondContact O-CB 3.29Å; R112-E116 WeakPolarHBondContact O-CG 3.16Å; R112-E116 PolarHBondContact O-N 2.94Å; F113-E116 PolarHBondContact O-N 3.29Å; E116-K118 VanDerWaalsContact C-N 3.31Å
117	R	94.3	Very high	93.2	Very high	26 Å²	26	62.7 Å²	62.7	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-80.2	-10.1	178.8	-61.3	-48.1	-63.2	-165.4	-9.2	113.9	Y103 L106 F113 F119 E147 R151	Y103-R117 PolarHBondContact OH-NH2 2.96Å; L106-R117 HydrophobicContact CD2-CG 4.12Å; F113-R117 HydrophobicContact CD2-CB 4.49Å; F113-R117 HydrophobicContact CD2-CG 3.49Å; F113-R117 VanDerWaalsContact CD2-CG 3.49Å; F113-R117 HydrophobicContact CE2-CB 4.36Å; F113-R117 HydrophobicContact CE2-CG 3.41Å; F113-R117 VanDerWaalsContact CE2-CG 3.41Å; F113-R117 HydrophobicContact CG-CG 4.4Å; F113-R117 HydrophobicContact CZ-CG 4.22Å; F113-R117 WeakPolarHBondContact O-CB 3.41Å; F113-R117 VanDerWaalsContact O-CG 3.22Å; F113-R117 WeakPolarHBondContact O-CG 3.45Å; F113-R117 PolarHBondContact O-N 2.96Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.69Å; R117-F119 HydrophobicContact CG-CE2 4.45Å; R117-E147 WeakPolarHBondContact CB-OE1 3.38Å; R117-E147 IonicContact CZ-OE1 2.81Å; R117-E147 IonicContact CZ-OE2 2.77Å; R117-E147 IonicContact NE-OE1 3.67Å; R117-E147 PolarHBondContact NE-OE1 3.24Å; R117-E147 IonicContact NE-OE2 3.68Å; R117-E147 IonicContact NH2-OE1 3.79Å; R117-E147 PolarHBondContact NH2-OE1 3.14Å; R117-E147 IonicContact NH2-OE2 3.31Å; R117-E147 PolarHBondContact NH2-OE2 2.84Å; R117-R151 WeakPolarHBondContact O-CD 3.4Å; R117-R151 PolarHBondContact O-NH1 3.31Å
118	K	94.3	Very high	93.1	Very high	70 Å²	70	62.6 Å²	62.6	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	44.3	176.8	-49	-64.3	176.4	176.9	0	113.6	S59 L60 L62 K114 A115 E116	S59-K118 VanDerWaalsContact O-CD 3.32Å; S59-K118 WeakPolarHBondContact O-CD 3.38Å; S59-K118 WeakPolarHBondContact O-CE 3.25Å; S59-K118 PolarHBondContact O-NZ 2.97Å; L60-K118 HydrophobicContact CD2-CB 4.23Å; L62-K118 HydrophobicContact CD2-CB 4.1Å; L62-K118 HydrophobicContact CD2-CG 3.8Å; K114-K118 PolarHBondContact O-N 3.47Å; A115-K118 VanDerWaalsContact O-CD 3.3Å; A115-K118 WeakPolarHBondContact O-CD 3.24Å; A115-K118 WeakPolarHBondContact O-CE 3.43Å; A115-K118 PolarHBondContact O-N 3.35Å; E116-K118 VanDerWaalsContact C-N 3.31Å
119	F	94.1	Very high	93.1	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.276	C	S	.	.			trans	-70.6	142.7	170.2	-81.4	-97.2	0	0	0	111.2	F113 K114 R117 Q121 E147 L150 R151 Y154 F183	F113-F119 HydrophobicContact CE1-CE2 4.01Å; F113-F119 HydrophobicContact CE1-CZ 4.47Å; F113-F119 AromaticContact CZ-CE2 3.85Å; F113-F119 HydrophobicContact CZ-CE2 3.85Å; F113-F119 HydrophobicContact CZ-CZ 4.33Å; K114-F119 HydrophobicContact CB-CB 4.29Å; K114-F119 HydrophobicContact CG-CB 4.47Å; K114-F119 PolarHBondContact O-N 3.42Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.69Å; R117-F119 HydrophobicContact CG-CE2 4.45Å; F119-Q121 PolarHBondContact O-N 2.91Å; F119-E147 HydrophobicContact CE2-CG 4.35Å; F119-E147 HydrophobicContact CZ-CG 4.24Å; F119-L150 HydrophobicContact CE1-CG 4.21Å; F119-R151 HydrophobicContact CD1-CB 4.19Å; F119-R151 HydrophobicContact CD1-CG 4.15Å; F119-R151 HydrophobicContact CD2-CG 4.24Å; F119-R151 HydrophobicContact CE1-CB 3.67Å; F119-R151 HydrophobicContact CE1-CG 4.13Å; F119-R151 HydrophobicContact CE2-CB 4.06Å; F119-R151 HydrophobicContact CE2-CG 4.21Å; F119-R151 HydrophobicContact CG-CG 4.21Å; F119-R151 HydrophobicContact CZ-CB 3.59Å; F119-R151 HydrophobicContact CZ-CG 4.16Å; F119-Y154 AromaticContact CD1-CD1 3.97Å; F119-Y154 HydrophobicContact CD1-CD1 3.97Å; F119-Y154 AromaticContact CD1-CG 3.95Å; F119-Y154 HydrophobicContact CD1-CG 3.95Å; F119-Y154 HydrophobicContact CE1-CG 4.37Å; F119-F183 HydrophobicContact CB-CE1 4.23Å; F119-F183 HydrophobicContact CB-CZ 4.5Å; F119-F183 AromaticContact CD1-CE1 3.52Å; F119-F183 HydrophobicContact CD1-CE1 3.52Å; F119-F183 HydrophobicContact CD1-CE2 4.46Å; F119-F183 AromaticContact CD1-CZ 3.39Å; F119-F183 HydrophobicContact CD1-CZ 3.39Å; F119-F183 AromaticContact CD2-CZ 3.95Å; F119-F183 HydrophobicContact CD2-CZ 3.95Å; F119-F183 AromaticContact CE1-CE1 3.93Å; F119-F183 HydrophobicContact CE1-CE1 3.93Å; F119-F183 HydrophobicContact CE1-CE2 4.05Å; F119-F183 AromaticContact CE1-CZ 3.36Å; F119-F183 HydrophobicContact CE1-CZ 3.36Å; F119-F183 AromaticContact CE2-CZ 3.94Å; F119-F183 HydrophobicContact CE2-CZ 3.94Å; F119-F183 AromaticContact CG-CE1 3.84Å; F119-F183 HydrophobicContact CG-CE1 3.84Å; F119-F183 AromaticContact CG-CZ 3.68Å; F119-F183 HydrophobicContact CG-CZ 3.68Å; F119-F183 HydrophobicContact CZ-CE2 4.18Å; F119-F183 AromaticContact CZ-CZ 3.65Å; F119-F183 HydrophobicContact CZ-CZ 3.65Å
120	I	91.4	Very high	93.1	Very high	49 Å²	49	56.8 Å²	56.8	25%	0.251	28%	0.28	S	S	.	.			trans	-86.4	109	174.5	-56.6	-179.5	0	0	0	107.7	L60 F122 L124 Y154	L60-I120 HydrophobicContact CD1-CG1 4.21Å; I120-F122 HydrophobicContact CG2-CZ 4.36Å; I120-F122 WeakPolarHBondContact CG2-O 3.46Å; I120-L124 HydrophobicContact CD1-CD1 4.19Å; I120-L124 HydrophobicContact CG2-CD1 4.45Å; I120-L124 HydrophobicContact CG2-CD2 3.91Å; I120-L124 HydrophobicContact CG2-CG 4.15Å; I120-Y154 VanDerWaalsContact O-CD1 3.22Å; I120-Y154 WeakPolarHBondContact O-CD1 3.37Å; I120-Y154 VanDerWaalsContact O-CE1 3.25Å; I120-Y154 WeakPolarHBondContact O-CE1 3.05Å
121	Q	86.8	Confident	93.1	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	27%	0.274	S	S	.	.			trans	-99.7	3.3	-169.8	-58.4	-170.3	63.7	0	0	114.3	K114 F119	K114-Q121 HydrophobicContact CB-CG 4.43Å; K114-Q121 HydrophobicContact CD-CG 4.31Å; K114-Q121 VanDerWaalsContact CD-OE1 3.29Å; F119-Q121 PolarHBondContact O-N 2.91Å
122	F	86.7	Confident	93.2	Very high	44 Å²	44	51.3 Å²	51.3	19%	0.193	25%	0.251	C	S	.	.	S	Bend	trans	-138.2	149.9	-178.5	54.4	-82.9	0	0	0	108.5	L40 L56 I120 L124 P156	L40-F122 HydrophobicContact CD1-CD1 4.44Å; L40-F122 HydrophobicContact CD1-CD2 3.91Å; L40-F122 HydrophobicContact CD1-CE1 4.48Å; L40-F122 HydrophobicContact CD1-CE2 3.94Å; L40-F122 HydrophobicContact CD1-CG 4.22Å; L40-F122 HydrophobicContact CD1-CZ 4.29Å; L56-F122 HydrophobicContact CD1-CE1 4.08Å; L56-F122 HydrophobicContact CD1-CZ 4.15Å; L56-F122 HydrophobicContact CD2-CE1 3.53Å; L56-F122 HydrophobicContact CD2-CE2 3.64Å; L56-F122 HydrophobicContact CD2-CZ 3.03Å; L56-F122 HydrophobicContact CG-CE1 4.11Å; L56-F122 HydrophobicContact CG-CZ 3.67Å; I120-F122 HydrophobicContact CG2-CZ 4.36Å; I120-F122 WeakPolarHBondContact CG2-O 3.46Å; F122-L124 HydrophobicContact CD2-CD2 4.17Å; F122-L124 HydrophobicContact CE2-CD2 3.49Å; F122-L124 VanDerWaalsContact CE2-CD2 3.49Å; F122-L124 HydrophobicContact CZ-CD2 4.09Å; F122-P156 VanDerWaalsContact C-CG 3.45Å
123	P	89	Confident	93.4	Very high	41 Å²	41	44.6 Å²	44.6	27%	0.266	23%	0.226	S	C	.	.			trans	-61.9	150.1	176.2	-18.8	30.4	0	0	0	111.5	L42 V129 P156	L42-P123 HydrophobicContact CD2-CB 4.21Å; L42-P123 WeakPolarHBondContact CD2-O 3.43Å; P123-V129 HydrophobicContact CB-CG2 3.27Å; P123-V129 HydrophobicContact CG-CG2 3.56Å; P123-P156 HydrophobicContact CG-CG 3.99Å
124	L	87.2	Confident	93.5	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.267	23%	0.226	S	C	.	.	S	Bend	trans	-98.6	-21.2	-179.8	-61.2	-176.8	0	0	0	113.6	L42 Y57 I120 F122 E128	L42-L124 VanDerWaalsContact CD2-C 3.46Å; Y57-L124 HydrophobicContact CE1-CD2 4Å; I120-L124 HydrophobicContact CD1-CD1 4.19Å; I120-L124 HydrophobicContact CG2-CD1 4.45Å; I120-L124 HydrophobicContact CG2-CD2 3.91Å; I120-L124 HydrophobicContact CG2-CG 4.15Å; F122-L124 HydrophobicContact CD2-CD2 4.17Å; F122-L124 HydrophobicContact CE2-CD2 3.49Å; F122-L124 VanDerWaalsContact CE2-CD2 3.49Å; F122-L124 HydrophobicContact CZ-CD2 4.09Å; L124-E128 WeakPolarHBondContact CB-OE2 3.32Å
125	S	88	Confident	93.6	Very high	28 Å²	28	43.7 Å²	43.7	20%	0.196	22%	0.222	C	C	.	.			trans	-150.8	158.7	174	68.4	0	0	0	0	112.4	E127 E128 V129	S125-E127 VanDerWaalsContact C-N 3.31Å; S125-E128 WeakPolarHBondContact CB-OE2 3.4Å; S125-E128 PolarHBondContact N-OE2 3.2Å; S125-E128 VanDerWaalsContact N-OE2 3.11Å; S125-E128 PolarHBondContact O-N 3.46Å; S125-E128 WeakPolarHBondContact OG-CB 3.3Å; S125-E128 WeakPolarHBondContact OG-CG 3.4Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 3.31Å; S125-V129 WeakPolarHBondContact O-CG2 3.23Å; S125-V129 PolarHBondContact O-N 3.04Å
126	K	90.5	Very high	94	Very high	95 Å²	95	41.1 Å²	41.1	41%	0.413	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-39.5	172.5	-179.4	179	172.9	-177.2	0	111.6	E128 V129 E130	K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 PolarHBondContact O-N 3.16Å; K126-V129 PolarHBondContact O-N 3.08Å; K126-V129 VanDerWaalsContact O-N 3.14Å; K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 HydrophobicContact CG-CG 4.38Å; K126-E130 IonicContact NZ-OE1 2.83Å; K126-E130 WeakPolarHBondContact O-CG 3.29Å; K126-E130 PolarHBondContact O-N 3.04Å
127	E	94.7	Very high	94.3	Very high	65 Å²	65	36.6 Å²	36.6	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-55.1	-42.5	176.3	159.8	156.3	-119.8	0	0	111.9	S125 F131 V240 Q241 K244	S125-E127 VanDerWaalsContact C-N 3.31Å; E127-F131 WeakPolarHBondContact O-CB 3.1Å; E127-F131 PolarHBondContact O-N 2.99Å; E127-V240 HydrophobicContact CG-CG1 3.73Å; E127-Q241 PolarHBondContact OE2-NE2 3.01Å; E127-K244 IonicContact OE1-NZ 3.28Å; E127-K244 PolarHBondContact OE1-NZ 3.48Å
128	E	96.4	Very high	94.5	Very high	9 Å²	9	36 Å²	36	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-71.7	-37	177.9	-67.6	166.5	95.5	0	0	112.7	L124 S125 K126 E130 F131 Q157 N236 A237 V240	L124-E128 WeakPolarHBondContact CB-OE2 3.32Å; S125-E128 WeakPolarHBondContact CB-OE2 3.4Å; S125-E128 PolarHBondContact N-OE2 3.2Å; S125-E128 VanDerWaalsContact N-OE2 3.11Å; S125-E128 PolarHBondContact O-N 3.46Å; S125-E128 WeakPolarHBondContact OG-CB 3.3Å; S125-E128 WeakPolarHBondContact OG-CG 3.4Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 3.31Å; K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 PolarHBondContact O-N 3.16Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.31Å; E128-F131 CarbonylContact O-C 3.57Å; E128-F131 PolarHBondContact O-N 2.67Å; E128-Q157 WeakPolarHBondContact O-CG 3.27Å; E128-N236 WeakPolarHBondContact CG-ND2 3.31Å; E128-N236 WeakPolarHBondContact OE1-CB 3.3Å; E128-N236 PolarHBondContact OE1-ND2 3.13Å; E128-A237 HydrophobicContact CG-CB 4.2Å; E128-A237 PolarHBondContact OE1-N 3.33Å; E128-V240 HydrophobicContact CG-CG2 4.18Å
129	V	96.8	Very high	94.6	Very high	59 Å²	59	32.7 Å²	32.7	36%	0.358	17%	0.165	S	C	.	.	H	α-helix	trans	-60.2	-42	175.3	174	0	0	0	0	111.5	L42 P123 S125 K126 F131	L42-V129 HydrophobicContact CD1-CG2 4.36Å; P123-V129 HydrophobicContact CB-CG2 3.27Å; P123-V129 HydrophobicContact CG-CG2 3.56Å; S125-V129 WeakPolarHBondContact O-CG2 3.23Å; S125-V129 PolarHBondContact O-N 3.04Å; K126-V129 PolarHBondContact O-N 3.08Å; K126-V129 VanDerWaalsContact O-N 3.14Å; V129-F131 PolarHBondContact O-N 3.2Å
130	E	97.6	Very high	94.8	Very high	114 Å²	114	36.9 Å²	36.9	53%	0.533	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.2	-178	-67.5	178.4	163.8	0	0	113.2	K126 E128	K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 HydrophobicContact CG-CG 4.38Å; K126-E130 IonicContact NZ-OE1 2.83Å; K126-E130 WeakPolarHBondContact O-CG 3.29Å; K126-E130 PolarHBondContact O-N 3.04Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.31Å
131	F	98.6	Very high	94.9	Very high	24 Å²	24	38.2 Å²	38.2	11%	0.105	19%	0.19	C	C	.	.	S	Bend	trans	-130.5	67.1	-179.2	-153.9	-84.9	0	0	0	112.9	E127 E128 V129 K221 Y222 V240 L243 K244	E127-F131 WeakPolarHBondContact O-CB 3.1Å; E127-F131 PolarHBondContact O-N 2.99Å; E128-F131 CarbonylContact O-C 3.57Å; E128-F131 PolarHBondContact O-N 2.67Å; V129-F131 PolarHBondContact O-N 3.2Å; F131-K221 HydrophobicContact CD1-CB 4.2Å; F131-K221 HydrophobicContact CD1-CG 4.18Å; F131-K221 HydrophobicContact CD2-CB 4.4Å; F131-K221 HydrophobicContact CD2-CG 3.85Å; F131-K221 HydrophobicContact CE1-CB 3.8Å; F131-K221 HydrophobicContact CE1-CG 4.21Å; F131-K221 HydrophobicContact CE2-CB 4.03Å; F131-K221 HydrophobicContact CE2-CG 3.91Å; F131-K221 HydrophobicContact CG-CB 4.49Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.73Å; F131-K221 HydrophobicContact CZ-CG 4.1Å; F131-Y222 AromaticContact CE1-CD2 3.9Å; F131-Y222 HydrophobicContact CE1-CD2 3.9Å; F131-Y222 AromaticContact CZ-CD2 3.73Å; F131-Y222 HydrophobicContact CZ-CD2 3.73Å; F131-Y222 AromaticContact CZ-CE2 3.92Å; F131-Y222 HydrophobicContact CZ-CE2 3.92Å; F131-V240 HydrophobicContact CB-CG1 3.64Å; F131-V240 HydrophobicContact CB-CG2 4.23Å; F131-V240 HydrophobicContact CD1-CB 4.33Å; F131-V240 HydrophobicContact CD1-CG1 3.97Å; F131-V240 HydrophobicContact CD1-CG2 4.1Å; F131-V240 HydrophobicContact CG-CG1 3.87Å; F131-L243 HydrophobicContact CE1-CB 3.55Å; F131-L243 HydrophobicContact CE1-CD1 4.22Å; F131-L243 HydrophobicContact CZ-CB 3.97Å; F131-K244 HydrophobicContact CD2-CD 4.25Å; F131-K244 HydrophobicContact CD2-CG 3.63Å; F131-K244 HydrophobicContact CE2-CB 4.46Å; F131-K244 HydrophobicContact CE2-CD 4.48Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.26Å; F131-K244 HydrophobicContact CZ-CG 3.89Å
132	P	98.8	Very high	95.3	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.058	19%	0.185	C	C	.	.			trans	-65.5	142.6	179.9	-19.5	32.4	0	0	0	113	Q157 V218 W220 K221	P132-Q157 WeakPolarHBondContact CB-O 3.17Å; P132-V218 HydrophobicContact CB-CG1 3.8Å; P132-V218 HydrophobicContact CG-CG1 4.26Å; P132-W220 HydrophobicContact CB-CB 4.24Å; P132-W220 CarbonylContact O-C 3.44Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.29Å; P132-K221 PolarHBondContact O-N 3.38Å
133	I	98.9	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.6	176.5	-54.9	173.8	0	0	0	109.1	Y135 N158 I159 L224 M239 V240 L243	I133-Y135 HydrophobicContact CB-CE2 3.9Å; I133-Y135 HydrophobicContact CG2-CD2 4.07Å; I133-Y135 HydrophobicContact CG2-CE2 3.51Å; I133-N158 PolarHBondContact N-OD1 3.32Å; I133-N158 WeakPolarHBondContact O-CA 3.43Å; I133-N158 VanDerWaalsContact O-CB 3.27Å; I133-N158 WeakPolarHBondContact O-CB 3.33Å; I133-I159 PolarHBondContact O-N 3.02Å; I133-L224 HydrophobicContact CG2-CD1 3.86Å; I133-L224 HydrophobicContact CG2-CD2 4.3Å; I133-M239 HydrophobicContact CD1-CB 3.98Å; I133-V240 HydrophobicContact CD1-CG2 4.11Å; I133-L243 HydrophobicContact CD1-CD1 3.62Å; I133-L243 HydrophobicContact CG1-CD1 3.86Å
134	A	98.9	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.6	171.9	0	0	0	0	0	111	I159 L213 W220 Y222 F223 L224	A134-I159 CarbonylContact C-O 3.6Å; A134-I159 WeakPolarHBondContact CA-O 3.47Å; A134-I159 HydrophobicContact CB-CG2 3.64Å; A134-L213 HydrophobicContact CB-CD1 4.22Å; A134-L213 HydrophobicContact CB-CD2 4.08Å; A134-W220 HydrophobicContact CB-CB 3.97Å; A134-W220 HydrophobicContact CB-CD2 3.47Å; A134-W220 VanDerWaalsContact CB-CD2 3.47Å; A134-W220 HydrophobicContact CB-CE3 3.69Å; A134-W220 HydrophobicContact CB-CG 3.59Å; A134-W220 HydrophobicContact CB-CZ3 4.33Å; A134-Y222 PolarHBondContact N-O 3.39Å; A134-F223 CarbonylContact O-C 3.45Å; A134-F223 WeakPolarHBondContact O-CA 3.39Å; A134-L224 PolarHBondContact O-N 3.28Å
135	Y	98.9	Very high	96.6	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.5	176.5	-68.7	-92.4	0	0	0	112	I133 V153 I159 Y160 C161 L224 T226 M239	I133-Y135 HydrophobicContact CB-CE2 3.9Å; I133-Y135 HydrophobicContact CG2-CD2 4.07Å; I133-Y135 HydrophobicContact CG2-CE2 3.51Å; Y135-V153 HydrophobicContact CE1-CB 4.3Å; Y135-V153 HydrophobicContact CE1-CG1 4.38Å; Y135-V153 HydrophobicContact CE1-CG2 4.49Å; Y135-I159 PolarHBondContact N-O 3Å; Y135-Y160 AromaticContact CD2-CD1 3.6Å; Y135-Y160 HydrophobicContact CD2-CD1 3.6Å; Y135-Y160 AromaticContact CD2-CE1 3.25Å; Y135-Y160 HydrophobicContact CD2-CE1 3.25Å; Y135-Y160 AromaticContact CE2-CE1 3.74Å; Y135-Y160 HydrophobicContact CE2-CE1 3.74Å; Y135-Y160 AromaticContact CG-CD1 3.89Å; Y135-Y160 HydrophobicContact CG-CD1 3.89Å; Y135-Y160 AromaticContact CG-CE1 3.9Å; Y135-Y160 HydrophobicContact CG-CE1 3.9Å; Y135-C161 PolarHBondContact O-N 3.25Å; Y135-L224 VanDerWaalsContact CA-O 3.25Å; Y135-L224 WeakPolarHBondContact CA-O 3.11Å; Y135-L224 HydrophobicContact CD1-CB 3.94Å; Y135-L224 HydrophobicContact CE1-CB 3.95Å; Y135-L224 HydrophobicContact CE1-CD2 3.83Å; Y135-T226 HydrophobicContact CD1-CG2 4.28Å; Y135-M239 PolarHBondContact OH-SD 3.37Å
136	S	98.8	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.2	161.6	172.3	0	0	0	0	108.7	C161 D206 C209 F223 L224 N225 T226	S136-C161 CarbonylContact C-O 3.55Å; S136-C161 WeakPolarHBondContact CA-O 3.39Å; S136-D206 WeakPolarHBondContact CB-OD1 3.36Å; S136-D206 PolarHBondContact OG-OD1 2.93Å; S136-C209 WeakPolarHBondContact OG-CB 3.15Å; S136-F223 VanDerWaalsContact CB-CE2 3.44Å; S136-F223 VanDerWaalsContact CB-CZ 3.45Å; S136-L224 PolarHBondContact N-O 2.95Å; S136-N225 CarbonylContact O-C 3.59Å; S136-N225 VanDerWaalsContact O-CA 3.29Å; S136-N225 WeakPolarHBondContact O-CA 3.35Å; S136-T226 PolarHBondContact O-N 2.85Å; S136-T226 PolarHBondContact O-OG1 3.39Å
137	M	98.8	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.3	178.7	-54	-163	174.5	0	0	110.2	F146 L149 L150 V153 Y160 C161 I162 H163 T226	M137-F146 HydrophobicContact SD-CD2 4.45Å; M137-F146 HydrophobicContact SD-CE2 4.07Å; M137-L149 HydrophobicContact CE-CG 4.46Å; M137-L149 HydrophobicContact SD-CD2 4.47Å; M137-L150 HydrophobicContact CE-CD1 3.99Å; M137-L150 HydrophobicContact SD-CD1 4.41Å; M137-V153 HydrophobicContact CE-CG2 3.44Å; M137-V153 VanDerWaalsContact CE-CG2 3.44Å; M137-Y160 HydrophobicContact CE-CD1 3.81Å; M137-Y160 HydrophobicContact CE-CE1 4.34Å; M137-C161 PolarHBondContact N-O 3.33Å; M137-I162 HydrophobicContact CB-CD1 3.74Å; M137-I162 HydrophobicContact CG-CD1 3.76Å; M137-I162 HydrophobicContact SD-CD1 3.72Å; M137-H163 PolarHBondContact O-N 2.68Å; M137-T226 WeakPolarHBondContact CG-OG1 3.25Å
138	V	98.5	Very high	97.5	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.085	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.2	176.6	-174.3	0	0	0	0	109.5	H163 A205 T226 C227 G228	V138-H163 WeakPolarHBondContact CA-O 3.39Å; V138-H163 HydrophobicContact CG2-CB 4.2Å; V138-A205 HydrophobicContact CG1-CB 4.05Å; V138-A205 HydrophobicContact CG2-CB 4.02Å; V138-T226 PolarHBondContact N-O 2.98Å; V138-C227 WeakPolarHBondContact O-CA 3.34Å; V138-G228 PolarHBondContact O-N 3.28Å
139	I	98.3	Very high	97.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.8	-173	65.1	175.8	0	0	0	111.7	F146 I162 H163 V164 D165 F172 V176	I139-F146 HydrophobicContact CD1-CB 4.17Å; I139-F146 HydrophobicContact CD1-CD1 4.13Å; I139-F146 HydrophobicContact CD1-CD2 3.58Å; I139-F146 HydrophobicContact CD1-CE1 4.45Å; I139-F146 HydrophobicContact CD1-CE2 3.97Å; I139-F146 HydrophobicContact CD1-CG 3.66Å; I139-F146 HydrophobicContact CD1-CZ 4.37Å; I139-F146 HydrophobicContact CG2-CD2 4.21Å; I139-I162 HydrophobicContact CD1-CG2 3.56Å; I139-I162 HydrophobicContact CG1-CG2 3.97Å; I139-H163 PolarHBondContact N-O 2.87Å; I139-V164 HydrophobicContact CD1-CG2 4.26Å; I139-V164 HydrophobicContact CG1-CG2 4.15Å; I139-V164 WeakPolarHBondContact O-CA 3.32Å; I139-D165 PolarHBondContact O-N 3.23Å; I139-F172 HydrophobicContact CB-CZ 4.43Å; I139-F172 HydrophobicContact CD1-CE1 4.27Å; I139-F172 HydrophobicContact CD1-CZ 3.99Å; I139-F172 HydrophobicContact CG1-CE1 4.24Å; I139-F172 HydrophobicContact CG1-CZ 4.23Å; I139-V176 HydrophobicContact CD1-CG1 4.23Å; I139-V176 HydrophobicContact CD1-CG2 3.72Å
140	H	96.9	Very high	97.7	Very high	93 Å²	93	23.7 Å²	23.7	43%	0.431	11%	0.109	S	C	.	.			trans	-143	-13.6	178.8	65.9	-80.6	0	0	0	115.2	D165 S168	H140-D165 HydrophobicContact CB-CB 3.64Å; H140-S168 VanDerWaalsContact C-OG 3.26Å; H140-S168 WeakPolarHBondContact CA-OG 3.47Å; H140-S168 WeakPolarHBondContact O-CB 3.04Å; H140-S168 PolarHBondContact O-OG 2.66Å
141	E	94.8	Very high	97.7	Very high	77 Å²	77	20 Å²	20	36%	0.36	9%	0.09	S	C	.	.	S	Bend	trans	-161.1	-177.6	178.5	63.4	171.7	-155.3	0	0	111.1	F172	E141-F172 WeakPolarHBondContact O-CE2 3.46Å; E141-F172 WeakPolarHBondContact O-CZ 3.46Å
142	K	94.9	Very high	97.7	Very high	60 Å²	60	21 Å²	21	26%	0.261	10%	0.103	S	C	.	.			trans	58.1	71	173.8	-64.6	172.3	-176	167	0	113.2	E144 N145 F146 D413	K142-E144 PolarHBondContact O-N 2.73Å; K142-E144 VanDerWaalsContact O-N 3.14Å; K142-N145 HydrophobicContact CB-CB 4.06Å; K142-N145 WeakPolarHBondContact O-CB 3.21Å; K142-N145 PolarHBondContact O-N 3.26Å; K142-F146 PolarHBondContact O-N 3.06Å; K142-D413 IonicContact NZ-OD1 3.44Å; K142-D413 IonicContact NZ-OD2 2.69Å; K142-D413 PolarHBondContact NZ-OD2 3.07Å
143	I	97.3	Very high	97.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-55.2	-35.5	-176.2	-167	69.2	0	0	0	113.9	F98 D100 Y103 N145 F146 E147 F172 A175 V176 I179	F98-I143 WeakPolarHBondContact O-CG2 3.28Å; D100-I143 WeakPolarHBondContact OD1-CB 3.17Å; D100-I143 VanDerWaalsContact OD1-CG2 3.25Å; D100-I143 WeakPolarHBondContact OD1-CG2 3.44Å; Y103-I143 HydrophobicContact CD2-CB 4.2Å; Y103-I143 HydrophobicContact CD2-CG1 3.61Å; Y103-I143 HydrophobicContact CD2-CG2 3.59Å; Y103-I143 HydrophobicContact CE2-CB 4.48Å; Y103-I143 HydrophobicContact CE2-CG1 4.14Å; Y103-I143 HydrophobicContact CE2-CG2 3.85Å; Y103-I143 HydrophobicContact CG-CG1 4.13Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 3.22Å; I143-F146 HydrophobicContact CD1-CD1 4.02Å; I143-F146 PolarHBondContact O-N 2.79Å; I143-E147 PolarHBondContact O-N 3.01Å; I143-F172 HydrophobicContact CB-CD2 4.09Å; I143-F172 HydrophobicContact CB-CE2 4Å; I143-F172 HydrophobicContact CD1-CD2 4.18Å; I143-F172 HydrophobicContact CD1-CE2 3.96Å; I143-A175 HydrophobicContact CD1-CB 3.76Å; I143-A175 HydrophobicContact CG1-CB 3.92Å; I143-V176 HydrophobicContact CD1-CG2 3.67Å; I143-I179 HydrophobicContact CD1-CD1 3.71Å; I143-I179 HydrophobicContact CG1-CD1 3.82Å
144	E	96.1	Very high	97.6	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-35.9	175.5	-173.2	-177.5	166.8	0	0	112.3	R95 P97 F98 Y103 K142 R148	R95-E144 IonicContact CZ-OE1 3.56Å; R95-E144 IonicContact NH2-OE1 2.76Å; R95-E144 PolarHBondContact NH2-OE1 3.45Å; P97-E144 WeakPolarHBondContact CA-OE2 3.47Å; P97-E144 VanDerWaalsContact CB-OE2 3.27Å; P97-E144 WeakPolarHBondContact CB-OE2 3.3Å; F98-E144 HydrophobicContact CB-CB 4.32Å; F98-E144 HydrophobicContact CB-CG 4.48Å; F98-E144 HydrophobicContact CD2-CG 4Å; F98-E144 PolarHBondContact N-OE2 2.89Å; Y103-E144 HydrophobicContact CE2-CB 4.3Å; K142-E144 PolarHBondContact O-N 2.73Å; K142-E144 VanDerWaalsContact O-N 3.14Å; E144-R148 HydrophobicContact CG-CG 4.29Å; E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 WeakPolarHBondContact O-CG 3.5Å; E144-R148 PolarHBondContact O-N 2.88Å
145	N	95.7	Very high	97.6	Very high	20 Å²	20	22 Å²	22	11%	0.107	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-42.6	176.8	-70.8	19.5	0	0	0	110.5	K142 I143 R148 L149 P414	K142-N145 HydrophobicContact CB-CB 4.06Å; K142-N145 WeakPolarHBondContact O-CB 3.21Å; K142-N145 PolarHBondContact O-N 3.26Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 3.22Å; N145-R148 PolarHBondContact O-N 2.77Å; N145-L149 WeakPolarHBondContact O-CB 2.99Å; N145-L149 PolarHBondContact O-N 2.96Å; N145-P414 WeakPolarHBondContact OD1-CD 3.1Å
146	F	97.9	Very high	97.5	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-52.5	173.8	165.7	-117.4	0	0	0	111.5	M137 I139 K142 I143 R148 L149 L150 I162 V176 I179 I180	M137-F146 HydrophobicContact SD-CD2 4.45Å; M137-F146 HydrophobicContact SD-CE2 4.07Å; I139-F146 HydrophobicContact CD1-CB 4.17Å; I139-F146 HydrophobicContact CD1-CD1 4.13Å; I139-F146 HydrophobicContact CD1-CD2 3.58Å; I139-F146 HydrophobicContact CD1-CE1 4.45Å; I139-F146 HydrophobicContact CD1-CE2 3.97Å; I139-F146 HydrophobicContact CD1-CG 3.66Å; I139-F146 HydrophobicContact CD1-CZ 4.37Å; I139-F146 HydrophobicContact CG2-CD2 4.21Å; K142-F146 PolarHBondContact O-N 3.06Å; I143-F146 HydrophobicContact CD1-CD1 4.02Å; I143-F146 PolarHBondContact O-N 2.79Å; F146-R148 VanDerWaalsContact C-N 3.31Å; F146-R148 PolarHBondContact O-N 2.89Å; F146-L149 PolarHBondContact O-N 3.36Å; F146-L150 HydrophobicContact CE2-CB 4.29Å; F146-L150 HydrophobicContact CE2-CD2 4.4Å; F146-L150 HydrophobicContact CZ-CD2 3.96Å; F146-L150 WeakPolarHBondContact O-CB 3.35Å; F146-L150 PolarHBondContact O-N 2.69Å; F146-I162 HydrophobicContact CE2-CD1 3.8Å; F146-I162 HydrophobicContact CE2-CG1 4.23Å; F146-I162 HydrophobicContact CE2-CG2 4.1Å; F146-I162 HydrophobicContact CZ-CD1 4.17Å; F146-I162 HydrophobicContact CZ-CG1 4.18Å; F146-I162 HydrophobicContact CZ-CG2 4.25Å; F146-V176 HydrophobicContact CD1-CG2 4.16Å; F146-V176 HydrophobicContact CE1-CB 4.46Å; F146-V176 HydrophobicContact CE1-CG1 4.03Å; F146-V176 HydrophobicContact CE1-CG2 4.24Å; F146-V176 HydrophobicContact CZ-CG1 4.27Å; F146-I179 HydrophobicContact CD1-CD1 4.14Å; F146-I179 HydrophobicContact CE1-CB 4.29Å; F146-I179 HydrophobicContact CE1-CD1 4.19Å; F146-I179 HydrophobicContact CE1-CG2 4Å; F146-I180 HydrophobicContact CE1-CG2 4.46Å; F146-I180 HydrophobicContact CZ-CG2 4.04Å
147	E	97.8	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-42.1	179.1	179.3	-91.1	175.8	0	0	112.1	Y103 F113 R117 F119 I143 L150 R151 I179	Y103-E147 HydrophobicContact CE1-CB 3.9Å; Y103-E147 HydrophobicContact CE1-CG 3.69Å; Y103-E147 WeakPolarHBondContact OH-CB 3.36Å; Y103-E147 PolarHBondContact OH-OE2 3.23Å; F113-E147 HydrophobicContact CE2-CG 4.46Å; F113-E147 HydrophobicContact CZ-CG 4.21Å; R117-E147 WeakPolarHBondContact CB-OE1 3.38Å; R117-E147 IonicContact CZ-OE1 2.81Å; R117-E147 IonicContact CZ-OE2 2.77Å; R117-E147 IonicContact NE-OE1 3.67Å; R117-E147 PolarHBondContact NE-OE1 3.24Å; R117-E147 IonicContact NE-OE2 3.68Å; R117-E147 IonicContact NH2-OE1 3.79Å; R117-E147 PolarHBondContact NH2-OE1 3.14Å; R117-E147 IonicContact NH2-OE2 3.31Å; R117-E147 PolarHBondContact NH2-OE2 2.84Å; F119-E147 HydrophobicContact CE2-CG 4.35Å; F119-E147 HydrophobicContact CZ-CG 4.24Å; I143-E147 PolarHBondContact O-N 3.01Å; E147-L150 PolarHBondContact O-N 3.44Å; E147-R151 VanDerWaalsContact O-CB 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 PolarHBondContact O-N 2.78Å; E147-R151 IonicContact OE1-NH1 3.85Å; E147-I179 HydrophobicContact CB-CD1 4.28Å
148	R	97.1	Very high	97.4	Very high	72 Å²	72	24.8 Å²	24.8	27%	0.272	12%	0.124	S	C	.	.	H	α-helix	trans	-66.3	-40.2	-179.8	-75	-178.3	68.4	178.7	-0.6	112.1	E144 N145 F146 A152 F231	E144-R148 HydrophobicContact CG-CG 4.29Å; E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 WeakPolarHBondContact O-CG 3.5Å; E144-R148 PolarHBondContact O-N 2.88Å; N145-R148 PolarHBondContact O-N 2.77Å; F146-R148 VanDerWaalsContact C-N 3.31Å; F146-R148 PolarHBondContact O-N 2.89Å; R148-A152 VanDerWaalsContact O-CB 3.29Å; R148-A152 WeakPolarHBondContact O-CB 3.27Å; R148-A152 PolarHBondContact O-N 2.99Å; R148-F231 HydrophobicContact CB-CE2 4.35Å
