A0A077ZF37_TRITR Loading...

Peptidoglycan synthase ftsI homolog

AlphaFold DB , UniProt , Accession A0A077ZF37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 633 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	40.6	Very low	52.8	Low	241 Å²	241	161.8 Å²	161.8	100%	1.187	79%	0.788	S	S	*	*				0	76.5	0	-163.7	165.6	160.9	0	0	107.1
2	K	38.7	Very low	54.4	Low	191 Å²	191	152.7 Å²	152.7	83%	0.83	76%	0.758	S	S	*	*				57	116.7	114.9	-86	-169.6	178.3	-178.7	0	115.2
3	L	45.9	Very low	55.9	Low	166 Å²	166	148.5 Å²	148.5	87%	0.869	74%	0.736	S	S	*	*			trans	173.6	77.2	140.5	-89.5	155.8	0	0	0	108.1
4	Q	45.8	Very low	57.4	Low	189 Å²	189	142.2 Å²	142.2	88%	0.883	71%	0.713	S	S	*	*				52.6	100.4	100.5	-95	177.3	-29.4	0	0	115.8
5	N	43.3	Very low	59	Low	160 Å²	160	136.6 Å²	136.6	86%	0.856	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.9	126	174.3	-74.4	-25.1	0	0	0	111.9
6	S	54.5	Low	60.4	Low	111 Å²	111	133.6 Å²	133.6	78%	0.776	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-78.6	124.1	165.5	65.7	0	0	0	0	109.9	R8	S6-R8 PolarHBondContact O-N 3.21Å
7	F	53.8	Low	61.9	Low	209 Å²	209	134.6 Å²	134.6	92%	0.917	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-62	118	170.1	-81.8	-94.2	0	0	0	109.7
8	R	55	Low	63.3	Low	157 Å²	157	131.9 Å²	131.9	59%	0.592	67%	0.672	S	S	*	*			trans	-79.1	115.2	177.2	-151.7	178.5	179.4	166.4	-0.7	108.3	S6 Y10 E13	S6-R8 PolarHBondContact O-N 3.21Å; R8-Y10 HydrophobicContact CB-CE2 4.14Å; R8-Y10 WeakPolarHBondContact O-CD2 3.33Å; R8-Y10 PolarHBondContact O-N 3.11Å; R8-Y10 VanDerWaalsContact O-N 3.11Å; R8-E13 IonicContact NE-OE1 2.78Å; R8-E13 IonicContact NE-OE2 3.51Å
9	D	63.2	Low	64.6	Low	88 Å²	88	134.6 Å²	134.6	47%	0.471	67%	0.674	S	S	.	*			trans	-82.6	85.3	-179.9	-170.1	-16.2	0	0	0	110	T11 A12 E13	D9-T11 PolarHBondContact O-N 3.08Å; D9-T11 WeakPolarHBondContact OD1-CB 3.41Å; D9-T11 PolarHBondContact OD1-N 3.16Å; D9-T11 VanDerWaalsContact OD1-N 3.16Å; D9-T11 PolarHBondContact OD1-OG1 2.55Å; D9-A12 HydrophobicContact CB-CB 3.92Å; D9-A12 VanDerWaalsContact CG-CB 3.49Å; D9-A12 PolarHBondContact O-N 2.95Å; D9-A12 VanDerWaalsContact O-N 3.12Å; D9-A12 PolarHBondContact OD1-N 3.05Å; D9-E13 PolarHBondContact O-N 3.29Å
10	Y	67.2	Low	66	Low	161 Å²	161	136.6 Å²	136.6	63%	0.631	67%	0.673	S	S	*	*	H	α-helix	trans	-58.1	-28.3	177	-71.4	-83.1	0	0	0	112.5	R8 S14	R8-Y10 HydrophobicContact CB-CE2 4.14Å; R8-Y10 WeakPolarHBondContact O-CD2 3.33Å; R8-Y10 PolarHBondContact O-N 3.11Å; R8-Y10 VanDerWaalsContact O-N 3.11Å; Y10-S14 VanDerWaalsContact O-CB 3.32Å; Y10-S14 WeakPolarHBondContact O-CB 3.42Å; Y10-S14 PolarHBondContact O-N 3.24Å; Y10-S14 VanDerWaalsContact O-N 3.08Å; Y10-S14 PolarHBondContact O-OG 2.77Å
11	T	72.4	Confident	67.1	Low	107 Å²	107	132.3 Å²	132.3	66%	0.656	66%	0.659	S	S	*	*	H	α-helix	trans	-71	-39	174.8	25.5	0	0	0	0	112.4	D9 S14 A15	D9-T11 PolarHBondContact O-N 3.08Å; D9-T11 WeakPolarHBondContact OD1-CB 3.41Å; D9-T11 PolarHBondContact OD1-N 3.16Å; D9-T11 VanDerWaalsContact OD1-N 3.16Å; D9-T11 PolarHBondContact OD1-OG1 2.55Å; T11-S14 WeakPolarHBondContact CA-OG 3.32Å; T11-S14 PolarHBondContact O-OG 3.12Å; T11-A15 VanDerWaalsContact O-CB 3.31Å; T11-A15 WeakPolarHBondContact O-CB 3.39Å; T11-A15 PolarHBondContact O-N 2.94Å
12	A	72.2	Confident	69.6	Low	52 Å²	52	125.4 Å²	125.4	43%	0.43	63%	0.627	S	S	.	*	H	α-helix	trans	-71.5	-40.6	174.4	0	0	0	0	0	113.1	D9 A15 L16	D9-A12 HydrophobicContact CB-CB 3.92Å; D9-A12 VanDerWaalsContact CG-CB 3.49Å; D9-A12 PolarHBondContact O-N 2.95Å; D9-A12 VanDerWaalsContact O-N 3.12Å; D9-A12 PolarHBondContact OD1-N 3.05Å; A12-A15 PolarHBondContact O-N 2.93Å; A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 3.44Å
13	E	73.9	Confident	72.1	Confident	99 Å²	99	120.8 Å²	120.8	46%	0.463	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-42.7	176.2	-78.4	-175.1	179.3	0	0	111.6	R8 D9 L16 F17	R8-E13 IonicContact NE-OE1 2.78Å; R8-E13 IonicContact NE-OE2 3.51Å; D9-E13 PolarHBondContact O-N 3.29Å; E13-L16 PolarHBondContact O-N 2.97Å; E13-F17 WeakPolarHBondContact O-CB 3.34Å; E13-F17 PolarHBondContact O-N 2.99Å
14	S	77.5	Confident	74.3	Confident	60 Å²	60	115.3 Å²	115.3	42%	0.42	59%	0.593	S	S	.	*	H	α-helix	trans	-66.5	-41.9	175.7	55.4	0	0	0	0	112.6	Y10 T11 L16 F17 V18	Y10-S14 VanDerWaalsContact O-CB 3.32Å; Y10-S14 WeakPolarHBondContact O-CB 3.42Å; Y10-S14 PolarHBondContact O-N 3.24Å; Y10-S14 VanDerWaalsContact O-N 3.08Å; Y10-S14 PolarHBondContact O-OG 2.77Å; T11-S14 WeakPolarHBondContact CA-OG 3.32Å; T11-S14 PolarHBondContact O-OG 3.12Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.47Å; S14-F17 PolarHBondContact O-N 2.8Å; S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 VanDerWaalsContact O-CG2 3.27Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 2.84Å
15	A	81.3	Confident	76.6	Confident	58 Å²	58	112.5 Å²	112.5	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-39.4	175.1	0	0	0	0	0	112.3	T11 A12 R19	T11-A15 VanDerWaalsContact O-CB 3.31Å; T11-A15 WeakPolarHBondContact O-CB 3.39Å; T11-A15 PolarHBondContact O-N 2.94Å; A12-A15 PolarHBondContact O-N 2.93Å; A15-R19 VanDerWaalsContact O-CB 3.31Å; A15-R19 WeakPolarHBondContact O-CB 3.41Å; A15-R19 PolarHBondContact O-N 3.42Å
16	L	81.9	Confident	79	Confident	88 Å²	88	109.6 Å²	109.6	46%	0.461	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-43.9	174.6	-170.3	79.8	0	0	0	111.3	A12 E13 S14 R19 R20	A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 3.44Å; E13-L16 PolarHBondContact O-N 2.97Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.47Å; L16-R19 PolarHBondContact O-N 3.47Å; L16-R20 WeakPolarHBondContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.33Å; L16-R20 PolarHBondContact O-N 3.03Å
17	F	85.8	Confident	81	Confident	151 Å²	151	105.9 Å²	105.9	66%	0.662	54%	0.541	S	S	*	.	H	α-helix	trans	-61.8	-48.6	176	178.4	-96.1	0	0	0	111.5	E13 S14 R19 R20 A21	E13-F17 WeakPolarHBondContact O-CB 3.34Å; E13-F17 PolarHBondContact O-N 2.99Å; S14-F17 PolarHBondContact O-N 2.8Å; F17-R19 VanDerWaalsContact C-N 3.33Å; F17-R19 PolarHBondContact O-N 3.41Å; F17-R20 PolarHBondContact O-N 3.31Å; F17-A21 WeakPolarHBondContact O-CB 3.27Å; F17-A21 PolarHBondContact O-N 2.84Å
18	V	87.2	Confident	82.9	Confident	86 Å²	86	100.9 Å²	100.9	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-59.9	-43.2	177.2	171.1	0	0	0	0	110.7	S14 A21 L22	S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 VanDerWaalsContact O-CG2 3.27Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 2.84Å; V18-A21 PolarHBondContact O-N 2.68Å; V18-L22 VanDerWaalsContact O-CB 3.24Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 PolarHBondContact O-N 3.02Å
19	R	88.2	Confident	84.9	Confident	184 Å²	184	98.2 Å²	98.2	69%	0.694	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-42	177	-170.6	177.2	178.4	-171.9	0	112.1	A15 L16 F17 L22 V23	A15-R19 VanDerWaalsContact O-CB 3.31Å; A15-R19 WeakPolarHBondContact O-CB 3.41Å; A15-R19 PolarHBondContact O-N 3.42Å; L16-R19 PolarHBondContact O-N 3.47Å; F17-R19 VanDerWaalsContact C-N 3.33Å; F17-R19 PolarHBondContact O-N 3.41Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-V23 WeakPolarHBondContact O-CB 3.35Å; R19-V23 VanDerWaalsContact O-CG2 3.27Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 3.15Å
20	R	90.9	Very high	86.4	Confident	173 Å²	173	99.6 Å²	99.6	65%	0.653	53%	0.527	S	S	*	.	H	α-helix	trans	-65.3	-42.8	175.3	-75.2	177.4	177.6	-175.7	0.3	111.7	L16 F17 L22 V23 A24	L16-R20 WeakPolarHBondContact O-CB 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.33Å; L16-R20 PolarHBondContact O-N 3.03Å; F17-R20 PolarHBondContact O-N 3.31Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.42Å; R20-V23 PolarHBondContact O-N 3.29Å; R20-A24 VanDerWaalsContact O-CB 3.28Å; R20-A24 WeakPolarHBondContact O-CB 3.31Å; R20-A24 PolarHBondContact O-N 3.42Å
21	A	90.1	Very high	87.8	Confident	47 Å²	47	97.4 Å²	97.4	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.4	0	0	0	0	0	111.4	F17 V18 A24 F25	F17-A21 WeakPolarHBondContact O-CB 3.27Å; F17-A21 PolarHBondContact O-N 2.84Å; V18-A21 PolarHBondContact O-N 2.68Å; A21-A24 PolarHBondContact O-N 2.73Å; A21-F25 WeakPolarHBondContact O-CB 3.3Å; A21-F25 PolarHBondContact O-N 3.22Å
22	L	91.9	Very high	88.9	Confident	97 Å²	97	95.3 Å²	95.3	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-70	-41.2	178.5	-158.7	153.2	0	0	0	111.7	V18 R19 R20 F25 L26	V18-L22 VanDerWaalsContact O-CB 3.24Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 PolarHBondContact O-N 3.02Å; R19-L22 PolarHBondContact O-N 3.37Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.42Å; L22-F25 PolarHBondContact O-N 3.47Å; L22-L26 HydrophobicContact CD2-CD1 3.62Å; L22-L26 HydrophobicContact CD2-CG 4.14Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 3.38Å
23	V	92.2	Very high	90.1	Very high	93 Å²	93	94.6 Å²	94.6	56%	0.564	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-44	172.5	170.7	0	0	0	0	111.3	R19 R20 L26 G27	R19-V23 WeakPolarHBondContact O-CB 3.35Å; R19-V23 VanDerWaalsContact O-CG2 3.27Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 3.15Å; R20-V23 PolarHBondContact O-N 3.29Å; V23-L26 PolarHBondContact O-N 3.07Å; V23-G27 PolarHBondContact O-N 3.41Å
24	A	92.1	Very high	91.1	Very high	52 Å²	52	94.1 Å²	94.1	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.6	0	0	0	0	0	111.6	R20 A21 G27 I28	R20-A24 VanDerWaalsContact O-CB 3.28Å; R20-A24 WeakPolarHBondContact O-CB 3.31Å; R20-A24 PolarHBondContact O-N 3.42Å; A21-A24 PolarHBondContact O-N 2.73Å; A24-G27 PolarHBondContact O-N 2.77Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.28Å; A24-I28 PolarHBondContact O-N 3.24Å
25	F	94	Very high	92	Very high	130 Å²	130	96.6 Å²	96.6	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-46.3	175.8	179.8	-100.2	0	0	0	111.9	A21 L22 G27 I28 L29	A21-F25 WeakPolarHBondContact O-CB 3.3Å; A21-F25 PolarHBondContact O-N 3.22Å; L22-F25 PolarHBondContact O-N 3.47Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å; F25-I28 PolarHBondContact O-N 2.92Å; F25-L29 HydrophobicContact CE1-CD1 3.95Å; F25-L29 HydrophobicContact CZ-CD1 4.03Å; F25-L29 VanDerWaalsContact O-CB 3.3Å; F25-L29 WeakPolarHBondContact O-CB 3.2Å; F25-L29 PolarHBondContact O-N 3.45Å
26	L	94.3	Very high	92.7	Very high	98 Å²	98	98.8 Å²	98.8	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-39.1	174.5	-74.4	172.8	0	0	0	112	L22 V23 L29 L30	L22-L26 HydrophobicContact CD2-CD1 3.62Å; L22-L26 HydrophobicContact CD2-CG 4.14Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 3.38Å; V23-L26 PolarHBondContact O-N 3.07Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 PolarHBondContact O-N 3.19Å
27	G	95.6	Very high	93.3	Very high	33 Å²	33	97.5 Å²	97.5	34%	0.34	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-46	174.6	0	0	0	0	0	112.5	V23 A24 F25 L30 L31	V23-G27 PolarHBondContact O-N 3.41Å; A24-G27 PolarHBondContact O-N 2.77Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å; G27-L30 PolarHBondContact O-N 2.91Å; G27-L31 WeakPolarHBondContact O-CG 3.24Å; G27-L31 PolarHBondContact O-N 3.4Å
28	I	94.9	Very high	93.7	Very high	105 Å²	105	94.2 Å²	94.2	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.7	-69.3	164.9	0	0	0	110.6	A24 F25 L30 L31 T32	A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.28Å; A24-I28 PolarHBondContact O-N 3.24Å; F25-I28 PolarHBondContact O-N 2.92Å; I28-L30 PolarHBondContact O-N 2.86Å; I28-L31 PolarHBondContact O-N 3.43Å; I28-T32 VanDerWaalsContact O-CB 3.26Å; I28-T32 WeakPolarHBondContact O-CB 3.49Å; I28-T32 PolarHBondContact O-N 3.49Å; I28-T32 PolarHBondContact O-OG1 2.83Å
29	L	95.7	Very high	94	Very high	100 Å²	100	94.2 Å²	94.2	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-40	-179.7	-166	137.5	0	0	0	111.7	F25 L26 T32 G33	F25-L29 HydrophobicContact CE1-CD1 3.95Å; F25-L29 HydrophobicContact CZ-CD1 4.03Å; F25-L29 VanDerWaalsContact O-CB 3.3Å; F25-L29 WeakPolarHBondContact O-CB 3.2Å; F25-L29 PolarHBondContact O-N 3.45Å; L26-L29 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-N 3.26Å; L29-G33 PolarHBondContact O-N 2.97Å
30	L	95.9	Very high	94.3	Very high	118 Å²	118	91.9 Å²	91.9	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-47.3	174.8	-172.9	145	0	0	0	111.8	L26 G27 I28 T32 G33 V34	L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 PolarHBondContact O-N 3.19Å; G27-L30 PolarHBondContact O-N 2.91Å; I28-L30 PolarHBondContact O-N 2.86Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 2.92Å; L30-G33 WeakPolarHBondContact O-CA 3.48Å; L30-G33 PolarHBondContact O-N 3.47Å; L30-G33 VanDerWaalsContact O-N 3.17Å; L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 2.8Å
31	L	95.6	Very high	94.3	Very high	114 Å²	114	86.1 Å²	86.1	60%	0.597	49%	0.487	S	S	*	.	H	α-helix	trans	-62.7	-39.9	176.5	-71.8	173.2	0	0	0	112.1	G27 I28 G33 V34 L35	G27-L31 WeakPolarHBondContact O-CG 3.24Å; G27-L31 PolarHBondContact O-N 3.4Å; I28-L31 PolarHBondContact O-N 3.43Å; L31-G33 VanDerWaalsContact C-N 3.32Å; L31-V34 PolarHBondContact O-N 3.36Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 3Å
32	T	96.5	Very high	94.2	Very high	63 Å²	63	86.8 Å²	86.8	39%	0.387	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-40.5	174.5	-54.8	0	0	0	0	110.4	I28 L29 L30 V34 L35 I36	I28-T32 VanDerWaalsContact O-CB 3.26Å; I28-T32 WeakPolarHBondContact O-CB 3.49Å; I28-T32 PolarHBondContact O-N 3.49Å; I28-T32 PolarHBondContact O-OG1 2.83Å; L29-T32 PolarHBondContact O-N 3.26Å; L30-T32 VanDerWaalsContact C-N 3.33Å; L30-T32 PolarHBondContact O-N 2.92Å; T32-V34 VanDerWaalsContact C-N 3.34Å; T32-V34 PolarHBondContact O-N 3.33Å; T32-L35 PolarHBondContact O-N 3.41Å; T32-I36 HydrophobicContact CG2-CD1 3.99Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.49Å
33	G	96.3	Very high	94	Very high	37 Å²	37	88.2 Å²	88.2	38%	0.381	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-41.4	172.7	0	0	0	0	0	113	L29 L30 L31 I36 A37	L29-G33 PolarHBondContact O-N 2.97Å; L30-G33 WeakPolarHBondContact O-CA 3.48Å; L30-G33 PolarHBondContact O-N 3.47Å; L30-G33 VanDerWaalsContact O-N 3.17Å; L31-G33 VanDerWaalsContact C-N 3.32Å; G33-I36 PolarHBondContact O-N 2.77Å; G33-A37 WeakPolarHBondContact O-CB 3.27Å; G33-A37 PolarHBondContact O-N 3.31Å
34	V	96.2	Very high	93.8	Very high	90 Å²	90	88.7 Å²	88.7	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-42.9	173.9	174.6	0	0	0	0	111.4	L30 L31 T32 A37 N38	L30-V34 WeakPolarHBondContact O-CG2 3.29Å; L30-V34 PolarHBondContact O-N 2.8Å; L31-V34 PolarHBondContact O-N 3.36Å; T32-V34 VanDerWaalsContact C-N 3.34Å; T32-V34 PolarHBondContact O-N 3.33Å; V34-A37 PolarHBondContact O-N 2.96Å; V34-N38 WeakPolarHBondContact O-CB 3.3Å; V34-N38 PolarHBondContact O-N 3.06Å
35	L	95.9	Very high	93.4	Very high	111 Å²	111	90.5 Å²	90.5	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-42.3	176.6	-70.5	173.9	0	0	0	112.2	L31 T32 N38 L39	L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 3Å; T32-L35 PolarHBondContact O-N 3.41Å; L35-N38 PolarHBondContact O-N 3.43Å; L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.01Å
36	I	95.8	Very high	92.8	Very high	104 Å²	104	89.7 Å²	89.7	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.3	-68.6	169.9	0	0	0	110.5	T32 G33 N38 L39 Y40	T32-I36 HydrophobicContact CG2-CD1 3.99Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.49Å; G33-I36 PolarHBondContact O-N 2.77Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 3.35Å; I36-L39 PolarHBondContact O-N 3.37Å; I36-Y40 WeakPolarHBondContact O-CB 3.36Å; I36-Y40 PolarHBondContact O-N 3.45Å
37	A	94.8	Very high	92.2	Very high	62 Å²	62	90.1 Å²	90.1	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-39.2	176.1	0	0	0	0	0	111.7	G33 V34 Y40 N41	G33-A37 WeakPolarHBondContact O-CB 3.27Å; G33-A37 PolarHBondContact O-N 3.31Å; V34-A37 PolarHBondContact O-N 2.96Å; A37-Y40 PolarHBondContact O-N 3.21Å; A37-N41 WeakPolarHBondContact O-CB 3.18Å; A37-N41 PolarHBondContact O-N 3.46Å
38	N	94.6	Very high	91.3	Very high	81 Å²	81	92.6 Å²	92.6	43%	0.433	49%	0.491	S	S	.	.	H	α-helix	trans	-68.2	-42.8	174.9	-171.2	44.7	0	0	0	112.2	V34 L35 I36 Y40 N41 L42	V34-N38 WeakPolarHBondContact O-CB 3.3Å; V34-N38 PolarHBondContact O-N 3.06Å; L35-N38 PolarHBondContact O-N 3.43Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 3.35Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 3.5Å; N38-N41 PolarHBondContact O-N 3.25Å; N38-L42 VanDerWaalsContact O-CG 3.31Å; N38-L42 WeakPolarHBondContact O-CG 3.33Å; N38-L42 PolarHBondContact O-N 3.47Å
39	L	93.6	Very high	90.3	Very high	86 Å²	86	91.8 Å²	91.8	45%	0.45	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-43.9	173.8	-83	163.8	0	0	0	111.4	L35 I36 N41 L42 Q43	L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.01Å; I36-L39 PolarHBondContact O-N 3.37Å; L39-N41 PolarHBondContact O-N 3.42Å; L39-L42 PolarHBondContact O-N 2.72Å; L39-Q43 VanDerWaalsContact O-CB 3.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.31Å; L39-Q43 WeakPolarHBondContact O-CG 3.38Å; L39-Q43 PolarHBondContact O-N 3.32Å
40	Y	93.5	Very high	89.1	Confident	136 Å²	136	91.6 Å²	91.6	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-43.8	174.8	-173.5	-85.8	0	0	0	111.5	I36 A37 N38 I44 V45	I36-Y40 WeakPolarHBondContact O-CB 3.36Å; I36-Y40 PolarHBondContact O-N 3.45Å; A37-Y40 PolarHBondContact O-N 3.21Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 3.5Å; Y40-I44 HydrophobicContact CD2-CB 4.47Å; Y40-I44 HydrophobicContact CD2-CD1 3.52Å; Y40-I44 HydrophobicContact CD2-CG1 4.42Å; Y40-I44 HydrophobicContact CE1-CB 4.38Å; Y40-I44 HydrophobicContact CE1-CG2 4.24Å; Y40-I44 HydrophobicContact CE2-CB 4.31Å; Y40-I44 HydrophobicContact CE2-CD1 3.35Å; Y40-I44 HydrophobicContact CE2-CG1 4.36Å; Y40-I44 HydrophobicContact CE2-CG2 4.29Å; Y40-I44 HydrophobicContact CG-CD1 4.36Å; Y40-I44 WeakPolarHBondContact O-CA 3.48Å; Y40-I44 WeakPolarHBondContact O-CB 3.27Å; Y40-I44 PolarHBondContact O-N 3.28Å; Y40-V45 HydrophobicContact CD1-CG2 4.12Å; Y40-V45 HydrophobicContact CE1-CG2 3.99Å; Y40-V45 PolarHBondContact O-N 2.82Å
41	N	91	Very high	88.1	Confident	52 Å²	52	90.1 Å²	90.1	28%	0.278	47%	0.471	S	S	.	.	I	π-helix	trans	-62.6	-43.7	176.3	-172.7	28.9	0	0	0	112.3	A37 N38 L39 V45 R46	A37-N41 WeakPolarHBondContact O-CB 3.18Å; A37-N41 PolarHBondContact O-N 3.46Å; N38-N41 PolarHBondContact O-N 3.25Å; L39-N41 PolarHBondContact O-N 3.42Å; N41-V45 WeakPolarHBondContact O-CB 3.36Å; N41-V45 PolarHBondContact O-N 2.98Å; N41-R46 WeakPolarHBondContact O-CB 3.44Å; N41-R46 PolarHBondContact O-N 3.09Å
42	L	88.7	Confident	86.9	Confident	61 Å²	61	88.1 Å²	88.1	32%	0.319	46%	0.464	S	S	.	.	I	π-helix	trans	-71.5	-43.9	179.4	-67.3	174.2	0	0	0	112.8	N38 L39 Y50	N38-L42 VanDerWaalsContact O-CG 3.31Å; N38-L42 WeakPolarHBondContact O-CG 3.33Å; N38-L42 PolarHBondContact O-N 3.47Å; L39-L42 PolarHBondContact O-N 2.72Å; L42-Y50 HydrophobicContact CD2-CD2 4.29Å; L42-Y50 HydrophobicContact CD2-CE2 3.35Å; L42-Y50 WeakPolarHBondContact CD2-OH 3.37Å
43	Q	87.4	Confident	85.4	Confident	126 Å²	126	92.7 Å²	92.7	59%	0.589	47%	0.474	S	S	*	.	I	π-helix	trans	-90.2	-22	-171.8	-66.1	-172.5	6.7	0	0	114.6	L39 F47	L39-Q43 VanDerWaalsContact O-CB 3.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.31Å; L39-Q43 WeakPolarHBondContact O-CG 3.38Å; L39-Q43 PolarHBondContact O-N 3.32Å; Q43-F47 WeakPolarHBondContact O-CB 3.38Å
44	I	86.9	Confident	84	Confident	103 Å²	103	94 Å²	94	53%	0.528	48%	0.477	S	S	.	.	I	π-helix	trans	-117.8	-54.8	-177.4	-65.6	175.4	0	0	0	110.8	Y40	Y40-I44 HydrophobicContact CD2-CB 4.47Å; Y40-I44 HydrophobicContact CD2-CD1 3.52Å; Y40-I44 HydrophobicContact CD2-CG1 4.42Å; Y40-I44 HydrophobicContact CE1-CB 4.38Å; Y40-I44 HydrophobicContact CE1-CG2 4.24Å; Y40-I44 HydrophobicContact CE2-CB 4.31Å; Y40-I44 HydrophobicContact CE2-CD1 3.35Å; Y40-I44 HydrophobicContact CE2-CG1 4.36Å; Y40-I44 HydrophobicContact CE2-CG2 4.29Å; Y40-I44 HydrophobicContact CG-CD1 4.36Å; Y40-I44 WeakPolarHBondContact O-CA 3.48Å; Y40-I44 WeakPolarHBondContact O-CB 3.27Å; Y40-I44 PolarHBondContact O-N 3.28Å
45	V	83.7	Confident	82.5	Confident	90 Å²	90	91.9 Å²	91.9	55%	0.545	46%	0.462	S	S	.	.	I	π-helix	trans	-69.8	-43.9	-175.9	-178.6	0	0	0	0	111.8	Y40 N41	Y40-V45 HydrophobicContact CD1-CG2 4.12Å; Y40-V45 HydrophobicContact CE1-CG2 3.99Å; Y40-V45 PolarHBondContact O-N 2.82Å; N41-V45 WeakPolarHBondContact O-CB 3.36Å; N41-V45 PolarHBondContact O-N 2.98Å
46	R	81.6	Confident	81	Confident	113 Å²	113	92.8 Å²	92.8	43%	0.426	46%	0.464	S	S	.	.	S	Bend	trans	-106.6	15.8	-177.9	-64.5	-173	177.6	-173.1	-2.2	113.8	N41 T48 D49 Y50	N41-R46 WeakPolarHBondContact O-CB 3.44Å; N41-R46 PolarHBondContact O-N 3.09Å; R46-T48 VanDerWaalsContact C-N 3.26Å; R46-T48 PolarHBondContact O-N 3.07Å; R46-D49 HydrophobicContact CB-CB 4.5Å; R46-D49 PolarHBondContact O-N 3.12Å; R46-D49 VanDerWaalsContact O-N 3.11Å; R46-Y50 HydrophobicContact CB-CD2 3.66Å; R46-Y50 HydrophobicContact CB-CE2 3.52Å; R46-Y50 HydrophobicContact CG-CE2 4.35Å; R46-Y50 VanDerWaalsContact O-CD2 3.24Å; R46-Y50 WeakPolarHBondContact O-CD2 3.27Å; R46-Y50 PolarHBondContact O-N 2.66Å
47	F	82	Confident	79.6	Confident	107 Å²	107	94 Å²	94	47%	0.469	47%	0.472	S	S	.	.	H	α-helix	trans	-51.4	-48.5	-179.6	179.2	-106.4	0	0	0	111.8	Q43 D49 Y50 Q51	Q43-F47 WeakPolarHBondContact O-CB 3.38Å; F47-D49 VanDerWaalsContact C-N 3.34Å; F47-D49 PolarHBondContact O-N 2.94Å; F47-Y50 PolarHBondContact O-N 3.25Å; F47-Q51 WeakPolarHBondContact O-CB 3.36Å; F47-Q51 PolarHBondContact O-N 2.79Å
48	T	77.5	Confident	78.7	Confident	85 Å²	85	95.9 Å²	95.9	52%	0.521	47%	0.465	S	S	.	.	H	α-helix	trans	-63.3	-37.9	-179.3	49.6	0	0	0	0	112.5	R46 T52	R46-T48 VanDerWaalsContact C-N 3.26Å; R46-T48 PolarHBondContact O-N 3.07Å; T48-T52 WeakPolarHBondContact O-CB 3.26Å; T48-T52 PolarHBondContact O-N 3.32Å; T48-T52 PolarHBondContact O-OG1 2.83Å
49	D	72.4	Confident	78.1	Confident	88 Å²	88	93.9 Å²	93.9	47%	0.471	45%	0.454	S	S	.	.	H	α-helix	trans	-70	-46.5	179.6	-66	-9.7	0	0	0	111.2	R46 F47 R53	R46-D49 HydrophobicContact CB-CB 4.5Å; R46-D49 PolarHBondContact O-N 3.12Å; R46-D49 VanDerWaalsContact O-N 3.11Å; F47-D49 VanDerWaalsContact C-N 3.34Å; F47-D49 PolarHBondContact O-N 2.94Å; D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.31Å; D49-R53 WeakPolarHBondContact O-CG 3.4Å; D49-R53 PolarHBondContact O-N 2.92Å
50	Y	72.3	Confident	77.7	Confident	96 Å²	96	95.1 Å²	95.1	38%	0.376	46%	0.456	S	S	.	.	H	α-helix	trans	-72.7	-35.4	179.4	-71.9	-67.1	0	0	0	112.3	L42 R46 F47 S54	L42-Y50 HydrophobicContact CD2-CD2 4.29Å; L42-Y50 HydrophobicContact CD2-CE2 3.35Å; L42-Y50 WeakPolarHBondContact CD2-OH 3.37Å; R46-Y50 HydrophobicContact CB-CD2 3.66Å; R46-Y50 HydrophobicContact CB-CE2 3.52Å; R46-Y50 HydrophobicContact CG-CE2 4.35Å; R46-Y50 VanDerWaalsContact O-CD2 3.24Å; R46-Y50 WeakPolarHBondContact O-CD2 3.27Å; R46-Y50 PolarHBondContact O-N 2.66Å; F47-Y50 PolarHBondContact O-N 3.25Å; Y50-S54 WeakPolarHBondContact O-CB 3.5Å; Y50-S54 PolarHBondContact O-N 3.14Å
51	Q	74.7	Confident	77.4	Confident	88 Å²	88	94.2 Å²	94.2	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-66.8	-43.2	173.7	-169.7	-178.1	21	0	0	110.7	F47 S54 N55	F47-Q51 WeakPolarHBondContact O-CB 3.36Å; F47-Q51 PolarHBondContact O-N 2.79Å; Q51-S54 PolarHBondContact O-N 3.22Å; Q51-N55 WeakPolarHBondContact O-CB 3.45Å; Q51-N55 PolarHBondContact O-N 2.99Å; Q51-N55 PolarHBondContact O-ND2 3.34Å
52	T	69.5	Low	77.4	Confident	72 Å²	72	94.3 Å²	94.3	44%	0.442	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-49.5	175.3	-57.7	0	0	0	0	110.9	T48 S54 N55 E56	T48-T52 WeakPolarHBondContact O-CB 3.26Å; T48-T52 PolarHBondContact O-N 3.32Å; T48-T52 PolarHBondContact O-OG1 2.83Å; T52-S54 VanDerWaalsContact C-N 3.32Å; T52-S54 PolarHBondContact O-N 2.9Å; T52-N55 CarbonylContact O-C 3.57Å; T52-N55 PolarHBondContact O-N 3.42Å; T52-N55 VanDerWaalsContact O-N 3.11Å; T52-E56 HydrophobicContact CG2-CG 4.32Å; T52-E56 WeakPolarHBondContact O-CB 3.46Å; T52-E56 WeakPolarHBondContact O-CG 3.44Å; T52-E56 PolarHBondContact O-N 3.27Å
53	R	65.1	Low	77.6	Confident	158 Å²	158	93.8 Å²	93.8	60%	0.596	46%	0.462	S	S	*	.	H	α-helix	trans	-62.4	-36.6	175.8	-72	177.9	-177.1	-165.8	1.7	113.1	D49 N57	D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.31Å; D49-R53 WeakPolarHBondContact O-CG 3.4Å; D49-R53 PolarHBondContact O-N 2.92Å; R53-N57 WeakPolarHBondContact O-CB 3.39Å; R53-N57 VanDerWaalsContact O-CG 3.31Å; R53-N57 PolarHBondContact O-N 2.89Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.42Å; R53-N57 VanDerWaalsContact O-ND2 3.13Å
54	S	68	Low	77.9	Confident	65 Å²	65	89.7 Å²	89.7	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-68.2	-38.4	174.7	-175.4	0	0	0	0	111.2	Y50 Q51 T52 R58	Y50-S54 WeakPolarHBondContact O-CB 3.5Å; Y50-S54 PolarHBondContact O-N 3.14Å; Q51-S54 PolarHBondContact O-N 3.22Å; T52-S54 VanDerWaalsContact C-N 3.32Å; T52-S54 PolarHBondContact O-N 2.9Å; S54-R58 WeakPolarHBondContact O-CB 3.32Å; S54-R58 PolarHBondContact O-N 2.89Å; S54-R58 VanDerWaalsContact O-N 3.1Å
55	N	64.8	Low	78.2	Confident	45 Å²	45	86.9 Å²	86.9	24%	0.241	44%	0.436	C	S	.	.	H	α-helix	trans	-70.2	-42.1	175.6	-76.7	-21.4	0	0	0	111	Q51 T52 N57 R58 I59	Q51-N55 WeakPolarHBondContact O-CB 3.45Å; Q51-N55 PolarHBondContact O-N 2.99Å; Q51-N55 PolarHBondContact O-ND2 3.34Å; T52-N55 CarbonylContact O-C 3.57Å; T52-N55 PolarHBondContact O-N 3.42Å; T52-N55 VanDerWaalsContact O-N 3.11Å; N55-N57 VanDerWaalsContact C-N 3.28Å; N55-N57 PolarHBondContact O-N 3.46Å; N55-R58 CarbonylContact O-C 3.5Å; N55-R58 PolarHBondContact O-N 2.85Å; N55-R58 PolarHBondContact OD1-NH2 3.4Å; N55-I59 HydrophobicContact CB-CD1 4.1Å; N55-I59 WeakPolarHBondContact O-CA 3.47Å; N55-I59 VanDerWaalsContact O-CB 3.26Å; N55-I59 WeakPolarHBondContact O-CB 3.27Å; N55-I59 WeakPolarHBondContact O-CG1 3.4Å; N55-I59 PolarHBondContact O-N 3.5Å
56	E	64.3	Low	78.8	Confident	130 Å²	130	83.4 Å²	83.4	61%	0.607	42%	0.416	S	S	*	.	H	α-helix	trans	-61	-36.3	174.6	-74.8	173.3	174.1	0	0	112.1	T52 R58	T52-E56 HydrophobicContact CG2-CG 4.32Å; T52-E56 WeakPolarHBondContact O-CB 3.46Å; T52-E56 WeakPolarHBondContact O-CG 3.44Å; T52-E56 PolarHBondContact O-N 3.27Å; E56-R58 VanDerWaalsContact C-N 3.33Å
57	N	65.3	Low	79.4	Confident	131 Å²	131	79.7 Å²	79.7	70%	0.701	41%	0.407	S	S	*	.	H	α-helix	trans	-74.3	-25.2	175	-76	-32.3	0	0	0	113.2	R53 N55	R53-N57 WeakPolarHBondContact O-CB 3.39Å; R53-N57 VanDerWaalsContact O-CG 3.31Å; R53-N57 PolarHBondContact O-N 2.89Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.42Å; R53-N57 VanDerWaalsContact O-ND2 3.13Å; N55-N57 VanDerWaalsContact C-N 3.28Å; N55-N57 PolarHBondContact O-N 3.46Å
58	R	75.1	Confident	80.1	Confident	101 Å²	101	75.9 Å²	75.9	38%	0.381	39%	0.389	S	S	.	.	H	α-helix	trans	-101.5	-31.2	-172.4	-176.2	177.1	75.6	164.1	-11.9	113.2	S54 N55 E56 E228 V229	S54-R58 WeakPolarHBondContact O-CB 3.32Å; S54-R58 PolarHBondContact O-N 2.89Å; S54-R58 VanDerWaalsContact O-N 3.1Å; N55-R58 CarbonylContact O-C 3.5Å; N55-R58 PolarHBondContact O-N 2.85Å; N55-R58 PolarHBondContact OD1-NH2 3.4Å; E56-R58 VanDerWaalsContact C-N 3.33Å; R58-E228 WeakPolarHBondContact CD-OE1 3.43Å; R58-E228 HydrophobicContact CG-CG 3.74Å; R58-E228 IonicContact CZ-OE1 3.8Å; R58-E228 IonicContact NE-OE1 3.53Å; R58-E228 PolarHBondContact NE-OE1 3.39Å; R58-E228 IonicContact NH1-OE1 2.77Å; R58-E228 PolarHBondContact NH1-OE1 2.84Å; R58-E228 VanDerWaalsContact NH1-OE1 3.11Å; R58-E228 CarbonylContact O-C 3.58Å; R58-E228 VanDerWaalsContact O-CA 3.29Å; R58-E228 WeakPolarHBondContact O-CA 3.44Å; R58-V229 WeakPolarHBondContact O-CG2 3.3Å; R58-V229 PolarHBondContact O-N 2.96Å
59	I	83.2	Confident	81.1	Confident	38 Å²	38	71.9 Å²	71.9	20%	0.195	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120	-175.5	-56	179	0	0	0	107.4	N55 E226 V227 L239	N55-I59 HydrophobicContact CB-CD1 4.1Å; N55-I59 WeakPolarHBondContact O-CA 3.47Å; N55-I59 VanDerWaalsContact O-CB 3.26Å; N55-I59 WeakPolarHBondContact O-CB 3.27Å; N55-I59 WeakPolarHBondContact O-CG1 3.4Å; N55-I59 PolarHBondContact O-N 3.5Å; I59-E226 HydrophobicContact CG2-CB 4.08Å; I59-E226 HydrophobicContact CG2-CG 4.48Å; I59-V227 WeakPolarHBondContact CA-O 3.13Å; I59-L239 HydrophobicContact CB-CD1 4.4Å; I59-L239 HydrophobicContact CD1-CD1 3.67Å; I59-L239 HydrophobicContact CG1-CD1 3.66Å; I59-L239 HydrophobicContact CG2-CD1 4Å
60	K	84.9	Confident	82.3	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.4	173.7	-70.8	-169.9	173.3	-172.4	0	109.9	E226 V227 V229	K60-E226 WeakPolarHBondContact O-CA 3.5Å; K60-V227 HydrophobicContact CB-CG2 4.11Å; K60-V227 PolarHBondContact N-O 2.68Å; K60-V227 WeakPolarHBondContact O-CG2 3.45Å; K60-V227 PolarHBondContact O-N 3.33Å; K60-V229 HydrophobicContact CD-CG1 4.26Å; K60-V229 HydrophobicContact CD-CG2 4.18Å; K60-V229 HydrophobicContact CG-CG1 4.49Å; K60-V229 HydrophobicContact CG-CG2 4.16Å
61	L	88.3	Confident	83.6	Confident	117 Å²	117	64.3 Å²	64.3	61%	0.613	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.8	165	-76.7	79.7	0	0	0	108.3	Y224 E225 E226	L61-Y224 HydrophobicContact CD2-CD2 3.92Å; L61-Y224 HydrophobicContact CD2-CE2 4.15Å; L61-Y224 HydrophobicContact CG-CD2 4.37Å; L61-E225 CarbonylContact C-O 3.53Å; L61-E225 WeakPolarHBondContact CA-O 3.41Å; L61-E226 HydrophobicContact CG-CG 4.29Å
62	V	90.1	Very high	84.7	Confident	53 Å²	53	62.2 Å²	62.2	32%	0.321	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.5	176.3	179.4	0	0	0	0	107.8	Y224 E225 V227	V62-Y224 CarbonylContact O-C 3.59Å; V62-Y224 VanDerWaalsContact O-CA 3.24Å; V62-Y224 WeakPolarHBondContact O-CA 3.48Å; V62-E225 HydrophobicContact CB-CG 3.95Å; V62-E225 PolarHBondContact N-O 2.66Å; V62-E225 PolarHBondContact O-N 2.85Å; V62-V227 HydrophobicContact CG2-CG2 3.69Å
63	P	93.8	Very high	86.1	Confident	51 Å²	51	58.8 Å²	58.8	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.2	178.1	28.8	-33.6	0	0	0	110.8	A200 A201 T222 G223	P63-A200 HydrophobicContact CB-CB 3.94Å; P63-A200 HydrophobicContact CG-CB 3.96Å; P63-A201 HydrophobicContact CB-CB 3.84Å; P63-A201 HydrophobicContact CG-CB 3.94Å; P63-T222 HydrophobicContact CB-CG2 3.91Å; P63-G223 WeakPolarHBondContact CA-O 3.42Å
64	I	92.6	Very high	87.7	Confident	40 Å²	40	56 Å²	56	21%	0.205	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.7	176.7	-54.9	172.9	0	0	0	108.1	G223 E225 E241 P244	I64-G223 PolarHBondContact N-O 3.47Å; I64-G223 PolarHBondContact O-N 3.21Å; I64-E225 HydrophobicContact CD1-CB 4.02Å; I64-E225 HydrophobicContact CD1-CG 4.09Å; I64-E225 HydrophobicContact CG1-CG 4.2Å; I64-E241 HydrophobicContact CD1-CG 3.94Å; I64-P244 HydrophobicContact CB-CG 4.45Å; I64-P244 HydrophobicContact CG2-CG 3.83Å
65	A	93.7	Very high	89.1	Confident	44 Å²	44	57.6 Å²	57.6	36%	0.364	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.9	138.8	-179.9	0	0	0	0	0	111.3	A201	A65-A201 HydrophobicContact CB-CB 3.89Å
66	P	95.4	Very high	90.6	Very high	17 Å²	17	57.2 Å²	57.2	11%	0.11	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.2	154	173.7	30.2	-34.8	0	0	0	112.2	R68 H219 P244 Q245	P66-R68 PolarHBondContact O-N 3.02Å; P66-H219 WeakPolarHBondContact CB-O 3.49Å; P66-H219 WeakPolarHBondContact CG-O 3.28Å; P66-P244 HydrophobicContact CB-CB 4.09Å; P66-Q245 WeakPolarHBondContact CB-O 3.4Å
67	S	95	Very high	92.2	Very high	34 Å²	34	52.6 Å²	52.6	24%	0.238	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-75	122.7	166.6	-172.1	0	0	0	0	108.7	K162 A246 G247	S67-K162 WeakPolarHBondContact OG-CD 3.5Å; S67-K162 WeakPolarHBondContact OG-CE 3.48Å; S67-A246 CarbonylContact O-C 3.49Å; S67-A246 VanDerWaalsContact O-CA 3.27Å; S67-A246 WeakPolarHBondContact O-CA 3.37Å; S67-A246 WeakPolarHBondContact O-CB 3.49Å; S67-G247 PolarHBondContact O-N 3.14Å