149	L	98.3	Very high	97.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-53	174.1	172.5	57.2	0	0	0	109.8	M137 N145 F146 R151 A152 V153 D230	M137-L149 HydrophobicContact CE-CG 4.46Å; M137-L149 HydrophobicContact SD-CD2 4.47Å; N145-L149 WeakPolarHBondContact O-CB 2.99Å; N145-L149 PolarHBondContact O-N 2.96Å; F146-L149 PolarHBondContact O-N 3.36Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.88Å; L149-A152 PolarHBondContact O-N 2.91Å; L149-V153 HydrophobicContact CD1-CG1 4.23Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 2.85Å; L149-V153 VanDerWaalsContact O-N 3.11Å; L149-D230 HydrophobicContact CD2-CB 4.43Å
150	L	98.6	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.1	-51.5	178.9	-179.6	61.6	0	0	0	110.4	F119 M137 F146 E147 A152 V153 Y154 Y160 I179 F183 V186	F119-L150 HydrophobicContact CE1-CG 4.21Å; M137-L150 HydrophobicContact CE-CD1 3.99Å; M137-L150 HydrophobicContact SD-CD1 4.41Å; F146-L150 HydrophobicContact CE2-CB 4.29Å; F146-L150 HydrophobicContact CE2-CD2 4.4Å; F146-L150 HydrophobicContact CZ-CD2 3.96Å; F146-L150 WeakPolarHBondContact O-CB 3.35Å; F146-L150 PolarHBondContact O-N 2.69Å; E147-L150 PolarHBondContact O-N 3.44Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.46Å; L150-V153 CarbonylContact O-C 3.58Å; L150-V153 PolarHBondContact O-N 2.93Å; L150-Y154 HydrophobicContact CD1-CD2 4.49Å; L150-Y154 WeakPolarHBondContact O-CA 3.21Å; L150-Y154 WeakPolarHBondContact O-CB 3.39Å; L150-Y154 PolarHBondContact O-N 2.98Å; L150-Y160 HydrophobicContact CD1-CD1 4.13Å; L150-Y160 HydrophobicContact CD1-CG 4.22Å; L150-I179 HydrophobicContact CD2-CG2 4.08Å; L150-F183 HydrophobicContact CD2-CD2 4.45Å; L150-F183 HydrophobicContact CD2-CE2 4.24Å; L150-V186 HydrophobicContact CD1-CG1 4.41Å; L150-V186 HydrophobicContact CD1-CG2 4.21Å; L150-V186 HydrophobicContact CD2-CG1 4.43Å
151	R	97.8	Very high	97.6	Very high	37 Å²	37	20 Å²	20	14%	0.14	10%	0.101	C	C	.	.	H	α-helix	trans	-57	-41.9	176.9	-175.2	-177.9	63.7	-157.8	-8	113.1	R117 F119 E147 L149 V153	R117-R151 WeakPolarHBondContact O-CD 3.4Å; R117-R151 PolarHBondContact O-NH1 3.31Å; F119-R151 HydrophobicContact CD1-CB 4.19Å; F119-R151 HydrophobicContact CD1-CG 4.15Å; F119-R151 HydrophobicContact CD2-CG 4.24Å; F119-R151 HydrophobicContact CE1-CB 3.67Å; F119-R151 HydrophobicContact CE1-CG 4.13Å; F119-R151 HydrophobicContact CE2-CB 4.06Å; F119-R151 HydrophobicContact CE2-CG 4.21Å; F119-R151 HydrophobicContact CG-CG 4.21Å; F119-R151 HydrophobicContact CZ-CB 3.59Å; F119-R151 HydrophobicContact CZ-CG 4.16Å; E147-R151 VanDerWaalsContact O-CB 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 PolarHBondContact O-N 2.78Å; E147-R151 IonicContact OE1-NH1 3.85Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.88Å; R151-V153 VanDerWaalsContact C-N 3.27Å; R151-V153 PolarHBondContact O-N 2.89Å
152	A	97.6	Very high	97.8	Very high	45 Å²	45	16.3 Å²	16.3	37%	0.372	8%	0.083	S	C	.	.	H	α-helix	trans	-68.4	-27.9	-176.3	0	0	0	0	0	112.8	R148 L149 L150 F231 P232	R148-A152 VanDerWaalsContact O-CB 3.29Å; R148-A152 WeakPolarHBondContact O-CB 3.27Å; R148-A152 PolarHBondContact O-N 2.99Å; L149-A152 PolarHBondContact O-N 2.91Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 3.46Å; A152-F231 HydrophobicContact CB-CE1 4.21Å; A152-F231 HydrophobicContact CB-CE2 3.94Å; A152-F231 HydrophobicContact CB-CZ 3.65Å; A152-P232 HydrophobicContact CB-CG 3.57Å
153	V	98.3	Very high	98	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	7%	0.071	C	C	.	.	H	α-helix	trans	-106.5	-4.6	177.8	-57.5	0	0	0	0	113.8	Y135 M137 L149 L150 R151 A155 Y160 P232	Y135-V153 HydrophobicContact CE1-CB 4.3Å; Y135-V153 HydrophobicContact CE1-CG1 4.38Å; Y135-V153 HydrophobicContact CE1-CG2 4.49Å; M137-V153 HydrophobicContact CE-CG2 3.44Å; M137-V153 VanDerWaalsContact CE-CG2 3.44Å; L149-V153 HydrophobicContact CD1-CG1 4.23Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 2.85Å; L149-V153 VanDerWaalsContact O-N 3.11Å; L150-V153 CarbonylContact O-C 3.58Å; L150-V153 PolarHBondContact O-N 2.93Å; R151-V153 VanDerWaalsContact C-N 3.27Å; R151-V153 PolarHBondContact O-N 2.89Å; V153-A155 PolarHBondContact O-N 2.94Å; V153-Y160 HydrophobicContact CG2-CD1 4.47Å; V153-Y160 HydrophobicContact CG2-CE1 3.83Å; V153-Y160 PolarHBondContact O-OH 2.87Å; V153-P232 HydrophobicContact CG1-CB 3.97Å; V153-P232 HydrophobicContact CG1-CG 3.8Å
154	Y	98.5	Very high	98	Very high	17 Å²	17	13.5 Å²	13.5	7%	0.067	7%	0.071	C	C	.	.			trans	-68.4	126.6	-174.2	-176.1	-96.8	0	0	0	111.7	F119 I120 L150 Y160 F183 N185 V186	F119-Y154 AromaticContact CD1-CD1 3.97Å; F119-Y154 HydrophobicContact CD1-CD1 3.97Å; F119-Y154 AromaticContact CD1-CG 3.95Å; F119-Y154 HydrophobicContact CD1-CG 3.95Å; F119-Y154 HydrophobicContact CE1-CG 4.37Å; I120-Y154 VanDerWaalsContact O-CD1 3.22Å; I120-Y154 WeakPolarHBondContact O-CD1 3.37Å; I120-Y154 VanDerWaalsContact O-CE1 3.25Å; I120-Y154 WeakPolarHBondContact O-CE1 3.05Å; L150-Y154 HydrophobicContact CD1-CD2 4.49Å; L150-Y154 WeakPolarHBondContact O-CA 3.21Å; L150-Y154 WeakPolarHBondContact O-CB 3.39Å; L150-Y154 PolarHBondContact O-N 2.98Å; Y154-Y160 VanDerWaalsContact CA-OH 3.24Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.19Å; Y154-Y160 HydrophobicContact CD2-CD2 4.32Å; Y154-Y160 AromaticContact CD2-CE2 3.83Å; Y154-Y160 HydrophobicContact CD2-CE2 3.83Å; Y154-Y160 HydrophobicContact CE2-CE2 4.17Å; Y154-F183 HydrophobicContact CD1-CE1 4.47Å; Y154-F183 HydrophobicContact CD2-CD1 4.22Å; Y154-F183 AromaticContact CE1-CD1 3.98Å; Y154-F183 HydrophobicContact CE1-CD1 3.98Å; Y154-F183 HydrophobicContact CE1-CE1 4.14Å; Y154-F183 HydrophobicContact CE2-CB 4.05Å; Y154-F183 AromaticContact CE2-CD1 3.53Å; Y154-F183 HydrophobicContact CE2-CD1 3.53Å; Y154-F183 HydrophobicContact CE2-CE1 4.2Å; Y154-F183 AromaticContact CE2-CG 3.92Å; Y154-F183 HydrophobicContact CE2-CG 3.92Å; Y154-F183 AromaticContact CZ-CD1 3.39Å; Y154-N185 WeakPolarHBondContact CE2-OD1 3.33Å; Y154-N185 PolarHBondContact OH-OD1 3.42Å; Y154-V186 HydrophobicContact CD2-CG2 4.25Å; Y154-V186 HydrophobicContact CE2-CG2 3.95Å
155	A	97.7	Very high	98.1	Very high	7 Å²	7	13.3 Å²	13.3	6%	0.058	7%	0.07	C	C	.	.			trans	-140.2	141	165.7	0	0	0	0	0	108.6	V153 Q157 N158 Y160 N185	V153-A155 PolarHBondContact O-N 2.94Å; A155-Q157 PolarHBondContact O-N 3.27Å; A155-N158 HydrophobicContact CB-CB 4.47Å; A155-N158 PolarHBondContact O-N 2.77Å; A155-N158 VanDerWaalsContact O-N 3.14Å; A155-Y160 PolarHBondContact N-OH 2.05Å; A155-N185 PolarHBondContact O-ND2 3.04Å
156	P	97.1	Very high	98.2	Very high	38 Å²	38	17.1 Å²	17.1	25%	0.247	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.3	-172.4	25.8	-35.9	0	0	0	114.1	F122 P123 N185	F122-P156 VanDerWaalsContact C-CG 3.45Å; P123-P156 HydrophobicContact CG-CG 3.99Å; P156-N185 PolarHBondContact O-ND2 3.31Å
157	Q	98.1	Very high	98.2	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.103	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21	176.9	67.3	-84.5	13.5	0	0	113.9	E128 P132 A155 V218	E128-Q157 WeakPolarHBondContact O-CG 3.27Å; P132-Q157 WeakPolarHBondContact CB-O 3.17Å; A155-Q157 PolarHBondContact O-N 3.27Å; Q157-V218 WeakPolarHBondContact O-CG1 3.45Å
158	N	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-78.9	175.9	-179.1	-72.8	-11.9	0	0	0	111.2	I133 A155 Y160 N185 N236	I133-N158 PolarHBondContact N-OD1 3.32Å; I133-N158 WeakPolarHBondContact O-CA 3.43Å; I133-N158 VanDerWaalsContact O-CB 3.27Å; I133-N158 WeakPolarHBondContact O-CB 3.33Å; A155-N158 HydrophobicContact CB-CB 4.47Å; A155-N158 PolarHBondContact O-N 2.77Å; A155-N158 VanDerWaalsContact O-N 3.14Å; N158-Y160 HydrophobicContact CB-CE2 3.66Å; N158-Y160 WeakPolarHBondContact CB-OH 3.33Å; N158-Y160 PolarHBondContact ND2-OH 2.8Å; N158-N185 WeakPolarHBondContact O-CB 3.38Å; N158-N185 PolarHBondContact O-ND2 2.9Å; N158-N236 PolarHBondContact ND2-OD1 2.81Å
159	I	98.9	Very high	98.2	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139	177.6	-171.2	75.6	0	0	0	111.2	I133 A134 Y135 N185 F187 L213 V218 W220	I133-I159 PolarHBondContact O-N 3.02Å; A134-I159 CarbonylContact C-O 3.6Å; A134-I159 WeakPolarHBondContact CA-O 3.47Å; A134-I159 HydrophobicContact CB-CG2 3.64Å; Y135-I159 PolarHBondContact N-O 3Å; I159-N185 HydrophobicContact CD1-CB 4.2Å; I159-N185 WeakPolarHBondContact CD1-O 3.34Å; I159-F187 HydrophobicContact CD1-CD1 4.15Å; I159-F187 HydrophobicContact CD1-CE1 3.87Å; I159-F187 HydrophobicContact CG1-CD1 4.48Å; I159-F187 HydrophobicContact CG1-CE1 3.77Å; I159-L213 HydrophobicContact CB-CD2 4.37Å; I159-L213 HydrophobicContact CG1-CD2 3.88Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; I159-V218 HydrophobicContact CB-CB 4.14Å; I159-V218 HydrophobicContact CB-CG1 4.21Å; I159-V218 HydrophobicContact CB-CG2 4.23Å; I159-V218 HydrophobicContact CD1-CG2 4.06Å; I159-V218 HydrophobicContact CG2-CB 4.36Å; I159-V218 HydrophobicContact CG2-CG1 4.26Å; I159-W220 HydrophobicContact CG2-CB 4.17Å; I159-W220 HydrophobicContact CG2-CG 4.04Å
160	Y	98.9	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.4	-171.2	-53.1	-92.2	0	0	0	110.9	Y135 M137 L150 V153 Y154 A155 N158 N185 V186 F187	Y135-Y160 AromaticContact CD2-CD1 3.6Å; Y135-Y160 HydrophobicContact CD2-CD1 3.6Å; Y135-Y160 AromaticContact CD2-CE1 3.25Å; Y135-Y160 HydrophobicContact CD2-CE1 3.25Å; Y135-Y160 AromaticContact CE2-CE1 3.74Å; Y135-Y160 HydrophobicContact CE2-CE1 3.74Å; Y135-Y160 AromaticContact CG-CD1 3.89Å; Y135-Y160 HydrophobicContact CG-CD1 3.89Å; Y135-Y160 AromaticContact CG-CE1 3.9Å; Y135-Y160 HydrophobicContact CG-CE1 3.9Å; M137-Y160 HydrophobicContact CE-CD1 3.81Å; M137-Y160 HydrophobicContact CE-CE1 4.34Å; L150-Y160 HydrophobicContact CD1-CD1 4.13Å; L150-Y160 HydrophobicContact CD1-CG 4.22Å; V153-Y160 HydrophobicContact CG2-CD1 4.47Å; V153-Y160 HydrophobicContact CG2-CE1 3.83Å; V153-Y160 PolarHBondContact O-OH 2.87Å; Y154-Y160 VanDerWaalsContact CA-OH 3.24Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.19Å; Y154-Y160 HydrophobicContact CD2-CD2 4.32Å; Y154-Y160 AromaticContact CD2-CE2 3.83Å; Y154-Y160 HydrophobicContact CD2-CE2 3.83Å; Y154-Y160 HydrophobicContact CE2-CE2 4.17Å; A155-Y160 PolarHBondContact N-OH 2.05Å; N158-Y160 HydrophobicContact CB-CE2 3.66Å; N158-Y160 WeakPolarHBondContact CB-OH 3.33Å; N158-Y160 PolarHBondContact ND2-OH 2.8Å; Y160-N185 WeakPolarHBondContact CD2-O 3.42Å; Y160-N185 PolarHBondContact N-O 3.45Å; Y160-V186 HydrophobicContact CD2-CG2 3.79Å; Y160-V186 HydrophobicContact CG-CG2 4.17Å; Y160-V186 WeakPolarHBondContact O-CA 3.44Å; Y160-F187 WeakPolarHBondContact O-CD1 3.46Å; Y160-F187 PolarHBondContact O-N 3.35Å
161	C	98.9	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.4	168.9	177.8	0	0	0	0	110	Y135 S136 M137 F187 C209 L213	Y135-C161 PolarHBondContact O-N 3.25Å; S136-C161 CarbonylContact C-O 3.55Å; S136-C161 WeakPolarHBondContact CA-O 3.39Å; M137-C161 PolarHBondContact N-O 3.33Å; C161-F187 CarbonylContact C-O 3.59Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.37Å; C161-F187 HydrophobicContact CB-CE2 3.69Å; C161-F187 HydrophobicContact CB-CZ 3.65Å; C161-C209 VanDerWaalsContact C-SG 3.57Å; C161-C209 HydrophobicContact CB-CB 3.64Å; C161-C209 WeakPolarHBondContact CB-SG 3.46Å; C161-C209 WeakPolarHBondContact SG-CA 3.39Å; C161-C209 WeakPolarHBondContact SG-CB 3.24Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 2.75Å; C161-L213 HydrophobicContact CB-CD1 4Å; C161-L213 HydrophobicContact CB-CD2 3.95Å; C161-L213 HydrophobicContact CB-CG 3.79Å
162	I	98.9	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	179.6	-46	-52.5	0	0	0	108.6	M137 I139 F146 V164 V176 I180 V186 F187 I188 A189	M137-I162 HydrophobicContact CB-CD1 3.74Å; M137-I162 HydrophobicContact CG-CD1 3.76Å; M137-I162 HydrophobicContact SD-CD1 3.72Å; I139-I162 HydrophobicContact CD1-CG2 3.56Å; I139-I162 HydrophobicContact CG1-CG2 3.97Å; F146-I162 HydrophobicContact CE2-CD1 3.8Å; F146-I162 HydrophobicContact CE2-CG1 4.23Å; F146-I162 HydrophobicContact CE2-CG2 4.1Å; F146-I162 HydrophobicContact CZ-CD1 4.17Å; F146-I162 HydrophobicContact CZ-CG1 4.18Å; F146-I162 HydrophobicContact CZ-CG2 4.25Å; I162-V164 HydrophobicContact CG2-CG2 4.04Å; I162-V176 HydrophobicContact CG2-CG1 4Å; I162-I180 HydrophobicContact CG1-CG2 4.07Å; I162-V186 HydrophobicContact CD1-CG1 4.03Å; I162-V186 HydrophobicContact CG1-CG1 3.8Å; I162-F187 PolarHBondContact N-O 3.19Å; I162-I188 HydrophobicContact CB-CG1 4.49Å; I162-I188 CarbonylContact O-C 3.59Å; I162-I188 VanDerWaalsContact O-CA 3.32Å; I162-I188 WeakPolarHBondContact O-CA 3.45Å; I162-A189 PolarHBondContact O-N 2.86Å
163	H	98.8	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.7	168.4	-176	-76.3	0	0	0	108.8	M137 V138 I139 A189 V193 A205	M137-H163 PolarHBondContact O-N 2.68Å; V138-H163 WeakPolarHBondContact CA-O 3.39Å; V138-H163 HydrophobicContact CG2-CB 4.2Å; I139-H163 PolarHBondContact N-O 2.87Å; H163-A189 HydrophobicContact CB-CB 4.43Å; H163-V193 PolarHBondContact CE1-O 3.13Å; H163-V193 WeakPolarHBondContact NE2-CG2 3.43Å; H163-V193 PolarHBondContact NE2-N 2.82Å; H163-V193 VanDerWaalsContact NE2-N 3.15Å; H163-A205 HydrophobicContact CB-CB 4.43Å
164	V	98.6	Very high	98.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.9	174.7	-172.7	0	0	0	0	108.4	I139 I162 E166 F172 K173 V176 I188	I139-V164 HydrophobicContact CD1-CG2 4.26Å; I139-V164 HydrophobicContact CG1-CG2 4.15Å; I139-V164 WeakPolarHBondContact O-CA 3.32Å; I162-V164 HydrophobicContact CG2-CG2 4.04Å; V164-E166 PolarHBondContact O-N 2.97Å; V164-F172 HydrophobicContact CG1-CD1 4.03Å; V164-F172 HydrophobicContact CG1-CE1 3.9Å; V164-K173 HydrophobicContact CG1-CG 3.81Å; V164-V176 HydrophobicContact CG2-CB 4.25Å; V164-V176 HydrophobicContact CG2-CG1 3.75Å; V164-V176 HydrophobicContact CG2-CG2 4.33Å; V164-I188 HydrophobicContact CG2-CG1 4.47Å
165	D	98.3	Very high	98.3	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.027	16%	0.162	C	C	.	.			trans	-56	132.1	177.9	-167.5	-29.8	0	0	0	110.8	I139 H140 K167 S168 R194 V195	I139-D165 PolarHBondContact O-N 3.23Å; H140-D165 HydrophobicContact CB-CB 3.64Å; D165-K167 HydrophobicContact CB-CG 4.47Å; D165-K167 PolarHBondContact O-N 2.76Å; D165-K167 VanDerWaalsContact O-N 3.15Å; D165-K167 WeakPolarHBondContact OD1-CD 3.37Å; D165-K167 VanDerWaalsContact OD1-CG 3.27Å; D165-K167 WeakPolarHBondContact OD1-CG 3.25Å; D165-K167 PolarHBondContact OD1-N 3.24Å; D165-K167 WeakPolarHBondContact OD2-CD 3.34Å; D165-K167 WeakPolarHBondContact OD2-CE 3.18Å; D165-K167 IonicContact OD2-NZ 2.81Å; D165-K167 PolarHBondContact OD2-NZ 3.17Å; D165-S168 VanDerWaalsContact O-CB 3.26Å; D165-S168 WeakPolarHBondContact O-CB 3.21Å; D165-S168 PolarHBondContact O-N 2.85Å; D165-S168 PolarHBondContact O-OG 2.89Å; D165-R194 WeakPolarHBondContact OD1-CA 3.47Å; D165-V195 PolarHBondContact OD1-N 3.08Å; D165-V195 VanDerWaalsContact OD1-N 3.13Å; D165-V195 WeakPolarHBondContact OD2-CB 3.46Å; D165-V195 PolarHBondContact OD2-N 2.96Å
166	E	97.7	Very high	98.3	Very high	100 Å²	100	31.1 Å²	31.1	47%	0.467	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.4	-179.9	-71.7	-175.1	142.2	0	0	112.7	V164 S168 K173 L192 V193 R194	V164-E166 PolarHBondContact O-N 2.97Å; E166-S168 VanDerWaalsContact C-N 3.27Å; E166-S168 PolarHBondContact O-N 3.44Å; E166-K173 WeakPolarHBondContact O-CE 3.29Å; E166-K173 PolarHBondContact O-NZ 3.24Å; E166-L192 HydrophobicContact CG-CB 3.65Å; E166-V193 PolarHBondContact N-O 3.26Å; E166-R194 HydrophobicContact CB-CB 4.32Å; E166-R194 PolarHBondContact OE2-N 3.5Å
167	K	96.6	Very high	98.4	Very high	106 Å²	106	34.5 Å²	34.5	46%	0.461	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.8	178.2	81.9	-157.5	-174.4	-172	0	113.9	D165 R194 V195	D165-K167 HydrophobicContact CB-CG 4.47Å; D165-K167 PolarHBondContact O-N 2.76Å; D165-K167 VanDerWaalsContact O-N 3.15Å; D165-K167 WeakPolarHBondContact OD1-CD 3.37Å; D165-K167 VanDerWaalsContact OD1-CG 3.27Å; D165-K167 WeakPolarHBondContact OD1-CG 3.25Å; D165-K167 PolarHBondContact OD1-N 3.24Å; D165-K167 WeakPolarHBondContact OD2-CD 3.34Å; D165-K167 WeakPolarHBondContact OD2-CE 3.18Å; D165-K167 IonicContact OD2-NZ 2.81Å; D165-K167 PolarHBondContact OD2-NZ 3.17Å; K167-R194 HydrophobicContact CB-CG 4.36Å; K167-R194 HydrophobicContact CD-CG 4.43Å; K167-V195 PolarHBondContact NZ-O 3.22Å
168	S	97.7	Very high	98.4	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	17%	0.172	C	C	.	.	S	Bend	trans	-63.3	148.9	177.9	-69.3	0	0	0	0	112	H140 D165 E166 K173	H140-S168 VanDerWaalsContact C-OG 3.26Å; H140-S168 WeakPolarHBondContact CA-OG 3.47Å; H140-S168 WeakPolarHBondContact O-CB 3.04Å; H140-S168 PolarHBondContact O-OG 2.66Å; D165-S168 VanDerWaalsContact O-CB 3.26Å; D165-S168 WeakPolarHBondContact O-CB 3.21Å; D165-S168 PolarHBondContact O-N 2.85Å; D165-S168 PolarHBondContact O-OG 2.89Å; E166-S168 VanDerWaalsContact C-N 3.27Å; E166-S168 PolarHBondContact O-N 3.44Å; S168-K173 WeakPolarHBondContact O-CE 3.29Å; S168-K173 PolarHBondContact O-NZ 3.13Å
169	P	98	Very high	98.4	Very high	78 Å²	78	34.3 Å²	34.3	51%	0.506	17%	0.172	S	C	.	.			trans	-54.6	144.5	173.6	-24.5	34.1	0	0	0	111.9	T171 F172 K173	P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 3Å; P169-F172 HydrophobicContact CB-CB 4.39Å; P169-F172 WeakPolarHBondContact O-CB 3.44Å; P169-F172 PolarHBondContact O-N 3.37Å; P169-K173 PolarHBondContact O-N 2.8Å; P169-K173 VanDerWaalsContact O-N 3.16Å
170	E	98	Very high	98.4	Very high	93 Å²	93	34.7 Å²	34.7	44%	0.435	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-37.2	-178.5	-165.6	57.2	-142.9	0	0	111.9	F172 K173 E174	E170-F172 PolarHBondContact O-N 2.98Å; E170-K173 WeakPolarHBondContact O-CB 3.38Å; E170-K173 PolarHBondContact O-N 2.93Å; E170-K173 VanDerWaalsContact O-N 3.08Å; E170-K173 WeakPolarHBondContact OE2-CD 3.42Å; E170-K173 IonicContact OE2-NZ 2.91Å; E170-E174 HydrophobicContact CG-CG 4.43Å; E170-E174 WeakPolarHBondContact O-CG 3.37Å; E170-E174 PolarHBondContact O-N 3.25Å
171	T	98.3	Very high	98.4	Very high	65 Å²	65	38.8 Å²	38.8	40%	0.399	20%	0.203	S	C	.	.	H	α-helix	trans	-57.7	-36.7	174.8	57.1	0	0	0	0	112.6	D100 P169 A175	D100-T171 PolarHBondContact OD2-OG1 3.42Å; P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 3Å; T171-A175 WeakPolarHBondContact O-CB 3.29Å; T171-A175 PolarHBondContact O-N 3.03Å
172	F	98.5	Very high	98.3	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-45.2	176.8	177.5	-100.6	0	0	0	110.5	D100 I139 E141 I143 V164 P169 E170 E174 A175 V176	D100-F172 WeakPolarHBondContact OD2-CA 3.04Å; D100-F172 PolarHBondContact OD2-N 2.75Å; I139-F172 HydrophobicContact CB-CZ 4.43Å; I139-F172 HydrophobicContact CD1-CE1 4.27Å; I139-F172 HydrophobicContact CD1-CZ 3.99Å; I139-F172 HydrophobicContact CG1-CE1 4.24Å; I139-F172 HydrophobicContact CG1-CZ 4.23Å; E141-F172 WeakPolarHBondContact O-CE2 3.46Å; E141-F172 WeakPolarHBondContact O-CZ 3.46Å; I143-F172 HydrophobicContact CB-CD2 4.09Å; I143-F172 HydrophobicContact CB-CE2 4Å; I143-F172 HydrophobicContact CD1-CD2 4.18Å; I143-F172 HydrophobicContact CD1-CE2 3.96Å; V164-F172 HydrophobicContact CG1-CD1 4.03Å; V164-F172 HydrophobicContact CG1-CE1 3.9Å; P169-F172 HydrophobicContact CB-CB 4.39Å; P169-F172 WeakPolarHBondContact O-CB 3.44Å; P169-F172 PolarHBondContact O-N 3.37Å; E170-F172 PolarHBondContact O-N 2.98Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.36Å; F172-A175 PolarHBondContact O-N 3.11Å; F172-V176 HydrophobicContact CD1-CG2 4.29Å; F172-V176 HydrophobicContact CE1-CG2 3.92Å; F172-V176 HydrophobicContact CE2-CG2 4.3Å; F172-V176 HydrophobicContact CZ-CG2 3.92Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 3.29Å
173	K	98.6	Very high	98.3	Very high	37 Å²	37	39.5 Å²	39.5	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-43.6	176.3	-65.9	173.8	-176.5	167.3	0	111.6	V164 E166 S168 P169 E170 V176 K177	V164-K173 HydrophobicContact CG1-CG 3.81Å; E166-K173 WeakPolarHBondContact O-CE 3.29Å; E166-K173 PolarHBondContact O-NZ 3.24Å; S168-K173 WeakPolarHBondContact O-CE 3.29Å; S168-K173 PolarHBondContact O-NZ 3.13Å; P169-K173 PolarHBondContact O-N 2.8Å; P169-K173 VanDerWaalsContact O-N 3.16Å; E170-K173 WeakPolarHBondContact O-CB 3.38Å; E170-K173 PolarHBondContact O-N 2.93Å; E170-K173 VanDerWaalsContact O-N 3.08Å; E170-K173 WeakPolarHBondContact OE2-CD 3.42Å; E170-K173 IonicContact OE2-NZ 2.91Å; K173-V176 PolarHBondContact O-N 3.32Å; K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 2.93Å
174	E	98.6	Very high	98.2	Very high	89 Å²	89	46 Å²	46	42%	0.416	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-44.9	175	-71	177.6	169.4	0	0	111.6	L104 E170 F172 V176 K177 A178	L104-E174 HydrophobicContact CD2-CB 3.99Å; E170-E174 HydrophobicContact CG-CG 4.43Å; E170-E174 WeakPolarHBondContact O-CG 3.37Å; E170-E174 PolarHBondContact O-N 3.25Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.36Å; E174-V176 PolarHBondContact O-N 3.42Å; E174-K177 WeakPolarHBondContact O-CB 3.4Å; E174-K177 PolarHBondContact O-N 2.91Å; E174-A178 WeakPolarHBondContact O-CB 3.43Å; E174-A178 PolarHBondContact O-N 3.07Å
175	A	98.7	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-39.4	178.1	0	0	0	0	0	112.2	D100 L104 I143 T171 F172 A178 I179	D100-A175 HydrophobicContact CB-CB 3.89Å; L104-A175 HydrophobicContact CD2-CB 4.37Å; L104-A175 HydrophobicContact CG-CB 4.34Å; I143-A175 HydrophobicContact CD1-CB 3.76Å; I143-A175 HydrophobicContact CG1-CB 3.92Å; T171-A175 WeakPolarHBondContact O-CB 3.29Å; T171-A175 PolarHBondContact O-N 3.03Å; F172-A175 PolarHBondContact O-N 3.11Å; A175-A178 PolarHBondContact O-N 3.19Å; A175-I179 WeakPolarHBondContact O-CG1 3.38Å; A175-I179 PolarHBondContact O-N 2.92Å
176	V	98.8	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-50.4	172.5	173.4	0	0	0	0	110.4	I139 I143 F146 I162 V164 F172 K173 E174 A178 I179 I180 I188	I139-V176 HydrophobicContact CD1-CG1 4.23Å; I139-V176 HydrophobicContact CD1-CG2 3.72Å; I143-V176 HydrophobicContact CD1-CG2 3.67Å; F146-V176 HydrophobicContact CD1-CG2 4.16Å; F146-V176 HydrophobicContact CE1-CB 4.46Å; F146-V176 HydrophobicContact CE1-CG1 4.03Å; F146-V176 HydrophobicContact CE1-CG2 4.24Å; F146-V176 HydrophobicContact CZ-CG1 4.27Å; I162-V176 HydrophobicContact CG2-CG1 4Å; V164-V176 HydrophobicContact CG2-CB 4.25Å; V164-V176 HydrophobicContact CG2-CG1 3.75Å; V164-V176 HydrophobicContact CG2-CG2 4.33Å; F172-V176 HydrophobicContact CD1-CG2 4.29Å; F172-V176 HydrophobicContact CE1-CG2 3.92Å; F172-V176 HydrophobicContact CE2-CG2 4.3Å; F172-V176 HydrophobicContact CZ-CG2 3.92Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 3.29Å; K173-V176 PolarHBondContact O-N 3.32Å; E174-V176 PolarHBondContact O-N 3.42Å; V176-A178 VanDerWaalsContact C-N 3.25Å; V176-A178 PolarHBondContact O-N 3.12Å; V176-I179 PolarHBondContact O-N 2.67Å; V176-I180 HydrophobicContact CG1-CG2 4.25Å; V176-I180 WeakPolarHBondContact O-CG2 3.28Å; V176-I180 PolarHBondContact O-N 3.36Å; V176-I188 HydrophobicContact CG1-CD1 4.37Å
177	K	98.7	Very high	98.3	Very high	109 Å²	109	44.4 Å²	44.4	47%	0.474	24%	0.241	S	C	.	.	H	α-helix	trans	-54.6	-42.5	176.6	-74.5	169	-177.6	170.1	0	111.8	K173 E174 I180 S181 I188	K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 2.93Å; E174-K177 WeakPolarHBondContact O-CB 3.4Å; E174-K177 PolarHBondContact O-N 2.91Å; K177-I180 WeakPolarHBondContact O-CG1 3.33Å; K177-S181 WeakPolarHBondContact O-CB 3.39Å; K177-S181 PolarHBondContact O-N 3.46Å; K177-S181 VanDerWaalsContact O-N 3.09Å; K177-I188 HydrophobicContact CB-CD1 4.43Å; K177-I188 HydrophobicContact CG-CD1 3.42Å; K177-I188 VanDerWaalsContact CG-CD1 3.42Å
178	A	98.6	Very high	98.4	Very high	18 Å²	18	41.6 Å²	41.6	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-43.9	179.9	0	0	0	0	0	111.9	L104 T107 E174 A175 V176 S181	L104-A178 HydrophobicContact CD2-CB 3.84Å; T107-A178 VanDerWaalsContact OG1-CB 3.23Å; T107-A178 WeakPolarHBondContact OG1-CB 3.41Å; E174-A178 WeakPolarHBondContact O-CB 3.43Å; E174-A178 PolarHBondContact O-N 3.07Å; A175-A178 PolarHBondContact O-N 3.19Å; V176-A178 VanDerWaalsContact C-N 3.25Å; V176-A178 PolarHBondContact O-N 3.12Å; A178-S181 PolarHBondContact O-N 3.14Å; A178-S181 PolarHBondContact O-OG 3.37Å
179	I	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-51	175.8	-69.2	168.6	0	0	0	111.5	Y103 T107 F113 I143 F146 E147 L150 A175 V176 S181 C182 F183	Y103-I179 HydrophobicContact CD1-CD1 3.69Å; Y103-I179 HydrophobicContact CD1-CG1 3.92Å; Y103-I179 HydrophobicContact CD2-CD1 4.43Å; Y103-I179 HydrophobicContact CE1-CD1 4.22Å; Y103-I179 HydrophobicContact CG-CD1 3.82Å; Y103-I179 HydrophobicContact CG-CG1 4.27Å; T107-I179 HydrophobicContact CG2-CB 4.48Å; T107-I179 HydrophobicContact CG2-CG1 3.92Å; F113-I179 HydrophobicContact CE1-CG2 4.25Å; F113-I179 HydrophobicContact CZ-CG1 4.23Å; F113-I179 HydrophobicContact CZ-CG2 3.99Å; I143-I179 HydrophobicContact CD1-CD1 3.71Å; I143-I179 HydrophobicContact CG1-CD1 3.82Å; F146-I179 HydrophobicContact CD1-CD1 4.14Å; F146-I179 HydrophobicContact CE1-CB 4.29Å; F146-I179 HydrophobicContact CE1-CD1 4.19Å; F146-I179 HydrophobicContact CE1-CG2 4Å; E147-I179 HydrophobicContact CB-CD1 4.28Å; L150-I179 HydrophobicContact CD2-CG2 4.08Å; A175-I179 WeakPolarHBondContact O-CG1 3.38Å; A175-I179 PolarHBondContact O-N 2.92Å; V176-I179 PolarHBondContact O-N 2.67Å; I179-S181 VanDerWaalsContact C-N 3.26Å; I179-S181 PolarHBondContact O-N 3.32Å; I179-C182 WeakPolarHBondContact O-CB 3.4Å; I179-C182 PolarHBondContact O-N 3.26Å; I179-F183 HydrophobicContact CG2-CE2 4.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.38Å; I179-F183 WeakPolarHBondContact O-CE2 3.48Å
180	I	98.3	Very high	98.5	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-28.4	-174.4	72.1	-177.6	0	0	0	112	F146 I162 V176 K177 C182 F183 V186 I188	F146-I180 HydrophobicContact CE1-CG2 4.46Å; F146-I180 HydrophobicContact CZ-CG2 4.04Å; I162-I180 HydrophobicContact CG1-CG2 4.07Å; V176-I180 HydrophobicContact CG1-CG2 4.25Å; V176-I180 WeakPolarHBondContact O-CG2 3.28Å; V176-I180 PolarHBondContact O-N 3.36Å; K177-I180 WeakPolarHBondContact O-CG1 3.33Å; I180-C182 PolarHBondContact O-N 3.02Å; I180-F183 PolarHBondContact O-N 3.24Å; I180-F183 VanDerWaalsContact O-O 3.1Å; I180-V186 HydrophobicContact CB-CB 4.2Å; I180-V186 HydrophobicContact CB-CG1 3.77Å; I180-V186 HydrophobicContact CG2-CB 4.43Å; I180-V186 HydrophobicContact CG2-CG1 3.49Å; I180-V186 VanDerWaalsContact CG2-CG1 3.49Å; I180-I188 HydrophobicContact CD1-CB 4.16Å; I180-I188 HydrophobicContact CD1-CD1 3.47Å; I180-I188 VanDerWaalsContact CD1-CD1 3.47Å; I180-I188 HydrophobicContact CD1-CG1 3.42Å; I180-I188 VanDerWaalsContact CD1-CG1 3.42Å
181	S	98.3	Very high	98.5	Very high	86 Å²	86	41.8 Å²	41.8	60%	0.601	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.3	178.1	74.7	0	0	0	0	113.3	K177 A178 I179 F183	K177-S181 WeakPolarHBondContact O-CB 3.39Å; K177-S181 PolarHBondContact O-N 3.46Å; K177-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 PolarHBondContact O-N 3.14Å; A178-S181 PolarHBondContact O-OG 3.37Å; I179-S181 VanDerWaalsContact C-N 3.26Å; I179-S181 PolarHBondContact O-N 3.32Å; S181-F183 VanDerWaalsContact C-N 3.28Å; S181-F183 PolarHBondContact O-N 3.27Å
182	C	98.6	Very high	98.5	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.061	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.1	175.1	-63.7	0	0	0	0	114.7	C110 F113 I179 I180	C110-C182 WeakPolarHBondContact CA-SG 3.28Å; C110-C182 HydrophobicContact CB-CB 3.56Å; C110-C182 WeakPolarHBondContact CB-SG 3.05Å; C110-C182 WeakPolarHBondContact SG-CA 3.46Å; C110-C182 WeakPolarHBondContact SG-CB 3.41Å; C110-C182 CovalentContact SG-SG 2.05Å; C110-C182 PolarHBondContact SG-SG 3.25Å; F113-C182 HydrophobicContact CD1-CB 4.06Å; F113-C182 HydrophobicContact CE1-CB 4.41Å; I179-C182 WeakPolarHBondContact O-CB 3.4Å; I179-C182 PolarHBondContact O-N 3.26Å; I180-C182 PolarHBondContact O-N 3.02Å
183	F	98.3	Very high	98.5	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.031	23%	0.233	C	C	.	.			trans	-131.7	127.4	-177.1	-53.8	-79	0	0	0	111.4	F113 K114 F119 L150 Y154 I179 I180 S181 N185 V186	F113-F183 AromaticContact CE1-CE2 3.81Å; F113-F183 HydrophobicContact CE1-CE2 3.81Å; F113-F183 AromaticContact CE1-CZ 3.86Å; F113-F183 HydrophobicContact CE1-CZ 3.86Å; K114-F183 HydrophobicContact CD-CD1 4.24Å; K114-F183 HydrophobicContact CD-CE1 3.81Å; K114-F183 HydrophobicContact CD-CZ 4.44Å; K114-F183 HydrophobicContact CG-CE1 3.79Å; K114-F183 HydrophobicContact CG-CZ 3.99Å; F119-F183 HydrophobicContact CB-CE1 4.23Å; F119-F183 HydrophobicContact CB-CZ 4.5Å; F119-F183 AromaticContact CD1-CE1 3.52Å; F119-F183 HydrophobicContact CD1-CE1 3.52Å; F119-F183 HydrophobicContact CD1-CE2 4.46Å; F119-F183 AromaticContact CD1-CZ 3.39Å; F119-F183 HydrophobicContact CD1-CZ 3.39Å; F119-F183 AromaticContact CD2-CZ 3.95Å; F119-F183 HydrophobicContact CD2-CZ 3.95Å; F119-F183 AromaticContact CE1-CE1 3.93Å; F119-F183 HydrophobicContact CE1-CE1 3.93Å; F119-F183 HydrophobicContact CE1-CE2 4.05Å; F119-F183 AromaticContact CE1-CZ 3.36Å; F119-F183 HydrophobicContact CE1-CZ 3.36Å; F119-F183 AromaticContact CE2-CZ 3.94Å; F119-F183 HydrophobicContact CE2-CZ 3.94Å; F119-F183 AromaticContact CG-CE1 3.84Å; F119-F183 HydrophobicContact CG-CE1 3.84Å; F119-F183 AromaticContact CG-CZ 3.68Å; F119-F183 HydrophobicContact CG-CZ 3.68Å; F119-F183 HydrophobicContact CZ-CE2 4.18Å; F119-F183 AromaticContact CZ-CZ 3.65Å; F119-F183 HydrophobicContact CZ-CZ 3.65Å; L150-F183 HydrophobicContact CD2-CD2 4.45Å; L150-F183 HydrophobicContact CD2-CE2 4.24Å; Y154-F183 HydrophobicContact CD1-CE1 4.47Å; Y154-F183 HydrophobicContact CD2-CD1 4.22Å; Y154-F183 AromaticContact CE1-CD1 3.98Å; Y154-F183 HydrophobicContact CE1-CD1 3.98Å; Y154-F183 HydrophobicContact CE1-CE1 4.14Å; Y154-F183 HydrophobicContact CE2-CB 4.05Å; Y154-F183 AromaticContact CE2-CD1 3.53Å; Y154-F183 HydrophobicContact CE2-CD1 3.53Å; Y154-F183 HydrophobicContact CE2-CE1 4.2Å; Y154-F183 AromaticContact CE2-CG 3.92Å; Y154-F183 HydrophobicContact CE2-CG 3.92Å; Y154-F183 AromaticContact CZ-CD1 3.39Å; I179-F183 HydrophobicContact CG2-CE2 4.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.38Å; I179-F183 WeakPolarHBondContact O-CE2 3.48Å; I180-F183 PolarHBondContact O-N 3.24Å; I180-F183 VanDerWaalsContact O-O 3.1Å; S181-F183 VanDerWaalsContact C-N 3.28Å; S181-F183 PolarHBondContact O-N 3.27Å; F183-N185 PolarHBondContact O-N 3.17Å; F183-V186 HydrophobicContact CB-CB 3.98Å; F183-V186 HydrophobicContact CB-CG2 3.51Å; F183-V186 HydrophobicContact CD2-CG2 4.26Å; F183-V186 HydrophobicContact CG-CG2 4.05Å
184	P	97.1	Very high	98.5	Very high	135 Å²	135	45.4 Å²	45.4	88%	0.877	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.1	-177.6	30.1	-36	0	0	0	113.6
185	N	98.5	Very high	98.4	Very high	11 Å²	11	42 Å²	42	6%	0.059	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	17.4	-175.2	63.7	-38.5	0	0	0	113.2	Y154 A155 P156 N158 I159 Y160 F183	Y154-N185 WeakPolarHBondContact CE2-OD1 3.33Å; Y154-N185 PolarHBondContact OH-OD1 3.42Å; A155-N185 PolarHBondContact O-ND2 3.04Å; P156-N185 PolarHBondContact O-ND2 3.31Å; N158-N185 WeakPolarHBondContact O-CB 3.38Å; N158-N185 PolarHBondContact O-ND2 2.9Å; I159-N185 HydrophobicContact CD1-CB 4.2Å; I159-N185 WeakPolarHBondContact CD1-O 3.34Å; Y160-N185 WeakPolarHBondContact CD2-O 3.42Å; Y160-N185 PolarHBondContact N-O 3.45Å; F183-N185 PolarHBondContact O-N 3.17Å
186	V	98.8	Very high	98.4	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.3	175.6	-171.5	0	0	0	0	108.4	L150 Y154 Y160 I162 I180 F183	L150-V186 HydrophobicContact CD1-CG1 4.41Å; L150-V186 HydrophobicContact CD1-CG2 4.21Å; L150-V186 HydrophobicContact CD2-CG1 4.43Å; Y154-V186 HydrophobicContact CD2-CG2 4.25Å; Y154-V186 HydrophobicContact CE2-CG2 3.95Å; Y160-V186 HydrophobicContact CD2-CG2 3.79Å; Y160-V186 HydrophobicContact CG-CG2 4.17Å; Y160-V186 WeakPolarHBondContact O-CA 3.44Å; I162-V186 HydrophobicContact CD1-CG1 4.03Å; I162-V186 HydrophobicContact CG1-CG1 3.8Å; I180-V186 HydrophobicContact CB-CB 4.2Å; I180-V186 HydrophobicContact CB-CG1 3.77Å; I180-V186 HydrophobicContact CG2-CB 4.43Å; I180-V186 HydrophobicContact CG2-CG1 3.49Å; I180-V186 VanDerWaalsContact CG2-CG1 3.49Å; F183-V186 HydrophobicContact CB-CB 3.98Å; F183-V186 HydrophobicContact CB-CG2 3.51Å; F183-V186 HydrophobicContact CD2-CG2 4.26Å; F183-V186 HydrophobicContact CG-CG2 4.05Å
187	F	98.8	Very high	98.2	Very high	54 Å²	54	49.6 Å²	49.6	24%	0.237	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.6	-177.1	64.4	-91.2	0	0	0	111.8	I159 Y160 C161 I162 D212 L213	I159-F187 HydrophobicContact CD1-CD1 4.15Å; I159-F187 HydrophobicContact CD1-CE1 3.87Å; I159-F187 HydrophobicContact CG1-CD1 4.48Å; I159-F187 HydrophobicContact CG1-CE1 3.77Å; Y160-F187 WeakPolarHBondContact O-CD1 3.46Å; Y160-F187 PolarHBondContact O-N 3.35Å; C161-F187 CarbonylContact C-O 3.59Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.37Å; C161-F187 HydrophobicContact CB-CE2 3.69Å; C161-F187 HydrophobicContact CB-CZ 3.65Å; I162-F187 PolarHBondContact N-O 3.19Å; F187-D212 HydrophobicContact CE2-CB 3.5Å; F187-D212 HydrophobicContact CZ-CB 3.92Å; F187-L213 HydrophobicContact CE1-CD2 4.13Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.24Å
188	I	98.7	Very high	98.1	Very high	47 Å²	47	44.7 Å²	44.7	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.5	171.8	-82	157.7	0	0	0	109.4	I162 V164 V176 K177 I180 S190 L192	I162-I188 HydrophobicContact CB-CG1 4.49Å; I162-I188 CarbonylContact O-C 3.59Å; I162-I188 VanDerWaalsContact O-CA 3.32Å; I162-I188 WeakPolarHBondContact O-CA 3.45Å; V164-I188 HydrophobicContact CG2-CG1 4.47Å; V176-I188 HydrophobicContact CG1-CD1 4.37Å; K177-I188 HydrophobicContact CB-CD1 4.43Å; K177-I188 HydrophobicContact CG-CD1 3.42Å; K177-I188 VanDerWaalsContact CG-CD1 3.42Å; I180-I188 HydrophobicContact CD1-CB 4.16Å; I180-I188 HydrophobicContact CD1-CD1 3.47Å; I180-I188 VanDerWaalsContact CD1-CD1 3.47Å; I180-I188 HydrophobicContact CD1-CG1 3.42Å; I180-I188 VanDerWaalsContact CD1-CG1 3.42Å; I188-S190 PolarHBondContact O-N 2.85Å; I188-L192 HydrophobicContact CG2-CD1 4.37Å; I188-L192 HydrophobicContact CG2-CD2 4.06Å
189	A	98.7	Very high	98.1	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.235	C	C	.	.			trans	-52.3	135.4	174.1	0	0	0	0	0	111.2	I162 H163 K191 L192 D212	I162-A189 PolarHBondContact O-N 2.86Å; H163-A189 HydrophobicContact CB-CB 4.43Å; A189-K191 PolarHBondContact O-N 2.61Å; A189-L192 HydrophobicContact CB-CD2 4.15Å; A189-D212 VanDerWaalsContact CA-OD2 3.25Å; A189-D212 WeakPolarHBondContact CA-OD2 3.49Å
190	S	98.4	Very high	98.1	Very high	81 Å²	81	45.5 Å²	45.5	57%	0.566	24%	0.24	S	C	*	.	S	Bend	trans	-61.8	-27.2	-179.6	65.5	0	0	0	0	112.6	I188 D212	I188-S190 PolarHBondContact O-N 2.85Å; S190-D212 WeakPolarHBondContact CB-OD1 3.46Å; S190-D212 PolarHBondContact N-OD2 3.16Å; S190-D212 VanDerWaalsContact OG-CG 3.29Å; S190-D212 PolarHBondContact OG-OD1 3.06Å; S190-D212 PolarHBondContact OG-OD2 2.84Å
191	K	98.6	Very high	98.1	Very high	99 Å²	99	45.5 Å²	45.5	43%	0.43	24%	0.241	S	C	.	.	S	Bend	trans	-122	115.1	177.1	-62.5	169.2	-166.8	161.5	0	109.6	A189 N208 E211	A189-K191 PolarHBondContact O-N 2.61Å; K191-N208 HydrophobicContact CB-CB 4.16Å; K191-N208 WeakPolarHBondContact CB-ND2 2.87Å; K191-N208 WeakPolarHBondContact O-CB 3.19Å; K191-N208 PolarHBondContact O-ND2 3.42Å; K191-E211 IonicContact NZ-OE1 3.78Å; K191-E211 PolarHBondContact NZ-OE1 3.14Å; K191-E211 IonicContact NZ-OE2 3.36Å; K191-E211 PolarHBondContact NZ-OE2 2.79Å
192	L	98.5	Very high	98.1	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.267	22%	0.218	S	C	.	.			trans	-94.4	155.5	170.9	-57.8	-177	0	0	0	109.7	E166 I188 A189	E166-L192 HydrophobicContact CG-CB 3.65Å; I188-L192 HydrophobicContact CG2-CD1 4.37Å; I188-L192 HydrophobicContact CG2-CD2 4.06Å; A189-L192 HydrophobicContact CB-CD2 4.15Å
193	V	98.2	Very high	98.1	Very high	29 Å²	29	42.4 Å²	42.4	18%	0.176	22%	0.215	C	C	.	.			trans	-139.3	147.4	174.9	-63.6	0	0	0	0	109.7	H163 E166 V195 S201 Q204 A205	H163-V193 PolarHBondContact CE1-O 3.13Å; H163-V193 WeakPolarHBondContact NE2-CG2 3.43Å; H163-V193 PolarHBondContact NE2-N 2.82Å; H163-V193 VanDerWaalsContact NE2-N 3.15Å; E166-V193 PolarHBondContact N-O 3.26Å; V193-V195 HydrophobicContact CG2-CG2 4.09Å; V193-V195 PolarHBondContact O-N 3.18Å; V193-S201 WeakPolarHBondContact CG2-O 3.22Å; V193-Q204 HydrophobicContact CG1-CG 3.87Å; V193-Q204 HydrophobicContact CG2-CB 4.42Å; V193-A205 HydrophobicContact CG2-CB 4.17Å
194	R	97.8	Very high	98.1	Very high	101 Å²	101	44.5 Å²	44.5	38%	0.381	23%	0.225	S	C	.	.			trans	-68.2	107.8	165.1	-178.8	170.2	177	-121	19.3	110.1	D165 E166 K167 S201 G273 D274	D165-R194 WeakPolarHBondContact OD1-CA 3.47Å; E166-R194 HydrophobicContact CB-CB 4.32Å; E166-R194 PolarHBondContact OE2-N 3.5Å; K167-R194 HydrophobicContact CB-CG 4.36Å; K167-R194 HydrophobicContact CD-CG 4.43Å; R194-S201 WeakPolarHBondContact O-CB 3.25Å; R194-G273 PolarHBondContact NH1-O 3.44Å; R194-D274 VanDerWaalsContact CZ-CG 3.47Å; R194-D274 IonicContact CZ-OD1 3.94Å; R194-D274 IonicContact CZ-OD2 2.62Å; R194-D274 IonicContact NE-OD1 3.17Å; R194-D274 PolarHBondContact NE-OD1 3.07Å; R194-D274 IonicContact NH1-OD1 2.63Å; R194-D274 PolarHBondContact NH1-OD1 3.47Å; R194-D274 IonicContact NH2-OD1 3.85Å; R194-D274 PolarHBondContact NH2-OD1 3.01Å; R194-D274 IonicContact NH2-OD2 3.84Å; R194-D274 PolarHBondContact NH2-OD2 2.93Å
195	V	97.5	Very high	98.2	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.103	18%	0.183	C	C	.	.			trans	-83.3	121.2	-177.2	-177.6	0	0	0	0	110	D165 K167 V193 S201 R202 A205	D165-V195 PolarHBondContact OD1-N 3.08Å; D165-V195 VanDerWaalsContact OD1-N 3.13Å; D165-V195 WeakPolarHBondContact OD2-CB 3.46Å; D165-V195 PolarHBondContact OD2-N 2.96Å; K167-V195 PolarHBondContact NZ-O 3.22Å; V193-V195 HydrophobicContact CG2-CG2 4.09Å; V193-V195 PolarHBondContact O-N 3.18Å; V195-S201 WeakPolarHBondContact CA-OG 3.49Å; V195-R202 HydrophobicContact CG1-CB 4.02Å; V195-A205 HydrophobicContact CG2-CB 4.22Å
196	I	97.4	Very high	98.2	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.062	18%	0.181	C	C	.	.			trans	-107.7	136.1	176.6	-63.8	172	0	0	0	108.5	A198 S199 S201 V271 D274	I196-A198 PolarHBondContact O-N 3.45Å; I196-S199 WeakPolarHBondContact CB-OG 3.39Å; I196-S199 PolarHBondContact O-N 3.45Å; I196-S199 VanDerWaalsContact O-N 3.12Å; I196-S199 PolarHBondContact O-OG 3.36Å; I196-S201 PolarHBondContact N-OG 3.34Å; I196-S201 PolarHBondContact O-OG 3.34Å; I196-V271 HydrophobicContact CD1-CB 4.49Å; I196-V271 HydrophobicContact CD1-CG1 3.37Å; I196-V271 HydrophobicContact CD1-CG2 4.32Å; I196-D274 WeakPolarHBondContact CG2-O 3.46Å
197	Y	96.1	Very high	98.2	Very high	149 Å²	149	37.7 Å²	37.7	58%	0.584	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	135.6	-177	177.3	-101.8	0	0	0	111.2	S199	Y197-S199 PolarHBondContact O-N 2.83Å
198	A	96.6	Very high	98.2	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	4.1	-177.9	0	0	0	0	0	115.9	I196 L276 Y326 S327 P328	I196-A198 PolarHBondContact O-N 3.45Å; A198-L276 HydrophobicContact CB-CD2 4.31Å; A198-L276 VanDerWaalsContact O-CD2 3.28Å; A198-L276 WeakPolarHBondContact O-CD2 3.32Å; A198-Y326 HydrophobicContact CB-CD1 4.33Å; A198-Y326 HydrophobicContact CB-CD2 4.11Å; A198-Y326 HydrophobicContact CB-CE1 3.94Å; A198-Y326 HydrophobicContact CB-CE2 3.68Å; A198-Y326 HydrophobicContact CB-CG 4.41Å; A198-S327 WeakPolarHBondContact CB-OG 3.21Å; A198-S327 WeakPolarHBondContact O-CA 3.34Å; A198-S327 PolarHBondContact O-N 2.91Å; A198-P328 WeakPolarHBondContact O-CD 3.44Å
199	S	98.1	Very high	98.2	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	16%	0.159	C	C	.	.	S	Bend	trans	-95.8	166.5	-179.7	90.7	0	0	0	0	112.8	I196 Y197 S201 R202	I196-S199 WeakPolarHBondContact CB-OG 3.39Å; I196-S199 PolarHBondContact O-N 3.45Å; I196-S199 VanDerWaalsContact O-N 3.12Å; I196-S199 PolarHBondContact O-OG 3.36Å; Y197-S199 PolarHBondContact O-N 2.83Å; S199-S201 PolarHBondContact O-N 3.43Å; S199-S201 PolarHBondContact OG-N 2.87Å; S199-S201 PolarHBondContact OG-OG 2.84Å; S199-R202 PolarHBondContact O-N 3.23Å; S199-R202 VanDerWaalsContact O-N 3.14Å
200	W	98.4	Very high	98.2	Very high	28 Å²	28	33 Å²	33	11%	0.106	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-33.8	173.3	171.6	-109	0	0	0	114.8	R202 V203 Q204 L207 I319 V322 K323 P328 L332	W200-R202 PolarHBondContact O-N 2.93Å; W200-V203 HydrophobicContact CD2-CB 4.42Å; W200-V203 HydrophobicContact CE3-CB 3.87Å; W200-V203 HydrophobicContact CE3-CG1 4.08Å; W200-V203 HydrophobicContact CE3-CG2 4.34Å; W200-V203 HydrophobicContact CH2-CB 4.19Å; W200-V203 HydrophobicContact CH2-CG1 3.57Å; W200-V203 HydrophobicContact CZ2-CG1 4.36Å; W200-V203 HydrophobicContact CZ3-CB 3.75Å; W200-V203 HydrophobicContact CZ3-CG1 3.42Å; W200-V203 VanDerWaalsContact CZ3-CG1 3.42Å; W200-V203 HydrophobicContact CZ3-CG2 4.32Å; W200-V203 WeakPolarHBondContact O-CA 3.49Å; W200-V203 WeakPolarHBondContact O-CB 3.11Å; W200-V203 PolarHBondContact O-N 3.32Å; W200-Q204 PolarHBondContact O-N 2.85Å; W200-L207 HydrophobicContact CH2-CD1 3.46Å; W200-L207 VanDerWaalsContact CH2-CD1 3.46Å; W200-L207 HydrophobicContact CZ2-CD1 3.55Å; W200-I319 HydrophobicContact CH2-CB 4.24Å; W200-I319 HydrophobicContact CH2-CG1 4.3Å; W200-I319 HydrophobicContact CH2-CG2 3.47Å; W200-I319 VanDerWaalsContact CH2-CG2 3.47Å; W200-I319 HydrophobicContact CZ2-CG2 3.81Å; W200-I319 HydrophobicContact CZ3-CG2 4.42Å; W200-V322 HydrophobicContact CE3-CG2 4.03Å; W200-V322 HydrophobicContact CZ3-CG2 3.56Å; W200-K323 HydrophobicContact CB-CB 4.47Å; W200-K323 WeakPolarHBondContact CB-O 3.46Å; W200-K323 HydrophobicContact CD2-CB 4.26Å; W200-K323 HydrophobicContact CD2-CG 3.65Å; W200-K323 HydrophobicContact CE3-CG 4.06Å; W200-K323 HydrophobicContact CG-CB 4.15Å; W200-K323 HydrophobicContact CG-CG 3.9Å; W200-K323 HydrophobicContact CZ2-CG 4.25Å; W200-P328 HydrophobicContact CB-CG 4.44Å; W200-P328 HydrophobicContact CE3-CB 4.38Å; W200-P328 HydrophobicContact CE3-CG 4.23Å; W200-L332 HydrophobicContact CH2-CD2 4.39Å; W200-L332 HydrophobicContact CZ3-CD2 4.08Å
201	S	98.3	Very high	98.2	Very high	15 Å²	15	32.3 Å²	32.3	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-53.8	-30.3	-179.2	62.3	0	0	0	0	113.5	V193 R194 V195 I196 S199 Q204 A205	V193-S201 WeakPolarHBondContact CG2-O 3.22Å; R194-S201 WeakPolarHBondContact O-CB 3.25Å; V195-S201 WeakPolarHBondContact CA-OG 3.49Å; I196-S201 PolarHBondContact N-OG 3.34Å; I196-S201 PolarHBondContact O-OG 3.34Å; S199-S201 PolarHBondContact O-N 3.43Å; S199-S201 PolarHBondContact OG-N 2.87Å; S199-S201 PolarHBondContact OG-OG 2.84Å; S201-Q204 PolarHBondContact O-N 3.41Å; S201-A205 PolarHBondContact O-N 3.42Å
202	R	98.3	Very high	98.2	Very high	30 Å²	30	28.3 Å²	28.3	11%	0.113	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-43.7	174.1	176.1	60.3	-167.9	85.2	2.9	111.7	V195 S199 W200 D206 D329	V195-R202 HydrophobicContact CG1-CB 4.02Å; S199-R202 PolarHBondContact O-N 3.23Å; S199-R202 VanDerWaalsContact O-N 3.14Å; W200-R202 PolarHBondContact O-N 2.93Å; R202-D206 IonicContact CZ-OD2 2.7Å; R202-D206 IonicContact NH1-OD1 3.62Å; R202-D206 IonicContact NH1-OD2 3.54Å; R202-D206 PolarHBondContact NH1-OD2 3.21Å; R202-D206 IonicContact NH2-OD2 3.56Å; R202-D206 PolarHBondContact NH2-OD2 3.29Å; R202-D206 VanDerWaalsContact NH2-OD2 3.12Å; R202-D329 HydrophobicContact CG-CB 4.33Å
203	V	98.6	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-42.6	175.5	177.4	0	0	0	0	110.4	W200 A205 D206 L207 P328 D329 L332 W333	W200-V203 HydrophobicContact CD2-CB 4.42Å; W200-V203 HydrophobicContact CE3-CB 3.87Å; W200-V203 HydrophobicContact CE3-CG1 4.08Å; W200-V203 HydrophobicContact CE3-CG2 4.34Å; W200-V203 HydrophobicContact CH2-CB 4.19Å; W200-V203 HydrophobicContact CH2-CG1 3.57Å; W200-V203 HydrophobicContact CZ2-CG1 4.36Å; W200-V203 HydrophobicContact CZ3-CB 3.75Å; W200-V203 HydrophobicContact CZ3-CG1 3.42Å; W200-V203 VanDerWaalsContact CZ3-CG1 3.42Å; W200-V203 HydrophobicContact CZ3-CG2 4.32Å; W200-V203 WeakPolarHBondContact O-CA 3.49Å; W200-V203 WeakPolarHBondContact O-CB 3.11Å; W200-V203 PolarHBondContact O-N 3.32Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.11Å; V203-D206 PolarHBondContact O-N 3.02Å; V203-D206 VanDerWaalsContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 3.91Å; V203-L207 HydrophobicContact CG1-CG 4.16Å; V203-L207 PolarHBondContact O-N 3.37Å; V203-P328 HydrophobicContact CG2-CB 4.19Å; V203-P328 HydrophobicContact CG2-CG 4.04Å; V203-D329 HydrophobicContact CG2-CB 3.68Å; V203-L332 HydrophobicContact CG1-CD2 3.56Å; V203-W333 HydrophobicContact CG1-CH2 4.06Å; V203-W333 HydrophobicContact CG1-CZ2 3.8Å
204	Q	98.8	Very high	98.3	Very high	51 Å²	51	26 Å²	26	24%	0.238	12%	0.116	C	C	.	.	H	α-helix	trans	-57.4	-38.6	179.1	-169.7	64.9	68.9	0	0	112.2	V193 W200 S201 D206 L207 N208	V193-Q204 HydrophobicContact CG1-CG 3.87Å; V193-Q204 HydrophobicContact CG2-CB 4.42Å; W200-Q204 PolarHBondContact O-N 2.85Å; S201-Q204 PolarHBondContact O-N 3.41Å; Q204-D206 PolarHBondContact O-N 3.31Å; Q204-L207 PolarHBondContact O-N 3.35Å; Q204-N208 PolarHBondContact NE2-OD1 3.35Å; Q204-N208 WeakPolarHBondContact O-CB 3.24Å; Q204-N208 PolarHBondContact O-N 2.96Å; Q204-N208 PolarHBondContact O-OD1 3.21Å
205	A	98.8	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-44.9	175.7	0	0	0	0	0	112.7	V138 H163 V193 V195 S201 V203 C209	V138-A205 HydrophobicContact CG1-CB 4.05Å; V138-A205 HydrophobicContact CG2-CB 4.02Å; H163-A205 HydrophobicContact CB-CB 4.43Å; V193-A205 HydrophobicContact CG2-CB 4.17Å; V195-A205 HydrophobicContact CG2-CB 4.22Å; S201-A205 PolarHBondContact O-N 3.42Å; V203-A205 VanDerWaalsContact C-N 3.25Å; V203-A205 PolarHBondContact O-N 3.11Å; A205-C209 PolarHBondContact O-N 2.88Å
206	D	98.8	Very high	98.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-70.1	-40	176.1	-86.2	-39.5	0	0	0	111.9	S136 R202 V203 Q204 N208 C209 M210 N225	S136-D206 WeakPolarHBondContact CB-OD1 3.36Å; S136-D206 PolarHBondContact OG-OD1 2.93Å; R202-D206 IonicContact CZ-OD2 2.7Å; R202-D206 IonicContact NH1-OD1 3.62Å; R202-D206 IonicContact NH1-OD2 3.54Å; R202-D206 PolarHBondContact NH1-OD2 3.21Å; R202-D206 IonicContact NH2-OD2 3.56Å; R202-D206 PolarHBondContact NH2-OD2 3.29Å; R202-D206 VanDerWaalsContact NH2-OD2 3.12Å; V203-D206 PolarHBondContact O-N 3.02Å; V203-D206 VanDerWaalsContact O-N 3.1Å; Q204-D206 PolarHBondContact O-N 3.31Å; D206-N208 VanDerWaalsContact C-N 3.31Å; D206-N208 PolarHBondContact O-N 2.96Å; D206-C209 PolarHBondContact O-N 3.05Å; D206-M210 VanDerWaalsContact O-CG 3.31Å; D206-M210 WeakPolarHBondContact O-CG 3.3Å; D206-M210 PolarHBondContact O-N 2.78Å; D206-N225 VanDerWaalsContact OD1-CB 3.29Å; D206-N225 WeakPolarHBondContact OD1-CB 3.41Å; D206-N225 PolarHBondContact OD2-ND2 2.9Å
207	L	98.9	Very high	98.3	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-39.1	177.1	-72.5	174.6	0	0	0	112.4	W200 V203 Q204 C209 M210 E211 V309 L310 I319 W333	W200-L207 HydrophobicContact CH2-CD1 3.46Å; W200-L207 VanDerWaalsContact CH2-CD1 3.46Å; W200-L207 HydrophobicContact CZ2-CD1 3.55Å; V203-L207 HydrophobicContact CG1-CD1 3.91Å; V203-L207 HydrophobicContact CG1-CG 4.16Å; V203-L207 PolarHBondContact O-N 3.37Å; Q204-L207 PolarHBondContact O-N 3.35Å; L207-C209 VanDerWaalsContact C-N 3.35Å; L207-M210 HydrophobicContact CD2-SD 4.02Å; L207-M210 WeakPolarHBondContact O-CB 3.22Å; L207-M210 PolarHBondContact O-N 3.28Å; L207-E211 PolarHBondContact O-N 3.32Å; L207-V309 HydrophobicContact CD2-CG1 3.69Å; L207-L310 HydrophobicContact CD2-CD2 3.8Å; L207-I319 HydrophobicContact CD1-CD1 4.46Å; L207-I319 HydrophobicContact CD2-CD1 4.43Å; L207-W333 HydrophobicContact CD2-CH2 3.82Å; L207-W333 HydrophobicContact CD2-CZ3 4.44Å; L207-W333 HydrophobicContact CG-CH2 4.22Å
208	N	98.9	Very high	98.4	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-44.8	175.9	-66.5	-6.6	0	0	0	110.6	K191 Q204 D206 E211 D212	K191-N208 HydrophobicContact CB-CB 4.16Å; K191-N208 WeakPolarHBondContact CB-ND2 2.87Å; K191-N208 WeakPolarHBondContact O-CB 3.19Å; K191-N208 PolarHBondContact O-ND2 3.42Å; Q204-N208 PolarHBondContact NE2-OD1 3.35Å; Q204-N208 WeakPolarHBondContact O-CB 3.24Å; Q204-N208 PolarHBondContact O-N 2.96Å; Q204-N208 PolarHBondContact O-OD1 3.21Å; D206-N208 VanDerWaalsContact C-N 3.31Å; D206-N208 PolarHBondContact O-N 2.96Å; N208-E211 WeakPolarHBondContact O-CB 3.34Å; N208-E211 PolarHBondContact O-N 2.71Å; N208-D212 PolarHBondContact O-N 3.46Å
209	C	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-39.6	174.3	-90.5	0	0	0	0	113.1	S136 C161 A205 D206 L207 E211 D212 L213	S136-C209 WeakPolarHBondContact OG-CB 3.15Å; C161-C209 VanDerWaalsContact C-SG 3.57Å; C161-C209 HydrophobicContact CB-CB 3.64Å; C161-C209 WeakPolarHBondContact CB-SG 3.46Å; C161-C209 WeakPolarHBondContact SG-CA 3.39Å; C161-C209 WeakPolarHBondContact SG-CB 3.24Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 2.75Å; A205-C209 PolarHBondContact O-N 2.88Å; D206-C209 PolarHBondContact O-N 3.05Å; L207-C209 VanDerWaalsContact C-N 3.35Å; C209-E211 VanDerWaalsContact C-N 3.27Å; C209-E211 PolarHBondContact O-N 3.42Å; C209-D212 PolarHBondContact O-N 2.89Å; C209-L213 HydrophobicContact CB-CD1 4.45Å; C209-L213 VanDerWaalsContact O-CB 3.25Å; C209-L213 WeakPolarHBondContact O-CB 3.4Å; C209-L213 WeakPolarHBondContact O-CD1 3.36Å; C209-L213 WeakPolarHBondContact O-CG 3.34Å; C209-L213 PolarHBondContact O-N 3.46Å
210	M	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-41.5	174.7	-74.9	178.1	-173.7	0	0	111.8	D206 L207 L214 F223 I299 V306 L310 W333	D206-M210 VanDerWaalsContact O-CG 3.31Å; D206-M210 WeakPolarHBondContact O-CG 3.3Å; D206-M210 PolarHBondContact O-N 2.78Å; L207-M210 HydrophobicContact CD2-SD 4.02Å; L207-M210 WeakPolarHBondContact O-CB 3.22Å; L207-M210 PolarHBondContact O-N 3.28Å; M210-L214 WeakPolarHBondContact O-CG 3.39Å; M210-L214 PolarHBondContact O-N 2.62Å; M210-L214 VanDerWaalsContact O-N 3.12Å; M210-F223 HydrophobicContact CE-CD1 3.97Å; M210-F223 HydrophobicContact CE-CE1 3.36Å; M210-F223 HydrophobicContact CE-CE2 4.26Å; M210-F223 HydrophobicContact CE-CZ 3.52Å; M210-F223 HydrophobicContact CG-CD2 4.14Å; M210-F223 HydrophobicContact CG-CE1 4.42Å; M210-F223 HydrophobicContact CG-CE2 3.61Å; M210-F223 HydrophobicContact CG-CZ 3.78Å; M210-I299 HydrophobicContact CE-CD1 3.86Å; M210-V306 HydrophobicContact CB-CG1 3.59Å; M210-V306 HydrophobicContact CG-CG1 3.62Å; M210-V306 HydrophobicContact SD-CG1 3.95Å; M210-L310 HydrophobicContact CB-CD1 4.33Å; M210-W333 HydrophobicContact CE-CH2 3.82Å; M210-W333 HydrophobicContact CE-CZ2 4.18Å; M210-W333 HydrophobicContact CE-CZ3 4.26Å; M210-W333 HydrophobicContact SD-CH2 4.25Å
211	E	98.8	Very high	98.5	Very high	67 Å²	67	33.7 Å²	33.7	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-61.5	-50.3	178	-172.5	177	-159.8	0	0	111.4	K191 L207 N208 C209 L214 Q215 L310	K191-E211 IonicContact NZ-OE1 3.78Å; K191-E211 PolarHBondContact NZ-OE1 3.14Å; K191-E211 IonicContact NZ-OE2 3.36Å; K191-E211 PolarHBondContact NZ-OE2 2.79Å; L207-E211 PolarHBondContact O-N 3.32Å; N208-E211 WeakPolarHBondContact O-CB 3.34Å; N208-E211 PolarHBondContact O-N 2.71Å; C209-E211 VanDerWaalsContact C-N 3.27Å; C209-E211 PolarHBondContact O-N 3.42Å; E211-L214 PolarHBondContact O-N 3.36Å; E211-Q215 WeakPolarHBondContact O-CG 3.18Å; E211-Q215 PolarHBondContact O-N 3.04Å; E211-L310 HydrophobicContact CB-CD1 3.97Å; E211-L310 HydrophobicContact CG-CD1 4.49Å
212	D	98.9	Very high	98.5	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-39.1	-179.6	-62.2	-30.2	0	0	0	112.4	F187 A189 S190 N208 C209 L214 Q215 S216	F187-D212 HydrophobicContact CE2-CB 3.5Å; F187-D212 HydrophobicContact CZ-CB 3.92Å; A189-D212 VanDerWaalsContact CA-OD2 3.25Å; A189-D212 WeakPolarHBondContact CA-OD2 3.49Å; S190-D212 WeakPolarHBondContact CB-OD1 3.46Å; S190-D212 PolarHBondContact N-OD2 3.16Å; S190-D212 VanDerWaalsContact OG-CG 3.29Å; S190-D212 PolarHBondContact OG-OD1 3.06Å; S190-D212 PolarHBondContact OG-OD2 2.84Å; N208-D212 PolarHBondContact O-N 3.46Å; C209-D212 PolarHBondContact O-N 2.89Å; D212-L214 VanDerWaalsContact C-N 3.27Å; D212-L214 PolarHBondContact O-N 3.09Å; D212-Q215 WeakPolarHBondContact O-CB 3.24Å; D212-Q215 PolarHBondContact O-N 3.4Å; D212-S216 PolarHBondContact O-N 3.16Å
213	L	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-36	177.5	-73.8	166.3	0	0	0	111.7	A134 I159 C161 F187 C209 Q215 S216 W220 F223	A134-L213 HydrophobicContact CB-CD1 4.22Å; A134-L213 HydrophobicContact CB-CD2 4.08Å; I159-L213 HydrophobicContact CB-CD2 4.37Å; I159-L213 HydrophobicContact CG1-CD2 3.88Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; C161-L213 HydrophobicContact CB-CD1 4Å; C161-L213 HydrophobicContact CB-CD2 3.95Å; C161-L213 HydrophobicContact CB-CG 3.79Å; F187-L213 HydrophobicContact CE1-CD2 4.13Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.24Å; C209-L213 HydrophobicContact CB-CD1 4.45Å; C209-L213 VanDerWaalsContact O-CB 3.25Å; C209-L213 WeakPolarHBondContact O-CB 3.4Å; C209-L213 WeakPolarHBondContact O-CD1 3.36Å; C209-L213 WeakPolarHBondContact O-CG 3.34Å; C209-L213 PolarHBondContact O-N 3.46Å; L213-Q215 VanDerWaalsContact C-N 3.25Å; L213-Q215 PolarHBondContact O-N 3.27Å; L213-S216 VanDerWaalsContact O-CB 3.31Å; L213-S216 WeakPolarHBondContact O-CB 3.22Å; L213-S216 PolarHBondContact O-N 3.44Å; L213-W220 HydrophobicContact CB-CZ2 4.1Å; L213-W220 PolarHBondContact O-NE1 3.45Å; L213-F223 HydrophobicContact CD1-CD2 3.79Å; L213-F223 HydrophobicContact CD1-CE2 3.79Å
214	L	98.6	Very high	98.6	Very high	30 Å²	30	32 Å²	32	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-24.3	175.4	-77.2	169.9	0	0	0	113.3	M210 E211 D212 W220 R303 V306 Q307 L310	M210-L214 WeakPolarHBondContact O-CG 3.39Å; M210-L214 PolarHBondContact O-N 2.62Å; M210-L214 VanDerWaalsContact O-N 3.12Å; E211-L214 PolarHBondContact O-N 3.36Å; D212-L214 VanDerWaalsContact C-N 3.27Å; D212-L214 PolarHBondContact O-N 3.09Å; L214-W220 HydrophobicContact CD2-CH2 4.03Å; L214-W220 HydrophobicContact CD2-CZ2 3.7Å; L214-W220 HydrophobicContact CG-CZ2 4.03Å; L214-R303 HydrophobicContact CD2-CG 3.97Å; L214-V306 HydrophobicContact CD1-CG1 4Å; L214-V306 HydrophobicContact CG-CG1 4.22Å; L214-Q307 HydrophobicContact CD1-CB 4.37Å; L214-Q307 HydrophobicContact CD2-CB 4.19Å; L214-L310 HydrophobicContact CD1-CD1 3.62Å; L214-L310 HydrophobicContact CD1-CG 4.43Å