68	R	97.5	Very high	93.7	Very high	28 Å²	28	47 Å²	47	11%	0.106	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62.8	138.5	178.1	-166.4	178.1	-177.1	80	-3.9	111.1	P66 N82 E211 E215 L218	P66-R68 PolarHBondContact O-N 3.02Å; R68-N82 PolarHBondContact O-ND2 3.16Å; R68-E211 IonicContact CZ-OE2 3.31Å; R68-E211 VanDerWaalsContact CZ-OE2 3.23Å; R68-E211 IonicContact NE-OE2 3.7Å; R68-E211 PolarHBondContact NE-OE2 2.79Å; R68-E211 PolarHBondContact NH2-O 3.04Å; R68-E211 IonicContact NH2-OE2 2.78Å; R68-E211 PolarHBondContact NH2-OE2 3.02Å; R68-E215 IonicContact CZ-OE1 2.67Å; R68-E215 IonicContact CZ-OE2 3.11Å; R68-E215 VanDerWaalsContact CZ-OE2 3.22Å; R68-E215 IonicContact NH1-OE1 2.85Å; R68-E215 PolarHBondContact NH1-OE1 3.2Å; R68-E215 IonicContact NH1-OE2 3.49Å; R68-E215 PolarHBondContact NH1-OE2 3.15Å; R68-E215 IonicContact NH2-OE2 3.85Å; R68-E215 PolarHBondContact NH2-OE2 3.34Å; R68-L218 CarbonylContact C-O 3.52Å; R68-L218 VanDerWaalsContact CA-O 3.23Å; R68-L218 WeakPolarHBondContact CA-O 3.2Å; R68-L218 HydrophobicContact CG-CB 4.21Å; R68-L218 WeakPolarHBondContact CG-O 3.5Å
69	G	97.4	Very high	94.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-61.1	151.4	177.6	0	0	0	0	0	113.1	R164 L218 G247	G69-R164 PolarHBondContact O-NH1 2.98Å; G69-R164 PolarHBondContact O-NH2 3.16Å; G69-L218 PolarHBondContact N-O 2.76Å; G69-G247 WeakPolarHBondContact CA-O 3.33Å
70	I	97.8	Very high	95.6	Very high	24 Å²	24	40.5 Å²	40.5	12%	0.123	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-85.2	143.4	178.1	-52.7	-59.5	0	0	0	109.7	Y72 P78 L81 D249 I250	I70-Y72 HydrophobicContact CB-CD2 4.37Å; I70-Y72 HydrophobicContact CB-CE2 3.58Å; I70-Y72 HydrophobicContact CG2-CD1 4.32Å; I70-Y72 HydrophobicContact CG2-CD2 4.11Å; I70-Y72 HydrophobicContact CG2-CE1 3.78Å; I70-Y72 HydrophobicContact CG2-CE2 3.54Å; I70-Y72 HydrophobicContact CG2-CG 4.48Å; I70-P78 HydrophobicContact CG2-CB 3.94Å; I70-L81 HydrophobicContact CD1-CD2 4.37Å; I70-L81 HydrophobicContact CG2-CD2 4.16Å; I70-D249 PolarHBondContact N-OD1 3.05Å; I70-D249 CarbonylContact O-C 3.57Å; I70-D249 VanDerWaalsContact O-CA 3.29Å; I70-D249 WeakPolarHBondContact O-CA 3.48Å; I70-I250 PolarHBondContact O-N 3.38Å
71	I	98.7	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.1	175.9	-54.3	175.9	0	0	0	107.8	P78 L79 A80 I176 I210 E211 L218 I250 L252	I71-P78 CarbonylContact O-C 3.48Å; I71-L79 HydrophobicContact CG2-CB 4.45Å; I71-L79 PolarHBondContact O-N 2.86Å; I71-A80 HydrophobicContact CB-CB 3.93Å; I71-A80 HydrophobicContact CD1-CB 3.77Å; I71-A80 HydrophobicContact CG1-CB 3.95Å; I71-A80 PolarHBondContact N-O 3Å; I71-A80 PolarHBondContact O-N 3.31Å; I71-I176 HydrophobicContact CD1-CG2 4.18Å; I71-I176 HydrophobicContact CG2-CD1 3.9Å; I71-I210 HydrophobicContact CD1-CG2 3.89Å; I71-I210 HydrophobicContact CG2-CG2 4.39Å; I71-E211 HydrophobicContact CD1-CG 4.01Å; I71-L218 HydrophobicContact CD1-CD1 4Å; I71-L218 HydrophobicContact CD1-CD2 4.47Å; I71-L218 HydrophobicContact CG1-CD1 4.35Å; I71-L218 HydrophobicContact CG1-CD2 3.93Å; I71-I250 HydrophobicContact CB-CD1 4.45Å; I71-I250 HydrophobicContact CB-CG1 4.11Å; I71-I250 HydrophobicContact CD1-CD1 4.26Å; I71-I250 HydrophobicContact CG1-CD1 3.83Å; I71-I250 HydrophobicContact CG1-CG1 3.83Å; I71-I250 HydrophobicContact CG2-CD1 4.1Å; I71-I250 HydrophobicContact CG2-CG1 3.93Å; I71-L252 HydrophobicContact CG2-CD1 3.59Å; I71-L252 HydrophobicContact CG2-CG 3.87Å
72	Y	98.6	Very high	96.5	Very high	44 Å²	44	32.5 Å²	32.5	17%	0.173	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.6	178.2	-59.6	-87.3	0	0	0	111.4	I70 G76 I77 P78 D249 I250 Y251 L252	I70-Y72 HydrophobicContact CB-CD2 4.37Å; I70-Y72 HydrophobicContact CB-CE2 3.58Å; I70-Y72 HydrophobicContact CG2-CD1 4.32Å; I70-Y72 HydrophobicContact CG2-CD2 4.11Å; I70-Y72 HydrophobicContact CG2-CE1 3.78Å; I70-Y72 HydrophobicContact CG2-CE2 3.54Å; I70-Y72 HydrophobicContact CG2-CG 4.48Å; Y72-G76 WeakPolarHBondContact CD1-O 3.43Å; Y72-I77 CarbonylContact C-O 3.57Å; Y72-I77 WeakPolarHBondContact CA-O 3.48Å; Y72-P78 HydrophobicContact CD1-CB 3.91Å; Y72-P78 HydrophobicContact CE1-CB 3.78Å; Y72-P78 HydrophobicContact CE1-CG 4.45Å; Y72-D249 HydrophobicContact CD2-CB 4.38Å; Y72-D249 HydrophobicContact CE2-CB 3.89Å; Y72-D249 WeakPolarHBondContact CE2-OD2 3.33Å; Y72-I250 PolarHBondContact N-O 3.42Å; Y72-Y251 HydrophobicContact CD2-CD1 4.37Å; Y72-Y251 AromaticContact CD2-CE1 3.97Å; Y72-Y251 HydrophobicContact CD2-CE1 3.97Å; Y72-Y251 HydrophobicContact CD2-CE2 4.1Å; Y72-Y251 AromaticContact CD2-CZ 3.82Å; Y72-Y251 HydrophobicContact CG-CD1 4.29Å; Y72-Y251 AromaticContact CG-CE1 3.98Å; Y72-Y251 HydrophobicContact CG-CE1 3.98Å; Y72-L252 WeakPolarHBondContact O-CB 3.48Å; Y72-L252 WeakPolarHBondContact O-CG 3.12Å; Y72-L252 PolarHBondContact O-N 2.73Å
73	D	98.6	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.			trans	-79.3	-177.7	165.7	90.5	-23	0	0	0	111.5	N75 G76 I77 L79 L252 L254 L256	D73-N75 PolarHBondContact O-N 2.86Å; D73-N75 VanDerWaalsContact O-N 3.15Å; D73-N75 VanDerWaalsContact OD1-CA 3.31Å; D73-N75 WeakPolarHBondContact OD1-CA 3.4Å; D73-N75 WeakPolarHBondContact OD1-CB 3.42Å; D73-N75 PolarHBondContact OD1-N 3.29Å; D73-G76 PolarHBondContact O-N 2.85Å; D73-G76 PolarHBondContact OD1-N 3.45Å; D73-G76 VanDerWaalsContact OD1-N 3.09Å; D73-I77 PolarHBondContact N-O 2.9Å; D73-I77 WeakPolarHBondContact OD1-CB 3.41Å; D73-I77 PolarHBondContact OD1-N 3.41Å; D73-L79 HydrophobicContact CB-CD1 3.79Å; D73-L79 HydrophobicContact CB-CD2 3.98Å; D73-L79 HydrophobicContact CB-CG 4.02Å; D73-L252 CarbonylContact C-O 3.56Å; D73-L254 WeakPolarHBondContact CB-O 3.28Å; D73-L256 HydrophobicContact CB-CB 4.49Å; D73-L256 WeakPolarHBondContact OD2-CB 3.4Å; D73-L256 PolarHBondContact OD2-N 3.22Å; D73-L256 VanDerWaalsContact OD2-N 3.16Å
74	R	97.9	Very high	96.3	Very high	101 Å²	101	35.9 Å²	35.9	38%	0.381	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.8	-179.3	73.3	177.5	-65.1	157.5	3.9	114.2	L252 L254 D255	R74-L252 VanDerWaalsContact CA-O 3.22Å; R74-L252 WeakPolarHBondContact CA-O 3.46Å; R74-L252 WeakPolarHBondContact CB-O 2.94Å; R74-L252 PolarHBondContact N-O 2.86Å; R74-L254 WeakPolarHBondContact CB-O 3.44Å; R74-L254 WeakPolarHBondContact CG-O 3.24Å; R74-L254 PolarHBondContact N-O 3.27Å; R74-D255 HydrophobicContact CG-CB 4.38Å
75	N	97.5	Very high	96.1	Very high	98 Å²	98	35.7 Å²	35.7	52%	0.524	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.6	-177.8	-58.3	126.8	0	0	0	112.2	D73 I77	D73-N75 PolarHBondContact O-N 2.86Å; D73-N75 VanDerWaalsContact O-N 3.15Å; D73-N75 VanDerWaalsContact OD1-CA 3.31Å; D73-N75 WeakPolarHBondContact OD1-CA 3.4Å; D73-N75 WeakPolarHBondContact OD1-CB 3.42Å; D73-N75 PolarHBondContact OD1-N 3.29Å; N75-I77 HydrophobicContact CB-CD1 4.37Å; N75-I77 HydrophobicContact CB-CG1 4.29Å
76	G	96.8	Very high	96.1	Very high	37 Å²	37	37.8 Å²	37.8	38%	0.381	19%	0.19	S	C	.	.	S	Bend	trans	82.2	13.6	-178.3	0	0	0	0	0	113.5	Y72 D73	Y72-G76 WeakPolarHBondContact CD1-O 3.43Å; D73-G76 PolarHBondContact O-N 2.85Å; D73-G76 PolarHBondContact OD1-N 3.45Å; D73-G76 VanDerWaalsContact OD1-N 3.09Å
77	I	98	Very high	96	Very high	32 Å²	32	38 Å²	38	16%	0.164	19%	0.19	C	C	.	.			trans	-82	124	178.5	-57	175.1	0	0	0	109.1	Y72 D73 N75 L79 Y168 L256	Y72-I77 CarbonylContact C-O 3.57Å; Y72-I77 WeakPolarHBondContact CA-O 3.48Å; D73-I77 PolarHBondContact N-O 2.9Å; D73-I77 WeakPolarHBondContact OD1-CB 3.41Å; D73-I77 PolarHBondContact OD1-N 3.41Å; N75-I77 HydrophobicContact CB-CD1 4.37Å; N75-I77 HydrophobicContact CB-CG1 4.29Å; I77-L79 PolarHBondContact O-N 3.14Å; I77-Y168 HydrophobicContact CG2-CE2 4.14Å; I77-Y168 WeakPolarHBondContact CG2-OH 3.43Å; I77-L256 HydrophobicContact CB-CD2 4.43Å; I77-L256 HydrophobicContact CD1-CD2 4.18Å; I77-L256 HydrophobicContact CG2-CD2 3.71Å
78	P	97.9	Very high	96.1	Very high	15 Å²	15	36.3 Å²	36.3	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117.5	-178.2	27.5	-33.4	0	0	0	112.4	I70 I71 Y72 L81 Y168 V627	I70-P78 HydrophobicContact CG2-CB 3.94Å; I71-P78 CarbonylContact O-C 3.48Å; Y72-P78 HydrophobicContact CD1-CB 3.91Å; Y72-P78 HydrophobicContact CE1-CB 3.78Å; Y72-P78 HydrophobicContact CE1-CG 4.45Å; P78-L81 HydrophobicContact CB-CD1 4.49Å; P78-L81 HydrophobicContact CB-CD2 3.5Å; P78-L81 VanDerWaalsContact CB-CD2 3.5Å; P78-L81 HydrophobicContact CB-CG 4Å; P78-L81 HydrophobicContact CG-CD1 4.44Å; P78-L81 HydrophobicContact CG-CD2 4Å; P78-L81 HydrophobicContact CG-CG 4.46Å; P78-Y168 WeakPolarHBondContact O-CE2 3.41Å; P78-V627 HydrophobicContact CG-CG1 4.49Å
79	L	98.3	Very high	96	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-29.8	-177.2	-54.5	-176.7	0	0	0	113.7	I71 D73 I77 P167 Y168 L172 I176 L252 L256	I71-L79 HydrophobicContact CG2-CB 4.45Å; I71-L79 PolarHBondContact O-N 2.86Å; D73-L79 HydrophobicContact CB-CD1 3.79Å; D73-L79 HydrophobicContact CB-CD2 3.98Å; D73-L79 HydrophobicContact CB-CG 4.02Å; I77-L79 PolarHBondContact O-N 3.14Å; L79-P167 WeakPolarHBondContact O-CD 3.21Å; L79-Y168 HydrophobicContact CD2-CD2 3.92Å; L79-Y168 HydrophobicContact CD2-CE2 3.82Å; L79-L172 HydrophobicContact CB-CD1 4.07Å; L79-L172 HydrophobicContact CD1-CD1 4.31Å; L79-L172 HydrophobicContact CD2-CD1 3.78Å; L79-L172 HydrophobicContact CG-CD1 4.28Å; L79-I176 HydrophobicContact CB-CD1 4.24Å; L79-I176 HydrophobicContact CB-CG1 4.47Å; L79-I176 HydrophobicContact CD1-CD1 3.8Å; L79-I176 HydrophobicContact CD1-CG1 4.45Å; L79-L252 HydrophobicContact CD1-CD1 4.32Å; L79-L256 HydrophobicContact CD2-CB 4.25Å; L79-L256 HydrophobicContact CD2-CD1 4.04Å; L79-L256 HydrophobicContact CD2-CD2 4.23Å; L79-L256 HydrophobicContact CD2-CG 4.4Å
80	A	98.4	Very high	95.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	113.3	176	0	0	0	0	0	110.1	I71 Y166 I176	I71-A80 HydrophobicContact CB-CB 3.93Å; I71-A80 HydrophobicContact CD1-CB 3.77Å; I71-A80 HydrophobicContact CG1-CB 3.95Å; I71-A80 PolarHBondContact N-O 3Å; I71-A80 PolarHBondContact O-N 3.31Å; A80-Y166 HydrophobicContact CB-CD1 3.92Å; A80-Y166 HydrophobicContact CB-CE1 3.64Å; A80-I176 HydrophobicContact CB-CG2 4.27Å
81	L	97.5	Very high	95.7	Very high	25 Å²	25	35.6 Å²	35.6	13%	0.131	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	165	-173.3	-70.9	170.4	0	0	0	111.3	I70 P78 R164 Y165 P167	I70-L81 HydrophobicContact CD1-CD2 4.37Å; I70-L81 HydrophobicContact CG2-CD2 4.16Å; P78-L81 HydrophobicContact CB-CD1 4.49Å; P78-L81 HydrophobicContact CB-CD2 3.5Å; P78-L81 VanDerWaalsContact CB-CD2 3.5Å; P78-L81 HydrophobicContact CB-CG 4Å; P78-L81 HydrophobicContact CG-CD1 4.44Å; P78-L81 HydrophobicContact CG-CD2 4Å; P78-L81 HydrophobicContact CG-CG 4.46Å; L81-R164 CarbonylContact O-C 3.47Å; L81-R164 WeakPolarHBondContact O-CA 3.5Å; L81-R164 WeakPolarHBondContact O-CD 3.4Å; L81-Y165 HydrophobicContact CB-CD1 4.4Å; L81-Y165 HydrophobicContact CD1-CD1 4.37Å; L81-Y165 PolarHBondContact N-O 3.13Å; L81-Y165 PolarHBondContact O-N 3.42Å; L81-P167 HydrophobicContact CD1-CG 3.74Å; L81-P167 HydrophobicContact CG-CG 4.38Å
82	N	95	Very high	95.5	Very high	37 Å²	37	35.9 Å²	35.9	20%	0.198	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	169.2	-55.4	-47.5	0	0	0	109.9	R68 K162 R163 R164	R68-N82 PolarHBondContact O-ND2 3.16Å; N82-K162 HydrophobicContact CB-CB 4.47Å; N82-R163 CarbonylContact C-O 3.57Å; N82-R163 WeakPolarHBondContact CA-O 3.44Å; N82-R164 WeakPolarHBondContact OD1-CD 3.45Å; N82-R164 PolarHBondContact OD1-NH1 3.4Å
83	R	90.9	Very high	95.1	Very high	107 Å²	107	37.9 Å²	37.9	40%	0.404	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.7	170.7	-72.4	-177.2	170.2	-179.8	-4.6	110.1	I85 K162 R163 Y165	R83-I85 PolarHBondContact O-N 2.73Å; R83-K162 WeakPolarHBondContact O-CA 3.36Å; R83-R163 PolarHBondContact N-O 2.67Å; R83-R163 PolarHBondContact O-N 2.87Å; R83-Y165 HydrophobicContact CG-CD1 4.43Å; R83-Y165 HydrophobicContact CG-CG 4.22Å; R83-Y165 VanDerWaalsContact CZ-CE2 3.48Å; R83-Y165 VanDerWaalsContact NE-CD1 3.3Å; R83-Y165 VanDerWaalsContact NH1-CE2 3.29Å; R83-Y165 PolarHBondContact NH2-OH 3.48Å
84	T	88.8	Confident	94.7	Very high	68 Å²	68	40.3 Å²	40.3	42%	0.417	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.5	171.6	-56.1	0	0	0	0	109	Y86 Y161	T84-Y86 HydrophobicContact CG2-CD1 4.49Å; T84-Y86 HydrophobicContact CG2-CD2 4.34Å; T84-Y86 HydrophobicContact CG2-CE1 4Å; T84-Y86 HydrophobicContact CG2-CE2 3.83Å; T84-Y161 WeakPolarHBondContact CA-O 3.28Å
85	I	88.6	Confident	94.4	Very high	35 Å²	35	36 Å²	36	18%	0.179	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.4	171.4	-61.6	-161.3	0	0	0	108.2	R83 N137 Y161 R163	R83-I85 PolarHBondContact O-N 2.73Å; I85-N137 WeakPolarHBondContact CG2-OD1 3.09Å; I85-Y161 PolarHBondContact N-O 3.36Å; I85-Y161 PolarHBondContact O-N 3.42Å; I85-R163 HydrophobicContact CB-CG 4.01Å; I85-R163 HydrophobicContact CD1-CB 3.87Å; I85-R163 HydrophobicContact CD1-CG 3.72Å; I85-R163 HydrophobicContact CG1-CB 3.97Å; I85-R163 HydrophobicContact CG1-CG 3.79Å
86	Y	92.5	Very high	94.1	Very high	89 Å²	89	37 Å²	37	35%	0.349	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.2	176.5	-66.7	-79.2	0	0	0	111.2	T84 N137 L138 V143 K159	T84-Y86 HydrophobicContact CG2-CD1 4.49Å; T84-Y86 HydrophobicContact CG2-CD2 4.34Å; T84-Y86 HydrophobicContact CG2-CE1 4Å; T84-Y86 HydrophobicContact CG2-CE2 3.83Å; Y86-N137 PolarHBondContact O-N 2.76Å; Y86-L138 PolarHBondContact O-N 2.88Å; Y86-V143 HydrophobicContact CD1-CG1 4.43Å; Y86-V143 HydrophobicContact CD1-CG2 4.31Å; Y86-V143 HydrophobicContact CD2-CG2 3.9Å; Y86-V143 HydrophobicContact CG-CG1 4.46Å; Y86-V143 HydrophobicContact CG-CG2 3.61Å; Y86-K159 WeakPolarHBondContact CA-O 3.43Å
87	Q	94.5	Very high	94	Very high	20 Å²	20	39 Å²	39	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.7	169.7	70.4	-177.4	33.9	0	0	110	E89 K135 T136 V158 K159 Y161	Q87-E89 PolarHBondContact NE2-OE2 2.85Å; Q87-K135 VanDerWaalsContact CA-O 3.24Å; Q87-K135 WeakPolarHBondContact CA-O 3.44Å; Q87-K135 VanDerWaalsContact CB-O 3.28Å; Q87-K135 WeakPolarHBondContact CB-O 3.47Å; Q87-T136 HydrophobicContact CB-CG2 4.25Å; Q87-V158 WeakPolarHBondContact O-CA 3.38Å; Q87-K159 PolarHBondContact N-O 3.4Å; Q87-K159 PolarHBondContact O-N 2.92Å; Q87-Y161 HydrophobicContact CG-CD2 3.86Å; Q87-Y161 HydrophobicContact CG-CE2 3.61Å; Q87-Y161 VanDerWaalsContact NE2-CE2 3.33Å
88	I	96.3	Very high	93.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.3	162.8	50.3	156	0	0	0	109.3	L105 V109 V134 K135 L138 F146 V156 E157 V158	I88-L105 HydrophobicContact CD1-CD1 3.87Å; I88-L105 HydrophobicContact CD1-CD2 4.05Å; I88-L105 HydrophobicContact CD1-CG 4.47Å; I88-V109 HydrophobicContact CD1-CG1 4.47Å; I88-V109 HydrophobicContact CD1-CG2 3.75Å; I88-V134 HydrophobicContact CD1-CB 3.95Å; I88-V134 HydrophobicContact CD1-CG1 3.85Å; I88-V134 HydrophobicContact CG1-CB 4.08Å; I88-V134 HydrophobicContact CG1-CG1 4.49Å; I88-V134 PolarHBondContact O-N 3.21Å; I88-K135 HydrophobicContact CD1-CB 4.19Å; I88-K135 HydrophobicContact CG1-CB 3.82Å; I88-K135 PolarHBondContact N-O 2.89Å; I88-K135 PolarHBondContact O-N 2.93Å; I88-L138 HydrophobicContact CB-CD1 4.39Å; I88-L138 HydrophobicContact CG1-CD1 4.29Å; I88-L138 HydrophobicContact CG2-CD1 3.84Å; I88-F146 HydrophobicContact CG2-CD1 3.94Å; I88-F146 HydrophobicContact CG2-CD2 3.76Å; I88-F146 HydrophobicContact CG2-CE1 3.98Å; I88-F146 HydrophobicContact CG2-CE2 3.8Å; I88-F146 HydrophobicContact CG2-CG 3.82Å; I88-F146 HydrophobicContact CG2-CZ 3.91Å; I88-V156 HydrophobicContact CB-CG1 4.22Å; I88-E157 CarbonylContact C-O 3.58Å; I88-E157 VanDerWaalsContact CA-O 3.28Å; I88-E157 WeakPolarHBondContact CA-O 3.25Å; I88-V158 HydrophobicContact CG2-CB 4.07Å; I88-V158 HydrophobicContact CG2-CG2 4.34Å