215	Q	98.1	Very high	98.6	Very high	140 Å²	140	29.6 Å²	29.6	65%	0.654	16%	0.163	S	C	*	.	H	α-helix	trans	-82.9	-16.5	175.7	-62.9	175.7	35.3	0	0	112.9	E211 D212 L213	E211-Q215 WeakPolarHBondContact O-CG 3.18Å; E211-Q215 PolarHBondContact O-N 3.04Å; D212-Q215 WeakPolarHBondContact O-CB 3.24Å; D212-Q215 PolarHBondContact O-N 3.4Å; L213-Q215 VanDerWaalsContact C-N 3.25Å; L213-Q215 PolarHBondContact O-N 3.27Å
216	S	97.6	Very high	98.5	Very high	25 Å²	25	29.6 Å²	29.6	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-60	143	175.6	-176.8	0	0	0	0	111.9	D212 L213 V218	D212-S216 PolarHBondContact O-N 3.16Å; L213-S216 VanDerWaalsContact O-CB 3.31Å; L213-S216 WeakPolarHBondContact O-CB 3.22Å; L213-S216 PolarHBondContact O-N 3.44Å; S216-V218 PolarHBondContact O-N 2.71Å; S216-V218 PolarHBondContact OG-N 2.64Å
217	S	97.3	Very high	98.3	Very high	119 Å²	119	30.4 Å²	30.4	83%	0.832	17%	0.169	S	C	*	.	S	Bend	trans	-71.4	-13.6	172.3	59.2	0	0	0	0	113.3	P219	S217-P219 WeakPolarHBondContact O-CD 3.38Å
218	V	98.3	Very high	98	Very high	29 Å²	29	30.8 Å²	30.8	18%	0.176	18%	0.175	C	C	.	.	S	Bend	trans	-70.3	121.7	177.8	178.3	0	0	0	0	109.1	P132 Q157 I159 S216 W220	P132-V218 HydrophobicContact CB-CG1 3.8Å; P132-V218 HydrophobicContact CG-CG1 4.26Å; Q157-V218 WeakPolarHBondContact O-CG1 3.45Å; I159-V218 HydrophobicContact CB-CB 4.14Å; I159-V218 HydrophobicContact CB-CG1 4.21Å; I159-V218 HydrophobicContact CB-CG2 4.23Å; I159-V218 HydrophobicContact CD1-CG2 4.06Å; I159-V218 HydrophobicContact CG2-CB 4.36Å; I159-V218 HydrophobicContact CG2-CG1 4.26Å; S216-V218 PolarHBondContact O-N 2.71Å; S216-V218 PolarHBondContact OG-N 2.64Å; V218-W220 HydrophobicContact CG1-CB 4.42Å; V218-W220 PolarHBondContact O-N 3.11Å
219	P	97.8	Very high	97.8	Very high	81 Å²	81	32.2 Å²	32.2	53%	0.526	18%	0.184	S	C	.	.			trans	-82.9	56.1	-176.8	35.8	-37.4	0	0	0	111.7	S217	S217-P219 WeakPolarHBondContact O-CD 3.38Å
220	W	98.8	Very high	97.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	19%	0.185	C	C	.	.			trans	-60.6	152.6	-178.3	57.5	-96.2	0	0	0	112.8	P132 A134 I159 L213 L214 V218 F223 R303 V306	P132-W220 HydrophobicContact CB-CB 4.24Å; P132-W220 CarbonylContact O-C 3.44Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.29Å; A134-W220 HydrophobicContact CB-CB 3.97Å; A134-W220 HydrophobicContact CB-CD2 3.47Å; A134-W220 VanDerWaalsContact CB-CD2 3.47Å; A134-W220 HydrophobicContact CB-CE3 3.69Å; A134-W220 HydrophobicContact CB-CG 3.59Å; A134-W220 HydrophobicContact CB-CZ3 4.33Å; I159-W220 HydrophobicContact CG2-CB 4.17Å; I159-W220 HydrophobicContact CG2-CG 4.04Å; L213-W220 HydrophobicContact CB-CZ2 4.1Å; L213-W220 PolarHBondContact O-NE1 3.45Å; L214-W220 HydrophobicContact CD2-CH2 4.03Å; L214-W220 HydrophobicContact CD2-CZ2 3.7Å; L214-W220 HydrophobicContact CG-CZ2 4.03Å; V218-W220 HydrophobicContact CG1-CB 4.42Å; V218-W220 PolarHBondContact O-N 3.11Å; W220-F223 HydrophobicContact CH2-CB 4.43Å; W220-F223 HydrophobicContact CZ3-CB 3.98Å; W220-R303 HydrophobicContact CD2-CB 4.49Å; W220-R303 HydrophobicContact CD2-CG 4.27Å; W220-R303 HydrophobicContact CE3-CB 3.75Å; W220-R303 HydrophobicContact CE3-CG 3.97Å; W220-R303 HydrophobicContact CH2-CB 3.8Å; W220-R303 HydrophobicContact CH2-CG 3.51Å; W220-R303 HydrophobicContact CZ2-CG 3.83Å; W220-R303 HydrophobicContact CZ3-CB 3.36Å; W220-R303 HydrophobicContact CZ3-CG 3.59Å; W220-R303 WeakPolarHBondContact O-CD 3.28Å; W220-V306 HydrophobicContact CH2-CB 4.1Å; W220-V306 HydrophobicContact CH2-CG1 4.19Å; W220-V306 HydrophobicContact CH2-CG2 4.26Å
221	K	98.8	Very high	97.8	Very high	86 Å²	86	35.3 Å²	35.3	37%	0.374	20%	0.198	S	C	.	.			trans	-102.9	-41.2	-171.9	-54.2	-54.7	-178.4	-170.1	0	112.5	F131 P132 R303	F131-K221 HydrophobicContact CD1-CB 4.2Å; F131-K221 HydrophobicContact CD1-CG 4.18Å; F131-K221 HydrophobicContact CD2-CB 4.4Å; F131-K221 HydrophobicContact CD2-CG 3.85Å; F131-K221 HydrophobicContact CE1-CB 3.8Å; F131-K221 HydrophobicContact CE1-CG 4.21Å; F131-K221 HydrophobicContact CE2-CB 4.03Å; F131-K221 HydrophobicContact CE2-CG 3.91Å; F131-K221 HydrophobicContact CG-CB 4.49Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.73Å; F131-K221 HydrophobicContact CZ-CG 4.1Å; P132-K221 PolarHBondContact O-N 3.38Å; K221-R303 PolarHBondContact O-N 3.18Å
222	Y	98.9	Very high	97.7	Very high	8 Å²	8	33 Å²	33	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.7	-176	-83.6	-92	0	0	0	111.5	F131 A134 L243 L246 G248 R249 V300 A301	F131-Y222 AromaticContact CE1-CD2 3.9Å; F131-Y222 HydrophobicContact CE1-CD2 3.9Å; F131-Y222 AromaticContact CZ-CD2 3.73Å; F131-Y222 HydrophobicContact CZ-CD2 3.73Å; F131-Y222 AromaticContact CZ-CE2 3.92Å; F131-Y222 HydrophobicContact CZ-CE2 3.92Å; A134-Y222 PolarHBondContact N-O 3.39Å; Y222-L243 HydrophobicContact CD1-CD2 3.9Å; Y222-L243 HydrophobicContact CD2-CB 3.97Å; Y222-L243 HydrophobicContact CD2-CD2 4.35Å; Y222-L243 HydrophobicContact CE1-CD2 4.48Å; Y222-L243 HydrophobicContact CE2-CB 4.32Å; Y222-L243 HydrophobicContact CG-CB 4.3Å; Y222-L243 HydrophobicContact CG-CD1 4.41Å; Y222-L243 HydrophobicContact CG-CD2 3.83Å; Y222-L243 HydrophobicContact CG-CG 4.4Å; Y222-L246 HydrophobicContact CD1-CD1 4.45Å; Y222-L246 HydrophobicContact CE1-CB 4.38Å; Y222-L246 HydrophobicContact CE1-CD1 3.77Å; Y222-L246 VanDerWaalsContact OH-CB 3.3Å; Y222-L246 WeakPolarHBondContact OH-CB 3.34Å; Y222-G248 VanDerWaalsContact OH-CA 3.27Å; Y222-G248 WeakPolarHBondContact OH-CA 3.48Å; Y222-G248 PolarHBondContact OH-N 2.81Å; Y222-R249 WeakPolarHBondContact CE1-O 3.3Å; Y222-R249 PolarHBondContact OH-N 3.37Å; Y222-R249 PolarHBondContact OH-O 3.29Å; Y222-V300 HydrophobicContact CD1-CG1 3.79Å; Y222-V300 HydrophobicContact CE1-CG1 4.28Å; Y222-A301 CarbonylContact C-O 3.56Å; Y222-A301 WeakPolarHBondContact CA-O 3.45Å; Y222-A301 VanDerWaalsContact CD1-C 3.49Å; Y222-A301 WeakPolarHBondContact CD1-O 3.32Å
223	F	98.9	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.3	174.2	170	-87.4	0	0	0	109.8	A134 S136 M210 L213 W220 N225 I299 A301 V306	A134-F223 CarbonylContact O-C 3.45Å; A134-F223 WeakPolarHBondContact O-CA 3.39Å; S136-F223 VanDerWaalsContact CB-CE2 3.44Å; S136-F223 VanDerWaalsContact CB-CZ 3.45Å; M210-F223 HydrophobicContact CE-CD1 3.97Å; M210-F223 HydrophobicContact CE-CE1 3.36Å; M210-F223 HydrophobicContact CE-CE2 4.26Å; M210-F223 HydrophobicContact CE-CZ 3.52Å; M210-F223 HydrophobicContact CG-CD2 4.14Å; M210-F223 HydrophobicContact CG-CE1 4.42Å; M210-F223 HydrophobicContact CG-CE2 3.61Å; M210-F223 HydrophobicContact CG-CZ 3.78Å; L213-F223 HydrophobicContact CD1-CD2 3.79Å; L213-F223 HydrophobicContact CD1-CE2 3.79Å; W220-F223 HydrophobicContact CH2-CB 4.43Å; W220-F223 HydrophobicContact CZ3-CB 3.98Å; F223-N225 HydrophobicContact CE1-CB 3.74Å; F223-N225 HydrophobicContact CZ-CB 3.82Å; F223-I299 HydrophobicContact CD1-CD1 4.21Å; F223-I299 HydrophobicContact CD1-CG1 4.1Å; F223-I299 HydrophobicContact CE1-CD1 4.08Å; F223-I299 HydrophobicContact CE1-CG1 3.99Å; F223-A301 PolarHBondContact N-O 3.49Å; F223-A301 PolarHBondContact O-N 2.99Å; F223-V306 HydrophobicContact CB-CG2 3.68Å; F223-V306 HydrophobicContact CD1-CG2 4.38Å; F223-V306 HydrophobicContact CG-CG2 3.98Å
224	L	98.8	Very high	97.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.7	173.5	-79.3	61.9	0	0	0	108.3	I133 A134 Y135 S136 M239 L243 V300 L407 L408	I133-L224 HydrophobicContact CG2-CD1 3.86Å; I133-L224 HydrophobicContact CG2-CD2 4.3Å; A134-L224 PolarHBondContact O-N 3.28Å; Y135-L224 VanDerWaalsContact CA-O 3.25Å; Y135-L224 WeakPolarHBondContact CA-O 3.11Å; Y135-L224 HydrophobicContact CD1-CB 3.94Å; Y135-L224 HydrophobicContact CE1-CB 3.95Å; Y135-L224 HydrophobicContact CE1-CD2 3.83Å; S136-L224 PolarHBondContact N-O 2.95Å; L224-M239 HydrophobicContact CD2-SD 4.28Å; L224-L243 HydrophobicContact CD1-CD1 4.29Å; L224-L243 HydrophobicContact CD1-CD2 4.3Å; L224-V300 HydrophobicContact CD1-CG1 4.21Å; L224-V300 HydrophobicContact CD1-CG2 4.39Å; L224-V300 HydrophobicContact CG-CG2 4.16Å; L224-L407 HydrophobicContact CD2-CD1 4Å; L224-L408 HydrophobicContact CD2-CD1 4.09Å
225	N	98.7	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	153.3	169.7	65.7	-22.2	0	0	0	111.5	S136 D206 F223 A297 Y298 I299 R362	S136-N225 CarbonylContact O-C 3.59Å; S136-N225 VanDerWaalsContact O-CA 3.29Å; S136-N225 WeakPolarHBondContact O-CA 3.35Å; D206-N225 VanDerWaalsContact OD1-CB 3.29Å; D206-N225 WeakPolarHBondContact OD1-CB 3.41Å; D206-N225 PolarHBondContact OD2-ND2 2.9Å; F223-N225 HydrophobicContact CE1-CB 3.74Å; F223-N225 HydrophobicContact CZ-CB 3.82Å; N225-A297 PolarHBondContact ND2-O 3.26Å; N225-Y298 VanDerWaalsContact OD1-CA 3.28Å; N225-Y298 WeakPolarHBondContact OD1-CA 3.43Å; N225-I299 PolarHBondContact OD1-N 3.4Å; N225-R362 PolarHBondContact O-NH2 3.37Å
226	T	97.8	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.5	179.3	66.4	0	0	0	0	110.4	Y135 S136 M137 V138 D230 L408	Y135-T226 HydrophobicContact CD1-CG2 4.28Å; S136-T226 PolarHBondContact O-N 2.85Å; S136-T226 PolarHBondContact O-OG1 3.39Å; M137-T226 WeakPolarHBondContact CG-OG1 3.25Å; V138-T226 PolarHBondContact N-O 2.98Å; T226-D230 VanDerWaalsContact CA-OD2 3.29Å; T226-D230 WeakPolarHBondContact CA-OD2 3.45Å; T226-L408 HydrophobicContact CG2-CD2 3.86Å
227	C	94.4	Very high	97.6	Very high	19 Å²	19	31 Å²	31	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	166.6	166.5	74.7	0	0	0	0	111.1	V138 T229 D230 Y298	V138-C227 WeakPolarHBondContact O-CA 3.34Å; C227-T229 PolarHBondContact O-N 3.15Å; C227-T229 PolarHBondContact SG-OG1 3.4Å; C227-D230 PolarHBondContact N-OD2 3.38Å; C227-D230 WeakPolarHBondContact O-CB 3.45Å; C227-D230 PolarHBondContact O-N 3.3Å; C227-D230 VanDerWaalsContact SG-CG 3.58Å; C227-D230 PolarHBondContact SG-OD2 3.32Å; C227-D230 VanDerWaalsContact SG-OD2 3.42Å; C227-Y298 HydrophobicContact CB-CE1 4.31Å; C227-Y298 PolarHBondContact SG-OH 3.49Å; C227-Y298 VanDerWaalsContact SG-OH 3.32Å
228	G	91.4	Very high	97.7	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	1.2	-178.9	0	0	0	0	0	117.1	V138	V138-G228 PolarHBondContact O-N 3.28Å
229	T	95.8	Very high	97.7	Very high	36 Å²	36	28.4 Å²	28.4	22%	0.221	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	8.1	176.2	57.8	0	0	0	0	113.3	C227 N410 F412	C227-T229 PolarHBondContact O-N 3.15Å; C227-T229 PolarHBondContact SG-OG1 3.4Å; T229-N410 PolarHBondContact O-ND2 3.37Å; T229-N410 PolarHBondContact OG1-ND2 2.9Å; T229-F412 PolarHBondContact O-N 3.32Å
230	D	98.1	Very high	97.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	157	174.6	-70.3	-36.1	0	0	0	112.3	L149 T226 C227 R362 A409 N410	L149-D230 HydrophobicContact CD2-CB 4.43Å; T226-D230 VanDerWaalsContact CA-OD2 3.29Å; T226-D230 WeakPolarHBondContact CA-OD2 3.45Å; C227-D230 PolarHBondContact N-OD2 3.38Å; C227-D230 WeakPolarHBondContact O-CB 3.45Å; C227-D230 PolarHBondContact O-N 3.3Å; C227-D230 VanDerWaalsContact SG-CG 3.58Å; C227-D230 PolarHBondContact SG-OD2 3.32Å; C227-D230 VanDerWaalsContact SG-OD2 3.42Å; D230-R362 IonicContact OD1-CZ 3.75Å; D230-R362 IonicContact OD1-NE 3.38Å; D230-R362 IonicContact OD1-NH1 2.68Å; D230-R362 PolarHBondContact OD1-NH1 3.1Å; D230-R362 IonicContact OD2-CZ 3.4Å; D230-R362 IonicContact OD2-NE 3.96Å; D230-R362 IonicContact OD2-NH1 3.12Å; D230-R362 PolarHBondContact OD2-NH1 2.9Å; D230-R362 IonicContact OD2-NH2 3.36Å; D230-R362 PolarHBondContact OD2-NH2 3.41Å; D230-A409 WeakPolarHBondContact CA-O 3.37Å; D230-N410 VanDerWaalsContact OD1-CB 3.25Å; D230-N410 WeakPolarHBondContact OD1-CB 3.27Å; D230-N410 PolarHBondContact OD1-ND2 2.75Å
231	F	98.3	Very high	97.8	Very high	62 Å²	62	29 Å²	29	27%	0.272	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.2	168.5	-148.5	-102.2	0	0	0	110.5	R148 A152 L408 A409 F412	R148-F231 HydrophobicContact CB-CE2 4.35Å; A152-F231 HydrophobicContact CB-CE1 4.21Å; A152-F231 HydrophobicContact CB-CE2 3.94Å; A152-F231 HydrophobicContact CB-CZ 3.65Å; F231-L408 WeakPolarHBondContact O-CA 3.27Å; F231-A409 PolarHBondContact N-O 2.86Å; F231-A409 PolarHBondContact O-N 3.31Å; F231-F412 HydrophobicContact CB-CD1 4.46Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.4Å; F231-F412 HydrophobicContact CB-CE2 3.29Å; F231-F412 HydrophobicContact CB-CG 3.94Å; F231-F412 HydrophobicContact CB-CZ 3.81Å
232	P	98.3	Very high	97.8	Very high	18 Å²	18	26.2 Å²	26.2	12%	0.117	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.9	178.4	29.1	-36.2	0	0	0	112	A152 V153 M239	A152-P232 HydrophobicContact CB-CG 3.57Å; V153-P232 HydrophobicContact CG1-CB 3.97Å; V153-P232 HydrophobicContact CG1-CG 3.8Å; P232-M239 HydrophobicContact CB-CE 3.52Å
233	L	98.1	Very high	97.7	Very high	20 Å²	20	25.8 Å²	25.8	11%	0.105	15%	0.147	C	C	.	.	S	Bend	trans	-102.5	-12.1	170.1	-63.2	-175.4	0	0	0	112.8	L363 M401 H406 L407 A409	L233-L363 HydrophobicContact CD1-CB 4.22Å; L233-L363 HydrophobicContact CD1-CD2 3.87Å; L233-M401 HydrophobicContact CD2-CB 4.14Å; L233-M401 HydrophobicContact CD2-CE 3.8Å; L233-H406 HydrophobicContact CD1-CB 4.42Å; L233-L407 PolarHBondContact N-O 3.41Å; L233-A409 HydrophobicContact CD1-CB 3.89Å; L233-A409 HydrophobicContact CD2-CB 3.94Å; L233-A409 HydrophobicContact CG-CB 3.89Å
234	K	98.3	Very high	97.7	Very high	38 Å²	38	29.6 Å²	29.6	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	-123.7	145.4	-177.2	-61.5	-61.4	177.5	-66.1	0	109.3	E238 M239 N404 H406 L407	K234-E238 HydrophobicContact CB-CB 3.88Å; K234-E238 HydrophobicContact CD-CB 4.17Å; K234-E238 HydrophobicContact CG-CB 4.42Å; K234-M239 HydrophobicContact CB-CE 4.32Å; K234-M239 HydrophobicContact CB-CG 3.84Å; K234-M239 VanDerWaalsContact O-CE 3.27Å; K234-M239 WeakPolarHBondContact O-CE 3.15Å; K234-N404 PolarHBondContact NZ-O 3.3Å; K234-H406 PolarHBondContact NZ-O 3.19Å; K234-L407 HydrophobicContact CG-CD2 4.27Å; K234-L407 PolarHBondContact N-O 3.42Å
235	S	97.8	Very high	97.7	Very high	57 Å²	57	37.4 Å²	37.4	40%	0.399	20%	0.202	S	C	.	.			trans	-65	162.4	166.6	62.7	0	0	0	0	111	A237 E238 M239	S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 2.86Å; S235-E238 WeakPolarHBondContact CB-OE2 3.41Å; S235-E238 PolarHBondContact N-OE2 3.07Å; S235-E238 PolarHBondContact O-N 2.89Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.35Å; S235-E238 PolarHBondContact OG-N 3.14Å; S235-E238 PolarHBondContact OG-OE2 3.04Å; S235-M239 WeakPolarHBondContact O-CG 3.18Å; S235-M239 PolarHBondContact O-N 2.89Å
236	N	98.4	Very high	97.7	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-39.6	176.3	-175.3	78.3	0	0	0	111.9	E128 N158 M239 V240	E128-N236 WeakPolarHBondContact CG-ND2 3.31Å; E128-N236 WeakPolarHBondContact OE1-CB 3.3Å; E128-N236 PolarHBondContact OE1-ND2 3.13Å; N158-N236 PolarHBondContact ND2-OD1 2.81Å; N236-M239 PolarHBondContact O-N 2.95Å; N236-V240 WeakPolarHBondContact O-CG2 3.47Å; N236-V240 PolarHBondContact O-N 3.46Å
237	A	97.8	Very high	97.6	Very high	29 Å²	29	45.8 Å²	45.8	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-46.5	174.6	0	0	0	0	0	112.9	E128 S235 M239 V240 Q241	E128-A237 HydrophobicContact CG-CB 4.2Å; E128-A237 PolarHBondContact OE1-N 3.33Å; S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 2.86Å; A237-M239 VanDerWaalsContact C-N 3.34Å; A237-M239 PolarHBondContact O-N 2.84Å; A237-V240 PolarHBondContact O-N 3.14Å; A237-Q241 WeakPolarHBondContact O-CG 3.5Å; A237-Q241 PolarHBondContact O-N 3.32Å
238	E	98.6	Very high	97.6	Very high	89 Å²	89	47 Å²	47	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-38.1	175.9	-72.4	165.6	125.1	0	0	111.8	K234 S235 Q241 A242	K234-E238 HydrophobicContact CB-CB 3.88Å; K234-E238 HydrophobicContact CD-CB 4.17Å; K234-E238 HydrophobicContact CG-CB 4.42Å; S235-E238 WeakPolarHBondContact CB-OE2 3.41Å; S235-E238 PolarHBondContact N-OE2 3.07Å; S235-E238 PolarHBondContact O-N 2.89Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.35Å; S235-E238 PolarHBondContact OG-N 3.14Å; S235-E238 PolarHBondContact OG-OE2 3.04Å; E238-Q241 PolarHBondContact O-N 2.79Å; E238-A242 WeakPolarHBondContact O-CB 3.25Å; E238-A242 PolarHBondContact O-N 2.98Å
239	M	98.8	Very high	97.9	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-47.2	173.2	-66.6	-165.7	-169.4	0	0	110.9	I133 Y135 L224 P232 K234 S235 N236 A237 Q241 A242 L243 L407 L408	I133-M239 HydrophobicContact CD1-CB 3.98Å; Y135-M239 PolarHBondContact OH-SD 3.37Å; L224-M239 HydrophobicContact CD2-SD 4.28Å; P232-M239 HydrophobicContact CB-CE 3.52Å; K234-M239 HydrophobicContact CB-CE 4.32Å; K234-M239 HydrophobicContact CB-CG 3.84Å; K234-M239 VanDerWaalsContact O-CE 3.27Å; K234-M239 WeakPolarHBondContact O-CE 3.15Å; S235-M239 WeakPolarHBondContact O-CG 3.18Å; S235-M239 PolarHBondContact O-N 2.89Å; N236-M239 PolarHBondContact O-N 2.95Å; A237-M239 VanDerWaalsContact C-N 3.34Å; A237-M239 PolarHBondContact O-N 2.84Å; M239-Q241 VanDerWaalsContact C-N 3.31Å; M239-Q241 PolarHBondContact O-N 3.44Å; M239-A242 PolarHBondContact O-N 2.83Å; M239-L243 WeakPolarHBondContact O-CB 3.5Å; M239-L243 WeakPolarHBondContact O-CD1 3.39Å; M239-L243 WeakPolarHBondContact O-CG 3.18Å; M239-L243 PolarHBondContact O-N 2.9Å; M239-L407 HydrophobicContact CE-CB 4.43Å; M239-L407 WeakPolarHBondContact CE-O 3.38Å; M239-L407 HydrophobicContact CG-CB 4.45Å; M239-L407 HydrophobicContact CG-CD2 4.2Å; M239-L407 HydrophobicContact SD-CB 4.47Å; M239-L408 HydrophobicContact CE-CG 4.36Å
240	V	98.8	Very high	98.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-45.9	176.2	164.8	0	0	0	0	111.1	E127 E128 F131 I133 N236 A237 L243 K244	E127-V240 HydrophobicContact CG-CG1 3.73Å; E128-V240 HydrophobicContact CG-CG2 4.18Å; F131-V240 HydrophobicContact CB-CG1 3.64Å; F131-V240 HydrophobicContact CB-CG2 4.23Å; F131-V240 HydrophobicContact CD1-CB 4.33Å; F131-V240 HydrophobicContact CD1-CG1 3.97Å; F131-V240 HydrophobicContact CD1-CG2 4.1Å; F131-V240 HydrophobicContact CG-CG1 3.87Å; I133-V240 HydrophobicContact CD1-CG2 4.11Å; N236-V240 WeakPolarHBondContact O-CG2 3.47Å; N236-V240 PolarHBondContact O-N 3.46Å; A237-V240 PolarHBondContact O-N 3.14Å; V240-L243 PolarHBondContact O-N 2.95Å; V240-K244 HydrophobicContact CG1-CD 4.2Å; V240-K244 WeakPolarHBondContact O-CB 3.43Å; V240-K244 WeakPolarHBondContact O-CG 3.48Å; V240-K244 PolarHBondContact O-N 3.07Å
241	Q	98.6	Very high	98.1	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-47.5	178.5	-71.9	176.7	-7.2	0	0	112.1	E127 A237 E238 M239 L243 K244 M245	E127-Q241 PolarHBondContact OE2-NE2 3.01Å; A237-Q241 WeakPolarHBondContact O-CG 3.5Å; A237-Q241 PolarHBondContact O-N 3.32Å; E238-Q241 PolarHBondContact O-N 2.79Å; M239-Q241 VanDerWaalsContact C-N 3.31Å; M239-Q241 PolarHBondContact O-N 3.44Å; Q241-L243 VanDerWaalsContact C-N 3.32Å; Q241-L243 PolarHBondContact O-N 3.32Å; Q241-K244 PolarHBondContact O-N 2.96Å; Q241-M245 WeakPolarHBondContact O-CG 3.46Å; Q241-M245 PolarHBondContact O-N 3.23Å; Q241-M245 VanDerWaalsContact O-N 3.15Å
242	A	98.6	Very high	98.1	Very high	26 Å²	26	50.3 Å²	50.3	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-41.3	177.2	0	0	0	0	0	112.1	E238 M239 M245 L246 I360 L407	E238-A242 WeakPolarHBondContact O-CB 3.25Å; E238-A242 PolarHBondContact O-N 2.98Å; M239-A242 PolarHBondContact O-N 2.83Å; A242-M245 WeakPolarHBondContact O-CB 3.41Å; A242-M245 PolarHBondContact O-N 2.91Å; A242-L246 PolarHBondContact O-N 3.31Å; A242-I360 HydrophobicContact CB-CD1 4.41Å; A242-L407 HydrophobicContact CB-CD2 3.86Å
243	L	98.8	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.6	-36.1	179.2	-65.8	170.5	0	0	0	112.5	F131 I133 Y222 L224 M239 V240 Q241 M245 L246 V300 L407	F131-L243 HydrophobicContact CE1-CB 3.55Å; F131-L243 HydrophobicContact CE1-CD1 4.22Å; F131-L243 HydrophobicContact CZ-CB 3.97Å; I133-L243 HydrophobicContact CD1-CD1 3.62Å; I133-L243 HydrophobicContact CG1-CD1 3.86Å; Y222-L243 HydrophobicContact CD1-CD2 3.9Å; Y222-L243 HydrophobicContact CD2-CB 3.97Å; Y222-L243 HydrophobicContact CD2-CD2 4.35Å; Y222-L243 HydrophobicContact CE1-CD2 4.48Å; Y222-L243 HydrophobicContact CE2-CB 4.32Å; Y222-L243 HydrophobicContact CG-CB 4.3Å; Y222-L243 HydrophobicContact CG-CD1 4.41Å; Y222-L243 HydrophobicContact CG-CD2 3.83Å; Y222-L243 HydrophobicContact CG-CG 4.4Å; L224-L243 HydrophobicContact CD1-CD1 4.29Å; L224-L243 HydrophobicContact CD1-CD2 4.3Å; M239-L243 WeakPolarHBondContact O-CB 3.5Å; M239-L243 WeakPolarHBondContact O-CD1 3.39Å; M239-L243 WeakPolarHBondContact O-CG 3.18Å; M239-L243 PolarHBondContact O-N 2.9Å; V240-L243 PolarHBondContact O-N 2.95Å; Q241-L243 VanDerWaalsContact C-N 3.32Å; Q241-L243 PolarHBondContact O-N 3.32Å; L243-M245 VanDerWaalsContact C-N 3.27Å; L243-M245 PolarHBondContact O-N 3.42Å; L243-L246 HydrophobicContact CD2-CD1 4.05Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.06Å; L243-L246 VanDerWaalsContact O-N 3.17Å; L243-V300 HydrophobicContact CD2-CG1 3.23Å; L243-L407 HydrophobicContact CD2-CD1 4.1Å; L243-L407 HydrophobicContact CG-CD1 4.44Å
244	K	98.4	Very high	98.1	Very high	80 Å²	80	49.7 Å²	49.7	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-39.5	171.3	-79	179.6	177.5	-173.4	0	111.6	E127 F131 V240 Q241 L246 N247	E127-K244 IonicContact OE1-NZ 3.28Å; E127-K244 PolarHBondContact OE1-NZ 3.48Å; F131-K244 HydrophobicContact CD2-CD 4.25Å; F131-K244 HydrophobicContact CD2-CG 3.63Å; F131-K244 HydrophobicContact CE2-CB 4.46Å; F131-K244 HydrophobicContact CE2-CD 4.48Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.26Å; F131-K244 HydrophobicContact CZ-CG 3.89Å; V240-K244 HydrophobicContact CG1-CD 4.2Å; V240-K244 WeakPolarHBondContact O-CB 3.43Å; V240-K244 WeakPolarHBondContact O-CG 3.48Å; V240-K244 PolarHBondContact O-N 3.07Å; Q241-K244 PolarHBondContact O-N 2.96Å; K244-L246 PolarHBondContact O-N 3.33Å; K244-N247 PolarHBondContact O-N 2.88Å
245	M	98	Very high	98.1	Very high	165 Å²	165	50.9 Å²	50.9	81%	0.813	27%	0.266	S	S	*	.	H	α-helix	trans	-65	-22.7	177.8	-68.3	178.9	68.8	0	0	113.5	Q241 A242 L243 N247	Q241-M245 WeakPolarHBondContact O-CG 3.46Å; Q241-M245 PolarHBondContact O-N 3.23Å; Q241-M245 VanDerWaalsContact O-N 3.15Å; A242-M245 WeakPolarHBondContact O-CB 3.41Å; A242-M245 PolarHBondContact O-N 2.91Å; L243-M245 VanDerWaalsContact C-N 3.27Å; L243-M245 PolarHBondContact O-N 3.42Å; M245-N247 PolarHBondContact O-N 2.91Å
246	L	98	Very high	98.1	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.162	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.6	173.6	-63.1	-179.8	0	0	0	112.6	Y222 A242 L243 K244 G248 R249 V300 I360	Y222-L246 HydrophobicContact CD1-CD1 4.45Å; Y222-L246 HydrophobicContact CE1-CB 4.38Å; Y222-L246 HydrophobicContact CE1-CD1 3.77Å; Y222-L246 VanDerWaalsContact OH-CB 3.3Å; Y222-L246 WeakPolarHBondContact OH-CB 3.34Å; A242-L246 PolarHBondContact O-N 3.31Å; L243-L246 HydrophobicContact CD2-CD1 4.05Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.06Å; L243-L246 VanDerWaalsContact O-N 3.17Å; K244-L246 PolarHBondContact O-N 3.33Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.72Å; L246-R249 WeakPolarHBondContact CB-O 3.41Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å; L246-R249 WeakPolarHBondContact O-CG 3.42Å; L246-R249 PolarHBondContact O-N 3.18Å; L246-V300 HydrophobicContact CD1-CG1 3.76Å; L246-I360 HydrophobicContact CD1-CD1 4.04Å; L246-I360 HydrophobicContact CD2-CD1 4.41Å; L246-I360 HydrophobicContact CG-CD1 4.4Å
247	N	96.8	Very high	98	Very high	146 Å²	146	51.5 Å²	51.5	78%	0.781	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	49.5	174.7	-167.9	34.5	0	0	0	113.5	K244 M245 R249	K244-N247 PolarHBondContact O-N 2.88Å; M245-N247 PolarHBondContact O-N 2.91Å; N247-R249 VanDerWaalsContact C-N 3.3Å; N247-R249 PolarHBondContact O-N 2.7Å
248	G	95.3	Very high	97.9	Very high	43 Å²	43	52.6 Å²	52.6	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-5.2	-179.4	0	0	0	0	0	115.3	Y222 L246	Y222-G248 VanDerWaalsContact OH-CA 3.27Å; Y222-G248 WeakPolarHBondContact OH-CA 3.48Å; Y222-G248 PolarHBondContact OH-N 2.81Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.72Å
249	R	97.6	Very high	97.6	Very high	170 Å²	170	57.2 Å²	57.2	64%	0.642	29%	0.292	S	S	*	.			trans	-79	161.7	170.6	-58.7	-178.9	-179.2	180	0.8	111.2	Y222 L246 N247	Y222-R249 WeakPolarHBondContact CE1-O 3.3Å; Y222-R249 PolarHBondContact OH-N 3.37Å; Y222-R249 PolarHBondContact OH-O 3.29Å; L246-R249 WeakPolarHBondContact CB-O 3.41Å; L246-R249 WeakPolarHBondContact O-CB 3.36Å; L246-R249 WeakPolarHBondContact O-CG 3.42Å; L246-R249 PolarHBondContact O-N 3.18Å; N247-R249 VanDerWaalsContact C-N 3.3Å; N247-R249 PolarHBondContact O-N 2.7Å
250	N	98.6	Very high	97.3	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.043	32%	0.321	C	S	.	.			trans	-96.1	165.9	173.7	-44.6	-49.1	0	0	0	110.1	M252 V300 S302 F305 Q337 P343 G344	N250-M252 HydrophobicContact CB-CE 3.7Å; N250-V300 CarbonylContact C-O 3.54Å; N250-V300 WeakPolarHBondContact CA-O 3.27Å; N250-V300 WeakPolarHBondContact CB-O 3.43Å; N250-S302 PolarHBondContact OD1-N 2.73Å; N250-S302 PolarHBondContact OD1-OG 3.4Å; N250-S302 VanDerWaalsContact OD1-OG 3.1Å; N250-F305 WeakPolarHBondContact ND2-CD2 3.43Å; N250-Q337 PolarHBondContact ND2-OE1 3.43Å; N250-P343 PolarHBondContact ND2-O 2.78Å; N250-G344 PolarHBondContact ND2-O 3.19Å
251	S	98.4	Very high	97.1	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.063	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	113.7	170	-171.5	0	0	0	0	109.6	V300 I360	S251-V300 PolarHBondContact N-O 3.2Å; S251-V300 WeakPolarHBondContact O-CB 3.38Å; S251-V300 PolarHBondContact O-N 2.97Å; S251-I360 PolarHBondContact OG-N 2.88Å
252	M	98.3	Very high	96.9	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.6	177.9	62.7	-168.2	80.8	0	0	109	N250 T254 I299 A301 F305 W333 Q337 S359	N250-M252 HydrophobicContact CB-CE 3.7Å; M252-T254 PolarHBondContact O-N 3.3Å; M252-I299 HydrophobicContact CB-CB 4.1Å; M252-I299 HydrophobicContact CB-CG2 3.81Å; M252-I299 HydrophobicContact CE-CB 3.96Å; M252-I299 HydrophobicContact CE-CG2 4.11Å; M252-I299 HydrophobicContact CG-CG2 4.38Å; M252-I299 HydrophobicContact SD-CB 4.19Å; M252-I299 HydrophobicContact SD-CG2 3.67Å; M252-A301 HydrophobicContact CE-CB 4.45Å; M252-F305 HydrophobicContact CE-CE1 4.31Å; M252-F305 HydrophobicContact CE-CZ 4.19Å; M252-W333 HydrophobicContact SD-CB 3.87Å; M252-Q337 HydrophobicContact CE-CB 4.49Å; M252-Q337 HydrophobicContact CG-CB 4.08Å; M252-Q337 HydrophobicContact CG-CG 3.94Å; M252-Q337 HydrophobicContact SD-CB 3.79Å; M252-Q337 HydrophobicContact SD-CG 4.21Å; M252-S359 WeakPolarHBondContact CA-OG 3.49Å; M252-S359 PolarHBondContact N-OG 2.78Å
253	E	98.6	Very high	96.6	Very high	26 Å²	26	66 Å²	66	12%	0.121	33%	0.333	C	S	.	.			trans	-65.1	131.5	174	-171.6	-172.2	153.9	0	0	109.8	G295 N296 A334 I354 D356	E253-G295 VanDerWaalsContact CD-CA 3.46Å; E253-N296 WeakPolarHBondContact OE2-CB 3.47Å; E253-N296 PolarHBondContact OE2-N 2.72Å; E253-N296 PolarHBondContact OE2-ND2 2.78Å; E253-A334 WeakPolarHBondContact O-CB 3.32Å; E253-I354 CarbonylContact C-O 3.59Å; E253-I354 VanDerWaalsContact CA-O 3.29Å; E253-I354 WeakPolarHBondContact CA-O 3.4Å; E253-D356 HydrophobicContact CG-CB 4.48Å