89	E	95.9	Very high	93.8	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.1	-179.4	56.9	177.9	-130.4	0	0	111.1	Q87 S131 I132 V156 E157 K159 Y161	Q87-E89 PolarHBondContact NE2-OE2 2.85Å; E89-S131 WeakPolarHBondContact CG-OG 3.31Å; E89-S131 PolarHBondContact OE1-OG 3.35Å; E89-I132 CarbonylContact C-O 3.3Å; E89-I132 VanDerWaalsContact CA-O 3.25Å; E89-I132 WeakPolarHBondContact CA-O 3.41Å; E89-I132 WeakPolarHBondContact CB-O 3.24Å; E89-V156 WeakPolarHBondContact O-CA 3.11Å; E89-E157 HydrophobicContact CG-CB 4.46Å; E89-E157 PolarHBondContact N-O 3.3Å; E89-E157 PolarHBondContact O-N 2.91Å; E89-K159 HydrophobicContact CG-CD 4.47Å; E89-K159 WeakPolarHBondContact OE1-CD 3.44Å; E89-K159 WeakPolarHBondContact OE1-CE 3.41Å; E89-K159 IonicContact OE1-NZ 3.69Å; E89-K159 PolarHBondContact OE1-NZ 3.49Å; E89-Y161 PolarHBondContact OE1-OH 2.97Å; E89-Y161 PolarHBondContact OE2-OH 3.27Å
90	M	94.9	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.5	176.5	69.8	174.3	78.4	0	0	111.4	P92 V95 V98 T101 L102 L105 F119 I132 V134 G155 V156	M90-P92 WeakPolarHBondContact O-CD 3.28Å; M90-V95 HydrophobicContact CB-CG2 3.91Å; M90-V95 HydrophobicContact CG-CG2 4.35Å; M90-V95 HydrophobicContact SD-CB 4.45Å; M90-V95 HydrophobicContact SD-CG1 4.48Å; M90-V95 HydrophobicContact SD-CG2 3.9Å; M90-V98 HydrophobicContact SD-CG1 4.25Å; M90-T101 HydrophobicContact CE-CG2 3.75Å; M90-L102 HydrophobicContact CE-CD2 3.92Å; M90-L105 HydrophobicContact CE-CD1 4.31Å; M90-F119 HydrophobicContact CG-CE2 3.76Å; M90-F119 HydrophobicContact CG-CZ 4.03Å; M90-F119 HydrophobicContact SD-CE2 4.14Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; M90-I132 PolarHBondContact N-O 3.04Å; M90-I132 PolarHBondContact O-N 3.11Å; M90-V134 HydrophobicContact CB-CG2 4.28Å; M90-V134 HydrophobicContact CE-CB 4.48Å; M90-V134 HydrophobicContact CE-CG1 4.25Å; M90-V134 HydrophobicContact CE-CG2 3.41Å; M90-V134 VanDerWaalsContact CE-CG2 3.41Å; M90-V134 HydrophobicContact CG-CG2 3.71Å; M90-V134 HydrophobicContact SD-CG2 4.29Å; M90-G155 WeakPolarHBondContact CB-O 3.15Å; M90-V156 HydrophobicContact CB-CG2 4.21Å; M90-V156 HydrophobicContact CE-CG2 3.92Å
91	M	94.2	Very high	93.7	Very high	29 Å²	29	48.3 Å²	48.3	14%	0.143	24%	0.235	C	C	.	.			trans	-88.3	110.2	161.3	-66.1	178.3	65.6	0	0	107.5	E93 K94 F129	M91-E93 PolarHBondContact O-N 3.22Å; M91-K94 HydrophobicContact CB-CB 4.17Å; M91-K94 HydrophobicContact CB-CD 4.11Å; M91-K94 HydrophobicContact CB-CG 4.03Å; M91-K94 HydrophobicContact CE-CD 4.28Å; M91-K94 HydrophobicContact CG-CD 4.47Å; M91-K94 PolarHBondContact O-N 3.34Å; M91-K94 HydrophobicContact SD-CD 3.73Å; M91-K94 WeakPolarHBondContact SD-CE 3.24Å; M91-K94 HydrophobicContact SD-CG 4.47Å; M91-K94 PolarHBondContact SD-NZ 3.23Å; M91-F129 HydrophobicContact CE-CB 3.69Å; M91-F129 HydrophobicContact CE-CD1 4.3Å; M91-F129 HydrophobicContact CE-CG 4.5Å; M91-F129 WeakPolarHBondContact CE-O 3.4Å
92	P	93.8	Very high	93.7	Very high	7 Å²	7	47.2 Å²	47.2	5%	0.045	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.2	-30.4	-172.8	-26.1	34.5	0	0	0	113.6	M90 K94 V95 V98 F119 R123 I132	M90-P92 WeakPolarHBondContact O-CD 3.28Å; P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 2.87Å; P92-V95 PolarHBondContact O-N 3.45Å; P92-V98 HydrophobicContact CB-CG2 4.13Å; P92-F119 HydrophobicContact CG-CZ 4.17Å; P92-R123 HydrophobicContact CG-CG 4.32Å; P92-I132 HydrophobicContact CG-CD1 3.6Å
93	E	91.2	Very high	93.8	Very high	85 Å²	85	48.9 Å²	48.9	40%	0.397	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-71.3	-18.9	177.6	-56.9	86.5	167.8	0	0	113.5	M91 R128 F129	M91-E93 PolarHBondContact O-N 3.22Å; E93-R128 VanDerWaalsContact OE1-CG 3.28Å; E93-R128 WeakPolarHBondContact OE1-CG 3.43Å; E93-F129 HydrophobicContact CB-CD1 3.94Å; E93-F129 HydrophobicContact CB-CE1 3.83Å; E93-F129 HydrophobicContact CG-CD1 3.98Å; E93-F129 HydrophobicContact CG-CE1 3.94Å; E93-F129 PolarHBondContact OE1-N 2.79Å
94	K	89.1	Confident	94.1	Very high	51 Å²	51	45.1 Å²	45.1	22%	0.222	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-94.7	-5.6	177.2	-66.1	-172.6	-178.3	171.3	0	113.3	M91 P92 G233 R234	M91-K94 HydrophobicContact CB-CB 4.17Å; M91-K94 HydrophobicContact CB-CD 4.11Å; M91-K94 HydrophobicContact CB-CG 4.03Å; M91-K94 HydrophobicContact CE-CD 4.28Å; M91-K94 HydrophobicContact CG-CD 4.47Å; M91-K94 PolarHBondContact O-N 3.34Å; M91-K94 HydrophobicContact SD-CD 3.73Å; M91-K94 WeakPolarHBondContact SD-CE 3.24Å; M91-K94 HydrophobicContact SD-CG 4.47Å; M91-K94 PolarHBondContact SD-NZ 3.23Å; P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 2.87Å; K94-G233 WeakPolarHBondContact CE-O 3.28Å; K94-G233 PolarHBondContact NZ-O 2.9Å; K94-R234 PolarHBondContact O-NH2 3.26Å
95	V	92.5	Very high	94.5	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.211	C	C	.	.			trans	-103.4	120.5	-179.6	177.7	0	0	0	0	109.2	M90 P92 N97 V98 T101 V156	M90-V95 HydrophobicContact CB-CG2 3.91Å; M90-V95 HydrophobicContact CG-CG2 4.35Å; M90-V95 HydrophobicContact SD-CB 4.45Å; M90-V95 HydrophobicContact SD-CG1 4.48Å; M90-V95 HydrophobicContact SD-CG2 3.9Å; P92-V95 PolarHBondContact O-N 3.45Å; V95-N97 PolarHBondContact O-N 3.39Å; V95-V98 HydrophobicContact CB-CG2 4.12Å; V95-V98 HydrophobicContact CG1-CG2 4.15Å; V95-T101 HydrophobicContact CG1-CG2 4.31Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.48Å; V95-V156 HydrophobicContact CG2-CG2 4.48Å
96	D	90.9	Very high	94.9	Very high	119 Å²	119	44.1 Å²	44.1	64%	0.636	22%	0.217	S	C	*	.	S	Bend	trans	-64.2	-39.6	-171.9	-63.2	-59.7	0	0	0	112.4	R232 R234	D96-R232 IonicContact OD1-CZ 2.73Å; D96-R232 IonicContact OD1-NH1 3.77Å; D96-R232 PolarHBondContact OD1-NH1 2.73Å; D96-R232 IonicContact OD2-NH1 3.97Å; D96-R234 IonicContact OD2-NH2 3.66Å
97	N	95.1	Very high	95.1	Very high	79 Å²	79	44 Å²	44	42%	0.422	23%	0.229	S	C	.	.			trans	-138.7	89.7	175.8	-170.9	-25.8	0	0	0	111.6	V95 Q99 Q100 T101	V95-N97 PolarHBondContact O-N 3.39Å; N97-Q99 VanDerWaalsContact C-N 3.33Å; N97-Q99 PolarHBondContact O-N 3.22Å; N97-Q99 PolarHBondContact OD1-N 3.38Å; N97-Q100 HydrophobicContact CB-CB 4Å; N97-Q100 VanDerWaalsContact CG-CB 3.49Å; N97-Q100 PolarHBondContact ND2-OE1 2.98Å; N97-Q100 PolarHBondContact O-N 3.17Å; N97-Q100 PolarHBondContact OD1-N 2.87Å; N97-Q100 VanDerWaalsContact OD1-N 3.15Å; N97-T101 PolarHBondContact O-N 2.91Å; N97-T101 PolarHBondContact O-OG1 2.93Å; N97-T101 VanDerWaalsContact O-OG1 3.06Å
98	V	95.4	Very high	95.2	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-44.1	-175.9	176.3	0	0	0	0	112.5	M90 P92 V95 T101 L102 F119	M90-V98 HydrophobicContact SD-CG1 4.25Å; P92-V98 HydrophobicContact CB-CG2 4.13Å; V95-V98 HydrophobicContact CB-CG2 4.12Å; V95-V98 HydrophobicContact CG1-CG2 4.15Å; V98-T101 WeakPolarHBondContact O-CB 3.43Å; V98-T101 PolarHBondContact O-N 3.15Å; V98-L102 HydrophobicContact CG1-CD1 4.03Å; V98-L102 HydrophobicContact CG1-CG 4.35Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.47Å; V98-F119 HydrophobicContact CG1-CE1 4.02Å; V98-F119 HydrophobicContact CG1-CZ 4.2Å
99	Q	96.2	Very high	95.2	Very high	74 Å²	74	43.3 Å²	43.3	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-44.5	-176.1	-174.3	57.7	46.8	0	0	111.4	N97 T101 L102 D103	N97-Q99 VanDerWaalsContact C-N 3.33Å; N97-Q99 PolarHBondContact O-N 3.22Å; N97-Q99 PolarHBondContact OD1-N 3.38Å; Q99-T101 VanDerWaalsContact C-N 3.28Å; Q99-T101 PolarHBondContact O-N 2.91Å; Q99-L102 PolarHBondContact O-N 3.01Å; Q99-D103 PolarHBondContact NE2-OD1 3.2Å; Q99-D103 PolarHBondContact NE2-OD2 3.24Å; Q99-D103 PolarHBondContact O-N 3.37Å
100	Q	96.6	Very high	95.3	Very high	129 Å²	129	46.2 Å²	46.2	60%	0.603	24%	0.242	S	C	*	.	H	α-helix	trans	-61.1	-38.7	175.6	-173.5	179.6	10.4	0	0	111.8	N97 A104	N97-Q100 HydrophobicContact CB-CB 4Å; N97-Q100 VanDerWaalsContact CG-CB 3.49Å; N97-Q100 PolarHBondContact ND2-OE1 2.98Å; N97-Q100 PolarHBondContact O-N 3.17Å; N97-Q100 PolarHBondContact OD1-N 2.87Å; N97-Q100 VanDerWaalsContact OD1-N 3.15Å; Q100-A104 VanDerWaalsContact O-CB 3.32Å; Q100-A104 WeakPolarHBondContact O-CB 3.35Å; Q100-A104 PolarHBondContact O-N 3.46Å
101	T	97.3	Very high	95.4	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-48.7	174.5	-62.8	0	0	0	0	111.7	M90 V95 N97 V98 Q99 D103 A104 L105 F153 V156	M90-T101 HydrophobicContact CE-CG2 3.75Å; V95-T101 HydrophobicContact CG1-CG2 4.31Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.48Å; N97-T101 PolarHBondContact O-N 2.91Å; N97-T101 PolarHBondContact O-OG1 2.93Å; N97-T101 VanDerWaalsContact O-OG1 3.06Å; V98-T101 WeakPolarHBondContact O-CB 3.43Å; V98-T101 PolarHBondContact O-N 3.15Å; Q99-T101 VanDerWaalsContact C-N 3.28Å; Q99-T101 PolarHBondContact O-N 2.91Å; T101-D103 PolarHBondContact O-N 3.44Å; T101-A104 PolarHBondContact O-N 3.5Å; T101-L105 HydrophobicContact CG2-CD1 3.94Å; T101-L105 HydrophobicContact CG2-CG 4.49Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.31Å; T101-L105 PolarHBondContact O-N 2.98Å; T101-F153 HydrophobicContact CG2-CD1 4.02Å; T101-V156 HydrophobicContact CG2-CG2 3.5Å; T101-V156 VanDerWaalsContact CG2-CG2 3.5Å
102	L	97.4	Very high	95.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-45.3	179.2	-67.9	172.7	0	0	0	111.7	M90 V98 Q99 A104 L105 R106 L111 I116 F119 V134	M90-L102 HydrophobicContact CE-CD2 3.92Å; V98-L102 HydrophobicContact CG1-CD1 4.03Å; V98-L102 HydrophobicContact CG1-CG 4.35Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.47Å; Q99-L102 PolarHBondContact O-N 3.01Å; L102-A104 PolarHBondContact O-N 2.87Å; L102-L105 PolarHBondContact O-N 2.84Å; L102-R106 PolarHBondContact O-N 2.99Å; L102-L111 HydrophobicContact CB-CD2 4.37Å; L102-L111 HydrophobicContact CD2-CD2 4Å; L102-L111 WeakPolarHBondContact O-CD2 3.07Å; L102-I116 HydrophobicContact CB-CD1 4.31Å; L102-I116 HydrophobicContact CB-CG1 4.44Å; L102-I116 HydrophobicContact CD1-CG2 4.23Å; L102-I116 HydrophobicContact CD2-CG1 4.48Å; L102-F119 HydrophobicContact CD1-CD1 4.02Å; L102-F119 HydrophobicContact CD1-CE1 3.95Å; L102-F119 HydrophobicContact CD2-CD1 4.22Å; L102-F119 HydrophobicContact CD2-CE1 4.33Å; L102-V134 HydrophobicContact CD2-CG1 3.74Å
103	D	97.1	Very high	95.6	Very high	72 Å²	72	53 Å²	53	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-36.9	-179.4	-69.5	-39.1	0	0	0	112.4	Q99 T101 L105 R106	Q99-D103 PolarHBondContact NE2-OD1 3.2Å; Q99-D103 PolarHBondContact NE2-OD2 3.24Å; Q99-D103 PolarHBondContact O-N 3.37Å; T101-D103 PolarHBondContact O-N 3.44Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-R106 WeakPolarHBondContact O-CB 3.43Å; D103-R106 WeakPolarHBondContact O-CG 3.46Å; D103-R106 PolarHBondContact O-N 3.3Å; D103-R106 IonicContact OD1-CZ 3.84Å; D103-R106 IonicContact OD1-NE 2.68Å; D103-R106 PolarHBondContact OD1-NE 2.96Å; D103-R106 IonicContact OD1-NH2 3.13Å
104	A	97.2	Very high	95.7	Very high	29 Å²	29	55.3 Å²	55.3	24%	0.24	30%	0.296	C	S	.	.	H	α-helix	trans	-71.3	-27.1	175.4	0	0	0	0	0	113.3	Q100 T101 L102 R106 S107 F153	Q100-A104 VanDerWaalsContact O-CB 3.32Å; Q100-A104 WeakPolarHBondContact O-CB 3.35Å; Q100-A104 PolarHBondContact O-N 3.46Å; T101-A104 PolarHBondContact O-N 3.5Å; L102-A104 PolarHBondContact O-N 2.87Å; A104-R106 VanDerWaalsContact C-N 3.26Å; A104-R106 PolarHBondContact O-N 3.38Å; A104-S107 PolarHBondContact O-OG 2.87Å; A104-F153 HydrophobicContact CB-CE1 3.71Å; A104-F153 HydrophobicContact CB-CZ 4.12Å
105	L	97.7	Very high	95.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.8	-20.2	176.1	-77	169	0	0	0	113.2	I88 M90 T101 L102 D103 S107 V108 V109 L111 V134 F146 F153	I88-L105 HydrophobicContact CD1-CD1 3.87Å; I88-L105 HydrophobicContact CD1-CD2 4.05Å; I88-L105 HydrophobicContact CD1-CG 4.47Å; M90-L105 HydrophobicContact CE-CD1 4.31Å; T101-L105 HydrophobicContact CG2-CD1 3.94Å; T101-L105 HydrophobicContact CG2-CG 4.49Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.31Å; T101-L105 PolarHBondContact O-N 2.98Å; L102-L105 PolarHBondContact O-N 2.84Å; D103-L105 VanDerWaalsContact C-N 3.35Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.27Å; L105-V108 PolarHBondContact O-N 3.37Å; L105-V108 VanDerWaalsContact O-N 3.09Å; L105-V109 HydrophobicContact CB-CG2 4.24Å; L105-V109 HydrophobicContact CD2-CG2 4.4Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.89Å; L105-L111 HydrophobicContact CB-CB 4.28Å; L105-L111 HydrophobicContact CB-CD2 3.93Å; L105-V134 HydrophobicContact CD1-CG1 4.09Å; L105-F146 HydrophobicContact CD2-CD2 3.9Å; L105-F146 HydrophobicContact CD2-CE2 3.79Å; L105-F153 HydrophobicContact CD2-CD1 4.29Å; L105-F153 HydrophobicContact CD2-CD2 4.12Å; L105-F153 HydrophobicContact CD2-CE1 4.06Å; L105-F153 HydrophobicContact CD2-CE2 3.9Å; L105-F153 HydrophobicContact CD2-CG 4.3Å; L105-F153 HydrophobicContact CD2-CZ 3.86Å; L105-F153 HydrophobicContact CG-CD1 4.34Å; L105-F153 HydrophobicContact CG-CE1 4.02Å; L105-F153 HydrophobicContact CG-CZ 4.21Å
106	R	97.7	Very high	96.1	Very high	82 Å²	82	54.2 Å²	54.2	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-54.8	-40.6	176.1	-59.5	-179.1	177.3	-91.6	16.1	112.6	L102 D103 A104 D110 L111 D113	L102-R106 PolarHBondContact O-N 2.99Å; D103-R106 WeakPolarHBondContact O-CB 3.43Å; D103-R106 WeakPolarHBondContact O-CG 3.46Å; D103-R106 PolarHBondContact O-N 3.3Å; D103-R106 IonicContact OD1-CZ 3.84Å; D103-R106 IonicContact OD1-NE 2.68Å; D103-R106 PolarHBondContact OD1-NE 2.96Å; D103-R106 IonicContact OD1-NH2 3.13Å; A104-R106 VanDerWaalsContact C-N 3.26Å; A104-R106 PolarHBondContact O-N 3.38Å; R106-D110 VanDerWaalsContact O-CA 3.27Å; R106-D110 WeakPolarHBondContact O-CA 3.24Å; R106-D110 PolarHBondContact O-N 3Å; R106-L111 HydrophobicContact CG-CB 4.25Å; R106-L111 WeakPolarHBondContact CG-O 3.34Å; R106-D113 IonicContact CZ-OD1 3.52Å; R106-D113 IonicContact NH1-OD1 2.77Å; R106-D113 PolarHBondContact NH1-OD1 3.38Å; R106-D113 IonicContact NH2-OD1 3.39Å; R106-D113 PolarHBondContact NH2-OD1 2.79Å
107	S	96	Very high	96.2	Very high	87 Å²	87	51.2 Å²	51.2	61%	0.608	28%	0.284	S	S	*	.	H	α-helix	trans	-82.8	-16.2	180	62.9	0	0	0	0	114.1	A104 L105	A104-S107 PolarHBondContact O-OG 2.87Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.27Å
108	V	96.8	Very high	96	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-97.2	-45.1	-172.7	-179.4	0	0	0	0	111.6	L105 R145 F146 N149 F153	L105-V108 PolarHBondContact O-N 3.37Å; L105-V108 VanDerWaalsContact O-N 3.09Å; V108-R145 HydrophobicContact CG1-CB 4.42Å; V108-R145 WeakPolarHBondContact CG1-O 3.43Å; V108-R145 WeakPolarHBondContact O-CB 3.39Å; V108-R145 PolarHBondContact O-NE 3.42Å; V108-F146 HydrophobicContact CG1-CB 4.3Å; V108-F146 HydrophobicContact CG1-CD2 4.43Å; V108-N149 HydrophobicContact CG1-CB 3.99Å; V108-N149 HydrophobicContact CG2-CB 4.42Å; V108-F153 HydrophobicContact CG1-CE2 4.42Å; V108-F153 HydrophobicContact CG2-CE2 4Å; V108-F153 HydrophobicContact CG2-CZ 3.97Å
109	V	96.8	Very high	96	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-121.6	13.7	-175.7	-61	0	0	0	0	113.2	I88 L105 L111 K135 L138 Q142 F146	I88-V109 HydrophobicContact CD1-CG1 4.47Å; I88-V109 HydrophobicContact CD1-CG2 3.75Å; L105-V109 HydrophobicContact CB-CG2 4.24Å; L105-V109 HydrophobicContact CD2-CG2 4.4Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.89Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 HydrophobicContact CG2-CB 4.16Å; V109-L111 PolarHBondContact O-N 2.91Å; V109-K135 HydrophobicContact CB-CD 4.3Å; V109-K135 HydrophobicContact CG2-CD 4.02Å; V109-K135 VanDerWaalsContact O-CD 3.27Å; V109-K135 WeakPolarHBondContact O-CD 3.34Å; V109-K135 WeakPolarHBondContact O-CE 3.48Å; V109-L138 HydrophobicContact CB-CD2 4.07Å; V109-L138 HydrophobicContact CG1-CD2 4.43Å; V109-Q142 PolarHBondContact O-NE2 3.02Å; V109-F146 HydrophobicContact CG1-CB 3.75Å; V109-F146 HydrophobicContact CG1-CD2 4.05Å; V109-F146 HydrophobicContact CG1-CG 4.3Å