254	T	98.6	Very high	96.5	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-157.4	101.5	177.9	175.5	0	0	0	0	109.7	M252 T294 A334 Q337 R338 D353 I354	M252-T254 PolarHBondContact O-N 3.3Å; T254-T294 WeakPolarHBondContact CA-O 3.03Å; T254-A334 PolarHBondContact OG1-O 3.41Å; T254-Q337 HydrophobicContact CG2-CB 4.43Å; T254-Q337 HydrophobicContact CG2-CG 3.83Å; T254-R338 PolarHBondContact O-NH1 2.93Å; T254-R338 WeakPolarHBondContact OG1-CD 3.46Å; T254-R338 WeakPolarHBondContact OG1-CG 3.32Å; T254-R338 PolarHBondContact OG1-NH1 2.71Å; T254-D353 VanDerWaalsContact O-CA 3.3Å; T254-D353 WeakPolarHBondContact O-CA 3.35Å; T254-I354 HydrophobicContact CG2-CB 4.14Å; T254-I354 HydrophobicContact CG2-CD1 4.22Å; T254-I354 HydrophobicContact CG2-CG1 4.3Å; T254-I354 PolarHBondContact N-O 2.82Å; T254-I354 PolarHBondContact O-N 3.44Å
255	E	98.2	Very high	96.5	Very high	63 Å²	63	65.8 Å²	65.8	29%	0.294	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-130.3	156.1	-174.9	-59.2	-171.2	98	0	0	111.1	F293 T294 D353 I354	E255-F293 WeakPolarHBondContact O-CD1 3.18Å; E255-T294 PolarHBondContact N-O 2.66Å; E255-T294 PolarHBondContact O-N 2.83Å; E255-D353 HydrophobicContact CB-CB 4.5Å; E255-D353 HydrophobicContact CG-CB 4.25Å; E255-I354 WeakPolarHBondContact CG-O 3.34Å
256	V	97.6	Very high	96.4	Very high	77 Å²	77	61.3 Å²	61.3	47%	0.467	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-55.7	129	171.3	172.2	0	0	0	0	109.1	F293 P350 D353	V256-F293 HydrophobicContact CG2-CE1 4.23Å; V256-P350 HydrophobicContact CG2-CB 4.33Å; V256-P350 HydrophobicContact CG2-CG 4.03Å; V256-D353 WeakPolarHBondContact CG2-OD2 3.3Å; V256-D353 PolarHBondContact N-OD2 2.96Å
257	P	96.4	Very high	96.3	Very high	18 Å²	18	63.8 Å²	63.8	12%	0.117	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.1	129.4	-171.7	26.6	-35	0	0	0	111.6	Q262 W265 M292 T294	P257-Q262 HydrophobicContact CB-CG 4.22Å; P257-Q262 HydrophobicContact CG-CG 4.35Å; P257-Q262 PolarHBondContact O-NE2 3.37Å; P257-W265 HydrophobicContact CB-CH2 3.53Å; P257-W265 HydrophobicContact CB-CZ2 3.86Å; P257-W265 HydrophobicContact CG-CH2 4.21Å; P257-W265 HydrophobicContact CG-CZ2 4.05Å; P257-M292 VanDerWaalsContact CD-O 3.32Å; P257-M292 WeakPolarHBondContact CD-O 3.35Å; P257-T294 HydrophobicContact CB-CG2 3.79Å
258	P	94.5	Very high	96.4	Very high	52 Å²	52	58 Å²	58	34%	0.338	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-65	148.1	171.3	29.9	-35.3	0	0	0	109.7	H260 K261	P258-H260 VanDerWaalsContact CG-CE1 3.49Å; P258-H260 WeakPolarHBondContact CG-CE1 3.4Å; P258-H260 PolarHBondContact O-N 2.91Å; P258-H260 VanDerWaalsContact O-N 3.07Å; P258-K261 HydrophobicContact CG-CB 4.06Å; P258-K261 HydrophobicContact CG-CD 4.11Å; P258-K261 HydrophobicContact CG-CG 3.87Å; P258-K261 PolarHBondContact O-N 2.95Å
259	K	93.7	Very high	96.5	Very high	185 Å²	185	57 Å²	57	80%	0.804	27%	0.266	S	S	*	.	H	α-helix	trans	-50.1	-41.1	-174.8	-69.9	-175.3	178	-179.5	0	113.3	K261 Q262	K259-K261 VanDerWaalsContact C-N 3.27Å; K259-K261 PolarHBondContact O-N 3.24Å; K259-Q262 PolarHBondContact O-N 2.9Å
260	H	91.4	Very high	96.4	Very high	137 Å²	137	54.6 Å²	54.6	63%	0.634	26%	0.262	S	S	*	.	H	α-helix	trans	-69.1	-19.7	-178	70.1	-95.8	0	0	0	114.1	P258 T263	P258-H260 VanDerWaalsContact CG-CE1 3.49Å; P258-H260 WeakPolarHBondContact CG-CE1 3.4Å; P258-H260 PolarHBondContact O-N 2.91Å; P258-H260 VanDerWaalsContact O-N 3.07Å; H260-T263 PolarHBondContact O-OG1 2.74Å
261	K	94.7	Very high	96.3	Very high	37 Å²	37	57.6 Å²	57.6	16%	0.161	28%	0.281	C	S	.	.	H	α-helix	trans	-86.6	-17.4	174.4	-74.8	-163.3	179.6	-164	0	112.7	P258 K259 T263 R264 W265 T294 E330	P258-K261 HydrophobicContact CG-CB 4.06Å; P258-K261 HydrophobicContact CG-CD 4.11Å; P258-K261 HydrophobicContact CG-CG 3.87Å; P258-K261 PolarHBondContact O-N 2.95Å; K259-K261 VanDerWaalsContact C-N 3.27Å; K259-K261 PolarHBondContact O-N 3.24Å; K261-T263 VanDerWaalsContact C-N 3.28Å; K261-T263 PolarHBondContact O-N 3.39Å; K261-R264 WeakPolarHBondContact O-CB 3.33Å; K261-R264 VanDerWaalsContact O-CG 3.3Å; K261-R264 WeakPolarHBondContact O-CG 3.4Å; K261-R264 PolarHBondContact O-N 2.9Å; K261-R264 VanDerWaalsContact O-N 3.13Å; K261-W265 HydrophobicContact CB-CH2 4.46Å; K261-W265 HydrophobicContact CB-CZ3 4.44Å; K261-W265 WeakPolarHBondContact O-CZ3 3.29Å; K261-T294 HydrophobicContact CB-CG2 4.15Å; K261-T294 HydrophobicContact CD-CG2 3.87Å; K261-E330 IonicContact NZ-OE2 2.71Å; K261-E330 PolarHBondContact NZ-OE2 3.01Å
262	Q	93.9	Very high	96.2	Very high	66 Å²	66	61.5 Å²	61.5	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-33.2	-175.7	-61.4	-178	16.5	0	0	112.8	P257 K259 R264 W265 E266	P257-Q262 HydrophobicContact CB-CG 4.22Å; P257-Q262 HydrophobicContact CG-CG 4.35Å; P257-Q262 PolarHBondContact O-NE2 3.37Å; K259-Q262 PolarHBondContact O-N 2.9Å; Q262-R264 PolarHBondContact O-N 2.83Å; Q262-W265 HydrophobicContact CB-CZ2 4.04Å; Q262-W265 HydrophobicContact CG-CH2 4.33Å; Q262-W265 HydrophobicContact CG-CZ2 3.87Å; Q262-W265 PolarHBondContact O-N 2.83Å; Q262-E266 WeakPolarHBondContact O-CG 3.36Å; Q262-E266 PolarHBondContact O-N 2.8Å
263	T	93.7	Very high	95.9	Very high	71 Å²	71	64 Å²	64	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-20.4	176	57.9	0	0	0	0	113.6	H260 K261 W265	H260-T263 PolarHBondContact O-OG1 2.74Å; K261-T263 VanDerWaalsContact C-N 3.28Å; K261-T263 PolarHBondContact O-N 3.39Å; T263-W265 PolarHBondContact O-N 2.82Å
264	R	96.4	Very high	95.6	Very high	52 Å²	52	66.9 Å²	66.9	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-22.6	179.9	-67	-176.8	175.6	-167.5	3.8	113.9	K261 Q262 F269 T325 Y326 E330	K261-R264 WeakPolarHBondContact O-CB 3.33Å; K261-R264 VanDerWaalsContact O-CG 3.3Å; K261-R264 WeakPolarHBondContact O-CG 3.4Å; K261-R264 PolarHBondContact O-N 2.9Å; K261-R264 VanDerWaalsContact O-N 3.13Å; Q262-R264 PolarHBondContact O-N 2.83Å; R264-F269 WeakPolarHBondContact O-CE2 2.87Å; R264-T325 WeakPolarHBondContact O-CB 3.47Å; R264-Y326 WeakPolarHBondContact CB-O 3.29Å; R264-Y326 HydrophobicContact CG-CD1 3.91Å; R264-Y326 HydrophobicContact CG-CG 4.47Å; R264-Y326 PolarHBondContact O-N 3.3Å; R264-E330 IonicContact CZ-OE2 2.72Å; R264-E330 VanDerWaalsContact NH1-CD 3.28Å; R264-E330 IonicContact NH1-OE1 3.7Å; R264-E330 IonicContact NH1-OE2 3.84Å; R264-E330 PolarHBondContact NH1-OE2 3.28Å; R264-E330 IonicContact NH2-OE2 3.43Å
265	W	97.1	Very high	95.4	Very high	23 Å²	23	70.7 Å²	70.7	9%	0.087	37%	0.37	C	S	.	.	H	α-helix	trans	-128.2	7	178.9	60.4	77.8	0	0	0	113.9	P257 K261 Q262 T263 K283 M292 T294 W321 T325 H331	P257-W265 HydrophobicContact CB-CH2 3.53Å; P257-W265 HydrophobicContact CB-CZ2 3.86Å; P257-W265 HydrophobicContact CG-CH2 4.21Å; P257-W265 HydrophobicContact CG-CZ2 4.05Å; K261-W265 HydrophobicContact CB-CH2 4.46Å; K261-W265 HydrophobicContact CB-CZ3 4.44Å; K261-W265 WeakPolarHBondContact O-CZ3 3.29Å; Q262-W265 HydrophobicContact CB-CZ2 4.04Å; Q262-W265 HydrophobicContact CG-CH2 4.33Å; Q262-W265 HydrophobicContact CG-CZ2 3.87Å; Q262-W265 PolarHBondContact O-N 2.83Å; T263-W265 PolarHBondContact O-N 2.82Å; W265-K283 WeakPolarHBondContact O-CD 3.4Å; W265-M292 HydrophobicContact CD2-CE 4.3Å; W265-M292 HydrophobicContact CG-CE 4.37Å; W265-M292 HydrophobicContact CZ2-CB 3.87Å; W265-T294 HydrophobicContact CH2-CG2 3.68Å; W265-T294 HydrophobicContact CZ3-CG2 3.79Å; W265-W321 HydrophobicContact CB-CH2 3.77Å; W265-W321 HydrophobicContact CB-CZ3 4.22Å; W265-W321 AromaticContact CD1-CH2 3.94Å; W265-W321 HydrophobicContact CG-CH2 4.08Å; W265-T325 HydrophobicContact CB-CG2 3.72Å; W265-H331 HydrophobicContact CE3-CB 4.4Å; W265-H331 AromaticContact CE3-CD2 3.45Å; W265-H331 VanDerWaalsContact CE3-CD2 3.45Å; W265-H331 HydrophobicContact CZ3-CB 4.25Å; W265-H331 AromaticContact CZ3-CD2 3.95Å
266	E	96.4	Very high	95.4	Very high	71 Å²	71	68.8 Å²	68.8	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-77.9	-25.7	172.8	-77.3	174.2	-177.5	0	0	112.7	Q262 K282 K283	Q262-E266 WeakPolarHBondContact O-CG 3.36Å; Q262-E266 PolarHBondContact O-N 2.8Å; E266-K282 WeakPolarHBondContact O-CA 3.29Å; E266-K282 WeakPolarHBondContact O-CG 3.44Å; E266-K283 PolarHBondContact O-N 2.86Å
267	Y	96.5	Very high	95.3	Very high	84 Å²	84	69.3 Å²	69.3	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.1	-176	-64	-89.5	0	0	0	111.1	F269 L278 K281 K282 K283	Y267-F269 WeakPolarHBondContact O-CD2 3.19Å; Y267-L278 VanDerWaalsContact CB-CD1 3.41Å; Y267-L278 HydrophobicContact CD2-CD1 4.44Å; Y267-L278 HydrophobicContact CG-CD1 4.03Å; Y267-K281 CarbonylContact C-O 3.54Å; Y267-K281 WeakPolarHBondContact CA-O 3.41Å; Y267-K282 HydrophobicContact CD1-CB 4.46Å; Y267-K282 HydrophobicContact CE1-CB 4.4Å; Y267-K283 VanDerWaalsContact O-CD 3.31Å; Y267-K283 WeakPolarHBondContact O-CD 3.5Å
268	H	97.6	Very high	95.3	Very high	23 Å²	23	73.5 Å²	73.5	11%	0.106	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	143.4	173.6	-68.8	-92.6	0	0	0	110.4	T279 K281 D324	H268-T279 WeakPolarHBondContact CB-OG1 3.33Å; H268-T279 WeakPolarHBondContact O-CB 3.33Å; H268-T279 WeakPolarHBondContact O-CG2 3.42Å; H268-T279 PolarHBondContact O-N 3.32Å; H268-T279 PolarHBondContact O-OG1 3.44Å; H268-K281 HydrophobicContact CB-CB 4.31Å; H268-K281 WeakPolarHBondContact CD2-CD 3.39Å; H268-K281 VanDerWaalsContact CD2-CG 3.44Å; H268-K281 WeakPolarHBondContact CD2-CG 3.25Å; H268-K281 PolarHBondContact CD2-O 3.45Å; H268-K281 PolarHBondContact N-O 3.38Å; H268-K281 WeakPolarHBondContact NE2-CE 3.27Å; H268-D324 CarbonylContact C-O 3.54Å; H268-D324 WeakPolarHBondContact CA-O 3.28Å; H268-D324 IonicContact CE1-OD2 3.6Å; H268-D324 PolarHBondContact CE1-OD2 2.89Å; H268-D324 IonicContact CG-OD2 2.71Å; H268-D324 VanDerWaalsContact ND1-CG 3.31Å; H268-D324 IonicContact ND1-OD1 3.64Å; H268-D324 IonicContact ND1-OD2 2.62Å; H268-D324 PolarHBondContact ND1-OD2 3.26Å
269	F	97.8	Very high	95.4	Very high	22 Å²	22	72.3 Å²	72.3	10%	0.096	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139	172.3	-71.8	-102.2	0	0	0	110	R264 Y267 L276 H277 L278 D324 Y326	R264-F269 WeakPolarHBondContact O-CE2 2.87Å; Y267-F269 WeakPolarHBondContact O-CD2 3.19Å; F269-L276 HydrophobicContact CB-CD1 3.82Å; F269-L276 HydrophobicContact CB-CD2 4.04Å; F269-L276 HydrophobicContact CB-CG 3.83Å; F269-L276 HydrophobicContact CD1-CD2 4.19Å; F269-L276 HydrophobicContact CD1-CG 4.11Å; F269-L276 HydrophobicContact CG-CD2 4.33Å; F269-L276 HydrophobicContact CG-CG 4.37Å; F269-H277 CarbonylContact C-O 3.57Å; F269-H277 WeakPolarHBondContact CA-O 3.03Å; F269-L278 HydrophobicContact CD1-CB 4.08Å; F269-L278 HydrophobicContact CD2-CD1 4.43Å; F269-L278 HydrophobicContact CE1-CB 3.6Å; F269-L278 HydrophobicContact CE1-CD1 3.93Å; F269-L278 HydrophobicContact CE1-CG 4.33Å; F269-L278 HydrophobicContact CE2-CD1 3.8Å; F269-L278 HydrophobicContact CZ-CB 4.09Å; F269-L278 HydrophobicContact CZ-CD1 3.52Å; F269-L278 HydrophobicContact CZ-CG 4.33Å; F269-D324 PolarHBondContact N-O 2.83Å; F269-Y326 AromaticContact CD1-CD2 3.89Å; F269-Y326 HydrophobicContact CD1-CD2 3.89Å; F269-Y326 HydrophobicContact CD1-CG 4.41Å; F269-Y326 AromaticContact CE1-CD2 3.61Å; F269-Y326 HydrophobicContact CE1-CD2 3.61Å; F269-Y326 AromaticContact CE1-CG 3.99Å; F269-Y326 HydrophobicContact CE1-CG 3.99Å; F269-Y326 VanDerWaalsContact CZ-CB 3.48Å; F269-Y326 HydrophobicContact CZ-CD2 4.26Å; F269-Y326 HydrophobicContact CZ-CG 4.18Å
270	E	96.9	Very high	95.5	Very high	120 Å²	120	71.5 Å²	71.5	56%	0.561	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	-178.8	-71.7	177.6	-173	0	0	110.6	H277 T279	E270-H277 PolarHBondContact N-O 3.32Å; E270-H277 PolarHBondContact O-N 3.01Å; E270-T279 HydrophobicContact CB-CG2 4.14Å; E270-T279 HydrophobicContact CG-CG2 3.74Å
271	V	96.4	Very high	95.8	Very high	72 Å²	72	71.1 Å²	71.1	44%	0.436	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.2	175.3	173.8	0	0	0	0	108.8	I196 L276	I196-V271 HydrophobicContact CD1-CB 4.49Å; I196-V271 HydrophobicContact CD1-CG1 3.37Å; I196-V271 HydrophobicContact CD1-CG2 4.32Å; V271-L276 HydrophobicContact CG2-CD1 3.78Å
272	V	95.2	Very high	95.9	Very high	91 Å²	91	76.5 Å²	76.5	55%	0.552	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.2	171.1	-174.8	0	0	0	0	107.8	D274 T275	V272-D274 PolarHBondContact O-N 2.94Å; V272-D274 VanDerWaalsContact O-N 3.15Å; V272-T275 PolarHBondContact N-O 3.18Å; V272-T275 PolarHBondContact O-N 3.13Å
273	G	92.4	Very high	96.1	Very high	55 Å²	55	74.2 Å²	74.2	57%	0.567	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-104.5	-174.4	0	0	0	0	0	113.2	R194	R194-G273 PolarHBondContact NH1-O 3.44Å
274	D	92.6	Very high	96.2	Very high	86 Å²	86	77 Å²	77	46%	0.46	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	13.7	179.8	-104.8	-32.6	0	0	0	112.8	R194 I196 V272	R194-D274 VanDerWaalsContact CZ-CG 3.47Å; R194-D274 IonicContact CZ-OD1 3.94Å; R194-D274 IonicContact CZ-OD2 2.62Å; R194-D274 IonicContact NE-OD1 3.17Å; R194-D274 PolarHBondContact NE-OD1 3.07Å; R194-D274 IonicContact NH1-OD1 2.63Å; R194-D274 PolarHBondContact NH1-OD1 3.47Å; R194-D274 IonicContact NH2-OD1 3.85Å; R194-D274 PolarHBondContact NH2-OD1 3.01Å; R194-D274 IonicContact NH2-OD2 3.84Å; R194-D274 PolarHBondContact NH2-OD2 2.93Å; I196-D274 WeakPolarHBondContact CG2-O 3.46Å; V272-D274 PolarHBondContact O-N 2.94Å; V272-D274 VanDerWaalsContact O-N 3.15Å
275	T	94.9	Very high	96.2	Very high	80 Å²	80	78.9 Å²	78.9	49%	0.491	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.7	-175.2	-54.6	0	0	0	0	110	V272 H277	V272-T275 PolarHBondContact N-O 3.18Å; V272-T275 PolarHBondContact O-N 3.13Å; T275-H277 WeakPolarHBondContact CB-NE2 3.38Å; T275-H277 PolarHBondContact O-CD2 3.2Å
276	L	96.5	Very high	96.1	Very high	22 Å²	22	79 Å²	79	12%	0.115	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.7	174.6	-169.8	70.6	0	0	0	109.4	A198 F269 V271 Y326	A198-L276 HydrophobicContact CB-CD2 4.31Å; A198-L276 VanDerWaalsContact O-CD2 3.28Å; A198-L276 WeakPolarHBondContact O-CD2 3.32Å; F269-L276 HydrophobicContact CB-CD1 3.82Å; F269-L276 HydrophobicContact CB-CD2 4.04Å; F269-L276 HydrophobicContact CB-CG 3.83Å; F269-L276 HydrophobicContact CD1-CD2 4.19Å; F269-L276 HydrophobicContact CD1-CG 4.11Å; F269-L276 HydrophobicContact CG-CD2 4.33Å; F269-L276 HydrophobicContact CG-CG 4.37Å; V271-L276 HydrophobicContact CG2-CD1 3.78Å; L276-Y326 HydrophobicContact CD2-CD2 3.76Å; L276-Y326 HydrophobicContact CD2-CE2 4.44Å; L276-Y326 HydrophobicContact CD2-CG 4.38Å
277	H	96.7	Very high	96.1	Very high	89 Å²	89	76.8 Å²	76.8	41%	0.412	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.6	-176.3	-68.1	-91.1	0	0	0	111.2	F269 E270 T275	F269-H277 CarbonylContact C-O 3.57Å; F269-H277 WeakPolarHBondContact CA-O 3.03Å; E270-H277 PolarHBondContact N-O 3.32Å; E270-H277 PolarHBondContact O-N 3.01Å; T275-H277 WeakPolarHBondContact CB-NE2 3.38Å; T275-H277 PolarHBondContact O-CD2 3.2Å
278	L	96.8	Very high	96	Very high	105 Å²	105	78 Å²	78	55%	0.55	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.1	170.3	174	63.3	0	0	0	109.9	Y267 F269	Y267-L278 VanDerWaalsContact CB-CD1 3.41Å; Y267-L278 HydrophobicContact CD2-CD1 4.44Å; Y267-L278 HydrophobicContact CG-CD1 4.03Å; F269-L278 HydrophobicContact CD1-CB 4.08Å; F269-L278 HydrophobicContact CD2-CD1 4.43Å; F269-L278 HydrophobicContact CE1-CB 3.6Å; F269-L278 HydrophobicContact CE1-CD1 3.93Å; F269-L278 HydrophobicContact CE1-CG 4.33Å; F269-L278 HydrophobicContact CE2-CD1 3.8Å; F269-L278 HydrophobicContact CZ-CB 4.09Å; F269-L278 HydrophobicContact CZ-CD1 3.52Å; F269-L278 HydrophobicContact CZ-CG 4.33Å
279	T	96.5	Very high	95.7	Very high	27 Å²	27	83.7 Å²	83.7	17%	0.166	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	166	171	76.8	0	0	0	0	111	H268 E270 K281	H268-T279 WeakPolarHBondContact CB-OG1 3.33Å; H268-T279 WeakPolarHBondContact O-CB 3.33Å; H268-T279 WeakPolarHBondContact O-CG2 3.42Å; H268-T279 PolarHBondContact O-N 3.32Å; H268-T279 PolarHBondContact O-OG1 3.44Å; E270-T279 HydrophobicContact CB-CG2 4.14Å; E270-T279 HydrophobicContact CG-CG2 3.74Å; T279-K281 PolarHBondContact O-N 3.15Å; T279-K281 PolarHBondContact OG1-N 3.19Å
280	N	95.4	Very high	95.6	Very high	168 Å²	168	83.7 Å²	83.7	90%	0.898	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	3.5	173.6	-66.2	-27.7	0	0	0	113.3
281	K	97	Very high	95.5	Very high	130 Å²	130	81.2 Å²	81.2	57%	0.565	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.9	-178.1	-169.5	-172.7	168.8	-167.4	0	109.3	Y267 H268 T279	Y267-K281 CarbonylContact C-O 3.54Å; Y267-K281 WeakPolarHBondContact CA-O 3.41Å; H268-K281 HydrophobicContact CB-CB 4.31Å; H268-K281 WeakPolarHBondContact CD2-CD 3.39Å; H268-K281 VanDerWaalsContact CD2-CG 3.44Å; H268-K281 WeakPolarHBondContact CD2-CG 3.25Å; H268-K281 PolarHBondContact CD2-O 3.45Å; H268-K281 PolarHBondContact N-O 3.38Å; H268-K281 WeakPolarHBondContact NE2-CE 3.27Å; T279-K281 PolarHBondContact O-N 3.15Å; T279-K281 PolarHBondContact OG1-N 3.19Å
282	K	97.3	Very high	95.6	Very high	149 Å²	149	78.3 Å²	78.3	65%	0.648	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.8	173.7	-165.5	176.1	-177.7	175.2	0	110.3	E266 Y267	E266-K282 WeakPolarHBondContact O-CA 3.29Å; E266-K282 WeakPolarHBondContact O-CG 3.44Å; Y267-K282 HydrophobicContact CD1-CB 4.46Å; Y267-K282 HydrophobicContact CE1-CB 4.4Å
283	K	97	Very high	95.8	Very high	18 Å²	18	74.2 Å²	74.2	8%	0.078	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-82.1	151.3	174.9	-72.8	178.5	59.6	68.3	0	111.4	W265 E266 Y267 W321 D324 T325	W265-K283 WeakPolarHBondContact O-CD 3.4Å; E266-K283 PolarHBondContact O-N 2.86Å; Y267-K283 VanDerWaalsContact O-CD 3.31Å; Y267-K283 WeakPolarHBondContact O-CD 3.5Å; K283-W321 WeakPolarHBondContact CE-O 3.23Å; K283-W321 PolarHBondContact NZ-O 3.45Å; K283-D324 IonicContact NZ-OD1 3.26Å; K283-D324 PolarHBondContact NZ-OD1 3.49Å; K283-D324 IonicContact NZ-OD2 3.7Å; K283-T325 HydrophobicContact CD-CG2 3.84Å; K283-T325 VanDerWaalsContact CE-CG2 3.46Å
284	D	96.3	Very high	96	Very high	129 Å²	129	71.9 Å²	71.9	69%	0.69	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-63.8	154.7	164.9	-65.3	-41.4	0	0	0	110.7	W321	D284-W321 WeakPolarHBondContact O-CZ2 3.42Å; D284-W321 PolarHBondContact O-NE1 3.24Å
285	P	96.3	Very high	96.2	Very high	93 Å²	93	67.8 Å²	67.8	60%	0.604	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-53.7	152.9	174.2	-25.1	34.5	0	0	0	112.6	W321	P285-W321 PolarHBondContact O-NE1 3.01Å
286	P	96.5	Very high	96.3	Very high	24 Å²	24	65.2 Å²	65.2	16%	0.156	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-53.2	142.5	175.2	-22.8	30.3	0	0	0	111.8	N289 L290 M292 W321	P286-N289 PolarHBondContact O-N 3.28Å; P286-L290 HydrophobicContact CB-CB 4.32Å; P286-M292 HydrophobicContact CB-CG 4.48Å; P286-M292 HydrophobicContact CB-SD 4.2Å; P286-M292 HydrophobicContact CG-CG 3.69Å; P286-M292 HydrophobicContact CG-SD 3.96Å; P286-W321 HydrophobicContact CB-CH2 4.27Å; P286-W321 HydrophobicContact CB-CZ2 4.26Å; P286-W321 HydrophobicContact CB-CZ3 4.47Å; P286-W321 HydrophobicContact CG-CH2 3.73Å; P286-W321 HydrophobicContact CG-CZ2 3.81Å; P286-W321 HydrophobicContact CG-CZ3 4.32Å
287	P	96.4	Very high	96.3	Very high	25 Å²	25	64.6 Å²	64.6	16%	0.162	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.2	144.2	-177.1	24.3	-33.9	0	0	0	111	N289 L290 Q317 L318 W321	P287-N289 PolarHBondContact O-N 3Å; P287-L290 WeakPolarHBondContact O-CB 3.44Å; P287-L290 PolarHBondContact O-N 2.74Å; P287-Q317 HydrophobicContact CB-CB 4.43Å; P287-Q317 HydrophobicContact CG-CB 4.47Å; P287-L318 HydrophobicContact CG-CB 4.27Å; P287-L318 HydrophobicContact CG-CD1 4.27Å; P287-W321 HydrophobicContact CG-CB 4.28Å
288	Y	93.4	Very high	96.4	Very high	109 Å²	109	62 Å²	62	43%	0.427	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	62	22.1	-177.4	-47.8	-79.7	0	0	0	115.3	L290 K314 Q317	Y288-L290 PolarHBondContact O-N 2.81Å; Y288-K314 HydrophobicContact CD2-CB 4.24Å; Y288-K314 HydrophobicContact CD2-CD 4.42Å; Y288-K314 HydrophobicContact CD2-CG 4.28Å; Y288-K314 HydrophobicContact CE1-CD 4.49Å; Y288-K314 HydrophobicContact CE1-CG 4.33Å; Y288-K314 HydrophobicContact CE2-CB 3.76Å; Y288-K314 HydrophobicContact CE2-CD 4.3Å; Y288-K314 HydrophobicContact CE2-CG 3.72Å; Y288-Q317 HydrophobicContact CE2-CB 4.35Å; Y288-Q317 PolarHBondContact OH-NE2 3.41Å; Y288-Q317 VanDerWaalsContact OH-NE2 3.08Å; Y288-Q317 PolarHBondContact OH-OE1 3.1Å
289	N	91.3	Very high	96.5	Very high	144 Å²	144	57.1 Å²	57.1	77%	0.77	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	54.1	37.5	-174.5	-61.6	-28.1	0	0	0	112.1	P286 P287 T291	P286-N289 PolarHBondContact O-N 3.28Å; P287-N289 PolarHBondContact O-N 3Å; N289-T291 PolarHBondContact O-N 3.36Å
290	L	95	Very high	96.6	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.11	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-67.2	133	-179.6	-172.1	60.3	0	0	0	110.2	P286 P287 Y288 M292 L318 T335 A339 W341	P286-L290 HydrophobicContact CB-CB 4.32Å; P287-L290 WeakPolarHBondContact O-CB 3.44Å; P287-L290 PolarHBondContact O-N 2.74Å; Y288-L290 PolarHBondContact O-N 2.81Å; L290-M292 PolarHBondContact O-N 2.99Å; L290-L318 HydrophobicContact CD2-CD1 4.28Å; L290-L318 HydrophobicContact CD2-CD2 3.77Å; L290-T335 HydrophobicContact CD2-CG2 3.41Å; L290-T335 VanDerWaalsContact CD2-CG2 3.41Å; L290-T335 HydrophobicContact CG-CG2 3.79Å; L290-A339 HydrophobicContact CD1-CB 4.43Å; L290-W341 HydrophobicContact CD1-CH2 3.77Å; L290-W341 HydrophobicContact CD1-CZ2 4.22Å; L290-W341 HydrophobicContact CD2-CZ2 4.34Å
291	T	96.4	Very high	96.7	Very high	68 Å²	68	47.9 Å²	47.9	42%	0.417	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-72.6	125.6	170.8	-49	0	0	0	0	109.3	N289 F293 N348	N289-T291 PolarHBondContact O-N 3.36Å; T291-F293 HydrophobicContact CG2-CE2 3.91Å; T291-F293 HydrophobicContact CG2-CZ 4.2Å; T291-F293 VanDerWaalsContact O-CD2 3.3Å; T291-F293 WeakPolarHBondContact O-CD2 3.21Å; T291-N348 WeakPolarHBondContact CB-ND2 3.41Å; T291-N348 PolarHBondContact OG1-ND2 3.18Å
292	M	97.9	Very high	96.8	Very high	12 Å²	12	42 Å²	42	6%	0.059	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-77.5	143	175.8	-66.3	-62.9	-65.6	0	0	111.1	P257 W265 P286 L290 L318 W321 H331 T335	P257-M292 VanDerWaalsContact CD-O 3.32Å; P257-M292 WeakPolarHBondContact CD-O 3.35Å; W265-M292 HydrophobicContact CD2-CE 4.3Å; W265-M292 HydrophobicContact CG-CE 4.37Å; W265-M292 HydrophobicContact CZ2-CB 3.87Å; P286-M292 HydrophobicContact CB-CG 4.48Å; P286-M292 HydrophobicContact CB-SD 4.2Å; P286-M292 HydrophobicContact CG-CG 3.69Å; P286-M292 HydrophobicContact CG-SD 3.96Å; L290-M292 PolarHBondContact O-N 2.99Å; M292-L318 HydrophobicContact SD-CD1 4.49Å; M292-W321 HydrophobicContact CE-CH2 4.45Å; M292-W321 HydrophobicContact CE-CZ3 3.88Å; M292-W321 HydrophobicContact SD-CH2 4.22Å; M292-W321 HydrophobicContact SD-CZ3 3.82Å; M292-H331 HydrophobicContact CE-CB 4.02Å; M292-T335 HydrophobicContact SD-CG2 3.94Å
293	F	98.4	Very high	96.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.018	20%	0.202	C	C	.	.			trans	-127.9	154.4	174.3	-71	-93.2	0	0	0	109.9	E255 V256 T291 H331 A334 T335 R338 N348	E255-F293 WeakPolarHBondContact O-CD1 3.18Å; V256-F293 HydrophobicContact CG2-CE1 4.23Å; T291-F293 HydrophobicContact CG2-CE2 3.91Å; T291-F293 HydrophobicContact CG2-CZ 4.2Å; T291-F293 VanDerWaalsContact O-CD2 3.3Å; T291-F293 WeakPolarHBondContact O-CD2 3.21Å; F293-H331 VanDerWaalsContact O-CA 3.31Å; F293-H331 WeakPolarHBondContact O-CA 3.41Å; F293-H331 VanDerWaalsContact O-CB 3.3Å; F293-H331 WeakPolarHBondContact O-CB 2.72Å; F293-A334 HydrophobicContact CB-CB 4.03Å; F293-T335 PolarHBondContact N-OG1 2.92Å; F293-T335 PolarHBondContact O-OG1 3.25Å; F293-R338 HydrophobicContact CB-CG 4.38Å; F293-R338 HydrophobicContact CD1-CG 3.96Å; F293-R338 HydrophobicContact CD2-CB 3.65Å; F293-R338 HydrophobicContact CD2-CG 3.51Å; F293-R338 HydrophobicContact CE1-CG 4.1Å; F293-R338 VanDerWaalsContact CE1-CZ 3.4Å; F293-R338 VanDerWaalsContact CE1-NH1 3.28Å; F293-R338 HydrophobicContact CE2-CB 3.51Å; F293-R338 HydrophobicContact CE2-CG 3.63Å; F293-R338 HydrophobicContact CG-CB 4.35Å; F293-R338 HydrophobicContact CG-CG 3.68Å; F293-R338 HydrophobicContact CZ-CB 4.11Å; F293-R338 HydrophobicContact CZ-CG 3.93Å; F293-N348 HydrophobicContact CZ-CB 4.49Å; F293-N348 VanDerWaalsContact CZ-OD1 3.24Å; F293-N348 WeakPolarHBondContact CZ-OD1 3.36Å
294	T	97.9	Very high	97	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.037	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-111.1	151.4	175.5	48.7	0	0	0	0	111.5	T254 E255 P257 K261 W265 E330 A334	T254-T294 WeakPolarHBondContact CA-O 3.03Å; E255-T294 PolarHBondContact N-O 2.66Å; E255-T294 PolarHBondContact O-N 2.83Å; P257-T294 HydrophobicContact CB-CG2 3.79Å; K261-T294 HydrophobicContact CB-CG2 4.15Å; K261-T294 HydrophobicContact CD-CG2 3.87Å; W265-T294 HydrophobicContact CH2-CG2 3.68Å; W265-T294 HydrophobicContact CZ3-CG2 3.79Å; T294-E330 CarbonylContact C-O 3.54Å; T294-E330 WeakPolarHBondContact CA-O 3.41Å; T294-A334 VanDerWaalsContact C-CB 3.41Å
295	G	97	Very high	97.1	Very high	1 Å²	1	36 Å²	36	1%	0.01	19%	0.189	C	C	.	.			trans	-160.2	-143	169.3	0	0	0	0	0	109.6	E253 E330	E253-G295 VanDerWaalsContact CD-CA 3.46Å; G295-E330 PolarHBondContact N-O 3.45Å; G295-E330 WeakPolarHBondContact O-CA 3.29Å; G295-E330 WeakPolarHBondContact O-CB 3.44Å
296	N	95.3	Very high	97.2	Very high	25 Å²	25	31.6 Å²	31.6	13%	0.134	16%	0.161	C	C	.	.			trans	-121.3	174.3	174.9	70.5	61.1	0	0	0	112.2	E253 Y298 D329	E253-N296 WeakPolarHBondContact OE2-CB 3.47Å; E253-N296 PolarHBondContact OE2-N 2.72Å; E253-N296 PolarHBondContact OE2-ND2 2.78Å; N296-Y298 PolarHBondContact O-N 3.47Å; N296-Y298 WeakPolarHBondContact OD1-CA 3.35Å; N296-Y298 WeakPolarHBondContact OD1-CB 3.31Å; N296-Y298 PolarHBondContact OD1-N 3.29Å; N296-Y298 PolarHBondContact OD1-O 3Å; N296-Y298 VanDerWaalsContact OD1-O 3.13Å; N296-D329 CarbonylContact C-O 3.52Å
297	A	97.4	Very high	97.3	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	17%	0.167	C	C	.	.	S	Bend	trans	-68.4	-14.2	-176.8	0	0	0	0	0	114.5	N225 D329	N225-A297 PolarHBondContact ND2-O 3.26Å; A297-D329 HydrophobicContact CB-CB 3.86Å; A297-D329 WeakPolarHBondContact CB-OD2 3.36Å
298	Y	98.3	Very high	97.4	Very high	34 Å²	34	35.4 Å²	35.4	13%	0.133	17%	0.174	C	C	.	.			trans	-103.6	129.6	-169	-50.7	-69.2	0	0	0	112.2	N225 C227 N296 R362	N225-Y298 VanDerWaalsContact OD1-CA 3.28Å; N225-Y298 WeakPolarHBondContact OD1-CA 3.43Å; C227-Y298 HydrophobicContact CB-CE1 4.31Å; C227-Y298 PolarHBondContact SG-OH 3.49Å; C227-Y298 VanDerWaalsContact SG-OH 3.32Å; N296-Y298 PolarHBondContact O-N 3.47Å; N296-Y298 WeakPolarHBondContact OD1-CA 3.35Å; N296-Y298 WeakPolarHBondContact OD1-CB 3.31Å; N296-Y298 PolarHBondContact OD1-N 3.29Å; N296-Y298 PolarHBondContact OD1-O 3Å; N296-Y298 VanDerWaalsContact OD1-O 3.13Å; Y298-R362 VanDerWaalsContact CD1-NH2 3.31Å; Y298-R362 HydrophobicContact CD2-CB 4.05Å; Y298-R362 HydrophobicContact CD2-CG 3.89Å; Y298-R362 HydrophobicContact CE2-CG 4.32Å; Y298-R362 HydrophobicContact CG-CB 4.36Å; Y298-R362 HydrophobicContact CG-CG 4.4Å