110	D	96.9	Very high	95.9	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	29%	0.289	S	S	.	.			trans	54.8	47.5	-173.3	-40	-43.5	0	0	0	111.8	R106 T112 K135 Q142 R145	R106-D110 VanDerWaalsContact O-CA 3.27Å; R106-D110 WeakPolarHBondContact O-CA 3.24Å; R106-D110 PolarHBondContact O-N 3Å; D110-T112 PolarHBondContact O-N 3.13Å; D110-K135 PolarHBondContact O-NZ 3Å; D110-Q142 PolarHBondContact OD2-NE2 2.75Å; D110-R145 VanDerWaalsContact CG-NH2 3.26Å; D110-R145 IonicContact OD1-CZ 3.57Å; D110-R145 IonicContact OD1-NH1 3.46Å; D110-R145 PolarHBondContact OD1-NH1 2.86Å; D110-R145 IonicContact OD1-NH2 3.99Å; D110-R145 PolarHBondContact OD1-NH2 3.24Å; D110-R145 IonicContact OD2-CZ 2.75Å; D110-R145 IonicContact OD2-NH1 3.9Å; D110-R145 IonicContact OD2-NH2 2.75Å; D110-R145 PolarHBondContact OD2-NH2 3.46Å
111	L	96.8	Very high	95.7	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	29%	0.285	C	S	.	.			trans	-66.4	121.9	177.9	-165.7	71.5	0	0	0	110.5	L102 L105 R106 V109 D115 I116 V134 K135	L102-L111 HydrophobicContact CB-CD2 4.37Å; L102-L111 HydrophobicContact CD2-CD2 4Å; L102-L111 WeakPolarHBondContact O-CD2 3.07Å; L105-L111 HydrophobicContact CB-CB 4.28Å; L105-L111 HydrophobicContact CB-CD2 3.93Å; R106-L111 HydrophobicContact CG-CB 4.25Å; R106-L111 WeakPolarHBondContact CG-O 3.34Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 HydrophobicContact CG2-CB 4.16Å; V109-L111 PolarHBondContact O-N 2.91Å; L111-D115 HydrophobicContact CD1-CB 3.46Å; L111-D115 VanDerWaalsContact CD1-CB 3.46Å; L111-D115 HydrophobicContact CG-CB 4.1Å; L111-I116 HydrophobicContact CD2-CD1 4.07Å; L111-I116 HydrophobicContact CD2-CG1 3.75Å; L111-I116 HydrophobicContact CG-CD1 4.46Å; L111-I116 HydrophobicContact CG-CG1 4.11Å; L111-V134 HydrophobicContact CD1-CG1 3.9Å; L111-V134 HydrophobicContact CD2-CG1 4.01Å; L111-K135 HydrophobicContact CD1-CB 3.75Å; L111-K135 HydrophobicContact CD1-CD 4.15Å; L111-K135 HydrophobicContact CD1-CG 4.33Å
112	T	96.5	Very high	95.3	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.38	30%	0.296	S	S	.	.			trans	-94.8	167.4	-177.1	66.4	0	0	0	0	111.7	D110 D114 D115 I116	D110-T112 PolarHBondContact O-N 3.13Å; T112-D114 PolarHBondContact O-N 2.96Å; T112-D115 WeakPolarHBondContact CB-OD2 3.43Å; T112-D115 PolarHBondContact N-OD2 2.84Å; T112-D115 PolarHBondContact O-N 2.93Å; T112-D115 PolarHBondContact OG1-N 2.89Å; T112-D115 VanDerWaalsContact OG1-N 3.14Å; T112-D115 PolarHBondContact OG1-OD2 3.1Å; T112-I116 PolarHBondContact O-N 2.75Å
113	D	95.9	Very high	95.1	Very high	109 Å²	109	59.8 Å²	59.8	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-33.9	172.6	-69.7	-26.6	0	0	0	112	R106 I116 A117	R106-D113 IonicContact CZ-OD1 3.52Å; R106-D113 IonicContact NH1-OD1 2.77Å; R106-D113 PolarHBondContact NH1-OD1 3.38Å; R106-D113 IonicContact NH2-OD1 3.39Å; R106-D113 PolarHBondContact NH2-OD1 2.79Å; D113-I116 PolarHBondContact O-N 2.92Å; D113-A117 WeakPolarHBondContact O-CB 3.15Å; D113-A117 PolarHBondContact O-N 3.35Å
114	D	93.4	Very high	94.8	Very high	133 Å²	133	60.7 Å²	60.7	71%	0.711	33%	0.333	S	S	*	.	H	α-helix	trans	-65.8	-41.5	175.8	-70.8	-20.1	0	0	0	111.7	T112 I116 A117 A118	T112-D114 PolarHBondContact O-N 2.96Å; D114-I116 VanDerWaalsContact C-N 3.31Å; D114-I116 PolarHBondContact O-N 2.78Å; D114-A117 PolarHBondContact O-N 2.99Å; D114-A118 WeakPolarHBondContact O-CB 3.47Å; D114-A118 PolarHBondContact O-N 3.49Å
115	D	93.6	Very high	94.3	Very high	28 Å²	28	67.4 Å²	67.4	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-44.7	173.8	-64.3	-54	0	0	0	110.8	L111 T112 A117 A118 F119 K135	L111-D115 HydrophobicContact CD1-CB 3.46Å; L111-D115 VanDerWaalsContact CD1-CB 3.46Å; L111-D115 HydrophobicContact CG-CB 4.1Å; T112-D115 WeakPolarHBondContact CB-OD2 3.43Å; T112-D115 PolarHBondContact N-OD2 2.84Å; T112-D115 PolarHBondContact O-N 2.93Å; T112-D115 PolarHBondContact OG1-N 2.89Å; T112-D115 VanDerWaalsContact OG1-N 3.14Å; T112-D115 PolarHBondContact OG1-OD2 3.1Å; D115-A117 PolarHBondContact O-N 2.92Å; D115-A118 PolarHBondContact O-N 2.88Å; D115-F119 WeakPolarHBondContact O-CB 3.27Å; D115-F119 PolarHBondContact O-N 2.93Å; D115-K135 IonicContact OD1-NZ 3.71Å; D115-K135 PolarHBondContact OD1-NZ 2.85Å; D115-K135 IonicContact OD2-NZ 3.22Å; D115-K135 PolarHBondContact OD2-NZ 3.35Å
116	I	95.8	Very high	93.8	Very high	10 Å²	10	68.7 Å²	68.7	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-38.8	179.3	-68.1	167.1	0	0	0	111.3	L102 L111 T112 D113 D114 F119 R120	L102-I116 HydrophobicContact CB-CD1 4.31Å; L102-I116 HydrophobicContact CB-CG1 4.44Å; L102-I116 HydrophobicContact CD1-CG2 4.23Å; L102-I116 HydrophobicContact CD2-CG1 4.48Å; L111-I116 HydrophobicContact CD2-CD1 4.07Å; L111-I116 HydrophobicContact CD2-CG1 3.75Å; L111-I116 HydrophobicContact CG-CD1 4.46Å; L111-I116 HydrophobicContact CG-CG1 4.11Å; T112-I116 PolarHBondContact O-N 2.75Å; D113-I116 PolarHBondContact O-N 2.92Å; D114-I116 VanDerWaalsContact C-N 3.31Å; D114-I116 PolarHBondContact O-N 2.78Å; I116-F119 PolarHBondContact O-N 3.47Å; I116-R120 WeakPolarHBondContact O-CB 3.29Å; I116-R120 WeakPolarHBondContact O-CG 3.11Å; I116-R120 PolarHBondContact O-N 3.24Å
117	A	94.5	Very high	93.2	Very high	57 Å²	57	72.5 Å²	72.5	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-42.7	174.9	0	0	0	0	0	111.3	D113 D114 D115 R120 K121	D113-A117 WeakPolarHBondContact O-CB 3.15Å; D113-A117 PolarHBondContact O-N 3.35Å; D114-A117 PolarHBondContact O-N 2.99Å; D115-A117 PolarHBondContact O-N 2.92Å; A117-R120 PolarHBondContact O-N 2.98Å; A117-K121 WeakPolarHBondContact O-CB 3.44Å; A117-K121 PolarHBondContact O-N 3.28Å
118	A	90.9	Very high	92.8	Very high	60 Å²	60	77.6 Å²	77.6	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-47.4	175	0	0	0	0	0	111.9	D114 D115 R120 K121 E122	D114-A118 WeakPolarHBondContact O-CB 3.47Å; D114-A118 PolarHBondContact O-N 3.49Å; D115-A118 PolarHBondContact O-N 2.88Å; A118-R120 PolarHBondContact O-N 3.43Å; A118-K121 PolarHBondContact O-N 2.84Å; A118-E122 PolarHBondContact O-N 2.89Å
119	F	94.8	Very high	92.2	Very high	3 Å²	3	83 Å²	83	1%	0.013	41%	0.412	C	S	.	.	H	α-helix	trans	-55.7	-47.3	175	167.4	-98.7	0	0	0	112.1	M90 P92 V98 L102 D115 I116 K121 E122 R123 I132 V134	M90-F119 HydrophobicContact CG-CE2 3.76Å; M90-F119 HydrophobicContact CG-CZ 4.03Å; M90-F119 HydrophobicContact SD-CE2 4.14Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; P92-F119 HydrophobicContact CG-CZ 4.17Å; V98-F119 HydrophobicContact CG1-CE1 4.02Å; V98-F119 HydrophobicContact CG1-CZ 4.2Å; L102-F119 HydrophobicContact CD1-CD1 4.02Å; L102-F119 HydrophobicContact CD1-CE1 3.95Å; L102-F119 HydrophobicContact CD2-CD1 4.22Å; L102-F119 HydrophobicContact CD2-CE1 4.33Å; D115-F119 WeakPolarHBondContact O-CB 3.27Å; D115-F119 PolarHBondContact O-N 2.93Å; I116-F119 PolarHBondContact O-N 3.47Å; F119-K121 PolarHBondContact O-N 3.23Å; F119-E122 PolarHBondContact O-N 3.48Å; F119-R123 VanDerWaalsContact O-CB 3.32Å; F119-R123 WeakPolarHBondContact O-CB 3.44Å; F119-R123 PolarHBondContact O-N 3.34Å; F119-I132 HydrophobicContact CD2-CB 4.17Å; F119-I132 HydrophobicContact CD2-CG2 3.53Å; F119-I132 HydrophobicContact CE2-CB 3.89Å; F119-I132 HydrophobicContact CE2-CG2 3.74Å; F119-I132 HydrophobicContact CG-CG2 4.48Å; F119-V134 HydrophobicContact CD2-CB 4.48Å; F119-V134 HydrophobicContact CD2-CG2 3.88Å; F119-V134 HydrophobicContact CE2-CG2 3.94Å
120	R	95	Very high	91.7	Very high	136 Å²	136	85.5 Å²	85.5	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-38.9	179	-73.5	179	179.2	-173.4	1.4	112.2	I116 A117 A118 A124	I116-R120 WeakPolarHBondContact O-CB 3.29Å; I116-R120 WeakPolarHBondContact O-CG 3.11Å; I116-R120 PolarHBondContact O-N 3.24Å; A117-R120 PolarHBondContact O-N 2.98Å; A118-R120 PolarHBondContact O-N 3.43Å; R120-A124 PolarHBondContact O-N 3.45Å; R120-A124 VanDerWaalsContact O-N 3.14Å
121	K	91.3	Very high	91.4	Very high	119 Å²	119	83.9 Å²	83.9	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-44.3	176.3	-178.5	-178.8	177.3	-176.6	0	111.4	A117 A118 F119 A124 R125	A117-K121 WeakPolarHBondContact O-CB 3.44Å; A117-K121 PolarHBondContact O-N 3.28Å; A118-K121 PolarHBondContact O-N 2.84Å; F119-K121 PolarHBondContact O-N 3.23Å; K121-A124 PolarHBondContact O-N 2.89Å; K121-R125 VanDerWaalsContact CE-CZ 3.42Å; K121-R125 VanDerWaalsContact CE-NH2 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.33Å; K121-R125 PolarHBondContact O-N 3.43Å
122	E	89.4	Confident	91.3	Very high	73 Å²	73	83.7 Å²	83.7	34%	0.341	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-40.5	177.9	-165.3	60.2	-160.5	0	0	111	A118 F119 A124 R125 S126 I132	A118-E122 PolarHBondContact O-N 2.89Å; F119-E122 PolarHBondContact O-N 3.48Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 2.83Å; E122-R125 CarbonylContact O-C 3.55Å; E122-R125 PolarHBondContact O-N 3.13Å; E122-S126 WeakPolarHBondContact O-CB 3.5Å; E122-S126 PolarHBondContact O-N 3.33Å; E122-S126 PolarHBondContact O-OG 3.42Å; E122-I132 HydrophobicContact CB-CG2 3.98Å; E122-I132 HydrophobicContact CG-CG2 4.09Å
123	R	92.9	Very high	91.2	Very high	115 Å²	115	82.7 Å²	82.7	43%	0.434	42%	0.415	S	S	.	.	H	α-helix	trans	-55.6	-41.6	173.6	-174.7	176.5	177.3	-170.2	0.4	113.8	P92 F119 R125 S126 I132	P92-R123 HydrophobicContact CG-CG 4.32Å; F119-R123 VanDerWaalsContact O-CB 3.32Å; F119-R123 WeakPolarHBondContact O-CB 3.44Å; F119-R123 PolarHBondContact O-N 3.34Å; R123-R125 PolarHBondContact O-N 2.8Å; R123-S126 WeakPolarHBondContact CA-OG 3.49Å; R123-S126 PolarHBondContact O-OG 3.48Å; R123-I132 VanDerWaalsContact CA-CD1 3.49Å; R123-I132 HydrophobicContact CB-CD1 3.57Å; R123-I132 HydrophobicContact CG-CD1 3.62Å
124	A	91.6	Very high	91.2	Very high	90 Å²	90	77.7 Å²	77.7	74%	0.744	39%	0.388	S	S	*	.	H	α-helix	trans	-69.8	-24	178.8	0	0	0	0	0	112.8	R120 K121 E122	R120-A124 PolarHBondContact O-N 3.45Å; R120-A124 VanDerWaalsContact O-N 3.14Å; K121-A124 PolarHBondContact O-N 2.89Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 2.83Å
125	R	87.1	Confident	91.3	Very high	171 Å²	171	72.6 Å²	72.6	65%	0.645	36%	0.359	S	S	*	.	H	α-helix	trans	-92.8	-27.1	-179.3	-69	172.5	172.2	-162.6	-9.4	112.9	K121 E122 R123	K121-R125 VanDerWaalsContact CE-CZ 3.42Å; K121-R125 VanDerWaalsContact CE-NH2 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.33Å; K121-R125 PolarHBondContact O-N 3.43Å; E122-R125 CarbonylContact O-C 3.55Å; E122-R125 PolarHBondContact O-N 3.13Å; R123-R125 PolarHBondContact O-N 2.8Å
126	S	85.5	Confident	91.2	Very high	27 Å²	27	74.3 Å²	74.3	19%	0.189	37%	0.371	C	S	.	.	S	Bend	trans	-75.9	154.5	179.5	62.4	0	0	0	0	112.3	E122 R123	E122-S126 WeakPolarHBondContact O-CB 3.5Å; E122-S126 PolarHBondContact O-N 3.33Å; E122-S126 PolarHBondContact O-OG 3.42Å; R123-S126 WeakPolarHBondContact CA-OG 3.49Å; R123-S126 PolarHBondContact O-OG 3.48Å
127	H	86.5	Confident	90.9	Very high	162 Å²	162	78.3 Å²	78.3	75%	0.75	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-71.7	167	170.3	-63.6	-64.6	0	0	0	111.6	T130	H127-T130 WeakPolarHBondContact O-CB 3.08Å; H127-T130 PolarHBondContact O-N 3.17Å; H127-T130 PolarHBondContact O-OG1 3.03Å
128	R	86.1	Confident	90.8	Very high	194 Å²	194	76.2 Å²	76.2	73%	0.732	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	142.7	174.4	-166.9	176.4	63.5	178.5	-0.4	109.9	E93 T130	E93-R128 VanDerWaalsContact OE1-CG 3.28Å; E93-R128 WeakPolarHBondContact OE1-CG 3.43Å; R128-T130 VanDerWaalsContact C-N 3.31Å
129	F	84.6	Confident	91	Very high	118 Å²	118	76.9 Å²	76.9	52%	0.518	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	28	-176.5	-53.1	-66.4	0	0	0	115.1	M91 E93	M91-F129 HydrophobicContact CE-CB 3.69Å; M91-F129 HydrophobicContact CE-CD1 4.3Å; M91-F129 HydrophobicContact CE-CG 4.5Å; M91-F129 WeakPolarHBondContact CE-O 3.4Å; E93-F129 HydrophobicContact CB-CD1 3.94Å; E93-F129 HydrophobicContact CB-CE1 3.83Å; E93-F129 HydrophobicContact CG-CD1 3.98Å; E93-F129 HydrophobicContact CG-CE1 3.94Å; E93-F129 PolarHBondContact OE1-N 2.79Å
130	T	86.3	Confident	90.9	Very high	53 Å²	53	84.8 Å²	84.8	33%	0.325	41%	0.408	S	S	.	.			trans	-86.5	140.7	169	-59.2	0	0	0	0	110.5	H127 R128	H127-T130 WeakPolarHBondContact O-CB 3.08Å; H127-T130 PolarHBondContact O-N 3.17Å; H127-T130 PolarHBondContact O-OG1 3.03Å; R128-T130 VanDerWaalsContact C-N 3.31Å
131	S	91.8	Very high	91	Very high	35 Å²	35	82.9 Å²	82.9	25%	0.245	41%	0.412	C	S	.	.			trans	-76.5	120.3	168.2	-166.5	0	0	0	0	108.5	E89	E89-S131 WeakPolarHBondContact CG-OG 3.31Å; E89-S131 PolarHBondContact OE1-OG 3.35Å
132	I	94.1	Very high	91.3	Very high	3 Å²	3	78.2 Å²	78.2	2%	0.015	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129	-172.4	-58.3	164.8	0	0	0	108.9	E89 M90 P92 F119 E122 R123 V134	E89-I132 CarbonylContact C-O 3.3Å; E89-I132 VanDerWaalsContact CA-O 3.25Å; E89-I132 WeakPolarHBondContact CA-O 3.41Å; E89-I132 WeakPolarHBondContact CB-O 3.24Å; M90-I132 PolarHBondContact N-O 3.04Å; M90-I132 PolarHBondContact O-N 3.11Å; P92-I132 HydrophobicContact CG-CD1 3.6Å; F119-I132 HydrophobicContact CD2-CB 4.17Å; F119-I132 HydrophobicContact CD2-CG2 3.53Å; F119-I132 HydrophobicContact CE2-CB 3.89Å; F119-I132 HydrophobicContact CE2-CG2 3.74Å; F119-I132 HydrophobicContact CG-CG2 4.48Å; E122-I132 HydrophobicContact CB-CG2 3.98Å; E122-I132 HydrophobicContact CG-CG2 4.09Å; R123-I132 VanDerWaalsContact CA-CD1 3.49Å; R123-I132 HydrophobicContact CB-CD1 3.57Å; R123-I132 HydrophobicContact CG-CD1 3.62Å; I132-V134 PolarHBondContact O-N 2.6Å
133	P	94.2	Very high	91.6	Very high	41 Å²	41	76 Å²	76	27%	0.266	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130.3	175.3	26.7	-33.9	0	0	0	110.5	T136	P133-T136 HydrophobicContact CB-CG2 3.93Å
134	V	96.5	Very high	91.7	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.024	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-44.6	178.7	-179.8	0	0	0	0	110	I88 M90 L102 L105 L111 F119 I132	I88-V134 HydrophobicContact CD1-CB 3.95Å; I88-V134 HydrophobicContact CD1-CG1 3.85Å; I88-V134 HydrophobicContact CG1-CB 4.08Å; I88-V134 HydrophobicContact CG1-CG1 4.49Å; I88-V134 PolarHBondContact O-N 3.21Å; M90-V134 HydrophobicContact CB-CG2 4.28Å; M90-V134 HydrophobicContact CE-CB 4.48Å; M90-V134 HydrophobicContact CE-CG1 4.25Å; M90-V134 HydrophobicContact CE-CG2 3.41Å; M90-V134 VanDerWaalsContact CE-CG2 3.41Å; M90-V134 HydrophobicContact CG-CG2 3.71Å; M90-V134 HydrophobicContact SD-CG2 4.29Å; L102-V134 HydrophobicContact CD2-CG1 3.74Å; L105-V134 HydrophobicContact CD1-CG1 4.09Å; L111-V134 HydrophobicContact CD1-CG1 3.9Å; L111-V134 HydrophobicContact CD2-CG1 4.01Å; F119-V134 HydrophobicContact CD2-CB 4.48Å; F119-V134 HydrophobicContact CD2-CG2 3.88Å; F119-V134 HydrophobicContact CE2-CG2 3.94Å; I132-V134 PolarHBondContact O-N 2.6Å
135	K	95.1	Very high	92	Very high	25 Å²	25	72.6 Å²	72.6	11%	0.109	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	125.5	173.1	-171.4	171.1	-175.1	64.4	0	109.3	Q87 I88 V109 D110 L111 D115 L138	Q87-K135 VanDerWaalsContact CA-O 3.24Å; Q87-K135 WeakPolarHBondContact CA-O 3.44Å; Q87-K135 VanDerWaalsContact CB-O 3.28Å; Q87-K135 WeakPolarHBondContact CB-O 3.47Å; I88-K135 HydrophobicContact CD1-CB 4.19Å; I88-K135 HydrophobicContact CG1-CB 3.82Å; I88-K135 PolarHBondContact N-O 2.89Å; I88-K135 PolarHBondContact O-N 2.93Å; V109-K135 HydrophobicContact CB-CD 4.3Å; V109-K135 HydrophobicContact CG2-CD 4.02Å; V109-K135 VanDerWaalsContact O-CD 3.27Å; V109-K135 WeakPolarHBondContact O-CD 3.34Å; V109-K135 WeakPolarHBondContact O-CE 3.48Å; D110-K135 PolarHBondContact O-NZ 3Å; L111-K135 HydrophobicContact CD1-CB 3.75Å; L111-K135 HydrophobicContact CD1-CD 4.15Å; L111-K135 HydrophobicContact CD1-CG 4.33Å; D115-K135 IonicContact OD1-NZ 3.71Å; D115-K135 PolarHBondContact OD1-NZ 2.85Å; D115-K135 IonicContact OD2-NZ 3.22Å; D115-K135 PolarHBondContact OD2-NZ 3.35Å; K135-L138 HydrophobicContact CB-CD2 4.13Å; K135-L138 HydrophobicContact CD-CD2 3.65Å; K135-L138 HydrophobicContact CG-CD2 3.76Å
136	T	91.2	Very high	92.5	Very high	65 Å²	65	64.5 Å²	64.5	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	166.3	178.5	57.3	0	0	0	0	110.8	Q87 P133 L138	Q87-T136 HydrophobicContact CB-CG2 4.25Å; P133-T136 HydrophobicContact CB-CG2 3.93Å; T136-L138 VanDerWaalsContact C-N 3.34Å; T136-L138 PolarHBondContact O-N 2.86Å
137	N	89	Confident	92.9	Very high	94 Å²	94	65.5 Å²	65.5	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.3	44.2	175.4	-56.2	-24.4	0	0	0	113.8	I85 Y86 T139	I85-N137 WeakPolarHBondContact CG2-OD1 3.09Å; Y86-N137 PolarHBondContact O-N 2.76Å; N137-T139 PolarHBondContact O-N 2.76Å
138	L	93.9	Very high	93.4	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.068	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.4	177.3	-64.1	172.4	0	0	0	110.6	Y86 I88 V109 K135 T136 Q142 V143	Y86-L138 PolarHBondContact O-N 2.88Å; I88-L138 HydrophobicContact CB-CD1 4.39Å; I88-L138 HydrophobicContact CG1-CD1 4.29Å; I88-L138 HydrophobicContact CG2-CD1 3.84Å; V109-L138 HydrophobicContact CB-CD2 4.07Å; V109-L138 HydrophobicContact CG1-CD2 4.43Å; K135-L138 HydrophobicContact CB-CD2 4.13Å; K135-L138 HydrophobicContact CD-CD2 3.65Å; K135-L138 HydrophobicContact CG-CD2 3.76Å; T136-L138 VanDerWaalsContact C-N 3.34Å; T136-L138 PolarHBondContact O-N 2.86Å; L138-Q142 HydrophobicContact CB-CB 4.2Å; L138-Q142 HydrophobicContact CD2-CB 4Å; L138-V143 HydrophobicContact CB-CG2 3.73Å; L138-V143 HydrophobicContact CD1-CG2 4.29Å
139	T	94.3	Very high	93.9	Very high	74 Å²	74	55 Å²	55	45%	0.454	31%	0.31	S	S	.	.			trans	-69.8	157.2	168.9	68.3	0	0	0	0	110.3	N137 V141 Q142 V143	N137-T139 PolarHBondContact O-N 2.76Å; T139-V141 PolarHBondContact O-N 2.72Å; T139-V141 VanDerWaalsContact O-N 3.15Å; T139-Q142 WeakPolarHBondContact O-CA 3.1Å; T139-Q142 WeakPolarHBondContact O-CB 3.22Å; T139-Q142 PolarHBondContact O-N 2.94Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.33Å; T139-Q142 PolarHBondContact OG1-N 3.05Å; T139-V143 WeakPolarHBondContact O-CG2 3.24Å; T139-V143 PolarHBondContact O-N 3.28Å
140	E	93.3	Very high	94.2	Very high	168 Å²	168	54.1 Å²	54.1	79%	0.785	31%	0.307	S	S	*	.	H	α-helix	trans	-54.3	-36.3	176.2	-63.6	-180	172.3	0	0	112.2	V143 A144	E140-V143 PolarHBondContact O-N 3.11Å; E140-A144 WeakPolarHBondContact O-CB 3.43Å; E140-A144 PolarHBondContact O-N 2.88Å
141	V	96.5	Very high	94.5	Very high	97 Å²	97	60.2 Å²	60.2	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-41.7	174.9	178.6	0	0	0	0	111.9	T139 R145	T139-V141 PolarHBondContact O-N 2.72Å; T139-V141 VanDerWaalsContact O-N 3.15Å; V141-R145 WeakPolarHBondContact O-CB 3.49Å; V141-R145 WeakPolarHBondContact O-CG 3.47Å; V141-R145 PolarHBondContact O-N 3.49Å
142	Q	97	Very high	94.7	Very high	21 Å²	21	64.1 Å²	64.1	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-67.6	-40.3	176.1	-73.9	165.8	-17.2	0	0	111.6	V109 D110 L138 T139 R145 F146	V109-Q142 PolarHBondContact O-NE2 3.02Å; D110-Q142 PolarHBondContact OD2-NE2 2.75Å; L138-Q142 HydrophobicContact CB-CB 4.2Å; L138-Q142 HydrophobicContact CD2-CB 4Å; T139-Q142 WeakPolarHBondContact O-CA 3.1Å; T139-Q142 WeakPolarHBondContact O-CB 3.22Å; T139-Q142 PolarHBondContact O-N 2.94Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.33Å; T139-Q142 PolarHBondContact OG1-N 3.05Å; Q142-R145 PolarHBondContact O-N 3.49Å; Q142-F146 WeakPolarHBondContact O-CB 3.13Å; Q142-F146 PolarHBondContact O-N 3.44Å
143	V	95.8	Very high	94.7	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-48.3	174.2	176.3	0	0	0	0	110.5	Y86 L138 T139 E140 R145 F146 A147 V158	Y86-V143 HydrophobicContact CD1-CG1 4.43Å; Y86-V143 HydrophobicContact CD1-CG2 4.31Å; Y86-V143 HydrophobicContact CD2-CG2 3.9Å; Y86-V143 HydrophobicContact CG-CG1 4.46Å; Y86-V143 HydrophobicContact CG-CG2 3.61Å; L138-V143 HydrophobicContact CB-CG2 3.73Å; L138-V143 HydrophobicContact CD1-CG2 4.29Å; T139-V143 WeakPolarHBondContact O-CG2 3.24Å; T139-V143 PolarHBondContact O-N 3.28Å; E140-V143 PolarHBondContact O-N 3.11Å; V143-R145 PolarHBondContact O-N 3.4Å; V143-F146 PolarHBondContact O-N 3.26Å; V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.07Å; V143-V158 HydrophobicContact CG1-CG2 4.34Å
144	A	95.9	Very high	94.6	Very high	56 Å²	56	65.6 Å²	65.6	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-43.8	178.1	0	0	0	0	0	112.3	E140 F146 A147 V148	E140-A144 WeakPolarHBondContact O-CB 3.43Å; E140-A144 PolarHBondContact O-N 2.88Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 3.05Å; A144-A147 PolarHBondContact O-N 2.74Å; A144-V148 PolarHBondContact O-N 2.87Å
145	R	97.3	Very high	94.3	Very high	79 Å²	79	66.3 Å²	66.3	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-39.7	175.1	-77.6	-171.4	-68.9	169.9	-4.6	112.3	V108 D110 V141 Q142 V143 V148 N149	V108-R145 HydrophobicContact CG1-CB 4.42Å; V108-R145 WeakPolarHBondContact CG1-O 3.43Å; V108-R145 WeakPolarHBondContact O-CB 3.39Å; V108-R145 PolarHBondContact O-NE 3.42Å; D110-R145 VanDerWaalsContact CG-NH2 3.26Å; D110-R145 IonicContact OD1-CZ 3.57Å; D110-R145 IonicContact OD1-NH1 3.46Å; D110-R145 PolarHBondContact OD1-NH1 2.86Å; D110-R145 IonicContact OD1-NH2 3.99Å; D110-R145 PolarHBondContact OD1-NH2 3.24Å; D110-R145 IonicContact OD2-CZ 2.75Å; D110-R145 IonicContact OD2-NH1 3.9Å; D110-R145 IonicContact OD2-NH2 2.75Å; D110-R145 PolarHBondContact OD2-NH2 3.46Å; V141-R145 WeakPolarHBondContact O-CB 3.49Å; V141-R145 WeakPolarHBondContact O-CG 3.47Å; V141-R145 PolarHBondContact O-N 3.49Å; Q142-R145 PolarHBondContact O-N 3.49Å; V143-R145 PolarHBondContact O-N 3.4Å; R145-V148 WeakPolarHBondContact O-CG2 3.46Å; R145-N149 PolarHBondContact O-ND2 3.36Å
146	F	97.3	Very high	94.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-44.9	174.7	-176.9	-94.5	0	0	0	111.8	I88 L105 V108 V109 Q142 V143 A144 V148 N149 Q150 F153 V156 V158	I88-F146 HydrophobicContact CG2-CD1 3.94Å; I88-F146 HydrophobicContact CG2-CD2 3.76Å; I88-F146 HydrophobicContact CG2-CE1 3.98Å; I88-F146 HydrophobicContact CG2-CE2 3.8Å; I88-F146 HydrophobicContact CG2-CG 3.82Å; I88-F146 HydrophobicContact CG2-CZ 3.91Å; L105-F146 HydrophobicContact CD2-CD2 3.9Å; L105-F146 HydrophobicContact CD2-CE2 3.79Å; V108-F146 HydrophobicContact CG1-CB 4.3Å; V108-F146 HydrophobicContact CG1-CD2 4.43Å; V109-F146 HydrophobicContact CG1-CB 3.75Å; V109-F146 HydrophobicContact CG1-CD2 4.05Å; V109-F146 HydrophobicContact CG1-CG 4.3Å; Q142-F146 WeakPolarHBondContact O-CB 3.13Å; Q142-F146 PolarHBondContact O-N 3.44Å; V143-F146 PolarHBondContact O-N 3.26Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 3.05Å; F146-V148 PolarHBondContact O-N 3.1Å; F146-N149 CarbonylContact O-C 3.45Å; F146-N149 VanDerWaalsContact O-C 3.3Å; F146-N149 WeakPolarHBondContact O-CA 3.38Å; F146-N149 PolarHBondContact O-N 3.11Å; F146-Q150 HydrophobicContact CE1-CB 4.41Å; F146-Q150 HydrophobicContact CE1-CG 4.24Å; F146-Q150 PolarHBondContact O-N 3.36Å; F146-F153 HydrophobicContact CD2-CD2 4.47Å; F146-F153 AromaticContact CE2-CD2 3.99Å; F146-F153 HydrophobicContact CE2-CD2 3.99Å; F146-F153 HydrophobicContact CE2-CG 4.49Å; F146-V156 HydrophobicContact CE2-CB 4.39Å; F146-V156 HydrophobicContact CE2-CG1 3.82Å; F146-V156 HydrophobicContact CZ-CB 4.09Å; F146-V156 HydrophobicContact CZ-CG1 3.71Å; F146-V158 HydrophobicContact CD1-CB 3.62Å; F146-V158 HydrophobicContact CD1-CG1 3.78Å; F146-V158 HydrophobicContact CD1-CG2 4.41Å; F146-V158 HydrophobicContact CE1-CB 3.65Å; F146-V158 HydrophobicContact CE1-CG1 3.82Å
147	A	94.2	Very high	94.3	Very high	48 Å²	48	65.8 Å²	65.8	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-46.8	-177.5	0	0	0	0	0	112.2	V143 A144 N149 Q150	V143-A147 WeakPolarHBondContact O-CB 3.26Å; V143-A147 PolarHBondContact O-N 3.07Å; A144-A147 PolarHBondContact O-N 2.74Å; A147-N149 PolarHBondContact O-N 2.76Å; A147-Q150 WeakPolarHBondContact O-CB 3.43Å; A147-Q150 PolarHBondContact O-N 2.8Å
148	V	96.2	Very high	94.6	Very high	104 Å²	104	63.2 Å²	63.2	63%	0.63	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.7	177	-58.4	0	0	0	0	113.7	A144 R145 F146 Y151	A144-V148 PolarHBondContact O-N 2.87Å; R145-V148 WeakPolarHBondContact O-CG2 3.46Å; F146-V148 PolarHBondContact O-N 3.1Å; V148-Y151 WeakPolarHBondContact O-CE1 3.43Å
149	N	96.7	Very high	94.4	Very high	32 Å²	32	66 Å²	66	17%	0.171	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	2.1	177.2	-75.5	-80.9	0	0	0	113.6	V108 R145 F146 A147 Y151 R152 F153	V108-N149 HydrophobicContact CG1-CB 3.99Å; V108-N149 HydrophobicContact CG2-CB 4.42Å; R145-N149 PolarHBondContact O-ND2 3.36Å; F146-N149 CarbonylContact O-C 3.45Å; F146-N149 VanDerWaalsContact O-C 3.3Å; F146-N149 WeakPolarHBondContact O-CA 3.38Å; F146-N149 PolarHBondContact O-N 3.11Å; A147-N149 PolarHBondContact O-N 2.76Å; N149-Y151 PolarHBondContact O-N 3.36Å; N149-Y151 VanDerWaalsContact O-N 3.14Å; N149-R152 VanDerWaalsContact O-CB 3.31Å; N149-R152 WeakPolarHBondContact O-CB 3.5Å; N149-R152 PolarHBondContact O-N 3.36Å; N149-R152 VanDerWaalsContact OD1-CD 3.3Å; N149-R152 WeakPolarHBondContact OD1-CD 3.44Å; N149-R152 PolarHBondContact OD1-NH1 2.98Å; N149-F153 HydrophobicContact CB-CD2 4.46Å; N149-F153 HydrophobicContact CB-CE2 3.96Å; N149-F153 WeakPolarHBondContact O-CD2 3.26Å
150	Q	92.3	Very high	94.2	Very high	99 Å²	99	64.5 Å²	64.5	46%	0.463	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.2	-36.4	-171	-176.5	178	-4.1	0	0	112.8	F146 A147 R152 F153	F146-Q150 HydrophobicContact CE1-CB 4.41Å; F146-Q150 HydrophobicContact CE1-CG 4.24Å; F146-Q150 PolarHBondContact O-N 3.36Å; A147-Q150 WeakPolarHBondContact O-CB 3.43Å; A147-Q150 PolarHBondContact O-N 2.8Å; Q150-R152 PolarHBondContact O-N 2.82Å; Q150-R152 VanDerWaalsContact O-N 3.12Å; Q150-F153 PolarHBondContact O-N 3.17Å
151	Y	92.9	Very high	93.9	Very high	181 Å²	181	59.1 Å²	59.1	71%	0.71	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-59.3	-23.5	177.7	73.8	-86.5	0	0	0	113.8	V148 N149	V148-Y151 WeakPolarHBondContact O-CE1 3.43Å; N149-Y151 PolarHBondContact O-N 3.36Å; N149-Y151 VanDerWaalsContact O-N 3.14Å
152	R	94.7	Very high	93.6	Very high	118 Å²	118	60.2 Å²	60.2	45%	0.445	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-81.7	-15.7	179.8	-59.7	170.9	59.5	-162.7	-3	113.1	N149 Q150 P154	N149-R152 VanDerWaalsContact O-CB 3.31Å; N149-R152 WeakPolarHBondContact O-CB 3.5Å; N149-R152 PolarHBondContact O-N 3.36Å; N149-R152 VanDerWaalsContact OD1-CD 3.3Å; N149-R152 WeakPolarHBondContact OD1-CD 3.44Å; N149-R152 PolarHBondContact OD1-NH1 2.98Å; Q150-R152 PolarHBondContact O-N 2.82Å; Q150-R152 VanDerWaalsContact O-N 3.12Å; R152-P154 VanDerWaalsContact O-CD 3.3Å; R152-P154 WeakPolarHBondContact O-CD 3.04Å
153	F	94.8	Very high	93.4	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.031	32%	0.318	C	S	.	.	S	Bend	trans	-120.2	61.8	-173.7	-56.2	-69	0	0	0	112.8	T101 A104 L105 V108 F146 N149 Q150 G155 V156	T101-F153 HydrophobicContact CG2-CD1 4.02Å; A104-F153 HydrophobicContact CB-CE1 3.71Å; A104-F153 HydrophobicContact CB-CZ 4.12Å; L105-F153 HydrophobicContact CD2-CD1 4.29Å; L105-F153 HydrophobicContact CD2-CD2 4.12Å; L105-F153 HydrophobicContact CD2-CE1 4.06Å; L105-F153 HydrophobicContact CD2-CE2 3.9Å; L105-F153 HydrophobicContact CD2-CG 4.3Å; L105-F153 HydrophobicContact CD2-CZ 3.86Å; L105-F153 HydrophobicContact CG-CD1 4.34Å; L105-F153 HydrophobicContact CG-CE1 4.02Å; L105-F153 HydrophobicContact CG-CZ 4.21Å; V108-F153 HydrophobicContact CG1-CE2 4.42Å; V108-F153 HydrophobicContact CG2-CE2 4Å; V108-F153 HydrophobicContact CG2-CZ 3.97Å; F146-F153 HydrophobicContact CD2-CD2 4.47Å; F146-F153 AromaticContact CE2-CD2 3.99Å; F146-F153 HydrophobicContact CE2-CD2 3.99Å; F146-F153 HydrophobicContact CE2-CG 4.49Å; N149-F153 HydrophobicContact CB-CD2 4.46Å; N149-F153 HydrophobicContact CB-CE2 3.96Å; N149-F153 WeakPolarHBondContact O-CD2 3.26Å; Q150-F153 PolarHBondContact O-N 3.17Å; F153-G155 PolarHBondContact O-N 3.4Å; F153-G155 VanDerWaalsContact O-N 3.16Å; F153-V156 HydrophobicContact CB-CB 3.9Å; F153-V156 HydrophobicContact CB-CG2 3.87Å; F153-V156 PolarHBondContact O-N 3.09Å
154	P	91.4	Very high	93.4	Very high	67 Å²	67	60.8 Å²	60.8	44%	0.435	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	122.3	176.1	-21.6	31.9	0	0	0	112.1	R152	R152-P154 VanDerWaalsContact O-CD 3.3Å; R152-P154 WeakPolarHBondContact O-CD 3.04Å
155	G	90.3	Very high	93.5	Very high	20 Å²	20	59.6 Å²	59.6	21%	0.206	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-2.9	-178.3	0	0	0	0	0	114.9	M90 F153	M90-G155 WeakPolarHBondContact CB-O 3.15Å; F153-G155 PolarHBondContact O-N 3.4Å; F153-G155 VanDerWaalsContact O-N 3.16Å
156	V	94.9	Very high	93.5	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	165.9	-170.2	0	0	0	0	108.6	I88 E89 M90 V95 T101 F146 F153	I88-V156 HydrophobicContact CB-CG1 4.22Å; E89-V156 WeakPolarHBondContact O-CA 3.11Å; M90-V156 HydrophobicContact CB-CG2 4.21Å; M90-V156 HydrophobicContact CE-CG2 3.92Å; V95-V156 HydrophobicContact CG2-CG2 4.48Å; T101-V156 HydrophobicContact CG2-CG2 3.5Å; T101-V156 VanDerWaalsContact CG2-CG2 3.5Å; F146-V156 HydrophobicContact CE2-CB 4.39Å; F146-V156 HydrophobicContact CE2-CG1 3.82Å; F146-V156 HydrophobicContact CZ-CB 4.09Å; F146-V156 HydrophobicContact CZ-CG1 3.71Å; F153-V156 HydrophobicContact CB-CB 3.9Å; F153-V156 HydrophobicContact CB-CG2 3.87Å; F153-V156 PolarHBondContact O-N 3.09Å
157	E	92.2	Very high	93.4	Very high	74 Å²	74	56.7 Å²	56.7	35%	0.346	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.7	-177.7	-59.9	-179	141.7	0	0	108.8	I88 E89 K159	I88-E157 CarbonylContact C-O 3.58Å; I88-E157 VanDerWaalsContact CA-O 3.28Å; I88-E157 WeakPolarHBondContact CA-O 3.25Å; E89-E157 HydrophobicContact CG-CB 4.46Å; E89-E157 PolarHBondContact N-O 3.3Å; E89-E157 PolarHBondContact O-N 2.91Å; E157-K159 HydrophobicContact CB-CG 4.45Å; E157-K159 WeakPolarHBondContact OE2-CE 3.46Å; E157-K159 IonicContact OE2-NZ 3.73Å; E157-K159 PolarHBondContact OE2-NZ 3Å
158	V	94.5	Very high	93.6	Very high	39 Å²	39	55.3 Å²	55.3	24%	0.236	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.3	163.7	59.2	0	0	0	0	107.6	Q87 I88 V143 F146	Q87-V158 WeakPolarHBondContact O-CA 3.38Å; I88-V158 HydrophobicContact CG2-CB 4.07Å; I88-V158 HydrophobicContact CG2-CG2 4.34Å; V143-V158 HydrophobicContact CG1-CG2 4.34Å; F146-V158 HydrophobicContact CD1-CB 3.62Å; F146-V158 HydrophobicContact CD1-CG1 3.78Å; F146-V158 HydrophobicContact CD1-CG2 4.41Å; F146-V158 HydrophobicContact CE1-CB 3.65Å; F146-V158 HydrophobicContact CE1-CG1 3.82Å
159	K	90.3	Very high	93.6	Very high	71 Å²	71	51 Å²	51	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.8	179.3	-68.7	-167.9	-174.1	147.6	0	110.7	Y86 Q87 E89 E157 Y161	Y86-K159 WeakPolarHBondContact CA-O 3.43Å; Q87-K159 PolarHBondContact N-O 3.4Å; Q87-K159 PolarHBondContact O-N 2.92Å; E89-K159 HydrophobicContact CG-CD 4.47Å; E89-K159 WeakPolarHBondContact OE1-CD 3.44Å; E89-K159 WeakPolarHBondContact OE1-CE 3.41Å; E89-K159 IonicContact OE1-NZ 3.69Å; E89-K159 PolarHBondContact OE1-NZ 3.49Å; E157-K159 HydrophobicContact CB-CG 4.45Å; E157-K159 WeakPolarHBondContact OE2-CE 3.46Å; E157-K159 IonicContact OE2-NZ 3.73Å; E157-K159 PolarHBondContact OE2-NZ 3Å; K159-Y161 HydrophobicContact CB-CD2 4.34Å; K159-Y161 HydrophobicContact CB-CE2 3.61Å; K159-Y161 WeakPolarHBondContact CD-OH 3.31Å
160	G	89.8	Confident	93.6	Very high	43 Å²	43	51.7 Å²	51.7	44%	0.443	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.7	169.6	0	0	0	0	0	109.5
161	Y	87.7	Confident	93.8	Very high	56 Å²	56	47.1 Å²	47.1	22%	0.22	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	173.3	-67.3	-85.9	0	0	0	109.1	T84 I85 Q87 E89 K159 R163	T84-Y161 WeakPolarHBondContact CA-O 3.28Å; I85-Y161 PolarHBondContact N-O 3.36Å; I85-Y161 PolarHBondContact O-N 3.42Å; Q87-Y161 HydrophobicContact CG-CD2 3.86Å; Q87-Y161 HydrophobicContact CG-CE2 3.61Å; Q87-Y161 VanDerWaalsContact NE2-CE2 3.33Å; E89-Y161 PolarHBondContact OE1-OH 2.97Å; E89-Y161 PolarHBondContact OE2-OH 3.27Å; K159-Y161 HydrophobicContact CB-CD2 4.34Å; K159-Y161 HydrophobicContact CB-CE2 3.61Å; K159-Y161 WeakPolarHBondContact CD-OH 3.31Å; Y161-R163 PolarHBondContact O-N 2.9Å