299	I	98.6	Very high	97.6	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	-173.4	67.9	177.4	0	0	0	112.1	M210 F223 N225 M252 A301 W333	M210-I299 HydrophobicContact CE-CD1 3.86Å; F223-I299 HydrophobicContact CD1-CD1 4.21Å; F223-I299 HydrophobicContact CD1-CG1 4.1Å; F223-I299 HydrophobicContact CE1-CD1 4.08Å; F223-I299 HydrophobicContact CE1-CG1 3.99Å; N225-I299 PolarHBondContact OD1-N 3.4Å; M252-I299 HydrophobicContact CB-CB 4.1Å; M252-I299 HydrophobicContact CB-CG2 3.81Å; M252-I299 HydrophobicContact CE-CB 3.96Å; M252-I299 HydrophobicContact CE-CG2 4.11Å; M252-I299 HydrophobicContact CG-CG2 4.38Å; M252-I299 HydrophobicContact SD-CB 4.19Å; M252-I299 HydrophobicContact SD-CG2 3.67Å; I299-A301 HydrophobicContact CD1-CB 4.06Å; I299-A301 HydrophobicContact CG1-CB 4.41Å; I299-W333 HydrophobicContact CD1-CD2 4.16Å; I299-W333 HydrophobicContact CD1-CE3 4.36Å; I299-W333 HydrophobicContact CD1-CG 4.4Å; I299-W333 HydrophobicContact CG2-CB 3.67Å; I299-W333 HydrophobicContact CG2-CG 3.71Å
300	V	98.8	Very high	98	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.7	160.2	174.4	0	0	0	0	106.9	Y222 L224 L243 L246 N250 S251 I360 A361 L407	Y222-V300 HydrophobicContact CD1-CG1 3.79Å; Y222-V300 HydrophobicContact CE1-CG1 4.28Å; L224-V300 HydrophobicContact CD1-CG1 4.21Å; L224-V300 HydrophobicContact CD1-CG2 4.39Å; L224-V300 HydrophobicContact CG-CG2 4.16Å; L243-V300 HydrophobicContact CD2-CG1 3.23Å; L246-V300 HydrophobicContact CD1-CG1 3.76Å; N250-V300 CarbonylContact C-O 3.54Å; N250-V300 WeakPolarHBondContact CA-O 3.27Å; N250-V300 WeakPolarHBondContact CB-O 3.43Å; S251-V300 PolarHBondContact N-O 3.2Å; S251-V300 WeakPolarHBondContact O-CB 3.38Å; S251-V300 PolarHBondContact O-N 2.97Å; V300-I360 HydrophobicContact CG2-CG1 4.19Å; V300-A361 HydrophobicContact CG2-CB 3.93Å; V300-L407 HydrophobicContact CG2-CD1 3.99Å
301	A	98.8	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.6	-173.7	0	0	0	0	0	111.8	Y222 F223 M252 I299 F305 V306	Y222-A301 CarbonylContact C-O 3.56Å; Y222-A301 WeakPolarHBondContact CA-O 3.45Å; Y222-A301 VanDerWaalsContact CD1-C 3.49Å; Y222-A301 WeakPolarHBondContact CD1-O 3.32Å; F223-A301 PolarHBondContact N-O 3.49Å; F223-A301 PolarHBondContact O-N 2.99Å; M252-A301 HydrophobicContact CE-CB 4.45Å; I299-A301 HydrophobicContact CD1-CB 4.06Å; I299-A301 HydrophobicContact CG1-CB 4.41Å; A301-F305 HydrophobicContact CB-CB 4.38Å; A301-F305 HydrophobicContact CB-CD1 3.65Å; A301-F305 HydrophobicContact CB-CE1 4.28Å; A301-F305 HydrophobicContact CB-CG 4.27Å; A301-V306 HydrophobicContact CB-CG2 4.16Å
302	S	98.8	Very high	98.2	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	154.6	171.3	62.6	0	0	0	0	111.2	N250 D304 F305 V306	N250-S302 PolarHBondContact OD1-N 2.73Å; N250-S302 PolarHBondContact OD1-OG 3.4Å; N250-S302 VanDerWaalsContact OD1-OG 3.1Å; S302-D304 PolarHBondContact O-N 3.21Å; S302-F305 WeakPolarHBondContact O-CB 3.2Å; S302-F305 PolarHBondContact O-N 3.32Å; S302-F305 VanDerWaalsContact O-N 3.14Å; S302-F305 WeakPolarHBondContact OG-CB 3.18Å; S302-F305 PolarHBondContact OG-N 3.47Å; S302-V306 PolarHBondContact O-N 2.03Å; S302-V306 VanDerWaalsContact O-N 3.12Å
303	R	98.8	Very high	98.2	Very high	75 Å²	75	33 Å²	33	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-55.5	-37.5	173.2	-175	159.3	-173.6	-99.9	6.1	112.9	L214 W220 K221 V306 Q307	L214-R303 HydrophobicContact CD2-CG 3.97Å; W220-R303 HydrophobicContact CD2-CB 4.49Å; W220-R303 HydrophobicContact CD2-CG 4.27Å; W220-R303 HydrophobicContact CE3-CB 3.75Å; W220-R303 HydrophobicContact CE3-CG 3.97Å; W220-R303 HydrophobicContact CH2-CB 3.8Å; W220-R303 HydrophobicContact CH2-CG 3.51Å; W220-R303 HydrophobicContact CZ2-CG 3.83Å; W220-R303 HydrophobicContact CZ3-CB 3.36Å; W220-R303 HydrophobicContact CZ3-CG 3.59Å; W220-R303 WeakPolarHBondContact O-CD 3.28Å; K221-R303 PolarHBondContact O-N 3.18Å; R303-V306 PolarHBondContact O-N 3.05Å; R303-Q307 WeakPolarHBondContact O-CB 3.36Å; R303-Q307 PolarHBondContact O-N 2.95Å
304	D	98.6	Very high	98.2	Very high	96 Å²	96	36.6 Å²	36.6	51%	0.513	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-40.3	177.9	-69.1	-16.5	0	0	0	112	S302 Q307 H308 P343	S302-D304 PolarHBondContact O-N 3.21Å; D304-Q307 PolarHBondContact O-N 3.38Å; D304-H308 WeakPolarHBondContact O-CB 3.03Å; D304-H308 PolarHBondContact O-N 3.43Å; D304-H308 PolarHBondContact O-ND1 2.81Å; D304-P343 HydrophobicContact CB-CB 3.83Å; D304-P343 HydrophobicContact CB-CG 4.05Å
305	F	98.8	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-51.9	173.1	179.9	-88.9	0	0	0	110.3	N250 M252 A301 S302 Q307 H308 V309 L336 M342 P343	N250-F305 WeakPolarHBondContact ND2-CD2 3.43Å; M252-F305 HydrophobicContact CE-CE1 4.31Å; M252-F305 HydrophobicContact CE-CZ 4.19Å; A301-F305 HydrophobicContact CB-CB 4.38Å; A301-F305 HydrophobicContact CB-CD1 3.65Å; A301-F305 HydrophobicContact CB-CE1 4.28Å; A301-F305 HydrophobicContact CB-CG 4.27Å; S302-F305 WeakPolarHBondContact O-CB 3.2Å; S302-F305 PolarHBondContact O-N 3.32Å; S302-F305 VanDerWaalsContact O-N 3.14Å; S302-F305 WeakPolarHBondContact OG-CB 3.18Å; S302-F305 PolarHBondContact OG-N 3.47Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.31Å; F305-H308 CarbonylContact O-C 3.59Å; F305-H308 PolarHBondContact O-N 2.99Å; F305-V309 HydrophobicContact CD1-CG2 3.75Å; F305-V309 HydrophobicContact CE1-CG2 3.48Å; F305-V309 VanDerWaalsContact CE1-CG2 3.48Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.08Å; F305-V309 PolarHBondContact O-N 3.29Å; F305-L336 HydrophobicContact CE2-CB 4.22Å; F305-L336 HydrophobicContact CZ-CB 3.87Å; F305-M342 HydrophobicContact CD1-CE 4.44Å; F305-M342 HydrophobicContact CD2-CB 4.2Å; F305-M342 HydrophobicContact CD2-CE 3.53Å; F305-M342 HydrophobicContact CE1-CE 4.38Å; F305-M342 HydrophobicContact CE2-CB 4.12Å; F305-M342 HydrophobicContact CE2-CE 3.47Å; F305-M342 VanDerWaalsContact CE2-CE 3.47Å; F305-M342 HydrophobicContact CE2-CG 4.46Å; F305-M342 HydrophobicContact CG-CE 4.07Å; F305-M342 HydrophobicContact CZ-CE 3.93Å; F305-P343 WeakPolarHBondContact CD2-O 3.28Å
306	V	98.8	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-43.9	179.4	177.8	0	0	0	0	111.6	M210 L214 W220 F223 A301 S302 R303 H308 V309 L310	M210-V306 HydrophobicContact CB-CG1 3.59Å; M210-V306 HydrophobicContact CG-CG1 3.62Å; M210-V306 HydrophobicContact SD-CG1 3.95Å; L214-V306 HydrophobicContact CD1-CG1 4Å; L214-V306 HydrophobicContact CG-CG1 4.22Å; W220-V306 HydrophobicContact CH2-CB 4.1Å; W220-V306 HydrophobicContact CH2-CG1 4.19Å; W220-V306 HydrophobicContact CH2-CG2 4.26Å; F223-V306 HydrophobicContact CB-CG2 3.68Å; F223-V306 HydrophobicContact CD1-CG2 4.38Å; F223-V306 HydrophobicContact CG-CG2 3.98Å; A301-V306 HydrophobicContact CB-CG2 4.16Å; S302-V306 PolarHBondContact O-N 2.03Å; S302-V306 VanDerWaalsContact O-N 3.12Å; R303-V306 PolarHBondContact O-N 3.05Å; V306-H308 VanDerWaalsContact C-N 3.32Å; V306-H308 PolarHBondContact O-N 2.73Å; V306-V309 WeakPolarHBondContact O-CB 3.43Å; V306-V309 PolarHBondContact O-N 3.15Å; V306-L310 PolarHBondContact O-N 3.3Å
307	Q	98.6	Very high	98.4	Very high	62 Å²	62	43 Å²	43	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-41.2	175.1	178.9	170.3	-29.6	0	0	112.3	L214 R303 D304 F305 L310 K311	L214-Q307 HydrophobicContact CD1-CB 4.37Å; L214-Q307 HydrophobicContact CD2-CB 4.19Å; R303-Q307 WeakPolarHBondContact O-CB 3.36Å; R303-Q307 PolarHBondContact O-N 2.95Å; D304-Q307 PolarHBondContact O-N 3.38Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.31Å; Q307-L310 PolarHBondContact O-N 3.28Å; Q307-K311 HydrophobicContact CG-CD 3.82Å; Q307-K311 HydrophobicContact CG-CG 4.48Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 WeakPolarHBondContact O-CG 3.35Å; Q307-K311 PolarHBondContact O-N 3.41Å
308	H	98.5	Very high	98.5	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.31	21%	0.206	S	C	.	.	H	α-helix	trans	-71.5	-33.5	177.9	-79.5	69.7	0	0	0	112.7	D304 F305 V306 L310 K311 N312 M342 P343	D304-H308 WeakPolarHBondContact O-CB 3.03Å; D304-H308 PolarHBondContact O-N 3.43Å; D304-H308 PolarHBondContact O-ND1 2.81Å; F305-H308 CarbonylContact O-C 3.59Å; F305-H308 PolarHBondContact O-N 2.99Å; V306-H308 VanDerWaalsContact C-N 3.32Å; V306-H308 PolarHBondContact O-N 2.73Å; H308-L310 VanDerWaalsContact C-N 3.26Å; H308-L310 PolarHBondContact O-N 3.31Å; H308-K311 PolarHBondContact O-N 2.82Å; H308-N312 HydrophobicContact CB-CB 4.48Å; H308-N312 WeakPolarHBondContact O-CB 3.32Å; H308-N312 PolarHBondContact O-N 2.93Å; H308-M342 HydrophobicContact CB-CE 3.95Å; H308-M342 HydrophobicContact CB-SD 4.02Å; H308-P343 HydrophobicContact CB-CG 4.11Å; H308-P343 VanDerWaalsContact CG-CD 3.44Å; H308-P343 VanDerWaalsContact ND1-CG 3.3Å; H308-P343 WeakPolarHBondContact ND1-CG 3.48Å
309	V	98.6	Very high	98.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-53.9	-48.3	172.2	172.1	0	0	0	0	109.7	L207 F305 V306 Q316 I319 W333 L336 M342	L207-V309 HydrophobicContact CD2-CG1 3.69Å; F305-V309 HydrophobicContact CD1-CG2 3.75Å; F305-V309 HydrophobicContact CE1-CG2 3.48Å; F305-V309 VanDerWaalsContact CE1-CG2 3.48Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.08Å; F305-V309 PolarHBondContact O-N 3.29Å; V306-V309 WeakPolarHBondContact O-CB 3.43Å; V306-V309 PolarHBondContact O-N 3.15Å; V309-Q316 PolarHBondContact O-NE2 2.86Å; V309-I319 HydrophobicContact CG1-CD1 3.85Å; V309-W333 HydrophobicContact CG1-CZ3 4Å; V309-W333 HydrophobicContact CG2-CZ3 4.44Å; V309-L336 HydrophobicContact CG2-CD1 4.15Å; V309-M342 HydrophobicContact CG2-CE 3.64Å
310	L	98.4	Very high	98.5	Very high	42 Å²	42	46.7 Å²	46.7	22%	0.22	23%	0.225	C	C	.	.	H	α-helix	trans	-79.9	-30.9	-175.8	-59.6	-173.1	0	0	0	114.6	L207 M210 E211 L214 V306 Q307 H308 Q316	L207-L310 HydrophobicContact CD2-CD2 3.8Å; M210-L310 HydrophobicContact CB-CD1 4.33Å; E211-L310 HydrophobicContact CB-CD1 3.97Å; E211-L310 HydrophobicContact CG-CD1 4.49Å; L214-L310 HydrophobicContact CD1-CD1 3.62Å; L214-L310 HydrophobicContact CD1-CG 4.43Å; V306-L310 PolarHBondContact O-N 3.3Å; Q307-L310 PolarHBondContact O-N 3.28Å; H308-L310 VanDerWaalsContact C-N 3.26Å; H308-L310 PolarHBondContact O-N 3.31Å; L310-Q316 PolarHBondContact O-NE2 3.17Å
311	K	98.1	Very high	98.5	Very high	140 Å²	140	48.1 Å²	48.1	61%	0.609	23%	0.231	S	C	*	.	H	α-helix	trans	-106.6	-24.6	-170.7	-62.1	-176.4	-175.5	177.7	0	114.7	Q307 H308 P313	Q307-K311 HydrophobicContact CG-CD 3.82Å; Q307-K311 HydrophobicContact CG-CG 4.48Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 WeakPolarHBondContact O-CG 3.35Å; Q307-K311 PolarHBondContact O-N 3.41Å; H308-K311 PolarHBondContact O-N 2.82Å; K311-P313 WeakPolarHBondContact O-CD 3.35Å
312	N	98.1	Very high	98.5	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.182	23%	0.231	C	C	.	.			trans	-75.8	125.7	-175.1	-175.4	-78.6	0	0	0	110.6	H308 K314 S315 Q316	H308-N312 HydrophobicContact CB-CB 4.48Å; H308-N312 WeakPolarHBondContact O-CB 3.32Å; H308-N312 PolarHBondContact O-N 2.93Å; N312-K314 VanDerWaalsContact C-N 3.27Å; N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CA 3.46Å; N312-K314 VanDerWaalsContact OD1-CB 3.26Å; N312-K314 WeakPolarHBondContact OD1-CB 3.43Å; N312-K314 PolarHBondContact OD1-N 2.96Å; N312-S315 WeakPolarHBondContact O-CB 3.26Å; N312-S315 PolarHBondContact O-N 3.36Å; N312-S315 VanDerWaalsContact O-N 3.09Å; N312-S315 PolarHBondContact OD1-N 3.37Å; N312-Q316 WeakPolarHBondContact O-CG 3.33Å; N312-Q316 PolarHBondContact O-N 3.29Å
313	P	98.1	Very high	98.4	Very high	88 Å²	88	51.6 Å²	51.6	57%	0.571	25%	0.245	S	C	*	.	H	α-helix	trans	-59.1	-33.7	-178.2	-27	35.3	0	0	0	114.3	K311 Q316 Q317	K311-P313 WeakPolarHBondContact O-CD 3.35Å; P313-Q316 PolarHBondContact O-N 3.41Å; P313-Q317 WeakPolarHBondContact O-CG 3.38Å; P313-Q317 PolarHBondContact O-N 3.49Å
314	K	98.2	Very high	98.4	Very high	78 Å²	78	50.3 Å²	50.3	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-69.8	-40	177.6	-57.2	-170.4	172.7	-176.7	0	111.4	Y288 N312 Q317 L318 W341	Y288-K314 HydrophobicContact CD2-CB 4.24Å; Y288-K314 HydrophobicContact CD2-CD 4.42Å; Y288-K314 HydrophobicContact CD2-CG 4.28Å; Y288-K314 HydrophobicContact CE1-CD 4.49Å; Y288-K314 HydrophobicContact CE1-CG 4.33Å; Y288-K314 HydrophobicContact CE2-CB 3.76Å; Y288-K314 HydrophobicContact CE2-CD 4.3Å; Y288-K314 HydrophobicContact CE2-CG 3.72Å; N312-K314 VanDerWaalsContact C-N 3.27Å; N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CA 3.46Å; N312-K314 VanDerWaalsContact OD1-CB 3.26Å; N312-K314 WeakPolarHBondContact OD1-CB 3.43Å; N312-K314 PolarHBondContact OD1-N 2.96Å; K314-Q317 PolarHBondContact O-N 2.85Å; K314-L318 PolarHBondContact O-N 2.88Å; K314-W341 HydrophobicContact CB-CZ2 4.19Å; K314-W341 HydrophobicContact CD-CD2 3.87Å; K314-W341 HydrophobicContact CD-CE3 4.3Å; K314-W341 HydrophobicContact CD-CG 4.21Å; K314-W341 HydrophobicContact CD-CH2 4.45Å; K314-W341 HydrophobicContact CD-CZ2 4.08Å
315	S	98.2	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-43.5	174.5	-54.9	0	0	0	0	111.3	N312 Q317 L318 I319 M342	N312-S315 WeakPolarHBondContact O-CB 3.26Å; N312-S315 PolarHBondContact O-N 3.36Å; N312-S315 VanDerWaalsContact O-N 3.09Å; N312-S315 PolarHBondContact OD1-N 3.37Å; S315-Q317 PolarHBondContact O-N 3.38Å; S315-L318 PolarHBondContact O-N 2.72Å; S315-I319 WeakPolarHBondContact O-CB 3.49Å; S315-I319 WeakPolarHBondContact O-CG1 3.44Å; S315-I319 PolarHBondContact O-N 3.21Å; S315-M342 PolarHBondContact OG-SD 3.45Å
316	Q	98.3	Very high	98.4	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-39.6	177.2	-69.3	-62.5	-61.3	0	0	112.5	V309 L310 N312 P313 I319 E320	V309-Q316 PolarHBondContact O-NE2 2.86Å; L310-Q316 PolarHBondContact O-NE2 3.17Å; N312-Q316 WeakPolarHBondContact O-CG 3.33Å; N312-Q316 PolarHBondContact O-N 3.29Å; P313-Q316 PolarHBondContact O-N 3.41Å; Q316-I319 WeakPolarHBondContact O-CB 3.36Å; Q316-I319 PolarHBondContact O-N 3.23Å; Q316-E320 PolarHBondContact O-N 2.82Å
317	Q	98.3	Very high	98.3	Very high	90 Å²	90	49 Å²	49	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-38.3	174.8	-74	178.1	17.8	0	0	113	P287 Y288 P313 K314 S315 E320 W321	P287-Q317 HydrophobicContact CB-CB 4.43Å; P287-Q317 HydrophobicContact CG-CB 4.47Å; Y288-Q317 HydrophobicContact CE2-CB 4.35Å; Y288-Q317 PolarHBondContact OH-NE2 3.41Å; Y288-Q317 VanDerWaalsContact OH-NE2 3.08Å; Y288-Q317 PolarHBondContact OH-OE1 3.1Å; P313-Q317 WeakPolarHBondContact O-CG 3.38Å; P313-Q317 PolarHBondContact O-N 3.49Å; K314-Q317 PolarHBondContact O-N 2.85Å; S315-Q317 PolarHBondContact O-N 3.38Å; Q317-E320 PolarHBondContact O-N 3.4Å; Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.96Å
318	L	98.6	Very high	98.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-43.4	173	-179.7	65.1	0	0	0	111.2	P287 L290 M292 K314 S315 E320 W321 V322 L332 T335 L336	P287-L318 HydrophobicContact CG-CB 4.27Å; P287-L318 HydrophobicContact CG-CD1 4.27Å; L290-L318 HydrophobicContact CD2-CD1 4.28Å; L290-L318 HydrophobicContact CD2-CD2 3.77Å; M292-L318 HydrophobicContact SD-CD1 4.49Å; K314-L318 PolarHBondContact O-N 2.88Å; S315-L318 PolarHBondContact O-N 2.72Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 3Å; L318-W321 HydrophobicContact CD1-CE3 4.02Å; L318-W321 PolarHBondContact O-N 2.96Å; L318-W321 VanDerWaalsContact O-N 3.16Å; L318-V322 HydrophobicContact CD1-CG1 4.22Å; L318-V322 HydrophobicContact CG-CG1 4.47Å; L318-V322 WeakPolarHBondContact O-CG1 3.47Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 3.15Å; L318-L332 HydrophobicContact CD2-CD1 3.9Å; L318-L332 HydrophobicContact CG-CD1 3.94Å; L318-T335 HydrophobicContact CD2-CG2 3.9Å; L318-L336 HydrophobicContact CD2-CD2 3.73Å; L318-L336 HydrophobicContact CD2-CG 3.9Å
319	I	98.6	Very high	98.3	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-54.5	-49.1	174.7	-82.5	164.6	0	0	0	110.6	W200 L207 V309 S315 Q316 W321 V322 K323 L332	W200-I319 HydrophobicContact CH2-CB 4.24Å; W200-I319 HydrophobicContact CH2-CG1 4.3Å; W200-I319 HydrophobicContact CH2-CG2 3.47Å; W200-I319 VanDerWaalsContact CH2-CG2 3.47Å; W200-I319 HydrophobicContact CZ2-CG2 3.81Å; W200-I319 HydrophobicContact CZ3-CG2 4.42Å; L207-I319 HydrophobicContact CD1-CD1 4.46Å; L207-I319 HydrophobicContact CD2-CD1 4.43Å; V309-I319 HydrophobicContact CG1-CD1 3.85Å; S315-I319 WeakPolarHBondContact O-CB 3.49Å; S315-I319 WeakPolarHBondContact O-CG1 3.44Å; S315-I319 PolarHBondContact O-N 3.21Å; Q316-I319 WeakPolarHBondContact O-CB 3.36Å; Q316-I319 PolarHBondContact O-N 3.23Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.45Å; I319-V322 WeakPolarHBondContact O-CG2 3.42Å; I319-V322 PolarHBondContact O-N 2.92Å; I319-K323 WeakPolarHBondContact O-CG 2.99Å; I319-L332 HydrophobicContact CG1-CD1 4.14Å; I319-L332 HydrophobicContact CG1-CD2 4.07Å
320	E	98.5	Very high	98.3	Very high	112 Å²	112	45.6 Å²	45.6	52%	0.523	22%	0.218	S	C	.	.	H	α-helix	trans	-61.2	-44.4	177.3	-169.2	59.2	-145.1	0	0	111.3	Q316 Q317 L318 V322 K323	Q316-E320 PolarHBondContact O-N 2.82Å; Q317-E320 PolarHBondContact O-N 3.4Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 3Å; E320-V322 VanDerWaalsContact C-N 3.3Å; E320-V322 PolarHBondContact O-N 2.04Å; E320-K323 PolarHBondContact O-N 3.04Å; E320-K323 IonicContact OE1-NZ 2.66Å; E320-K323 VanDerWaalsContact OE2-CE 3.26Å; E320-K323 WeakPolarHBondContact OE2-CE 3.39Å; E320-K323 IonicContact OE2-NZ 2.7Å; E320-K323 PolarHBondContact OE2-NZ 3.37Å
321	W	98.6	Very high	98.3	Very high	33 Å²	33	43.7 Å²	43.7	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-29.8	-179.6	-179.6	92.1	0	0	0	113.5	W265 K283 D284 P285 P286 P287 M292 Q317 L318 I319 T325	W265-W321 HydrophobicContact CB-CH2 3.77Å; W265-W321 HydrophobicContact CB-CZ3 4.22Å; W265-W321 AromaticContact CD1-CH2 3.94Å; W265-W321 HydrophobicContact CG-CH2 4.08Å; K283-W321 WeakPolarHBondContact CE-O 3.23Å; K283-W321 PolarHBondContact NZ-O 3.45Å; D284-W321 WeakPolarHBondContact O-CZ2 3.42Å; D284-W321 PolarHBondContact O-NE1 3.24Å; P285-W321 PolarHBondContact O-NE1 3.01Å; P286-W321 HydrophobicContact CB-CH2 4.27Å; P286-W321 HydrophobicContact CB-CZ2 4.26Å; P286-W321 HydrophobicContact CB-CZ3 4.47Å; P286-W321 HydrophobicContact CG-CH2 3.73Å; P286-W321 HydrophobicContact CG-CZ2 3.81Å; P286-W321 HydrophobicContact CG-CZ3 4.32Å; P287-W321 HydrophobicContact CG-CB 4.28Å; M292-W321 HydrophobicContact CE-CH2 4.45Å; M292-W321 HydrophobicContact CE-CZ3 3.88Å; M292-W321 HydrophobicContact SD-CH2 4.22Å; M292-W321 HydrophobicContact SD-CZ3 3.82Å; Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.96Å; L318-W321 HydrophobicContact CD1-CE3 4.02Å; L318-W321 PolarHBondContact O-N 2.96Å; L318-W321 VanDerWaalsContact O-N 3.16Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.45Å; W321-T325 HydrophobicContact CZ3-CG2 4.5Å
322	V	98.4	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.5	179.3	-62.1	0	0	0	0	114.5	W200 L318 I319 E320 D324 T325 P328 L332	W200-V322 HydrophobicContact CE3-CG2 4.03Å; W200-V322 HydrophobicContact CZ3-CG2 3.56Å; L318-V322 HydrophobicContact CD1-CG1 4.22Å; L318-V322 HydrophobicContact CG-CG1 4.47Å; L318-V322 WeakPolarHBondContact O-CG1 3.47Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 3.15Å; I319-V322 WeakPolarHBondContact O-CG2 3.42Å; I319-V322 PolarHBondContact O-N 2.92Å; E320-V322 VanDerWaalsContact C-N 3.3Å; E320-V322 PolarHBondContact O-N 2.04Å; V322-D324 PolarHBondContact O-N 3.49Å; V322-T325 PolarHBondContact O-N 2.95Å; V322-T325 PolarHBondContact O-OG1 3.36Å; V322-P328 HydrophobicContact CB-CB 4.08Å; V322-P328 HydrophobicContact CG2-CB 4.24Å; V322-L332 HydrophobicContact CG1-CD1 4.43Å; V322-L332 HydrophobicContact CG2-CB 4.44Å; V322-L332 HydrophobicContact CG2-CD1 3.97Å; V322-L332 HydrophobicContact CG2-CD2 4.29Å; V322-L332 HydrophobicContact CG2-CG 4.46Å
323	K	98.5	Very high	98.3	Very high	78 Å²	78	35.4 Å²	35.4	34%	0.339	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.1	-173.1	-75.3	-172.3	173.9	166.9	0	114.6	W200 I319 E320	W200-K323 HydrophobicContact CB-CB 4.47Å; W200-K323 WeakPolarHBondContact CB-O 3.46Å; W200-K323 HydrophobicContact CD2-CB 4.26Å; W200-K323 HydrophobicContact CD2-CG 3.65Å; W200-K323 HydrophobicContact CE3-CG 4.06Å; W200-K323 HydrophobicContact CG-CB 4.15Å; W200-K323 HydrophobicContact CG-CG 3.9Å; W200-K323 HydrophobicContact CZ2-CG 4.25Å; I319-K323 WeakPolarHBondContact O-CG 2.99Å; E320-K323 PolarHBondContact O-N 3.04Å; E320-K323 IonicContact OE1-NZ 2.66Å; E320-K323 VanDerWaalsContact OE2-CE 3.26Å; E320-K323 WeakPolarHBondContact OE2-CE 3.39Å; E320-K323 IonicContact OE2-NZ 2.7Å; E320-K323 PolarHBondContact OE2-NZ 3.37Å
324	D	97.9	Very high	98.4	Very high	48 Å²	48	31.3 Å²	31.3	26%	0.257	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	31.9	-177.3	56.8	8.2	0	0	0	111.5	H268 F269 K283 V322	H268-D324 CarbonylContact C-O 3.54Å; H268-D324 WeakPolarHBondContact CA-O 3.28Å; H268-D324 IonicContact CE1-OD2 3.6Å; H268-D324 PolarHBondContact CE1-OD2 2.89Å; H268-D324 IonicContact CG-OD2 2.71Å; H268-D324 VanDerWaalsContact ND1-CG 3.31Å; H268-D324 IonicContact ND1-OD1 3.64Å; H268-D324 IonicContact ND1-OD2 2.62Å; H268-D324 PolarHBondContact ND1-OD2 3.26Å; F269-D324 PolarHBondContact N-O 2.83Å; K283-D324 IonicContact NZ-OD1 3.26Å; K283-D324 PolarHBondContact NZ-OD1 3.49Å; K283-D324 IonicContact NZ-OD2 3.7Å; V322-D324 PolarHBondContact O-N 3.49Å
325	T	98.4	Very high	98.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	13%	0.127	C	C	.	.	S	Bend	trans	-103.6	168.7	169.6	69.3	0	0	0	0	111.3	R264 W265 K283 W321 V322 H331	R264-T325 WeakPolarHBondContact O-CB 3.47Å; W265-T325 HydrophobicContact CB-CG2 3.72Å; K283-T325 HydrophobicContact CD-CG2 3.84Å; K283-T325 VanDerWaalsContact CE-CG2 3.46Å; W321-T325 HydrophobicContact CZ3-CG2 4.5Å; V322-T325 PolarHBondContact O-N 2.95Å; V322-T325 PolarHBondContact O-OG1 3.36Å; T325-H331 PolarHBondContact OG1-CE1 2.78Å; T325-H331 PolarHBondContact OG1-NE2 3.44Å
326	Y	98.2	Very high	98.4	Very high	65 Å²	65	27.6 Å²	27.6	26%	0.255	13%	0.127	S	C	.	.	S	Bend	trans	-91	127.7	175.8	-173.2	-82.3	0	0	0	111.6	A198 R264 F269 L276	A198-Y326 HydrophobicContact CB-CD1 4.33Å; A198-Y326 HydrophobicContact CB-CD2 4.11Å; A198-Y326 HydrophobicContact CB-CE1 3.94Å; A198-Y326 HydrophobicContact CB-CE2 3.68Å; A198-Y326 HydrophobicContact CB-CG 4.41Å; R264-Y326 WeakPolarHBondContact CB-O 3.29Å; R264-Y326 HydrophobicContact CG-CD1 3.91Å; R264-Y326 HydrophobicContact CG-CG 4.47Å; R264-Y326 PolarHBondContact O-N 3.3Å; F269-Y326 AromaticContact CD1-CD2 3.89Å; F269-Y326 HydrophobicContact CD1-CD2 3.89Å; F269-Y326 HydrophobicContact CD1-CG 4.41Å; F269-Y326 AromaticContact CE1-CD2 3.61Å; F269-Y326 HydrophobicContact CE1-CD2 3.61Å; F269-Y326 AromaticContact CE1-CG 3.99Å; F269-Y326 HydrophobicContact CE1-CG 3.99Å; F269-Y326 VanDerWaalsContact CZ-CB 3.48Å; F269-Y326 HydrophobicContact CZ-CD2 4.26Å; F269-Y326 HydrophobicContact CZ-CG 4.18Å; L276-Y326 HydrophobicContact CD2-CD2 3.76Å; L276-Y326 HydrophobicContact CD2-CE2 4.44Å; L276-Y326 HydrophobicContact CD2-CG 4.38Å
327	S	98.1	Very high	98.4	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	11%	0.11	C	C	.	.	S	Bend	trans	50	58.8	-175	-66.7	0	0	0	0	112.8	A198 D329 E330	A198-S327 WeakPolarHBondContact CB-OG 3.21Å; A198-S327 WeakPolarHBondContact O-CA 3.34Å; A198-S327 PolarHBondContact O-N 2.91Å; S327-D329 VanDerWaalsContact CA-OD1 3.28Å; S327-D329 WeakPolarHBondContact CA-OD1 3.09Å; S327-D329 PolarHBondContact O-N 2.98Å; S327-D329 VanDerWaalsContact O-N 3.15Å; S327-E330 PolarHBondContact O-N 3.37Å
328	P	98.4	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.5	-179.7	23.9	-31.9	0	0	0	113.8	A198 W200 V203 V322 E330 H331 L332	A198-P328 WeakPolarHBondContact O-CD 3.44Å; W200-P328 HydrophobicContact CB-CG 4.44Å; W200-P328 HydrophobicContact CE3-CB 4.38Å; W200-P328 HydrophobicContact CE3-CG 4.23Å; V203-P328 HydrophobicContact CG2-CB 4.19Å; V203-P328 HydrophobicContact CG2-CG 4.04Å; V322-P328 HydrophobicContact CB-CB 4.08Å; V322-P328 HydrophobicContact CG2-CB 4.24Å; P328-E330 PolarHBondContact O-N 3.18Å; P328-H331 WeakPolarHBondContact CA-CE1 3.45Å; P328-H331 PolarHBondContact O-N 3.07Å; P328-H331 PolarHBondContact O-ND1 3.43Å; P328-L332 WeakPolarHBondContact O-CB 3.48Å; P328-L332 PolarHBondContact O-N 3.5Å
329	D	98.1	Very high	98.3	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.5	171.5	54.9	-42.1	0	0	0	113.5	R202 V203 N296 A297 S327	R202-D329 HydrophobicContact CG-CB 4.33Å; V203-D329 HydrophobicContact CG2-CB 3.68Å; N296-D329 CarbonylContact C-O 3.52Å; A297-D329 HydrophobicContact CB-CB 3.86Å; A297-D329 WeakPolarHBondContact CB-OD2 3.36Å; S327-D329 VanDerWaalsContact CA-OD1 3.28Å; S327-D329 WeakPolarHBondContact CA-OD1 3.09Å; S327-D329 PolarHBondContact O-N 2.98Å; S327-D329 VanDerWaalsContact O-N 3.15Å
330	E	98.1	Very high	98.2	Very high	38 Å²	38	29 Å²	29	18%	0.178	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-89	3.4	177.3	-69.5	-170.5	-152.3	0	0	114.1	K261 R264 T294 G295 S327 P328	K261-E330 IonicContact NZ-OE2 2.71Å; K261-E330 PolarHBondContact NZ-OE2 3.01Å; R264-E330 IonicContact CZ-OE2 2.72Å; R264-E330 VanDerWaalsContact NH1-CD 3.28Å; R264-E330 IonicContact NH1-OE1 3.7Å; R264-E330 IonicContact NH1-OE2 3.84Å; R264-E330 PolarHBondContact NH1-OE2 3.28Å; R264-E330 IonicContact NH2-OE2 3.43Å; T294-E330 CarbonylContact C-O 3.54Å; T294-E330 WeakPolarHBondContact CA-O 3.41Å; G295-E330 PolarHBondContact N-O 3.45Å; G295-E330 WeakPolarHBondContact O-CA 3.29Å; G295-E330 WeakPolarHBondContact O-CB 3.44Å; S327-E330 PolarHBondContact O-N 3.37Å; P328-E330 PolarHBondContact O-N 3.18Å
331	H	98.3	Very high	98.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.7	-23.4	177.6	61.2	56.4	0	0	0	115.1	W265 M292 F293 T325 P328 T335	W265-H331 HydrophobicContact CE3-CB 4.4Å; W265-H331 AromaticContact CE3-CD2 3.45Å; W265-H331 VanDerWaalsContact CE3-CD2 3.45Å; W265-H331 HydrophobicContact CZ3-CB 4.25Å; W265-H331 AromaticContact CZ3-CD2 3.95Å; M292-H331 HydrophobicContact CE-CB 4.02Å; F293-H331 VanDerWaalsContact O-CA 3.31Å; F293-H331 WeakPolarHBondContact O-CA 3.41Å; F293-H331 VanDerWaalsContact O-CB 3.3Å; F293-H331 WeakPolarHBondContact O-CB 2.72Å; T325-H331 PolarHBondContact OG1-CE1 2.78Å; T325-H331 PolarHBondContact OG1-NE2 3.44Å; P328-H331 WeakPolarHBondContact CA-CE1 3.45Å; P328-H331 PolarHBondContact O-N 3.07Å; P328-H331 PolarHBondContact O-ND1 3.43Å; H331-T335 WeakPolarHBondContact O-CB 3.39Å; H331-T335 PolarHBondContact O-N 3.38Å; H331-T335 PolarHBondContact O-OG1 3.28Å
332	L	98.7	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-53.7	178.8	174.9	63.6	0	0	0	111.1	W200 V203 L318 I319 V322 P328 T335 L336	W200-L332 HydrophobicContact CH2-CD2 4.39Å; W200-L332 HydrophobicContact CZ3-CD2 4.08Å; V203-L332 HydrophobicContact CG1-CD2 3.56Å; L318-L332 HydrophobicContact CD2-CD1 3.9Å; L318-L332 HydrophobicContact CG-CD1 3.94Å; I319-L332 HydrophobicContact CG1-CD1 4.14Å; I319-L332 HydrophobicContact CG1-CD2 4.07Å; V322-L332 HydrophobicContact CG1-CD1 4.43Å; V322-L332 HydrophobicContact CG2-CB 4.44Å; V322-L332 HydrophobicContact CG2-CD1 3.97Å; V322-L332 HydrophobicContact CG2-CD2 4.29Å; V322-L332 HydrophobicContact CG2-CG 4.46Å; P328-L332 WeakPolarHBondContact O-CB 3.48Å; P328-L332 PolarHBondContact O-N 3.5Å; L332-T335 PolarHBondContact O-N 3.35Å; L332-L336 HydrophobicContact CD1-CD1 3.77Å; L332-L336 HydrophobicContact CD1-CG 4.14Å; L332-L336 HydrophobicContact CG-CD1 3.97Å; L332-L336 WeakPolarHBondContact O-CG 3.44Å; L332-L336 PolarHBondContact O-N 3.25Å
333	W	98.7	Very high	98.1	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-47.5	-176.8	-52.5	132.7	0	0	0	111.8	V203 L207 M210 M252 I299 V309 T335 L336 Q337	V203-W333 HydrophobicContact CG1-CH2 4.06Å; V203-W333 HydrophobicContact CG1-CZ2 3.8Å; L207-W333 HydrophobicContact CD2-CH2 3.82Å; L207-W333 HydrophobicContact CD2-CZ3 4.44Å; L207-W333 HydrophobicContact CG-CH2 4.22Å; M210-W333 HydrophobicContact CE-CH2 3.82Å; M210-W333 HydrophobicContact CE-CZ2 4.18Å; M210-W333 HydrophobicContact CE-CZ3 4.26Å; M210-W333 HydrophobicContact SD-CH2 4.25Å; M252-W333 HydrophobicContact SD-CB 3.87Å; I299-W333 HydrophobicContact CD1-CD2 4.16Å; I299-W333 HydrophobicContact CD1-CE3 4.36Å; I299-W333 HydrophobicContact CD1-CG 4.4Å; I299-W333 HydrophobicContact CG2-CB 3.67Å; I299-W333 HydrophobicContact CG2-CG 3.71Å; V309-W333 HydrophobicContact CG1-CZ3 4Å; V309-W333 HydrophobicContact CG2-CZ3 4.44Å; W333-T335 PolarHBondContact O-N 3.04Å; W333-L336 HydrophobicContact CE3-CD1 4.22Å; W333-L336 HydrophobicContact CZ3-CD1 4.35Å; W333-L336 PolarHBondContact O-N 2.99Å; W333-Q337 WeakPolarHBondContact O-CB 3.24Å; W333-Q337 PolarHBondContact O-N 3.25Å
334	A	98.6	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-56.6	-39.3	176.5	0	0	0	0	0	112	E253 T254 F293 T294 R338	E253-A334 WeakPolarHBondContact O-CB 3.32Å; T254-A334 PolarHBondContact OG1-O 3.41Å; F293-A334 HydrophobicContact CB-CB 4.03Å; T294-A334 VanDerWaalsContact C-CB 3.41Å; A334-R338 WeakPolarHBondContact O-CG 3.35Å
335	T	98.6	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-73.3	-44.6	178.9	-61.4	0	0	0	0	111.8	L290 M292 F293 L318 H331 L332 W333 Q337 R338 A339	L290-T335 HydrophobicContact CD2-CG2 3.41Å; L290-T335 VanDerWaalsContact CD2-CG2 3.41Å; L290-T335 HydrophobicContact CG-CG2 3.79Å; M292-T335 HydrophobicContact SD-CG2 3.94Å; F293-T335 PolarHBondContact N-OG1 2.92Å; F293-T335 PolarHBondContact O-OG1 3.25Å; L318-T335 HydrophobicContact CD2-CG2 3.9Å; H331-T335 WeakPolarHBondContact O-CB 3.39Å; H331-T335 PolarHBondContact O-N 3.38Å; H331-T335 PolarHBondContact O-OG1 3.28Å; L332-T335 PolarHBondContact O-N 3.35Å; W333-T335 PolarHBondContact O-N 3.04Å; T335-Q337 PolarHBondContact O-N 3.02Å; T335-R338 PolarHBondContact O-N 3.5Å; T335-A339 PolarHBondContact O-N 3.41Å
336	L	98.6	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-33.8	174.8	-73.4	171.8	0	0	0	112	F305 V309 L318 L332 W333 R338 A339 M342	F305-L336 HydrophobicContact CE2-CB 4.22Å; F305-L336 HydrophobicContact CZ-CB 3.87Å; V309-L336 HydrophobicContact CG2-CD1 4.15Å; L318-L336 HydrophobicContact CD2-CD2 3.73Å; L318-L336 HydrophobicContact CD2-CG 3.9Å; L332-L336 HydrophobicContact CD1-CD1 3.77Å; L332-L336 HydrophobicContact CD1-CG 4.14Å; L332-L336 HydrophobicContact CG-CD1 3.97Å; L332-L336 WeakPolarHBondContact O-CG 3.44Å; L332-L336 PolarHBondContact O-N 3.25Å; W333-L336 HydrophobicContact CE3-CD1 4.22Å; W333-L336 HydrophobicContact CZ3-CD1 4.35Å; W333-L336 PolarHBondContact O-N 2.99Å; L336-R338 PolarHBondContact O-N 3.31Å; L336-A339 WeakPolarHBondContact O-CB 3.42Å; L336-A339 PolarHBondContact O-N 3.39Å; L336-M342 HydrophobicContact CB-CG 4.45Å; L336-M342 HydrophobicContact CD2-CG 4.27Å; L336-M342 HydrophobicContact CD2-SD 4.26Å; L336-M342 WeakPolarHBondContact O-CB 3.24Å; L336-M342 VanDerWaalsContact O-CG 3.3Å; L336-M342 WeakPolarHBondContact O-CG 3.32Å
337	Q	98.6	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.5	175.7	-178.4	54.6	18.9	0	0	113.5	N250 M252 T254 W333 T335 G344 S345 V346	N250-Q337 PolarHBondContact ND2-OE1 3.43Å; M252-Q337 HydrophobicContact CE-CB 4.49Å; M252-Q337 HydrophobicContact CG-CB 4.08Å; M252-Q337 HydrophobicContact CG-CG 3.94Å; M252-Q337 HydrophobicContact SD-CB 3.79Å; M252-Q337 HydrophobicContact SD-CG 4.21Å; T254-Q337 HydrophobicContact CG2-CB 4.43Å; T254-Q337 HydrophobicContact CG2-CG 3.83Å; W333-Q337 WeakPolarHBondContact O-CB 3.24Å; W333-Q337 PolarHBondContact O-N 3.25Å; T335-Q337 PolarHBondContact O-N 3.02Å; Q337-G344 PolarHBondContact NE2-O 3.2Å; Q337-S345 CarbonylContact O-C 3.58Å; Q337-S345 WeakPolarHBondContact O-CA 3.46Å; Q337-S345 WeakPolarHBondContact O-CB 3.22Å; Q337-V346 HydrophobicContact CG-CG2 4.41Å; Q337-V346 PolarHBondContact O-N 3.43Å
338	R	98	Very high	97.6	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-2.1	177.3	-52.3	-60.4	-84.5	-84.9	0.5	113.6	T254 F293 A334 T335 L336 R340 V346 P347 H349 D353	T254-R338 PolarHBondContact O-NH1 2.93Å; T254-R338 WeakPolarHBondContact OG1-CD 3.46Å; T254-R338 WeakPolarHBondContact OG1-CG 3.32Å; T254-R338 PolarHBondContact OG1-NH1 2.71Å; F293-R338 HydrophobicContact CB-CG 4.38Å; F293-R338 HydrophobicContact CD1-CG 3.96Å; F293-R338 HydrophobicContact CD2-CB 3.65Å; F293-R338 HydrophobicContact CD2-CG 3.51Å; F293-R338 HydrophobicContact CE1-CG 4.1Å; F293-R338 VanDerWaalsContact CE1-CZ 3.4Å; F293-R338 VanDerWaalsContact CE1-NH1 3.28Å; F293-R338 HydrophobicContact CE2-CB 3.51Å; F293-R338 HydrophobicContact CE2-CG 3.63Å; F293-R338 HydrophobicContact CG-CB 4.35Å; F293-R338 HydrophobicContact CG-CG 3.68Å; F293-R338 HydrophobicContact CZ-CB 4.11Å; F293-R338 HydrophobicContact CZ-CG 3.93Å; A334-R338 WeakPolarHBondContact O-CG 3.35Å; T335-R338 PolarHBondContact O-N 3.5Å; L336-R338 PolarHBondContact O-N 3.31Å; R338-R340 PolarHBondContact O-N 2.76Å; R338-V346 WeakPolarHBondContact CA-O 3.23Å; R338-V346 VanDerWaalsContact CD-CG2 3.4Å; R338-P347 PolarHBondContact NE-O 2.87Å; R338-P347 PolarHBondContact NH2-O 3.42Å; R338-H349 PolarHBondContact NH2-O 2.57Å; R338-D353 IonicContact CZ-OD1 2.88Å; R338-D353 VanDerWaalsContact CZ-OD1 3.28Å; R338-D353 IonicContact NH1-OD1 2.79Å; R338-D353 PolarHBondContact NH1-OD1 3.06Å; R338-D353 IonicContact NH2-OD1 2.69Å; R338-D353 PolarHBondContact NH2-OD1 2.97Å
339	A	97.3	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.			trans	-80.2	115.7	177.9	0	0	0	0	0	110.4	L290 T335 L336 W341 M342 S345	L290-A339 HydrophobicContact CD1-CB 4.43Å; T335-A339 PolarHBondContact O-N 3.41Å; L336-A339 WeakPolarHBondContact O-CB 3.42Å; L336-A339 PolarHBondContact O-N 3.39Å; A339-W341 HydrophobicContact CB-CD2 4.03Å; A339-W341 HydrophobicContact CB-CE3 4.45Å; A339-W341 HydrophobicContact CB-CH2 4.22Å; A339-W341 HydrophobicContact CB-CZ2 3.72Å; A339-W341 PolarHBondContact O-N 3.24Å; A339-M342 HydrophobicContact CB-CG 3.87Å; A339-M342 WeakPolarHBondContact O-CB 3.43Å; A339-M342 PolarHBondContact O-N 3.33Å; A339-S345 VanDerWaalsContact O-CB 3.29Å; A339-S345 WeakPolarHBondContact O-CB 3.49Å; A339-S345 PolarHBondContact O-OG 3.12Å
340	R	95.7	Very high	97.4	Very high	203 Å²	203	34.5 Å²	34.5	77%	0.766	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.3	-174.4	-68.4	-177.7	178.4	141.8	0.7	115.2	R338 M342	R338-R340 PolarHBondContact O-N 2.76Å; R340-M342 VanDerWaalsContact C-N 3.35Å
341	W	96	Very high	97.4	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.288	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.3	177.5	54.6	87.4	0	0	0	113.7	L290 K314 A339	L290-W341 HydrophobicContact CD1-CH2 3.77Å; L290-W341 HydrophobicContact CD1-CZ2 4.22Å; L290-W341 HydrophobicContact CD2-CZ2 4.34Å; K314-W341 HydrophobicContact CB-CZ2 4.19Å; K314-W341 HydrophobicContact CD-CD2 3.87Å; K314-W341 HydrophobicContact CD-CE3 4.3Å; K314-W341 HydrophobicContact CD-CG 4.21Å; K314-W341 HydrophobicContact CD-CH2 4.45Å; K314-W341 HydrophobicContact CD-CZ2 4.08Å; A339-W341 HydrophobicContact CB-CD2 4.03Å; A339-W341 HydrophobicContact CB-CE3 4.45Å; A339-W341 HydrophobicContact CB-CH2 4.22Å; A339-W341 HydrophobicContact CB-CZ2 3.72Å; A339-W341 PolarHBondContact O-N 3.24Å
342	M	98.1	Very high	97.3	Very high	5 Å²	5	47 Å²	47	3%	0.025	23%	0.227	C	C	.	.	S	Bend	trans	-91.8	133.2	178.1	-68.7	-61.4	-66.6	0	0	111	F305 H308 V309 S315 L336 A339 R340 G344 S345	F305-M342 HydrophobicContact CD1-CE 4.44Å; F305-M342 HydrophobicContact CD2-CB 4.2Å; F305-M342 HydrophobicContact CD2-CE 3.53Å; F305-M342 HydrophobicContact CE1-CE 4.38Å; F305-M342 HydrophobicContact CE2-CB 4.12Å; F305-M342 HydrophobicContact CE2-CE 3.47Å; F305-M342 VanDerWaalsContact CE2-CE 3.47Å; F305-M342 HydrophobicContact CE2-CG 4.46Å; F305-M342 HydrophobicContact CG-CE 4.07Å; F305-M342 HydrophobicContact CZ-CE 3.93Å; H308-M342 HydrophobicContact CB-CE 3.95Å; H308-M342 HydrophobicContact CB-SD 4.02Å; V309-M342 HydrophobicContact CG2-CE 3.64Å; S315-M342 PolarHBondContact OG-SD 3.45Å; L336-M342 HydrophobicContact CB-CG 4.45Å; L336-M342 HydrophobicContact CD2-CG 4.27Å; L336-M342 HydrophobicContact CD2-SD 4.26Å; L336-M342 WeakPolarHBondContact O-CB 3.24Å; L336-M342 VanDerWaalsContact O-CG 3.3Å; L336-M342 WeakPolarHBondContact O-CG 3.32Å; A339-M342 HydrophobicContact CB-CG 3.87Å; A339-M342 WeakPolarHBondContact O-CB 3.43Å; A339-M342 PolarHBondContact O-N 3.33Å; R340-M342 VanDerWaalsContact C-N 3.35Å; M342-G344 PolarHBondContact O-N 3.36Å; M342-S345 WeakPolarHBondContact O-CB 3.45Å; M342-S345 PolarHBondContact O-N 3.22Å; M342-S345 PolarHBondContact O-OG 3.31Å
343	P	98.4	Very high	97.3	Very high	29 Å²	29	49.1 Å²	49.1	19%	0.188	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.9	174	-24	33.6	0	0	0	112.2	N250 D304 F305 H308 S345	N250-P343 PolarHBondContact ND2-O 2.78Å; D304-P343 HydrophobicContact CB-CB 3.83Å; D304-P343 HydrophobicContact CB-CG 4.05Å; F305-P343 WeakPolarHBondContact CD2-O 3.28Å; H308-P343 HydrophobicContact CB-CG 4.11Å; H308-P343 VanDerWaalsContact CG-CD 3.44Å; H308-P343 VanDerWaalsContact ND1-CG 3.3Å; H308-P343 WeakPolarHBondContact ND1-CG 3.48Å; P343-S345 PolarHBondContact O-N 3.08Å
344	G	97.2	Very high	97.3	Very high	22 Å²	22	50.5 Å²	50.5	23%	0.227	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	10.8	179.9	0	0	0	0	0	114.9	N250 Q337 M342	N250-G344 PolarHBondContact ND2-O 3.19Å; Q337-G344 PolarHBondContact NE2-O 3.2Å; M342-G344 PolarHBondContact O-N 3.36Å
345	S	97.1	Very high	97.3	Very high	34 Å²	34	51.8 Å²	51.8	24%	0.238	26%	0.255	C	S	.	.			trans	-65.3	157.2	173.9	59	0	0	0	0	112.1	Q337 A339 M342 P343	Q337-S345 CarbonylContact O-C 3.58Å; Q337-S345 WeakPolarHBondContact O-CA 3.46Å; Q337-S345 WeakPolarHBondContact O-CB 3.22Å; A339-S345 VanDerWaalsContact O-CB 3.29Å; A339-S345 WeakPolarHBondContact O-CB 3.49Å; A339-S345 PolarHBondContact O-OG 3.12Å; M342-S345 WeakPolarHBondContact O-CB 3.45Å; M342-S345 PolarHBondContact O-N 3.22Å; M342-S345 PolarHBondContact O-OG 3.31Å; P343-S345 PolarHBondContact O-N 3.08Å
346	V	96.8	Very high	97.2	Very high	23 Å²	23	53 Å²	53	14%	0.139	26%	0.262	C	S	.	.			trans	-112.4	154.1	172.3	-61.4	0	0	0	0	110.4	Q337 R338 Y352	Q337-V346 HydrophobicContact CG-CG2 4.41Å; Q337-V346 PolarHBondContact O-N 3.43Å; R338-V346 WeakPolarHBondContact CA-O 3.23Å; R338-V346 VanDerWaalsContact CD-CG2 3.4Å; V346-Y352 HydrophobicContact CB-CD1 4.28Å; V346-Y352 HydrophobicContact CB-CG 4.47Å
347	P	96.5	Very high	97.2	Very high	55 Å²	55	55 Å²	55	36%	0.357	27%	0.271	S	S	.	.			trans	-57.4	145.2	-176.9	-27.5	35.7	0	0	0	114.2	R338 H349 Y352	R338-P347 PolarHBondContact NE-O 2.87Å; R338-P347 PolarHBondContact NH2-O 3.42Å; P347-H349 PolarHBondContact O-N 3.4Å; P347-Y352 HydrophobicContact CB-CD2 3.71Å; P347-Y352 HydrophobicContact CB-CE2 3.68Å; P347-Y352 HydrophobicContact CB-CG 4.3Å; P347-Y352 HydrophobicContact CG-CD1 4.34Å; P347-Y352 HydrophobicContact CG-CD2 3.96Å; P347-Y352 HydrophobicContact CG-CE1 4.02Å; P347-Y352 HydrophobicContact CG-CE2 3.63Å; P347-Y352 HydrophobicContact CG-CG 4.28Å
348	N	94.3	Very high	97.1	Very high	63 Å²	63	59.1 Å²	59.1	34%	0.337	30%	0.297	S	S	.	.	S	Bend	trans	-70.5	76.9	167.4	179.9	-2.2	0	0	0	109.9	T291 F293	T291-N348 WeakPolarHBondContact CB-ND2 3.41Å; T291-N348 PolarHBondContact OG1-ND2 3.18Å; F293-N348 HydrophobicContact CZ-CB 4.49Å; F293-N348 VanDerWaalsContact CZ-OD1 3.24Å; F293-N348 WeakPolarHBondContact CZ-OD1 3.36Å
349	H	95.8	Very high	97.1	Very high	92 Å²	92	59 Å²	59	43%	0.426	30%	0.296	S	S	.	.	S	Bend	trans	-155.4	136.4	172.9	-175.9	-77.3	0	0	0	109.1	R338 P347 K351 Y352	R338-H349 PolarHBondContact NH2-O 2.57Å; P347-H349 PolarHBondContact O-N 3.4Å; H349-K351 WeakPolarHBondContact ND1-CB 3.41Å; H349-K351 PolarHBondContact ND1-N 3.34Å; H349-K351 VanDerWaalsContact ND1-N 3.16Å; H349-K351 PolarHBondContact O-N 2.91Å; H349-Y352 HydrophobicContact CB-CD2 4.1Å; H349-Y352 PolarHBondContact O-N 3.37Å
350	P	96.2	Very high	97.2	Very high	76 Å²	76	60.2 Å²	60.2	49%	0.494	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-56.8	-24.3	-173.3	-28	35	0	0	0	115.7	V256 Y352 D353	V256-P350 HydrophobicContact CG2-CB 4.33Å; V256-P350 HydrophobicContact CG2-CG 4.03Å; P350-Y352 PolarHBondContact O-N 2.91Å; P350-Y352 VanDerWaalsContact O-N 3.08Å; P350-D353 VanDerWaalsContact O-CB 3.22Å; P350-D353 WeakPolarHBondContact O-CB 3.27Å; P350-D353 VanDerWaalsContact O-CG 3.26Å; P350-D353 PolarHBondContact O-N 3.36Å
351	K	97.3	Very high	97.3	Very high	185 Å²	185	50.6 Å²	50.6	80%	0.804	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.2	-16.9	170.4	-75.3	-179.5	175.7	-169.3	0	114.8	H349	H349-K351 WeakPolarHBondContact ND1-CB 3.41Å; H349-K351 PolarHBondContact ND1-N 3.34Å; H349-K351 VanDerWaalsContact ND1-N 3.16Å; H349-K351 PolarHBondContact O-N 2.91Å
352	Y	97.8	Very high	97.4	Very high	116 Å²	116	47.2 Å²	47.2	46%	0.455	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-107.3	16.1	175.9	-62.5	-87.6	0	0	0	111.8	V346 P347 H349 P350	V346-Y352 HydrophobicContact CB-CD1 4.28Å; V346-Y352 HydrophobicContact CB-CG 4.47Å; P347-Y352 HydrophobicContact CB-CD2 3.71Å; P347-Y352 HydrophobicContact CB-CE2 3.68Å; P347-Y352 HydrophobicContact CB-CG 4.3Å; P347-Y352 HydrophobicContact CG-CD1 4.34Å; P347-Y352 HydrophobicContact CG-CD2 3.96Å; P347-Y352 HydrophobicContact CG-CE1 4.02Å; P347-Y352 HydrophobicContact CG-CE2 3.63Å; P347-Y352 HydrophobicContact CG-CG 4.28Å; H349-Y352 HydrophobicContact CB-CD2 4.1Å; H349-Y352 PolarHBondContact O-N 3.37Å; P350-Y352 PolarHBondContact O-N 2.91Å; P350-Y352 VanDerWaalsContact O-N 3.08Å
353	D	98.3	Very high	97.4	Very high	46 Å²	46	47 Å²	47	25%	0.246	25%	0.253	C	S	.	.			trans	-65.3	136.4	169.9	-72.4	1.9	0	0	0	109.2	T254 E255 V256 R338 P350	T254-D353 VanDerWaalsContact O-CA 3.3Å; T254-D353 WeakPolarHBondContact O-CA 3.35Å; E255-D353 HydrophobicContact CB-CB 4.5Å; E255-D353 HydrophobicContact CG-CB 4.25Å; V256-D353 WeakPolarHBondContact CG2-OD2 3.3Å; V256-D353 PolarHBondContact N-OD2 2.96Å; R338-D353 IonicContact CZ-OD1 2.88Å; R338-D353 VanDerWaalsContact CZ-OD1 3.28Å; R338-D353 IonicContact NH1-OD1 2.79Å; R338-D353 PolarHBondContact NH1-OD1 3.06Å; R338-D353 IonicContact NH2-OD1 2.69Å; R338-D353 PolarHBondContact NH2-OD1 2.97Å; P350-D353 VanDerWaalsContact O-CB 3.22Å; P350-D353 WeakPolarHBondContact O-CB 3.27Å; P350-D353 VanDerWaalsContact O-CG 3.26Å; P350-D353 PolarHBondContact O-N 3.36Å
354	I	98.4	Very high	97.4	Very high	29 Å²	29	46 Å²	46	15%	0.149	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-125.2	109.5	-178.2	-58.6	173.3	0	0	0	105.9	E253 T254 E255 T358	E253-I354 CarbonylContact C-O 3.59Å; E253-I354 VanDerWaalsContact CA-O 3.29Å; E253-I354 WeakPolarHBondContact CA-O 3.4Å; T254-I354 HydrophobicContact CG2-CB 4.14Å; T254-I354 HydrophobicContact CG2-CD1 4.22Å; T254-I354 HydrophobicContact CG2-CG1 4.3Å; T254-I354 PolarHBondContact N-O 2.82Å; T254-I354 PolarHBondContact O-N 3.44Å; E255-I354 WeakPolarHBondContact CG-O 3.34Å; I354-T358 HydrophobicContact CG2-CG2 4.16Å
355	S	98.2	Very high	97.5	Very high	28 Å²	28	45.1 Å²	45.1	20%	0.196	24%	0.236	C	C	.	.			trans	-72.2	167.2	174.2	65.5	0	0	0	0	111.9	M357 T358 S359	S355-M357 PolarHBondContact O-N 2.83Å; S355-T358 PolarHBondContact O-N 3.5Å; S355-T358 PolarHBondContact OG-N 2.87Å; S355-T358 PolarHBondContact OG-OG1 2.83Å; S355-S359 PolarHBondContact O-N 3.43Å
356	D	97.6	Very high	97.5	Very high	27 Å²	27	48.1 Å²	48.1	14%	0.144	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39	171.6	64.5	-21.5	0	0	0	112.6	E253 T358 H406	E253-D356 HydrophobicContact CG-CB 4.48Å; D356-T358 VanDerWaalsContact C-N 3.34Å; D356-H406 PolarHBondContact O-NE2 3.38Å
357	M	97.8	Very high	97.5	Very high	41 Å²	41	51.5 Å²	51.5	20%	0.202	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.7	177.1	-66.9	-54.8	-61.6	0	0	113.4	S355 L363 Y379 W400 H405 H406	S355-M357 PolarHBondContact O-N 2.83Å; M357-L363 HydrophobicContact CE-CD1 3.95Å; M357-L363 HydrophobicContact SD-CD1 3.97Å; M357-Y379 HydrophobicContact CE-CD1 4.38Å; M357-Y379 HydrophobicContact SD-CD1 3.96Å; M357-Y379 HydrophobicContact SD-CE1 3.92Å; M357-W400 HydrophobicContact CE-CZ2 4.18Å; M357-H405 PolarHBondContact O-CE1 3.01Å; M357-H405 PolarHBondContact O-NE2 3.48Å; M357-H405 VanDerWaalsContact O-NE2 3.14Å; M357-H406 PolarHBondContact O-CE1 3Å
358	T	97.7	Very high	97.5	Very high	87 Å²	87	55.8 Å²	55.8	53%	0.534	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-37.5	179.3	-53.7	0	0	0	0	112.1	I354 S355 D356 H405	I354-T358 HydrophobicContact CG2-CG2 4.16Å; S355-T358 PolarHBondContact O-N 3.5Å; S355-T358 PolarHBondContact OG-N 2.87Å; S355-T358 PolarHBondContact OG-OG1 2.83Å; D356-T358 VanDerWaalsContact C-N 3.34Å; T358-H405 PolarHBondContact O-NE2 3.39Å
359	S	97.9	Very high	97.6	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.285	C	S	.	.	S	Bend	trans	-59.2	148.5	172.3	175.9	0	0	0	0	110.9	M252 S355 A361 H405 H406	M252-S359 WeakPolarHBondContact CA-OG 3.49Å; M252-S359 PolarHBondContact N-OG 2.78Å; S355-S359 PolarHBondContact O-N 3.43Å; S359-A361 WeakPolarHBondContact OG-CB 3.4Å; S359-A361 PolarHBondContact OG-N 3.23Å; S359-H405 PolarHBondContact O-NE2 3.32Å; S359-H405 VanDerWaalsContact O-NE2 3.14Å; S359-H406 PolarHBondContact O-CD2 2.82Å; S359-H406 PolarHBondContact O-NE2 3.39Å; S359-H406 VanDerWaalsContact O-NE2 3.07Å
360	I	98.4	Very high	97.7	Very high	26 Å²	26	55.2 Å²	55.2	13%	0.133	27%	0.272	C	S	.	.	S	Bend	trans	-88.8	-7.3	174	75.2	178.6	0	0	0	112.5	A242 L246 S251 V300 H406 L407	A242-I360 HydrophobicContact CB-CD1 4.41Å; L246-I360 HydrophobicContact CD1-CD1 4.04Å; L246-I360 HydrophobicContact CD2-CD1 4.41Å; L246-I360 HydrophobicContact CG-CD1 4.4Å; S251-I360 PolarHBondContact OG-N 2.88Å; V300-I360 HydrophobicContact CG2-CG1 4.19Å; I360-H406 CarbonylContact O-C 3.54Å; I360-H406 VanDerWaalsContact O-CA 3.32Å; I360-H406 WeakPolarHBondContact O-CA 3.43Å; I360-L407 HydrophobicContact CB-CG 4.34Å; I360-L407 HydrophobicContact CD1-CD1 3.95Å; I360-L407 HydrophobicContact CD1-CD2 4.23Å; I360-L407 HydrophobicContact CD1-CG 4.07Å; I360-L407 HydrophobicContact CG1-CD1 4.17Å; I360-L407 HydrophobicContact CG1-CG 4.05Å; I360-L407 PolarHBondContact O-N 2.9Å
361	A	98	Very high	97.8	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	26%	0.259	C	S	.	.	S	Bend	trans	-65.9	-50.5	-166.5	0	0	0	0	0	113.6	V300 S359	V300-A361 HydrophobicContact CG2-CB 3.93Å; S359-A361 WeakPolarHBondContact OG-CB 3.4Å; S359-A361 PolarHBondContact OG-N 3.23Å
362	R	98.4	Very high	97.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	128.3	-174.9	-162	72.2	62.2	-172.5	-11.5	112.5	N225 D230 Y298 V364 H406 L408 N410	N225-R362 PolarHBondContact O-NH2 3.37Å; D230-R362 IonicContact OD1-CZ 3.75Å; D230-R362 IonicContact OD1-NE 3.38Å; D230-R362 IonicContact OD1-NH1 2.68Å; D230-R362 PolarHBondContact OD1-NH1 3.1Å; D230-R362 IonicContact OD2-CZ 3.4Å; D230-R362 IonicContact OD2-NE 3.96Å; D230-R362 IonicContact OD2-NH1 3.12Å; D230-R362 PolarHBondContact OD2-NH1 2.9Å; D230-R362 IonicContact OD2-NH2 3.36Å; D230-R362 PolarHBondContact OD2-NH2 3.41Å; Y298-R362 VanDerWaalsContact CD1-NH2 3.31Å; Y298-R362 HydrophobicContact CD2-CB 4.05Å; Y298-R362 HydrophobicContact CD2-CG 3.89Å; Y298-R362 HydrophobicContact CE2-CG 4.32Å; Y298-R362 HydrophobicContact CG-CB 4.36Å; Y298-R362 HydrophobicContact CG-CG 4.4Å; R362-V364 HydrophobicContact CB-CG2 4.34Å; R362-V364 HydrophobicContact CG-CG2 3.62Å; R362-H406 PolarHBondContact O-CD2 3.08Å; R362-H406 VanDerWaalsContact O-CD2 3.23Å; R362-L408 CarbonylContact C-O 3.54Å; R362-L408 WeakPolarHBondContact CA-O 3.27Å; R362-N410 HydrophobicContact CG-CB 3.98Å
363	L	98.5	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.5	165.4	-172.5	67.5	0	0	0	109.8	L233 M357 Y393 W400 M401 N404 H406 L408 A409 N410	L233-L363 HydrophobicContact CD1-CB 4.22Å; L233-L363 HydrophobicContact CD1-CD2 3.87Å; M357-L363 HydrophobicContact CE-CD1 3.95Å; M357-L363 HydrophobicContact SD-CD1 3.97Å; L363-Y393 PolarHBondContact O-OH 3.21Å; L363-W400 HydrophobicContact CD1-CH2 3.56Å; L363-W400 HydrophobicContact CD1-CZ2 4.04Å; L363-W400 HydrophobicContact CD1-CZ3 4.28Å; L363-W400 HydrophobicContact CD2-CE3 4.32Å; L363-W400 HydrophobicContact CD2-CH2 3.78Å; L363-W400 HydrophobicContact CD2-CZ3 3.62Å; L363-W400 HydrophobicContact CG-CH2 3.81Å; L363-W400 HydrophobicContact CG-CZ3 4.05Å; L363-M401 HydrophobicContact CD2-CB 4.15Å; L363-M401 HydrophobicContact CD2-CG 4.03Å; L363-N404 HydrophobicContact CD1-CB 4.2Å; L363-N404 HydrophobicContact CD2-CB 3.94Å; L363-H406 HydrophobicContact CB-CB 3.82Å; L363-H406 PolarHBondContact N-CD2 3.26Å; L363-L408 PolarHBondContact N-O 2.91Å; L363-A409 HydrophobicContact CB-CB 4.02Å; L363-A409 CarbonylContact O-C 3.59Å; L363-A409 VanDerWaalsContact O-CA 3.25Å; L363-A409 WeakPolarHBondContact O-CA 3.32Å; L363-N410 PolarHBondContact O-N 3.48Å
364	V	98.2	Very high	97.5	Very high	10 Å²	10	51.1 Å²	51.1	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.7	178.3	-172	0	0	0	0	108.8	R362 I390 Y393 N410	R362-V364 HydrophobicContact CB-CG2 4.34Å; R362-V364 HydrophobicContact CG-CG2 3.62Å; V364-I390 HydrophobicContact CG1-CG1 4.46Å; V364-I390 HydrophobicContact CG1-CG2 3.58Å; V364-Y393 WeakPolarHBondContact CA-OH 3.41Å; V364-N410 HydrophobicContact CG2-CB 4.08Å
365	K	98.3	Very high	97.5	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.013	30%	0.295	C	S	.	.			trans	-100.4	126.9	165.7	-69.4	-172.2	-177.8	-176.8	0	110.3	Y379 A380 P381 I390 C391 Y393 D397 W400	K365-Y379 HydrophobicContact CB-CD2 4.01Å; K365-Y379 HydrophobicContact CB-CE2 3.73Å; K365-Y379 HydrophobicContact CD-CD2 3.88Å; K365-Y379 HydrophobicContact CD-CE2 4.44Å; K365-Y379 HydrophobicContact CD-CG 4.27Å; K365-Y379 HydrophobicContact CG-CD1 4.31Å; K365-Y379 HydrophobicContact CG-CD2 3.57Å; K365-Y379 HydrophobicContact CG-CE2 3.8Å; K365-Y379 HydrophobicContact CG-CG 3.85Å; K365-A380 WeakPolarHBondContact CE-O 3.39Å; K365-A380 PolarHBondContact NZ-O 2.91Å; K365-P381 PolarHBondContact NZ-O 2.93Å; K365-I390 WeakPolarHBondContact O-CA 3.28Å; K365-C391 HydrophobicContact CB-CB 3.67Å; K365-C391 PolarHBondContact O-N 3.06Å; K365-Y393 HydrophobicContact CB-CE1 4.36Å; K365-Y393 HydrophobicContact CD-CE1 4.09Å; K365-Y393 HydrophobicContact CG-CE1 3.93Å; K365-Y393 PolarHBondContact N-OH 2.9Å; K365-D397 IonicContact NZ-OD1 2.75Å; K365-D397 PolarHBondContact NZ-OD1 3.32Å; K365-W400 HydrophobicContact CD-CH2 4.33Å; K365-W400 HydrophobicContact CD-CZ3 4.06Å; K365-W400 VanDerWaalsContact CE-CE3 3.4Å; K365-W400 HydrophobicContact CG-CH2 3.79Å; K365-W400 HydrophobicContact CG-CZ3 3.85Å
366	W	97.3	Very high	97.3	Very high	96 Å²	96	59.8 Å²	59.8	36%	0.364	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-101.9	132.3	172.7	-67.8	94	0	0	0	109.6	D368 H369 E370 Y379 A389 I390	W366-D368 PolarHBondContact O-N 3.34Å; W366-D368 VanDerWaalsContact O-N 3.15Å; W366-H369 HydrophobicContact CB-CB 4.5Å; W366-H369 PolarHBondContact O-N 3.09Å; W366-E370 PolarHBondContact O-N 2.95Å; W366-Y379 PolarHBondContact N-OH 3.06Å; W366-A389 CarbonylContact C-O 3.53Å; W366-A389 WeakPolarHBondContact CA-O 3.44Å; W366-I390 HydrophobicContact CD2-CG1 4.18Å; W366-I390 HydrophobicContact CE3-CG1 3.74Å; W366-I390 HydrophobicContact CH2-CD1 3.79Å; W366-I390 HydrophobicContact CH2-CG1 3.93Å; W366-I390 HydrophobicContact CZ2-CD1 4.25Å; W366-I390 HydrophobicContact CZ2-CG1 4.33Å; W366-I390 HydrophobicContact CZ3-CD1 3.93Å; W366-I390 HydrophobicContact CZ3-CG1 3.61Å
367	Q	97.4	Very high	97.3	Very high	95 Å²	95	59.3 Å²	59.3	44%	0.444	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-52.5	-40.2	-175.1	-172.6	174	-3.9	0	0	112.8	H369 E370 A389	Q367-H369 PolarHBondContact O-N 2.95Å; Q367-E370 PolarHBondContact O-N 3.41Å; Q367-A389 HydrophobicContact CB-CB 4.27Å; Q367-A389 PolarHBondContact N-O 2.96Å
368	D	96.1	Very high	97.3	Very high	144 Å²	144	60.3 Å²	60.3	77%	0.77	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-76.5	-7.8	-176.8	-59.8	-28.1	0	0	0	113.8	W366	W366-D368 PolarHBondContact O-N 3.34Å; W366-D368 VanDerWaalsContact O-N 3.15Å
369	H	96.7	Very high	97.3	Very high	109 Å²	109	56.3 Å²	56.3	51%	0.505	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-110.8	-2.3	177.3	-68.9	-56.9	0	0	0	112.9	W366 Q367 P378 Y379	W366-H369 HydrophobicContact CB-CB 4.5Å; W366-H369 PolarHBondContact O-N 3.09Å; Q367-H369 PolarHBondContact O-N 2.95Å; H369-P378 HydrophobicContact CB-CG 3.95Å; H369-P378 VanDerWaalsContact O-CD 3.28Å; H369-P378 WeakPolarHBondContact O-CD 3.33Å; H369-Y379 HydrophobicContact CB-CE2 3.96Å; H369-Y379 WeakPolarHBondContact CB-OH 3.49Å
370	E	97.8	Very high	97.2	Very high	35 Å²	35	58.1 Å²	58.1	16%	0.164	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-73.9	139.9	175.4	-75.1	171.3	-152.1	0	0	111.3	W366 Q367 Y379 C382 H386	W366-E370 PolarHBondContact O-N 2.95Å; Q367-E370 PolarHBondContact O-N 3.41Å; E370-Y379 HydrophobicContact CG-CD2 3.88Å; E370-Y379 HydrophobicContact CG-CE2 3.82Å; E370-C382 WeakPolarHBondContact OE2-CB 3.27Å; E370-C382 PolarHBondContact OE2-N 3.3Å; E370-H386 IonicContact OE1-CD2 2.93Å; E370-H386 IonicContact OE1-CE1 3.31Å; E370-H386 IonicContact OE1-NE2 3.1Å; E370-H386 PolarHBondContact OE1-NE2 2.81Å; E370-H386 IonicContact OE2-CE1 3.53Å; E370-H386 PolarHBondContact OE2-CE1 2.89Å; E370-H386 VanDerWaalsContact OE2-CE1 3.31Å; E370-H386 IonicContact OE2-NE2 3.85Å; E370-H386 PolarHBondContact OE2-NE2 2.92Å
371	G	97.1	Very high	97.2	Very high	21 Å²	21	60.7 Å²	60.7	22%	0.216	34%	0.337	C	S	.	.	S	Bend	trans	171.7	-159.9	176	0	0	0	0	0	114.7	I373 A377 Y379 A380	G371-I373 PolarHBondContact O-N 3.05Å; G371-A377 VanDerWaalsContact C-CB 3.41Å; G371-Y379 PolarHBondContact N-O 3.49Å; G371-Y379 VanDerWaalsContact N-O 3.08Å; G371-A380 WeakPolarHBondContact O-CA 3.47Å
372	D	96.8	Very high	97.1	Very high	71 Å²	71	61.5 Å²	61.5	38%	0.38	34%	0.343	S	S	.	.			trans	-75.1	113	176.9	-173.7	-13.7	0	0	0	109.7	D374 K375 G376 A377	D372-D374 PolarHBondContact O-N 3.12Å; D372-D374 PolarHBondContact OD1-N 3.36Å; D372-D374 VanDerWaalsContact OD1-N 3.12Å; D372-K375 HydrophobicContact CB-CB 4.07Å; D372-K375 HydrophobicContact CB-CD 4.06Å; D372-K375 HydrophobicContact CB-CG 4.12Å; D372-K375 CarbonylContact O-C 3.51Å; D372-K375 WeakPolarHBondContact O-CA 3.32Å; D372-K375 PolarHBondContact O-N 3.13Å; D372-K375 WeakPolarHBondContact OD2-CD 3.36Å; D372-K375 VanDerWaalsContact OD2-CE 3.22Å; D372-K375 WeakPolarHBondContact OD2-CE 3.22Å; D372-K375 IonicContact OD2-NZ 3.65Å; D372-K375 PolarHBondContact OD2-NZ 3.49Å; D372-G376 PolarHBondContact O-N 2.73Å; D372-A377 WeakPolarHBondContact O-CB 3.36Å; D372-A377 PolarHBondContact O-N 3.01Å
373	I	95.4	Very high	96.9	Very high	87 Å²	87	63.4 Å²	63.4	45%	0.446	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-61.6	-37.2	-177.1	-62.1	174.5	0	0	0	110.4	G371 K375 G376 A377 A380	G371-I373 PolarHBondContact O-N 3.05Å; I373-K375 PolarHBondContact O-N 3.02Å; I373-K375 VanDerWaalsContact O-N 3.13Å; I373-G376 PolarHBondContact O-N 3.16Å; I373-A377 WeakPolarHBondContact CA-O 3.47Å; I373-A380 HydrophobicContact CD1-CB 4.21Å