162	K	89.1	Confident	94.1	Very high	119 Å²	119	39 Å²	39	52%	0.517	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.9	168.4	-72.3	-177.1	-177.8	-75.9	0	108.3	S67 N82 R83	S67-K162 WeakPolarHBondContact OG-CD 3.5Å; S67-K162 WeakPolarHBondContact OG-CE 3.48Å; N82-K162 HydrophobicContact CB-CB 4.47Å; R83-K162 WeakPolarHBondContact O-CA 3.36Å
163	R	92.1	Very high	94.3	Very high	48 Å²	48	33.4 Å²	33.4	18%	0.181	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	173	-64.6	-66.9	-174.3	-146.1	-5.5	109.4	N82 R83 I85 Y161 D204 V298 D299	N82-R163 CarbonylContact C-O 3.57Å; N82-R163 WeakPolarHBondContact CA-O 3.44Å; R83-R163 PolarHBondContact N-O 2.67Å; R83-R163 PolarHBondContact O-N 2.87Å; I85-R163 HydrophobicContact CB-CG 4.01Å; I85-R163 HydrophobicContact CD1-CB 3.87Å; I85-R163 HydrophobicContact CD1-CG 3.72Å; I85-R163 HydrophobicContact CG1-CB 3.97Å; I85-R163 HydrophobicContact CG1-CG 3.79Å; Y161-R163 PolarHBondContact O-N 2.9Å; R163-D204 IonicContact NH1-OD1 3.71Å; R163-D204 IonicContact NH1-OD2 2.66Å; R163-D204 PolarHBondContact NH1-OD2 2.98Å; R163-V298 HydrophobicContact CB-CG1 4.19Å; R163-D299 WeakPolarHBondContact CD-OD1 3.06Å; R163-D299 IonicContact NE-OD1 2.9Å
164	R	96.7	Very high	94.5	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.038	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.4	-179.3	-152.1	61.5	166.6	171.3	-2.3	110.3	G69 L81 N82 Y166 V179 E211 V298	G69-R164 PolarHBondContact O-NH1 2.98Å; G69-R164 PolarHBondContact O-NH2 3.16Å; L81-R164 CarbonylContact O-C 3.47Å; L81-R164 WeakPolarHBondContact O-CA 3.5Å; L81-R164 WeakPolarHBondContact O-CD 3.4Å; N82-R164 WeakPolarHBondContact OD1-CD 3.45Å; N82-R164 PolarHBondContact OD1-NH1 3.4Å; R164-Y166 HydrophobicContact CB-CE2 4.37Å; R164-Y166 HydrophobicContact CG-CE1 4.06Å; R164-Y166 HydrophobicContact CG-CE2 4.1Å; R164-Y166 WeakPolarHBondContact CG-OH 3.35Å; R164-V179 HydrophobicContact CB-CG2 3.28Å; R164-V179 HydrophobicContact CG-CG2 3.71Å; R164-E211 WeakPolarHBondContact CG-OE1 3.5Å; R164-E211 IonicContact CZ-OE1 3.64Å; R164-E211 IonicContact NE-OE1 3.16Å; R164-E211 PolarHBondContact NE-OE1 3.29Å; R164-E211 IonicContact NE-OE2 2.76Å; R164-E211 IonicContact NH2-OE1 2.87Å; R164-E211 PolarHBondContact NH2-OE1 2.57Å; R164-E211 IonicContact NH2-OE2 3.07Å; R164-V298 HydrophobicContact CB-CG1 4.35Å; R164-V298 HydrophobicContact CB-CG2 4.38Å; R164-V298 VanDerWaalsContact O-CG1 3.28Å; R164-V298 WeakPolarHBondContact O-CG1 3.47Å
165	Y	97.2	Very high	94.8	Very high	32 Å²	32	30.2 Å²	30.2	13%	0.125	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.1	-179.8	175.4	-115.5	0	0	0	109.7	L81 R83 P167 N624 A626	L81-Y165 HydrophobicContact CB-CD1 4.4Å; L81-Y165 HydrophobicContact CD1-CD1 4.37Å; L81-Y165 PolarHBondContact N-O 3.13Å; L81-Y165 PolarHBondContact O-N 3.42Å; R83-Y165 HydrophobicContact CG-CD1 4.43Å; R83-Y165 HydrophobicContact CG-CG 4.22Å; R83-Y165 VanDerWaalsContact CZ-CE2 3.48Å; R83-Y165 VanDerWaalsContact NE-CD1 3.3Å; R83-Y165 VanDerWaalsContact NH1-CE2 3.29Å; R83-Y165 PolarHBondContact NH2-OH 3.48Å; Y165-P167 HydrophobicContact CD1-CB 4.48Å; Y165-P167 HydrophobicContact CD1-CG 3.82Å; Y165-P167 HydrophobicContact CE1-CB 3.79Å; Y165-P167 HydrophobicContact CE1-CG 3.6Å; Y165-P167 WeakPolarHBondContact O-CD 3.46Å; Y165-N624 PolarHBondContact OH-ND2 2.8Å; Y165-A626 HydrophobicContact CE1-CB 4.04Å
166	Y	97.9	Very high	95.2	Very high	8 Å²	8	29.4 Å²	29.4	3%	0.031	15%	0.153	C	C	.	.			trans	-113.5	94.3	-178.6	-57.9	-71.1	0	0	0	109	A80 R164 Y168 G169 I176 Y178 V179 E211 P294 N295 V298	A80-Y166 HydrophobicContact CB-CD1 3.92Å; A80-Y166 HydrophobicContact CB-CE1 3.64Å; R164-Y166 HydrophobicContact CB-CE2 4.37Å; R164-Y166 HydrophobicContact CG-CE1 4.06Å; R164-Y166 HydrophobicContact CG-CE2 4.1Å; R164-Y166 WeakPolarHBondContact CG-OH 3.35Å; Y166-Y168 PolarHBondContact O-N 3.31Å; Y166-Y168 VanDerWaalsContact O-N 3.14Å; Y166-G169 PolarHBondContact O-N 3.12Å; Y166-I176 HydrophobicContact CD1-CG2 4.1Å; Y166-I176 HydrophobicContact CE1-CG2 3.89Å; Y166-Y178 WeakPolarHBondContact OH-CA 3.38Å; Y166-V179 PolarHBondContact OH-N 2.92Å; Y166-E211 HydrophobicContact CE1-CG 4.31Å; Y166-E211 WeakPolarHBondContact CE1-OE1 3.48Å; Y166-E211 PolarHBondContact OH-OE1 2.95Å; Y166-P294 HydrophobicContact CD2-CB 3.8Å; Y166-P294 HydrophobicContact CD2-CG 3.88Å; Y166-P294 HydrophobicContact CE2-CB 4.26Å; Y166-P294 HydrophobicContact CG-CB 4.21Å; Y166-P294 HydrophobicContact CG-CG 3.85Å; Y166-N295 PolarHBondContact N-OD1 3.22Å; Y166-N295 PolarHBondContact O-ND2 3.32Å; Y166-V298 HydrophobicContact CD2-CG2 4.09Å; Y166-V298 HydrophobicContact CE2-CG2 3.65Å
167	P	96.6	Very high	95.4	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.058	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	-170.9	-21	31.8	0	0	0	114.3	L79 L81 Y165 N624 V627	L79-P167 WeakPolarHBondContact O-CD 3.21Å; L81-P167 HydrophobicContact CD1-CG 3.74Å; L81-P167 HydrophobicContact CG-CG 4.38Å; Y165-P167 HydrophobicContact CD1-CB 4.48Å; Y165-P167 HydrophobicContact CD1-CG 3.82Å; Y165-P167 HydrophobicContact CE1-CB 3.79Å; Y165-P167 HydrophobicContact CE1-CG 3.6Å; Y165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-N624 HydrophobicContact CB-CB 4.46Å; P167-N624 PolarHBondContact O-ND2 2.77Å; P167-V627 HydrophobicContact CB-CG2 3.75Å; P167-V627 HydrophobicContact CG-CG2 4.18Å
168	Y	97.1	Very high	95.7	Very high	20 Å²	20	26.8 Å²	26.8	8%	0.078	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	7.6	-173.4	-48.8	-69.6	0	0	0	113.7	I77 P78 L79 Y166 S170 A171 L172 L256 V627	I77-Y168 HydrophobicContact CG2-CE2 4.14Å; I77-Y168 WeakPolarHBondContact CG2-OH 3.43Å; P78-Y168 WeakPolarHBondContact O-CE2 3.41Å; L79-Y168 HydrophobicContact CD2-CD2 3.92Å; L79-Y168 HydrophobicContact CD2-CE2 3.82Å; Y166-Y168 PolarHBondContact O-N 3.31Å; Y166-Y168 VanDerWaalsContact O-N 3.14Å; Y168-S170 PolarHBondContact O-N 3.07Å; Y168-A171 WeakPolarHBondContact O-CB 3.3Å; Y168-A171 PolarHBondContact O-N 2.86Å; Y168-L172 HydrophobicContact CD2-CD1 3.9Å; Y168-L172 HydrophobicContact CG-CD1 4.3Å; Y168-L256 HydrophobicContact CD1-CD1 4.02Å; Y168-L256 HydrophobicContact CD1-CD2 3.88Å; Y168-L256 HydrophobicContact CD2-CD1 3.83Å; Y168-L256 HydrophobicContact CD2-CD2 4.01Å; Y168-L256 HydrophobicContact CE1-CD1 4.46Å; Y168-L256 HydrophobicContact CE1-CD2 3.46Å; Y168-L256 VanDerWaalsContact CE1-CD2 3.46Å; Y168-L256 HydrophobicContact CE2-CD1 4.27Å; Y168-L256 HydrophobicContact CE2-CD2 3.59Å; Y168-L256 HydrophobicContact CG-CD1 3.69Å; Y168-L256 HydrophobicContact CG-CD2 4.13Å; Y168-V627 HydrophobicContact CE1-CG2 4.33Å; Y168-V627 WeakPolarHBondContact OH-CG2 3.41Å
169	G	96.1	Very high	95.9	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	49.5	-124.2	168.6	0	0	0	0	0	114.2	Y166 A171 L172 T173 P294	Y166-G169 PolarHBondContact O-N 3.12Å; G169-A171 PolarHBondContact O-N 2.78Å; G169-L172 PolarHBondContact O-N 2.8Å; G169-T173 PolarHBondContact O-OG1 2.83Å; G169-P294 VanDerWaalsContact C-CD 3.49Å; G169-P294 WeakPolarHBondContact O-CD 3.4Å
170	S	96.8	Very high	96.2	Very high	46 Å²	46	22.5 Å²	22.5	32%	0.322	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-64.1	-21.9	-171.4	59.3	0	0	0	0	115.2	Y168 L172 T173 E263 S291 Y292	Y168-S170 PolarHBondContact O-N 3.07Å; S170-L172 PolarHBondContact O-N 3.19Å; S170-L172 VanDerWaalsContact O-N 3.16Å; S170-T173 VanDerWaalsContact CA-OG1 3.27Å; S170-T173 WeakPolarHBondContact CA-OG1 3.34Å; S170-T173 PolarHBondContact O-OG1 3.36Å; S170-E263 VanDerWaalsContact CB-OE1 3.24Å; S170-E263 WeakPolarHBondContact CB-OE1 3.48Å; S170-E263 PolarHBondContact OG-OE1 2.87Å; S170-S291 VanDerWaalsContact O-CB 3.3Å; S170-S291 WeakPolarHBondContact O-CB 3.46Å; S170-S291 PolarHBondContact O-OG 2.81Å; S170-Y292 WeakPolarHBondContact CA-O 3.5Å
171	A	97.5	Very high	96.4	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24.7	-176.8	0	0	0	0	0	113.1	Y168 G169 Q259 Q260 E263	Y168-A171 WeakPolarHBondContact O-CB 3.3Å; Y168-A171 PolarHBondContact O-N 2.86Å; G169-A171 PolarHBondContact O-N 2.78Å; A171-Q259 WeakPolarHBondContact O-CG 3.34Å; A171-Q259 PolarHBondContact O-NE2 3.37Å; A171-Q260 HydrophobicContact CB-CG 3.85Å; A171-E263 VanDerWaalsContact CA-CD 3.49Å; A171-E263 WeakPolarHBondContact CA-OE1 3.46Å; A171-E263 WeakPolarHBondContact CA-OE2 3.33Å; A171-E263 WeakPolarHBondContact CB-OE2 3.19Å; A171-E263 PolarHBondContact N-OE1 3.34Å
172	L	98.5	Very high	96.7	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.047	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-122.6	3.1	-170.6	-70.9	171.7	0	0	0	114	L79 Y168 G169 S170 H174 V175 I176 L254 L256 Q259	L79-L172 HydrophobicContact CB-CD1 4.07Å; L79-L172 HydrophobicContact CD1-CD1 4.31Å; L79-L172 HydrophobicContact CD2-CD1 3.78Å; L79-L172 HydrophobicContact CG-CD1 4.28Å; Y168-L172 HydrophobicContact CD2-CD1 3.9Å; Y168-L172 HydrophobicContact CG-CD1 4.3Å; G169-L172 PolarHBondContact O-N 2.8Å; S170-L172 PolarHBondContact O-N 3.19Å; S170-L172 VanDerWaalsContact O-N 3.16Å; L172-H174 PolarHBondContact O-N 2.8Å; L172-V175 HydrophobicContact CB-CG1 4.46Å; L172-V175 HydrophobicContact CD2-CG1 3.93Å; L172-V175 WeakPolarHBondContact O-CG1 3.47Å; L172-V175 PolarHBondContact O-N 3.32Å; L172-I176 HydrophobicContact CB-CB 4.19Å; L172-I176 HydrophobicContact CB-CG1 3.68Å; L172-I176 HydrophobicContact CD1-CG1 4.14Å; L172-I176 HydrophobicContact CD2-CG1 4.09Å; L172-I176 HydrophobicContact CG-CG1 4.2Å; L172-I176 WeakPolarHBondContact O-CB 3.28Å; L172-I176 PolarHBondContact O-N 3.31Å; L172-L254 HydrophobicContact CD2-CD1 4.2Å; L172-L256 HydrophobicContact CD1-CD1 3.99Å; L172-L256 HydrophobicContact CG-CD1 4.5Å; L172-Q259 HydrophobicContact CD2-CG 3.75Å
173	T	98.5	Very high	96.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-53.8	-50.4	-167.7	-51.4	0	0	0	0	114.3	G169 S170 G177 L208 S291 Y292 P294	G169-T173 PolarHBondContact O-OG1 2.83Å; S170-T173 VanDerWaalsContact CA-OG1 3.27Å; S170-T173 WeakPolarHBondContact CA-OG1 3.34Å; S170-T173 PolarHBondContact O-OG1 3.36Å; T173-G177 WeakPolarHBondContact O-CA 3.48Å; T173-G177 PolarHBondContact O-N 3.41Å; T173-L208 WeakPolarHBondContact O-CD1 3.17Å; T173-S291 VanDerWaalsContact CB-OG 3.29Å; T173-S291 WeakPolarHBondContact CB-OG 3.42Å; T173-S291 PolarHBondContact OG1-OG 3.02Å; T173-S291 VanDerWaalsContact OG1-OG 3.08Å; T173-Y292 WeakPolarHBondContact CB-O 3.27Å; T173-Y292 HydrophobicContact CG2-CD1 3.87Å; T173-Y292 HydrophobicContact CG2-CD2 3.64Å; T173-Y292 HydrophobicContact CG2-CE1 3.5Å; T173-Y292 VanDerWaalsContact CG2-CE1 3.5Å; T173-Y292 HydrophobicContact CG2-CE2 3.27Å; T173-Y292 HydrophobicContact CG2-CG 3.94Å; T173-Y292 WeakPolarHBondContact CG2-O 3.45Å; T173-Y292 PolarHBondContact OG1-O 2.91Å; T173-P294 HydrophobicContact CG2-CB 4.36Å; T173-P294 WeakPolarHBondContact OG1-CD 3.25Å
174	H	98.7	Very high	97.1	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-79	-24.6	-174.3	-52.8	97.1	0	0	0	113.6	L172 S288 Y292 P316 N319	L172-H174 PolarHBondContact O-N 2.8Å; H174-S288 PolarHBondContact CE1-O 2.93Å; H174-S288 PolarHBondContact ND1-O 3.29Å; H174-Y292 AromaticContact NE2-CE1 3.95Å; H174-P316 PolarHBondContact NE2-O 3.41Å; H174-N319 HydrophobicContact CB-CB 3.91Å; H174-N319 PolarHBondContact O-ND2 3.2Å
175	V	98.7	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-91.8	-47.4	-176.5	67.8	0	0	0	0	111.4	L172 G209 I210 L254 L286 L483	L172-V175 HydrophobicContact CB-CG1 4.46Å; L172-V175 HydrophobicContact CD2-CG1 3.93Å; L172-V175 WeakPolarHBondContact O-CG1 3.47Å; L172-V175 PolarHBondContact O-N 3.32Å; V175-G209 CarbonylContact O-C 3.52Å; V175-G209 WeakPolarHBondContact O-CA 3.46Å; V175-I210 WeakPolarHBondContact O-CG1 3.38Å; V175-I210 PolarHBondContact O-N 3.44Å; V175-L254 HydrophobicContact CB-CD1 4.5Å; V175-L254 HydrophobicContact CG1-CD1 3.8Å; V175-L254 HydrophobicContact CG2-CD1 3.86Å; V175-L254 HydrophobicContact CG2-CD2 4.42Å; V175-L286 HydrophobicContact CB-CB 4.37Å; V175-L286 HydrophobicContact CB-CD2 4.19Å; V175-L286 HydrophobicContact CG2-CB 4.07Å; V175-L286 HydrophobicContact CG2-CD2 4.43Å; V175-L483 HydrophobicContact CG2-CD1 3.6Å; V175-L483 HydrophobicContact CG2-CD2 3.46Å; V175-L483 VanDerWaalsContact CG2-CD2 3.46Å; V175-L483 HydrophobicContact CG2-CG 4.2Å
176	I	98.8	Very high	97.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-77.8	-43.7	174.6	-61.8	-60.6	0	0	0	110.5	I71 L79 A80 Y166 L172 I210 E211 L252 L254	I71-I176 HydrophobicContact CD1-CG2 4.18Å; I71-I176 HydrophobicContact CG2-CD1 3.9Å; L79-I176 HydrophobicContact CB-CD1 4.24Å; L79-I176 HydrophobicContact CB-CG1 4.47Å; L79-I176 HydrophobicContact CD1-CD1 3.8Å; L79-I176 HydrophobicContact CD1-CG1 4.45Å; A80-I176 HydrophobicContact CB-CG2 4.27Å; Y166-I176 HydrophobicContact CD1-CG2 4.1Å; Y166-I176 HydrophobicContact CE1-CG2 3.89Å; L172-I176 HydrophobicContact CB-CB 4.19Å; L172-I176 HydrophobicContact CB-CG1 3.68Å; L172-I176 HydrophobicContact CD1-CG1 4.14Å; L172-I176 HydrophobicContact CD2-CG1 4.09Å; L172-I176 HydrophobicContact CG-CG1 4.2Å; L172-I176 WeakPolarHBondContact O-CB 3.28Å; L172-I176 PolarHBondContact O-N 3.31Å; I176-I210 PolarHBondContact O-N 2.87Å; I176-I210 VanDerWaalsContact O-N 3.11Å; I176-E211 HydrophobicContact CG2-CG 4.22Å; I176-E211 WeakPolarHBondContact O-CB 3.24Å; I176-E211 VanDerWaalsContact O-CG 3.28Å; I176-E211 WeakPolarHBondContact O-CG 3.33Å; I176-E211 PolarHBondContact O-N 3.26Å; I176-L252 HydrophobicContact CD1-CD1 3.44Å; I176-L252 VanDerWaalsContact CD1-CD1 3.44Å; I176-L254 HydrophobicContact CD1-CD1 4.29Å
177	G	98.6	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	79.1	-159.1	-173.4	0	0	0	0	0	113.5	T173 L208	T173-G177 WeakPolarHBondContact O-CA 3.48Å; T173-G177 PolarHBondContact O-N 3.41Å; G177-L208 WeakPolarHBondContact CA-O 3.34Å
178	Y	98.6	Very high	97	Very high	24 Å²	24	42.2 Å²	42.2	9%	0.094	21%	0.214	C	C	.	.			trans	-146.6	153.2	176.3	56.7	-93.9	0	0	0	111.9	Y166 K207 L208 Y292 P294 F297	Y166-Y178 WeakPolarHBondContact OH-CA 3.38Å; Y178-K207 HydrophobicContact CD2-CB 4.11Å; Y178-K207 HydrophobicContact CD2-CG 4.11Å; Y178-K207 HydrophobicContact CE2-CB 3.68Å; Y178-K207 HydrophobicContact CE2-CG 3.74Å; Y178-K207 PolarHBondContact O-N 2.98Å; Y178-L208 HydrophobicContact CD1-CD2 4.2Å; Y178-L208 HydrophobicContact CD1-CG 4.4Å; Y178-L208 HydrophobicContact CE1-CD2 3.49Å; Y178-L208 VanDerWaalsContact CE1-CD2 3.49Å; Y178-L208 HydrophobicContact CE1-CG 4.14Å; Y178-Y292 HydrophobicContact CD1-CE2 4.37Å; Y178-Y292 AromaticContact CE1-CE2 3.91Å; Y178-Y292 HydrophobicContact CE1-CE2 3.91Å; Y178-P294 HydrophobicContact CD1-CB 4.18Å; Y178-P294 HydrophobicContact CG-CB 4.46Å; Y178-F297 HydrophobicContact CD1-CB 4.41Å; Y178-F297 HydrophobicContact CD1-CD2 4.15Å; Y178-F297 HydrophobicContact CD1-CG 4.32Å; Y178-F297 HydrophobicContact CD2-CB 3.35Å; Y178-F297 HydrophobicContact CD2-CD1 4.39Å; Y178-F297 HydrophobicContact CD2-CD2 4.48Å; Y178-F297 AromaticContact CD2-CG 3.86Å; Y178-F297 HydrophobicContact CD2-CG 3.86Å; Y178-F297 HydrophobicContact CE1-CB 4.45Å; Y178-F297 HydrophobicContact CE1-CD1 4.35Å; Y178-F297 AromaticContact CE1-CD2 3.84Å; Y178-F297 HydrophobicContact CE1-CD2 3.84Å; Y178-F297 HydrophobicContact CE1-CE2 4.14Å; Y178-F297 AromaticContact CE1-CG 3.96Å; Y178-F297 HydrophobicContact CE1-CG 3.96Å; Y178-F297 HydrophobicContact CE1-CZ 4.48Å; Y178-F297 HydrophobicContact CE2-CB 3.42Å; Y178-F297 VanDerWaalsContact CE2-CB 3.42Å; Y178-F297 AromaticContact CE2-CD1 3.57Å; Y178-F297 HydrophobicContact CE2-CD1 3.57Å; Y178-F297 HydrophobicContact CE2-CD2 4.2Å; Y178-F297 HydrophobicContact CE2-CE1 4.36Å; Y178-F297 AromaticContact CE2-CG 3.46Å; Y178-F297 HydrophobicContact CE2-CG 3.46Å; Y178-F297 VanDerWaalsContact CE2-CG 3.46Å; Y178-F297 HydrophobicContact CG-CB 3.89Å; Y178-F297 HydrophobicContact CG-CD2 4.46Å; Y178-F297 HydrophobicContact CG-CG 4.27Å; Y178-F297 AromaticContact CZ-CD1 3.55Å; Y178-F297 AromaticContact CZ-CD2 3.88Å; Y178-F297 AromaticContact CZ-CE1 3.9Å; Y178-F297 AromaticContact CZ-CG 3.53Å; Y178-F297 WeakPolarHBondContact OH-CD1 3.29Å; Y178-F297 WeakPolarHBondContact OH-CE1 3.48Å