374	D	96.5	Very high	96.6	Very high	157 Å²	157	64.9 Å²	64.9	84%	0.84	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-68.1	-14.1	178.8	-63.7	-29.8	0	0	0	112	D372	D372-D374 PolarHBondContact O-N 3.12Å; D372-D374 PolarHBondContact OD1-N 3.36Å; D372-D374 VanDerWaalsContact OD1-N 3.12Å
375	K	96.8	Very high	96.3	Very high	171 Å²	171	66.2 Å²	66.2	74%	0.743	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-105.2	13.4	174.3	-61.5	-179	-175.5	129.2	0	113.5	D372 I373	D372-K375 HydrophobicContact CB-CB 4.07Å; D372-K375 HydrophobicContact CB-CD 4.06Å; D372-K375 HydrophobicContact CB-CG 4.12Å; D372-K375 CarbonylContact O-C 3.51Å; D372-K375 WeakPolarHBondContact O-CA 3.32Å; D372-K375 PolarHBondContact O-N 3.13Å; D372-K375 WeakPolarHBondContact OD2-CD 3.36Å; D372-K375 VanDerWaalsContact OD2-CE 3.22Å; D372-K375 WeakPolarHBondContact OD2-CE 3.22Å; D372-K375 IonicContact OD2-NZ 3.65Å; D372-K375 PolarHBondContact OD2-NZ 3.49Å; I373-K375 PolarHBondContact O-N 3.02Å; I373-K375 VanDerWaalsContact O-N 3.13Å
376	G	95.8	Very high	96.2	Very high	68 Å²	68	69 Å²	69	70%	0.701	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	10.3	171.8	0	0	0	0	0	115.6	D372 I373	D372-G376 PolarHBondContact O-N 2.73Å; I373-G376 PolarHBondContact O-N 3.16Å
377	A	97.5	Very high	96	Very high	18 Å²	18	66.3 Å²	66.3	15%	0.149	38%	0.383	C	S	.	.			trans	-69.5	136.9	167.5	0	0	0	0	0	110.4	G371 D372 I373 Y379	G371-A377 VanDerWaalsContact C-CB 3.41Å; D372-A377 WeakPolarHBondContact O-CB 3.36Å; D372-A377 PolarHBondContact O-N 3.01Å; I373-A377 WeakPolarHBondContact CA-O 3.47Å; A377-Y379 PolarHBondContact O-N 3.34Å
378	P	96.6	Very high	95.8	Very high	62 Å²	62	68.9 Å²	68.9	40%	0.403	39%	0.388	S	S	.	.	S	Bend	trans	-64.8	-22.6	176	26.5	-36.8	0	0	0	113.1	H369	H369-P378 HydrophobicContact CB-CG 3.95Å; H369-P378 VanDerWaalsContact O-CD 3.28Å; H369-P378 WeakPolarHBondContact O-CD 3.33Å
379	Y	97.3	Very high	95.7	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.008	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-159.1	154.8	179.5	36.4	-105.2	0	0	0	113.2	M357 K365 W366 H369 E370 G371 A377 W400	M357-Y379 HydrophobicContact CE-CD1 4.38Å; M357-Y379 HydrophobicContact SD-CD1 3.96Å; M357-Y379 HydrophobicContact SD-CE1 3.92Å; K365-Y379 HydrophobicContact CB-CD2 4.01Å; K365-Y379 HydrophobicContact CB-CE2 3.73Å; K365-Y379 HydrophobicContact CD-CD2 3.88Å; K365-Y379 HydrophobicContact CD-CE2 4.44Å; K365-Y379 HydrophobicContact CD-CG 4.27Å; K365-Y379 HydrophobicContact CG-CD1 4.31Å; K365-Y379 HydrophobicContact CG-CD2 3.57Å; K365-Y379 HydrophobicContact CG-CE2 3.8Å; K365-Y379 HydrophobicContact CG-CG 3.85Å; W366-Y379 PolarHBondContact N-OH 3.06Å; H369-Y379 HydrophobicContact CB-CE2 3.96Å; H369-Y379 WeakPolarHBondContact CB-OH 3.49Å; E370-Y379 HydrophobicContact CG-CD2 3.88Å; E370-Y379 HydrophobicContact CG-CE2 3.82Å; G371-Y379 PolarHBondContact N-O 3.49Å; G371-Y379 VanDerWaalsContact N-O 3.08Å; A377-Y379 PolarHBondContact O-N 3.34Å; Y379-W400 VanDerWaalsContact CB-CZ2 3.42Å; Y379-W400 HydrophobicContact CD1-CH2 4.12Å; Y379-W400 AromaticContact CD1-CZ2 3.96Å; Y379-W400 HydrophobicContact CD1-CZ2 3.96Å; Y379-W400 HydrophobicContact CG-CH2 4.19Å; Y379-W400 HydrophobicContact CG-CZ2 4.03Å
380	A	96.8	Very high	95.7	Very high	39 Å²	39	59.1 Å²	59.1	32%	0.322	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.1	160.2	175.9	0	0	0	0	0	112.2	K365 G371 I373	K365-A380 WeakPolarHBondContact CE-O 3.39Å; K365-A380 PolarHBondContact NZ-O 2.91Å; G371-A380 WeakPolarHBondContact O-CA 3.47Å; I373-A380 HydrophobicContact CD1-CB 4.21Å
381	P	97.6	Very high	95.7	Very high	81 Å²	81	57.4 Å²	57.4	53%	0.526	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-52.9	150.2	175.7	-27.2	36.3	0	0	0	114.3	K365 S383	K365-P381 PolarHBondContact NZ-O 2.93Å; P381-S383 PolarHBondContact O-N 2.99Å
382	C	96.6	Very high	95.7	Very high	19 Å²	19	56.7 Å²	56.7	13%	0.128	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.2	129.5	175.6	-174.3	0	0	0	0	110.4	E370 G384 C391	E370-C382 WeakPolarHBondContact OE2-CB 3.27Å; E370-C382 PolarHBondContact OE2-N 3.3Å; C382-G384 VanDerWaalsContact C-N 3.28Å; C382-G384 PolarHBondContact SG-N 2.75Å; C382-G384 VanDerWaalsContact SG-N 3.43Å; C382-C391 HydrophobicContact CB-CB 3.69Å; C382-C391 WeakPolarHBondContact CB-SG 3.45Å; C382-C391 WeakPolarHBondContact SG-CB 3.44Å; C382-C391 CovalentContact SG-SG 2.03Å; C382-C391 PolarHBondContact SG-SG 3.47Å
383	S	93.9	Very high	95.7	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	31%	0.313	S	S	.	.	S	Bend	trans	-83.5	-7.5	172.7	78	0	0	0	0	113.3	P381 G394 G396 D397	P381-S383 PolarHBondContact O-N 2.99Å; S383-G394 VanDerWaalsContact OG-C 3.26Å; S383-G394 VanDerWaalsContact OG-CA 3.24Å; S383-G394 WeakPolarHBondContact OG-CA 3.49Å; S383-G394 PolarHBondContact OG-O 3.48Å; S383-G396 VanDerWaalsContact OG-CA 3.32Å; S383-G396 WeakPolarHBondContact OG-CA 3.27Å; S383-G396 PolarHBondContact OG-N 3.33Å; S383-D397 WeakPolarHBondContact CB-OD2 3.49Å; S383-D397 PolarHBondContact N-OD1 2.96Å; S383-D397 PolarHBondContact N-OD2 3.38Å; S383-D397 PolarHBondContact OG-N 3.41Å; S383-D397 PolarHBondContact OG-OD2 3.18Å
384	G	92.4	Very high	95.6	Very high	31 Å²	31	51 Å²	51	32%	0.32	30%	0.3	S	S	.	.	S	Bend	trans	-101.3	-125.5	179.3	0	0	0	0	0	112.7	C382 V392	C382-G384 VanDerWaalsContact C-N 3.28Å; C382-G384 PolarHBondContact SG-N 2.75Å; C382-G384 VanDerWaalsContact SG-N 3.43Å; G384-V392 WeakPolarHBondContact CA-O 3.31Å
385	I	92.8	Very high	95.4	Very high	39 Å²	39	44 Å²	44	20%	0.2	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.2	176.1	68.5	162.5	0	0	0	110.3	V392 P416 L418	I385-V392 HydrophobicContact CG1-CB 4.05Å; I385-V392 HydrophobicContact CG1-CG2 4.32Å; I385-V392 PolarHBondContact N-O 3.18Å; I385-V392 PolarHBondContact O-N 2.99Å; I385-P416 HydrophobicContact CD1-CB 3.52Å; I385-P416 HydrophobicContact CD1-CG 3.69Å; I385-P416 HydrophobicContact CG1-CB 4.17Å; I385-P416 HydrophobicContact CG1-CG 4.17Å; I385-L418 HydrophobicContact CD1-CD2 3.8Å; I385-L418 HydrophobicContact CD1-CG 4.47Å
386	H	95.2	Very high	95.2	Very high	62 Å²	62	37.2 Å²	37.2	29%	0.287	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.3	172.2	-60.5	88	0	0	0	111.6	E370 I390	E370-H386 IonicContact OE1-CD2 2.93Å; E370-H386 IonicContact OE1-CE1 3.31Å; E370-H386 IonicContact OE1-NE2 3.1Å; E370-H386 PolarHBondContact OE1-NE2 2.81Å; E370-H386 IonicContact OE2-CE1 3.53Å; E370-H386 PolarHBondContact OE2-CE1 2.89Å; E370-H386 VanDerWaalsContact OE2-CE1 3.31Å; E370-H386 IonicContact OE2-NE2 3.85Å; E370-H386 PolarHBondContact OE2-NE2 2.92Å; H386-I390 WeakPolarHBondContact CA-O 3.39Å
387	Q	93.9	Very high	95.3	Very high	39 Å²	39	34.1 Å²	34.1	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	112.3	168.8	-168.5	-174	19.7	0	0	109.3	I390 V392	Q387-I390 PolarHBondContact N-O 3.48Å; Q387-I390 PolarHBondContact O-N 3.25Å; Q387-V392 HydrophobicContact CB-CG2 4.05Å
388	R	91.9	Very high	95.2	Very high	148 Å²	148	36 Å²	36	56%	0.558	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	52.6	-172.6	-59.9	177.8	-75	175.6	-6.1	111.7	I390	R388-I390 PolarHBondContact O-N 3.43Å; R388-I390 VanDerWaalsContact O-N 3.09Å
389	A	94.4	Very high	95.2	Very high	31 Å²	31	36 Å²	36	26%	0.256	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	8.7	-178.9	0	0	0	0	0	116.5	W366 Q367	W366-A389 CarbonylContact C-O 3.53Å; W366-A389 WeakPolarHBondContact CA-O 3.44Å; Q367-A389 HydrophobicContact CB-CB 4.27Å; Q367-A389 PolarHBondContact N-O 2.96Å
390	I	96.7	Very high	95.2	Very high	17 Å²	17	38 Å²	38	9%	0.087	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.5	175.9	-60.3	164.9	0	0	0	109.5	V364 K365 W366 H386 Q387 R388 V392 K411	V364-I390 HydrophobicContact CG1-CG1 4.46Å; V364-I390 HydrophobicContact CG1-CG2 3.58Å; K365-I390 WeakPolarHBondContact O-CA 3.28Å; W366-I390 HydrophobicContact CD2-CG1 4.18Å; W366-I390 HydrophobicContact CE3-CG1 3.74Å; W366-I390 HydrophobicContact CH2-CD1 3.79Å; W366-I390 HydrophobicContact CH2-CG1 3.93Å; W366-I390 HydrophobicContact CZ2-CD1 4.25Å; W366-I390 HydrophobicContact CZ2-CG1 4.33Å; W366-I390 HydrophobicContact CZ3-CD1 3.93Å; W366-I390 HydrophobicContact CZ3-CG1 3.61Å; H386-I390 WeakPolarHBondContact CA-O 3.39Å; Q387-I390 PolarHBondContact N-O 3.48Å; Q387-I390 PolarHBondContact O-N 3.25Å; R388-I390 PolarHBondContact O-N 3.43Å; R388-I390 VanDerWaalsContact O-N 3.09Å; I390-V392 PolarHBondContact O-N 3.13Å; I390-K411 HydrophobicContact CB-CG 4.44Å; I390-K411 HydrophobicContact CG2-CD 4.25Å; I390-K411 HydrophobicContact CG2-CG 3.62Å
391	C	97.7	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125	174.2	179.3	0	0	0	0	111.2	K365 C382 K411	K365-C391 HydrophobicContact CB-CB 3.67Å; K365-C391 PolarHBondContact O-N 3.06Å; C382-C391 HydrophobicContact CB-CB 3.69Å; C382-C391 WeakPolarHBondContact CB-SG 3.45Å; C382-C391 WeakPolarHBondContact SG-CB 3.44Å; C382-C391 CovalentContact SG-SG 2.03Å; C382-C391 PolarHBondContact SG-SG 3.47Å; C391-K411 PolarHBondContact O-N 3.41Å
392	V	96.8	Very high	95.2	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	104.6	160.2	-176.8	0	0	0	0	106.6	G384 I385 Q387 I390 K411 D413 P416	G384-V392 WeakPolarHBondContact CA-O 3.31Å; I385-V392 HydrophobicContact CG1-CB 4.05Å; I385-V392 HydrophobicContact CG1-CG2 4.32Å; I385-V392 PolarHBondContact N-O 3.18Å; I385-V392 PolarHBondContact O-N 2.99Å; Q387-V392 HydrophobicContact CB-CG2 4.05Å; I390-V392 PolarHBondContact O-N 3.13Å; V392-K411 WeakPolarHBondContact CA-O 3.42Å; V392-K411 HydrophobicContact CG2-CB 4.47Å; V392-D413 HydrophobicContact CG1-CB 3.77Å; V392-P416 HydrophobicContact CG1-CB 4.3Å
393	Y	96.3	Very high	95.2	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.082	22%	0.221	C	C	.	.			trans	-57.2	137.3	-166.6	-66.4	-64.8	0	0	0	113.8	L363 V364 K365 D397 W400 M401 A409 N410 K411 F412	L363-Y393 PolarHBondContact O-OH 3.21Å; V364-Y393 WeakPolarHBondContact CA-OH 3.41Å; K365-Y393 HydrophobicContact CB-CE1 4.36Å; K365-Y393 HydrophobicContact CD-CE1 4.09Å; K365-Y393 HydrophobicContact CG-CE1 3.93Å; K365-Y393 PolarHBondContact N-OH 2.9Å; Y393-D397 HydrophobicContact CD1-CB 3.65Å; Y393-D397 HydrophobicContact CE1-CB 4.44Å; Y393-D397 HydrophobicContact CG-CB 4.39Å; Y393-W400 HydrophobicContact CE1-CZ3 4.21Å; Y393-M401 HydrophobicContact CD1-CE 4.22Å; Y393-M401 HydrophobicContact CD1-CG 4.38Å; Y393-M401 HydrophobicContact CD1-SD 3.51Å; Y393-M401 VanDerWaalsContact CD1-SD 3.51Å; Y393-M401 HydrophobicContact CD2-CE 3.46Å; Y393-M401 VanDerWaalsContact CD2-CE 3.46Å; Y393-M401 HydrophobicContact CD2-SD 3.83Å; Y393-M401 HydrophobicContact CE1-CE 4.35Å; Y393-M401 HydrophobicContact CE1-CG 4.25Å; Y393-M401 HydrophobicContact CE1-SD 3.89Å; Y393-M401 HydrophobicContact CE2-CE 3.6Å; Y393-M401 HydrophobicContact CE2-SD 4.17Å; Y393-M401 HydrophobicContact CG-CE 3.78Å; Y393-M401 HydrophobicContact CG-SD 3.46Å; Y393-A409 HydrophobicContact CE2-CB 3.89Å; Y393-N410 WeakPolarHBondContact CE2-O 3.38Å; Y393-K411 WeakPolarHBondContact CD2-O 3.29Å; Y393-K411 PolarHBondContact N-O 2.89Å; Y393-F412 HydrophobicContact CD2-CE1 4.25Å; Y393-F412 HydrophobicContact CD2-CE2 4.18Å; Y393-F412 HydrophobicContact CD2-CZ 4.08Å
394	G	93.2	Very high	95.4	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	21%	0.213	C	C	.	.			trans	-97.3	178.2	169.6	0	0	0	0	0	112.2	S383 G396 D397	S383-G394 VanDerWaalsContact OG-C 3.26Å; S383-G394 VanDerWaalsContact OG-CA 3.24Å; S383-G394 WeakPolarHBondContact OG-CA 3.49Å; S383-G394 PolarHBondContact OG-O 3.48Å; G394-G396 PolarHBondContact O-N 2.96Å; G394-D397 PolarHBondContact N-OD2 3.2Å; G394-D397 PolarHBondContact O-N 2.92Å
395	A	92.6	Very high	95.6	Very high	12 Å²	12	43.2 Å²	43.2	10%	0.099	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.4	177.9	0	0	0	0	0	112.8	I73 A84 D397 L398	I73-A395 HydrophobicContact CG2-CB 4.34Å; I73-A395 VanDerWaalsContact CG2-O 3.28Å; I73-A395 WeakPolarHBondContact CG2-O 3.15Å; A84-A395 HydrophobicContact CB-CB 3.9Å; A395-D397 VanDerWaalsContact C-N 3.28Å; A395-D397 PolarHBondContact O-N 2.89Å; A395-L398 PolarHBondContact O-N 2.89Å
396	G	94.3	Very high	95.9	Very high	28 Å²	28	41.3 Å²	41.3	29%	0.289	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-72.5	-18.2	178.9	0	0	0	0	0	114.1	S383 G394	S383-G396 VanDerWaalsContact OG-CA 3.32Å; S383-G396 WeakPolarHBondContact OG-CA 3.27Å; S383-G396 PolarHBondContact OG-N 3.33Å; G394-G396 PolarHBondContact O-N 2.96Å
397	D	96.4	Very high	96.1	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-80.2	-21.3	177.1	-61.8	-70.2	0	0	0	112.2	K365 S383 Y393 G394 A395 H399 W400 M401	K365-D397 IonicContact NZ-OD1 2.75Å; K365-D397 PolarHBondContact NZ-OD1 3.32Å; S383-D397 WeakPolarHBondContact CB-OD2 3.49Å; S383-D397 PolarHBondContact N-OD1 2.96Å; S383-D397 PolarHBondContact N-OD2 3.38Å; S383-D397 PolarHBondContact OG-N 3.41Å; S383-D397 PolarHBondContact OG-OD2 3.18Å; Y393-D397 HydrophobicContact CD1-CB 3.65Å; Y393-D397 HydrophobicContact CE1-CB 4.44Å; Y393-D397 HydrophobicContact CG-CB 4.39Å; G394-D397 PolarHBondContact N-OD2 3.2Å; G394-D397 PolarHBondContact O-N 2.92Å; A395-D397 VanDerWaalsContact C-N 3.28Å; A395-D397 PolarHBondContact O-N 2.89Å; D397-H399 PolarHBondContact O-N 3.42Å; D397-W400 PolarHBondContact O-N 3.07Å; D397-M401 HydrophobicContact CB-CG 4.27Å; D397-M401 HydrophobicContact CB-SD 3.79Å; D397-M401 WeakPolarHBondContact O-CG 3.36Å; D397-M401 PolarHBondContact O-N 2.93Å
398	L	95.9	Very high	96.3	Very high	57 Å²	57	36.6 Å²	36.6	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-41.4	-168.2	-74.8	174.6	0	0	0	113.9	I73 A395 M401 L402	I73-L398 HydrophobicContact CG2-CB 4.21Å; I73-L398 HydrophobicContact CG2-CD1 3.78Å; A395-L398 PolarHBondContact O-N 2.89Å; L398-M401 HydrophobicContact CD2-SD 4.47Å; L398-M401 PolarHBondContact O-N 3.33Å; L398-L402 VanDerWaalsContact O-CG 3.29Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 2.97Å
399	H	96.9	Very high	96.6	Very high	63 Å²	63	29.5 Å²	29.5	29%	0.292	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-50.1	-180	179	57.2	0	0	0	111.6	T74 R75 G76 D397 L402 Q403	T74-H399 PolarHBondContact O-ND1 3.39Å; R75-H399 VanDerWaalsContact C-ND1 3.26Å; R75-H399 PolarHBondContact O-CE1 2.95Å; G76-H399 PolarHBondContact N-ND1 3.19Å; D397-H399 PolarHBondContact O-N 3.42Å; H399-L402 PolarHBondContact O-N 3.19Å; H399-Q403 PolarHBondContact CE1-NE2 3.47Å; H399-Q403 PolarHBondContact NE2-NE2 2.9Å; H399-Q403 WeakPolarHBondContact O-CG 3.47Å; H399-Q403 PolarHBondContact O-N 2.89Å
400	W	96.4	Very high	96.8	Very high	42 Å²	42	28.2 Å²	28.2	16%	0.159	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-44.4	176.6	169.1	80.2	0	0	0	111.3	M357 L363 K365 Y379 Y393 D397 L402 Q403 N404	M357-W400 HydrophobicContact CE-CZ2 4.18Å; L363-W400 HydrophobicContact CD1-CH2 3.56Å; L363-W400 HydrophobicContact CD1-CZ2 4.04Å; L363-W400 HydrophobicContact CD1-CZ3 4.28Å; L363-W400 HydrophobicContact CD2-CE3 4.32Å; L363-W400 HydrophobicContact CD2-CH2 3.78Å; L363-W400 HydrophobicContact CD2-CZ3 3.62Å; L363-W400 HydrophobicContact CG-CH2 3.81Å; L363-W400 HydrophobicContact CG-CZ3 4.05Å; K365-W400 HydrophobicContact CD-CH2 4.33Å; K365-W400 HydrophobicContact CD-CZ3 4.06Å; K365-W400 VanDerWaalsContact CE-CE3 3.4Å; K365-W400 HydrophobicContact CG-CH2 3.79Å; K365-W400 HydrophobicContact CG-CZ3 3.85Å; Y379-W400 VanDerWaalsContact CB-CZ2 3.42Å; Y379-W400 HydrophobicContact CD1-CH2 4.12Å; Y379-W400 AromaticContact CD1-CZ2 3.96Å; Y379-W400 HydrophobicContact CD1-CZ2 3.96Å; Y379-W400 HydrophobicContact CG-CH2 4.19Å; Y379-W400 HydrophobicContact CG-CZ2 4.03Å; Y393-W400 HydrophobicContact CE1-CZ3 4.21Å; D397-W400 PolarHBondContact O-N 3.07Å; W400-L402 VanDerWaalsContact C-N 3.28Å; W400-L402 PolarHBondContact O-N 3.28Å; W400-Q403 WeakPolarHBondContact O-CB 3.24Å; W400-Q403 PolarHBondContact O-N 3.37Å; W400-N404 VanDerWaalsContact CE2-ND2 3.26Å; W400-N404 PolarHBondContact NE1-ND2 3.48Å; W400-N404 PolarHBondContact O-N 3.18Å; W400-N404 PolarHBondContact O-ND2 2.95Å
401	M	97.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-42.3	179.6	-68.5	170.8	68.3	0	0	112.1	L233 L363 Y393 D397 L398 Q403 N404 A409 F412	L233-M401 HydrophobicContact CD2-CB 4.14Å; L233-M401 HydrophobicContact CD2-CE 3.8Å; L363-M401 HydrophobicContact CD2-CB 4.15Å; L363-M401 HydrophobicContact CD2-CG 4.03Å; Y393-M401 HydrophobicContact CD1-CE 4.22Å; Y393-M401 HydrophobicContact CD1-CG 4.38Å; Y393-M401 HydrophobicContact CD1-SD 3.51Å; Y393-M401 VanDerWaalsContact CD1-SD 3.51Å; Y393-M401 HydrophobicContact CD2-CE 3.46Å; Y393-M401 VanDerWaalsContact CD2-CE 3.46Å; Y393-M401 HydrophobicContact CD2-SD 3.83Å; Y393-M401 HydrophobicContact CE1-CE 4.35Å; Y393-M401 HydrophobicContact CE1-CG 4.25Å; Y393-M401 HydrophobicContact CE1-SD 3.89Å; Y393-M401 HydrophobicContact CE2-CE 3.6Å; Y393-M401 HydrophobicContact CE2-SD 4.17Å; Y393-M401 HydrophobicContact CG-CE 3.78Å; Y393-M401 HydrophobicContact CG-SD 3.46Å; D397-M401 HydrophobicContact CB-CG 4.27Å; D397-M401 HydrophobicContact CB-SD 3.79Å; D397-M401 WeakPolarHBondContact O-CG 3.36Å; D397-M401 PolarHBondContact O-N 2.93Å; L398-M401 HydrophobicContact CD2-SD 4.47Å; L398-M401 PolarHBondContact O-N 3.33Å; M401-Q403 PolarHBondContact O-N 3.07Å; M401-N404 PolarHBondContact O-N 3.22Å; M401-A409 HydrophobicContact CE-CB 3.48Å; M401-A409 VanDerWaalsContact CE-CB 3.48Å; M401-F412 HydrophobicContact CE-CE1 3.85Å; M401-F412 HydrophobicContact CE-CE2 4.1Å; M401-F412 HydrophobicContact CE-CZ 3.26Å
402	L	96.9	Very high	96.6	Very high	82 Å²	82	30.5 Å²	30.5	43%	0.429	16%	0.158	S	C	.	.	H	α-helix	trans	-71.2	-15.7	-180	-68	174.5	0	0	0	113.8	T74 L398 H399 W400	T74-L402 HydrophobicContact CG2-CD1 3.59Å; L398-L402 VanDerWaalsContact O-CG 3.29Å; L398-L402 WeakPolarHBondContact O-CG 3.38Å; L398-L402 PolarHBondContact O-N 2.97Å; H399-L402 PolarHBondContact O-N 3.19Å; W400-L402 VanDerWaalsContact C-N 3.28Å; W400-L402 PolarHBondContact O-N 3.28Å
403	Q	96.4	Very high	96.3	Very high	124 Å²	124	31.3 Å²	31.3	58%	0.579	16%	0.162	S	C	*	.	H	α-helix	trans	-84.4	-12.7	173.9	-69	171	-14.1	0	0	113.3	H399 W400 M401	H399-Q403 PolarHBondContact CE1-NE2 3.47Å; H399-Q403 PolarHBondContact NE2-NE2 2.9Å; H399-Q403 WeakPolarHBondContact O-CG 3.47Å; H399-Q403 PolarHBondContact O-N 2.89Å; W400-Q403 WeakPolarHBondContact O-CB 3.24Å; W400-Q403 PolarHBondContact O-N 3.37Å; M401-Q403 PolarHBondContact O-N 3.07Å
404	N	97.9	Very high	95.5	Very high	26 Å²	26	32 Å²	32	14%	0.139	17%	0.169	C	C	.	.	S	Bend	trans	-86	151.9	-178.9	-77.8	-89.8	0	0	0	111.5	K234 L363 W400 M401 H406	K234-N404 PolarHBondContact NZ-O 3.3Å; L363-N404 HydrophobicContact CD1-CB 4.2Å; L363-N404 HydrophobicContact CD2-CB 3.94Å; W400-N404 VanDerWaalsContact CE2-ND2 3.26Å; W400-N404 PolarHBondContact NE1-ND2 3.48Å; W400-N404 PolarHBondContact O-N 3.18Å; W400-N404 PolarHBondContact O-ND2 2.95Å; M401-N404 PolarHBondContact O-N 3.22Å; N404-H406 VanDerWaalsContact C-N 3.3Å; N404-H406 PolarHBondContact O-N 3.06Å
405	H	98	Very high	94.8	Very high	91 Å²	91	34.3 Å²	34.3	42%	0.421	17%	0.174	S	C	.	.			trans	-77.2	-12.2	-177	59.3	-119.1	0	0	0	114.3	M357 T358 S359	M357-H405 PolarHBondContact O-CE1 3.01Å; M357-H405 PolarHBondContact O-NE2 3.48Å; M357-H405 VanDerWaalsContact O-NE2 3.14Å; T358-H405 PolarHBondContact O-NE2 3.39Å; S359-H405 PolarHBondContact O-NE2 3.32Å; S359-H405 VanDerWaalsContact O-NE2 3.14Å
406	H	98.8	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.			trans	-59.7	148.1	-174.5	-53.9	74.4	0	0	0	112.2	L233 K234 D356 M357 S359 I360 R362 L363 N404	L233-H406 HydrophobicContact CD1-CB 4.42Å; K234-H406 PolarHBondContact NZ-O 3.19Å; D356-H406 PolarHBondContact O-NE2 3.38Å; M357-H406 PolarHBondContact O-CE1 3Å; S359-H406 PolarHBondContact O-CD2 2.82Å; S359-H406 PolarHBondContact O-NE2 3.39Å; S359-H406 VanDerWaalsContact O-NE2 3.07Å; I360-H406 CarbonylContact O-C 3.54Å; I360-H406 VanDerWaalsContact O-CA 3.32Å; I360-H406 WeakPolarHBondContact O-CA 3.43Å; R362-H406 PolarHBondContact O-CD2 3.08Å; R362-H406 VanDerWaalsContact O-CD2 3.23Å; L363-H406 HydrophobicContact CB-CB 3.82Å; L363-H406 PolarHBondContact N-CD2 3.26Å; N404-H406 VanDerWaalsContact C-N 3.3Å; N404-H406 PolarHBondContact O-N 3.06Å
407	L	98.7	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-76.4	-40.4	-179.7	-56.9	-171.7	0	0	0	111.2	L224 L233 K234 M239 A242 L243 V300 I360	L224-L407 HydrophobicContact CD2-CD1 4Å; L233-L407 PolarHBondContact N-O 3.41Å; K234-L407 HydrophobicContact CG-CD2 4.27Å; K234-L407 PolarHBondContact N-O 3.42Å; M239-L407 HydrophobicContact CE-CB 4.43Å; M239-L407 WeakPolarHBondContact CE-O 3.38Å; M239-L407 HydrophobicContact CG-CB 4.45Å; M239-L407 HydrophobicContact CG-CD2 4.2Å; M239-L407 HydrophobicContact SD-CB 4.47Å; A242-L407 HydrophobicContact CB-CD2 3.86Å; L243-L407 HydrophobicContact CD2-CD1 4.1Å; L243-L407 HydrophobicContact CG-CD1 4.44Å; V300-L407 HydrophobicContact CG2-CD1 3.99Å; I360-L407 HydrophobicContact CB-CG 4.34Å; I360-L407 HydrophobicContact CD1-CD1 3.95Å; I360-L407 HydrophobicContact CD1-CD2 4.23Å; I360-L407 HydrophobicContact CD1-CG 4.07Å; I360-L407 HydrophobicContact CG1-CD1 4.17Å; I360-L407 HydrophobicContact CG1-CG 4.05Å; I360-L407 PolarHBondContact O-N 2.9Å
408	L	98.6	Very high	90.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163	179.9	-58.8	105.4	0	0	0	111.3	L224 T226 F231 M239 R362 L363	L224-L408 HydrophobicContact CD2-CD1 4.09Å; T226-L408 HydrophobicContact CG2-CD2 3.86Å; F231-L408 WeakPolarHBondContact O-CA 3.27Å; M239-L408 HydrophobicContact CE-CG 4.36Å; R362-L408 CarbonylContact C-O 3.54Å; R362-L408 WeakPolarHBondContact CA-O 3.27Å; L363-L408 PolarHBondContact N-O 2.91Å
409	A	98.5	Very high	87.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.9	175.6	0	0	0	0	0	112.6	D230 F231 L233 L363 Y393 M401 F412	D230-A409 WeakPolarHBondContact CA-O 3.37Å; F231-A409 PolarHBondContact N-O 2.86Å; F231-A409 PolarHBondContact O-N 3.31Å; L233-A409 HydrophobicContact CD1-CB 3.89Å; L233-A409 HydrophobicContact CD2-CB 3.94Å; L233-A409 HydrophobicContact CG-CB 3.89Å; L363-A409 HydrophobicContact CB-CB 4.02Å; L363-A409 CarbonylContact O-C 3.59Å; L363-A409 VanDerWaalsContact O-CA 3.25Å; L363-A409 WeakPolarHBondContact O-CA 3.32Å; Y393-A409 HydrophobicContact CE2-CB 3.89Å; M401-A409 HydrophobicContact CE-CB 3.48Å; M401-A409 VanDerWaalsContact CE-CB 3.48Å; A409-F412 HydrophobicContact CB-CE2 3.81Å; A409-F412 HydrophobicContact CB-CZ 4.13Å; A409-F412 WeakPolarHBondContact O-CE2 3.37Å
410	N	98.1	Very high	87.3	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.3	176.7	-165.7	-116.4	0	0	0	110.2	T229 D230 R362 L363 V364 Y393	T229-N410 PolarHBondContact O-ND2 3.37Å; T229-N410 PolarHBondContact OG1-ND2 2.9Å; D230-N410 VanDerWaalsContact OD1-CB 3.25Å; D230-N410 WeakPolarHBondContact OD1-CB 3.27Å; D230-N410 PolarHBondContact OD1-ND2 2.75Å; R362-N410 HydrophobicContact CG-CB 3.98Å; L363-N410 PolarHBondContact O-N 3.48Å; V364-N410 HydrophobicContact CG2-CB 4.08Å; Y393-N410 WeakPolarHBondContact CE2-O 3.38Å
411	K	96.1	Very high	86.8	Confident	22 Å²	22	52.6 Å²	52.6	10%	0.096	26%	0.262	C	S	.	.			cis	-120.5	154.5	10.3	-29.7	-144.3	168.8	157	0	112.6	I390 C391 V392 Y393	I390-K411 HydrophobicContact CB-CG 4.44Å; I390-K411 HydrophobicContact CG2-CD 4.25Å; I390-K411 HydrophobicContact CG2-CG 3.62Å; C391-K411 PolarHBondContact O-N 3.41Å; V392-K411 WeakPolarHBondContact CA-O 3.42Å; V392-K411 HydrophobicContact CG2-CB 4.47Å; Y393-K411 WeakPolarHBondContact CD2-O 3.29Å; Y393-K411 PolarHBondContact N-O 2.89Å
412	F	95.3	Very high	86.2	Confident	43 Å²	43	55.6 Å²	55.6	19%	0.189	28%	0.277	C	S	.	.			trans	-120.8	131.9	169.9	-61.7	-93	0	0	0	110.7	T229 F231 Y393 M401 A409	T229-F412 PolarHBondContact O-N 3.32Å; F231-F412 HydrophobicContact CB-CD1 4.46Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.4Å; F231-F412 HydrophobicContact CB-CE2 3.29Å; F231-F412 HydrophobicContact CB-CG 3.94Å; F231-F412 HydrophobicContact CB-CZ 3.81Å; Y393-F412 HydrophobicContact CD2-CE1 4.25Å; Y393-F412 HydrophobicContact CD2-CE2 4.18Å; Y393-F412 HydrophobicContact CD2-CZ 4.08Å; M401-F412 HydrophobicContact CE-CE1 3.85Å; M401-F412 HydrophobicContact CE-CE2 4.1Å; M401-F412 HydrophobicContact CE-CZ 3.26Å; A409-F412 HydrophobicContact CB-CE2 3.81Å; A409-F412 HydrophobicContact CB-CZ 4.13Å; A409-F412 WeakPolarHBondContact O-CE2 3.37Å
413	D	89.6	Confident	85.6	Confident	22 Å²	22	54 Å²	54	12%	0.118	27%	0.268	C	S	.	.			trans	-144.9	118.2	172.6	-164	-19.4	0	0	0	110.4	K142 V392 K415 P416	K142-D413 IonicContact NZ-OD1 3.44Å; K142-D413 IonicContact NZ-OD2 2.69Å; K142-D413 PolarHBondContact NZ-OD2 3.07Å; V392-D413 HydrophobicContact CG1-CB 3.77Å; D413-K415 PolarHBondContact O-N 2.78Å; D413-K415 PolarHBondContact OD1-N 3.49Å; D413-P416 HydrophobicContact CB-CB 4.04Å; D413-P416 WeakPolarHBondContact O-CD 3.46Å; D413-P416 WeakPolarHBondContact OD2-CA 3.41Å
414	P	79.5	Confident	84.9	Confident	35 Å²	35	49.6 Å²	49.6	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	-64.8	-24.4	173.7	-21.1	33.3	0	0	0	113.9	N145	N145-P414 WeakPolarHBondContact OD1-CD 3.1Å
415	K	78.5	Confident	84	Confident	67 Å²	67	51.2 Å²	51.2	29%	0.291	26%	0.255	S	S	.	.	S	Bend	trans	-139.4	71.9	178.2	-78.4	-165.7	171.2	-177.9	0	109.5	R95 E96 P97 D413 K417	R95-K415 WeakPolarHBondContact O-CE 3.5Å; R95-K415 PolarHBondContact O-NZ 3.27Å; E96-K415 IonicContact OE1-NZ 2.93Å; E96-K415 PolarHBondContact OE1-NZ 3.29Å; E96-K415 IonicContact OE2-NZ 2.67Å; E96-K415 PolarHBondContact OE2-NZ 2.92Å; P97-K415 HydrophobicContact CG-CD 3.8Å; P97-K415 HydrophobicContact CG-CG 4.31Å; D413-K415 PolarHBondContact O-N 2.78Å; D413-K415 PolarHBondContact OD1-N 3.49Å; K415-K417 PolarHBondContact O-N 2.99Å
416	P	68.3	Low	83.1	Confident	22 Å²	22	48.4 Å²	48.4	14%	0.143	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64.2	131.8	178.8	28.3	-31.8	0	0	0	109.7	I385 V392 D413 L418	I385-P416 HydrophobicContact CD1-CB 3.52Å; I385-P416 HydrophobicContact CD1-CG 3.69Å; I385-P416 HydrophobicContact CG1-CB 4.17Å; I385-P416 HydrophobicContact CG1-CG 4.17Å; V392-P416 HydrophobicContact CG1-CB 4.3Å; D413-P416 HydrophobicContact CB-CB 4.04Å; D413-P416 WeakPolarHBondContact O-CD 3.46Å; D413-P416 WeakPolarHBondContact OD2-CA 3.41Å; P416-L418 PolarHBondContact O-N 3.39Å
417	K	63.7	Low	81.8	Confident	130 Å²	130	52.1 Å²	52.1	57%	0.565	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-74.5	120.7	168.5	-66.1	178.8	-179.9	172	0	107.1	K415 N419	K415-K417 PolarHBondContact O-N 2.99Å; K417-N419 PolarHBondContact O-N 3.12Å
418	L	55.6	Low	80.4	Confident	145 Å²	145	56.4 Å²	56.4	76%	0.759	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-69.5	116.3	164	-70	163.1	0	0	0	105.6	I385 P416	I385-L418 HydrophobicContact CD1-CD2 3.8Å; I385-L418 HydrophobicContact CD1-CG 4.47Å; P416-L418 PolarHBondContact O-N 3.39Å
419	N	43.5	Very low	78.8	Confident	187 Å²	187	61.5 Å²	61.5	100%	1	31%	0.309	S	S	*	.			trans	-90.4	0	171.5	-81.1	4.7	0	0	0	109.3	K417	K417-N419 PolarHBondContact O-N 3.12Å

Retrieved 419 of 419 residues in 111.8 ms (Link to these results)

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