179	V	98.2	Very high	97	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.1	160.6	-51.3	0	0	0	0	109.9	R164 Y166 I205 E211	R164-V179 HydrophobicContact CB-CG2 3.28Å; R164-V179 HydrophobicContact CG-CG2 3.71Å; Y166-V179 PolarHBondContact OH-N 2.92Å; V179-I205 VanDerWaalsContact CA-O 3.31Å; V179-I205 WeakPolarHBondContact CA-O 3.49Å; V179-E211 HydrophobicContact CG1-CB 4.32Å; V179-E211 HydrophobicContact CG1-CG 4.39Å
180	S	96.4	Very high	97	Very high	14 Å²	14	44.2 Å²	44.2	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	172.9	169.4	55.5	0	0	0	0	110.1	I182 D204 I205 K207 F297	S180-I182 PolarHBondContact O-N 3.08Å; S180-D204 WeakPolarHBondContact O-CA 3.5Å; S180-I205 PolarHBondContact N-O 3.42Å; S180-I205 VanDerWaalsContact N-O 3.13Å; S180-I205 PolarHBondContact O-N 3.41Å; S180-K207 VanDerWaalsContact O-CE 3.27Å; S180-K207 WeakPolarHBondContact O-CE 3.27Å; S180-K207 WeakPolarHBondContact OG-CE 3.44Å; S180-K207 WeakPolarHBondContact OG-CG 3.31Å; S180-F297 WeakPolarHBondContact CB-O 3.32Å
181	K	94.1	Very high	97.1	Very high	143 Å²	143	46.7 Å²	46.7	62%	0.622	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-42.3	128.3	-177.1	-170.5	172.7	-179.3	174	0	113.3	N183 H203 D204 K207	K181-N183 PolarHBondContact O-N 3.03Å; K181-H203 CarbonylContact C-O 3.53Å; K181-H203 WeakPolarHBondContact CA-O 3.48Å; K181-D204 PolarHBondContact N-OD1 2.69Å; K181-D204 VanDerWaalsContact N-OD1 3.15Å; K181-K207 WeakPolarHBondContact O-CE 3.24Å; K181-K207 PolarHBondContact O-NZ 2.91Å
182	I	95.5	Very high	97.1	Very high	33 Å²	33	52 Å²	52	17%	0.169	26%	0.255	C	S	.	.			trans	-58	132.8	172.6	-76	168.9	0	0	0	109.4	S180 D186 V187 Y199 T202 H203 I205	S180-I182 PolarHBondContact O-N 3.08Å; I182-D186 HydrophobicContact CG2-CB 4.12Å; I182-V187 HydrophobicContact CG2-CG2 3.62Å; I182-Y199 HydrophobicContact CD1-CD1 3.94Å; I182-T202 HydrophobicContact CD1-CG2 4.46Å; I182-T202 WeakPolarHBondContact CD1-O 3.25Å; I182-H203 PolarHBondContact N-O 3.49Å; I182-I205 HydrophobicContact CD1-CB 4.3Å; I182-I205 HydrophobicContact CG1-CB 3.74Å; I182-I205 HydrophobicContact CG1-CG2 3.62Å
183	N	92.9	Very high	97	Very high	75 Å²	75	55.8 Å²	55.8	40%	0.401	28%	0.276	S	S	.	.			trans	-115.6	174.7	172.3	67.9	45.8	0	0	0	110.7	K181 K185 D186 V187	K181-N183 PolarHBondContact O-N 3.03Å; N183-K185 PolarHBondContact O-N 3.1Å; N183-K185 VanDerWaalsContact O-N 3.15Å; N183-K185 WeakPolarHBondContact OD1-CB 3.32Å; N183-K185 PolarHBondContact OD1-N 3.43Å; N183-D186 PolarHBondContact N-OD2 2.81Å; N183-D186 PolarHBondContact ND2-OD2 2.83Å; N183-D186 WeakPolarHBondContact O-CA 3.44Å; N183-D186 WeakPolarHBondContact O-CB 3.48Å; N183-D186 PolarHBondContact O-N 3.37Å; N183-D186 PolarHBondContact OD1-N 2.91Å; N183-D186 PolarHBondContact OD1-OD2 3.33Å; N183-V187 PolarHBondContact O-N 2.87Å
184	D	95.3	Very high	96.9	Very high	143 Å²	143	59 Å²	59	77%	0.765	31%	0.309	S	S	*	.	H	α-helix	trans	-58.6	-31.3	-175	-58.1	-24.4	0	0	0	113.6	V187 E188	D184-V187 PolarHBondContact O-N 2.88Å; D184-E188 WeakPolarHBondContact O-CB 3.37Å; D184-E188 PolarHBondContact O-N 3.37Å
185	K	96.5	Very high	96.9	Very high	161 Å²	161	61.5 Å²	61.5	70%	0.7	32%	0.32	S	S	*	.	H	α-helix	trans	-71.5	-32	175.9	-66.2	-175.8	176.1	-179.3	0	112.3	N183 R189	N183-K185 PolarHBondContact O-N 3.1Å; N183-K185 VanDerWaalsContact O-N 3.15Å; N183-K185 WeakPolarHBondContact OD1-CB 3.32Å; N183-K185 PolarHBondContact OD1-N 3.43Å; K185-R189 WeakPolarHBondContact O-CB 3.27Å; K185-R189 PolarHBondContact O-N 2.8Å
186	D	97.3	Very high	96.8	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-70.6	-40.9	172.9	-57	-56	0	0	0	110.6	I182 N183 E188 R189 L190 I205 K207	I182-D186 HydrophobicContact CG2-CB 4.12Å; N183-D186 PolarHBondContact N-OD2 2.81Å; N183-D186 PolarHBondContact ND2-OD2 2.83Å; N183-D186 WeakPolarHBondContact O-CA 3.44Å; N183-D186 WeakPolarHBondContact O-CB 3.48Å; N183-D186 PolarHBondContact O-N 3.37Å; N183-D186 PolarHBondContact OD1-N 2.91Å; N183-D186 PolarHBondContact OD1-OD2 3.33Å; D186-E188 VanDerWaalsContact C-N 3.33Å; D186-E188 PolarHBondContact O-N 2.6Å; D186-R189 PolarHBondContact O-N 3.07Å; D186-R189 IonicContact OD1-CZ 3.93Å; D186-R189 VanDerWaalsContact OD1-CZ 3.31Å; D186-R189 IonicContact OD1-NH1 3.9Å; D186-R189 PolarHBondContact OD1-NH1 2.98Å; D186-R189 IonicContact OD1-NH2 2.9Å; D186-R189 PolarHBondContact OD1-NH2 3.13Å; D186-L190 WeakPolarHBondContact O-CB 3.41Å; D186-L190 VanDerWaalsContact O-CG 3.25Å; D186-L190 WeakPolarHBondContact O-CG 3.39Å; D186-L190 PolarHBondContact O-N 3.15Å; D186-I205 HydrophobicContact CB-CG2 4.05Å; D186-K207 IonicContact OD1-NZ 3.25Å; D186-K207 IonicContact OD2-NZ 3.62Å; D186-K207 PolarHBondContact OD2-NZ 3.15Å
187	V	96.2	Very high	96.6	Very high	57 Å²	57	68.7 Å²	68.7	35%	0.345	37%	0.37	S	S	.	.	H	α-helix	trans	-59.1	-46.3	173.6	175.9	0	0	0	0	110.5	I182 N183 D184 L190 N191 L196	I182-V187 HydrophobicContact CG2-CG2 3.62Å; N183-V187 PolarHBondContact O-N 2.87Å; D184-V187 PolarHBondContact O-N 2.88Å; V187-L190 PolarHBondContact O-N 2.82Å; V187-N191 VanDerWaalsContact O-CB 3.24Å; V187-N191 WeakPolarHBondContact O-CB 3.45Å; V187-N191 PolarHBondContact O-N 2.87Å; V187-L196 HydrophobicContact CG1-CD1 4.03Å; V187-L196 HydrophobicContact CG1-CD2 4.3Å
188	E	96.9	Very high	96.6	Very high	119 Å²	119	70.3 Å²	70.3	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-48.2	175.9	-173.8	-176.2	175.6	0	0	111.6	D184 D186 N191 N192	D184-E188 WeakPolarHBondContact O-CB 3.37Å; D184-E188 PolarHBondContact O-N 3.37Å; D186-E188 VanDerWaalsContact C-N 3.33Å; D186-E188 PolarHBondContact O-N 2.6Å; E188-N191 PolarHBondContact O-N 2.93Å; E188-N192 WeakPolarHBondContact O-CB 3.45Å; E188-N192 PolarHBondContact O-N 2.82Å; E188-N192 PolarHBondContact O-ND2 2.84Å
189	R	96.7	Very high	96.5	Very high	72 Å²	72	69.8 Å²	69.8	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-51.5	176.8	-178	177.7	69.9	-111.4	3.8	111.6	K185 D186 N191 N192 D193 I205	K185-R189 WeakPolarHBondContact O-CB 3.27Å; K185-R189 PolarHBondContact O-N 2.8Å; D186-R189 PolarHBondContact O-N 3.07Å; D186-R189 IonicContact OD1-CZ 3.93Å; D186-R189 VanDerWaalsContact OD1-CZ 3.31Å; D186-R189 IonicContact OD1-NH1 3.9Å; D186-R189 PolarHBondContact OD1-NH1 2.98Å; D186-R189 IonicContact OD1-NH2 2.9Å; D186-R189 PolarHBondContact OD1-NH2 3.13Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 2.62Å; R189-N192 PolarHBondContact O-N 2.81Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 3.28Å; R189-I205 VanDerWaalsContact NH2-CD1 3.35Å
190	L	97.4	Very high	96.2	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-60.3	-37	178.9	-73.3	172.3	0	0	0	112.1	D186 V187 G194 K195 L196 Y199 I205	D186-L190 WeakPolarHBondContact O-CB 3.41Å; D186-L190 VanDerWaalsContact O-CG 3.25Å; D186-L190 WeakPolarHBondContact O-CG 3.39Å; D186-L190 PolarHBondContact O-N 3.15Å; V187-L190 PolarHBondContact O-N 2.82Å; L190-G194 PolarHBondContact O-N 2.94Å; L190-K195 HydrophobicContact CD2-CB 3.89Å; L190-K195 HydrophobicContact CD2-CD 4.43Å; L190-K195 PolarHBondContact O-N 2.95Å; L190-L196 HydrophobicContact CB-CB 4.29Å; L190-L196 HydrophobicContact CB-CD1 4.13Å; L190-L196 HydrophobicContact CD1-CD1 4.43Å; L190-L196 PolarHBondContact O-N 2.88Å; L190-L196 VanDerWaalsContact O-N 3.14Å; L190-Y199 HydrophobicContact CD1-CD1 3.72Å; L190-Y199 HydrophobicContact CD1-CD2 4.02Å; L190-Y199 HydrophobicContact CD1-CE1 4.03Å; L190-Y199 HydrophobicContact CD1-CE2 4.33Å; L190-Y199 HydrophobicContact CD1-CG 3.71Å; L190-Y199 HydrophobicContact CD2-CD2 3.86Å; L190-Y199 HydrophobicContact CD2-CE1 4.16Å; L190-Y199 HydrophobicContact CD2-CE2 3.47Å; L190-Y199 VanDerWaalsContact CD2-CE2 3.47Å; L190-Y199 HydrophobicContact CD2-CG 4.37Å; L190-I205 HydrophobicContact CD1-CD1 3.98Å; L190-I205 HydrophobicContact CD2-CD1 4Å; L190-I205 HydrophobicContact CG-CD1 4.09Å
191	N	97.3	Very high	95.9	Very high	98 Å²	98	72.9 Å²	72.9	52%	0.524	40%	0.404	S	S	.	.	H	α-helix	trans	-68	-46.5	176.6	-171.7	57.7	0	0	0	111.5	V187 E188 R189 D193 G194 L196	V187-N191 VanDerWaalsContact O-CB 3.24Å; V187-N191 WeakPolarHBondContact O-CB 3.45Å; V187-N191 PolarHBondContact O-N 2.87Å; E188-N191 PolarHBondContact O-N 2.93Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 2.62Å; N191-D193 VanDerWaalsContact C-N 3.27Å; N191-D193 PolarHBondContact O-N 2.78Å; N191-G194 PolarHBondContact O-N 2.78Å; N191-G194 VanDerWaalsContact O-N 3.08Å; N191-L196 HydrophobicContact CB-CB 4.45Å; N191-L196 HydrophobicContact CB-CD2 4.12Å
192	N	97.3	Very high	95.9	Very high	114 Å²	114	67.1 Å²	67.1	61%	0.61	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-34.9	178.4	-67.5	-17.1	0	0	0	112	E188 R189 G194	E188-N192 WeakPolarHBondContact O-CB 3.45Å; E188-N192 PolarHBondContact O-N 2.82Å; E188-N192 PolarHBondContact O-ND2 2.84Å; R189-N192 PolarHBondContact O-N 2.81Å; N192-G194 VanDerWaalsContact C-N 3.26Å; N192-G194 PolarHBondContact O-N 3.14Å
193	D	96.7	Very high	95.8	Very high	89 Å²	89	70.9 Å²	70.9	48%	0.476	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.8	177.3	-65	-7.3	0	0	0	113	R189 N191 K195	R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 3.28Å; N191-D193 VanDerWaalsContact C-N 3.27Å; N191-D193 PolarHBondContact O-N 2.78Å; D193-K195 VanDerWaalsContact C-N 3.3Å; D193-K195 HydrophobicContact CB-CD 3.85Å; D193-K195 HydrophobicContact CB-CG 4.13Å; D193-K195 PolarHBondContact O-N 3.25Å; D193-K195 IonicContact OD2-NZ 2.76Å
194	G	97.3	Very high	95.9	Very high	68 Å²	68	68.7 Å²	68.7	70%	0.701	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	19.3	-179.4	0	0	0	0	0	114.8	L190 N191 N192	L190-G194 PolarHBondContact O-N 2.94Å; N191-G194 PolarHBondContact O-N 2.78Å; N191-G194 VanDerWaalsContact O-N 3.08Å; N192-G194 VanDerWaalsContact C-N 3.26Å; N192-G194 PolarHBondContact O-N 3.14Å
195	K	97.5	Very high	96	Very high	62 Å²	62	62 Å²	62	27%	0.27	35%	0.35	S	S	.	.			trans	-101.5	-15.2	-173.4	-65.9	170.1	-176.1	174.9	0	114	L190 D193 A197 N198 Y199 D216	L190-K195 HydrophobicContact CD2-CB 3.89Å; L190-K195 HydrophobicContact CD2-CD 4.43Å; L190-K195 PolarHBondContact O-N 2.95Å; D193-K195 VanDerWaalsContact C-N 3.3Å; D193-K195 HydrophobicContact CB-CD 3.85Å; D193-K195 HydrophobicContact CB-CG 4.13Å; D193-K195 PolarHBondContact O-N 3.25Å; D193-K195 IonicContact OD2-NZ 2.76Å; K195-A197 PolarHBondContact O-N 2.92Å; K195-N198 WeakPolarHBondContact O-CB 3.48Å; K195-N198 PolarHBondContact O-N 3.36Å; K195-Y199 HydrophobicContact CB-CE2 4.34Å; K195-Y199 WeakPolarHBondContact O-CD2 3.37Å; K195-D216 WeakPolarHBondContact CD-OD1 3.32Å; K195-D216 VanDerWaalsContact CE-OD1 3.26Å; K195-D216 WeakPolarHBondContact CE-OD1 3.4Å; K195-D216 WeakPolarHBondContact CE-OD2 3.38Å; K195-D216 IonicContact NZ-OD1 3.05Å; K195-D216 PolarHBondContact NZ-OD1 2.93Å; K195-D216 IonicContact NZ-OD2 3.29Å; K195-D216 PolarHBondContact NZ-OD2 3.27Å
196	L	96.5	Very high	96.1	Very high	62 Å²	62	54.3 Å²	54.3	33%	0.325	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-53.8	-34.1	-171.9	-172	65.9	0	0	0	113.9	V187 L190 N191 N198 Y199	V187-L196 HydrophobicContact CG1-CD1 4.03Å; V187-L196 HydrophobicContact CG1-CD2 4.3Å; L190-L196 HydrophobicContact CB-CB 4.29Å; L190-L196 HydrophobicContact CB-CD1 4.13Å; L190-L196 HydrophobicContact CD1-CD1 4.43Å; L190-L196 PolarHBondContact O-N 2.88Å; L190-L196 VanDerWaalsContact O-N 3.14Å; N191-L196 HydrophobicContact CB-CB 4.45Å; N191-L196 HydrophobicContact CB-CD2 4.12Å; L196-N198 PolarHBondContact O-N 3.39Å; L196-Y199 PolarHBondContact O-N 3.44Å
197	A	95.9	Very high	96.2	Very high	91 Å²	91	55.7 Å²	55.7	75%	0.752	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-58.8	-34.7	177	0	0	0	0	0	113	K195 Y199	K195-A197 PolarHBondContact O-N 2.92Å; A197-Y199 PolarHBondContact O-N 3.41Å
198	N	97.6	Very high	96.3	Very high	33 Å²	33	54 Å²	54	18%	0.176	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-76.6	-6.1	178.7	-163.3	30.2	0	0	0	113	K195 L196 H219 G220 Q221 T222	K195-N198 WeakPolarHBondContact O-CB 3.48Å; K195-N198 PolarHBondContact O-N 3.36Å; L196-N198 PolarHBondContact O-N 3.39Å; N198-H219 PolarHBondContact ND2-ND1 3.17Å; N198-H219 PolarHBondContact O-CE1 2.64Å; N198-G220 PolarHBondContact ND2-O 3.47Å; N198-Q221 PolarHBondContact OD1-NE2 3.33Å; N198-Q221 VanDerWaalsContact OD1-NE2 3.14Å; N198-T222 PolarHBondContact O-OG1 2.93Å; N198-T222 WeakPolarHBondContact OD1-CB 3.3Å; N198-T222 PolarHBondContact OD1-N 3.16Å
199	Y	96.5	Very high	96.3	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.055	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-107.4	15.4	-177.7	-75.5	-106.8	0	0	0	112.9	I182 L190 K195 L196 A197 A201 T202 I205 E215 H219	I182-Y199 HydrophobicContact CD1-CD1 3.94Å; L190-Y199 HydrophobicContact CD1-CD1 3.72Å; L190-Y199 HydrophobicContact CD1-CD2 4.02Å; L190-Y199 HydrophobicContact CD1-CE1 4.03Å; L190-Y199 HydrophobicContact CD1-CE2 4.33Å; L190-Y199 HydrophobicContact CD1-CG 3.71Å; L190-Y199 HydrophobicContact CD2-CD2 3.86Å; L190-Y199 HydrophobicContact CD2-CE1 4.16Å; L190-Y199 HydrophobicContact CD2-CE2 3.47Å; L190-Y199 VanDerWaalsContact CD2-CE2 3.47Å; L190-Y199 HydrophobicContact CD2-CG 4.37Å; K195-Y199 HydrophobicContact CB-CE2 4.34Å; K195-Y199 WeakPolarHBondContact O-CD2 3.37Å; L196-Y199 PolarHBondContact O-N 3.44Å; A197-Y199 PolarHBondContact O-N 3.41Å; Y199-A201 PolarHBondContact O-N 3.19Å; Y199-A201 VanDerWaalsContact O-N 3.1Å; Y199-T202 HydrophobicContact CD1-CG2 3.75Å; Y199-T202 HydrophobicContact CE1-CG2 4.14Å; Y199-T202 PolarHBondContact O-N 3.1Å; Y199-I205 HydrophobicContact CE1-CD1 4Å; Y199-I205 HydrophobicContact CE1-CG1 4.39Å; Y199-E215 VanDerWaalsContact OH-CG 3.24Å; Y199-E215 WeakPolarHBondContact OH-CG 3.44Å; Y199-E215 PolarHBondContact OH-OE1 2.83Å; Y199-E215 VanDerWaalsContact OH-OE1 3.06Å; Y199-H219 AromaticContact CD1-CD2 3.95Å; Y199-H219 AromaticContact CD1-NE2 3.7Å; Y199-H219 AromaticContact CE1-CD2 3.39Å; Y199-H219 WeakPolarHBondContact CE1-CD2 3.11Å; Y199-H219 AromaticContact CE1-NE2 3.64Å; Y199-H219 AromaticContact CZ-CD2 3.52Å; Y199-H219 AromaticContact CZ-CG 3.88Å; Y199-H219 AromaticContact CZ-NE2 3.89Å
200	A	92.2	Very high	96.4	Very high	64 Å²	64	45 Å²	45	53%	0.529	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.5	-174.6	0	0	0	0	0	114.5	P63	P63-A200 HydrophobicContact CB-CB 3.94Å; P63-A200 HydrophobicContact CG-CB 3.96Å
201	A	91.2	Very high	96.5	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	2.1	174.8	0	0	0	0	0	113.6	P63 A65 Y199	P63-A201 HydrophobicContact CB-CB 3.84Å; P63-A201 HydrophobicContact CG-CB 3.94Å; A65-A201 HydrophobicContact CB-CB 3.89Å; Y199-A201 PolarHBondContact O-N 3.19Å; Y199-A201 VanDerWaalsContact O-N 3.1Å
202	T	93.7	Very high	96.6	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.135	26%	0.263	C	S	.	.			trans	-97.2	131.2	-176.7	-58.2	0	0	0	0	109.5	I182 Y199 D204 H219	I182-T202 HydrophobicContact CD1-CG2 4.46Å; I182-T202 WeakPolarHBondContact CD1-O 3.25Å; Y199-T202 HydrophobicContact CD1-CG2 3.75Å; Y199-T202 HydrophobicContact CE1-CG2 4.14Å; Y199-T202 PolarHBondContact O-N 3.1Å; T202-D204 VanDerWaalsContact CG2-O 3.25Å; T202-D204 WeakPolarHBondContact CG2-O 3.34Å; T202-H219 WeakPolarHBondContact CB-NE2 3.15Å; T202-H219 WeakPolarHBondContact CG2-NE2 3.02Å; T202-H219 PolarHBondContact OG1-NE2 2.88Å
203	H	92.2	Very high	96.6	Very high	112 Å²	112	44.5 Å²	44.5	52%	0.519	26%	0.255	S	S	.	.			trans	-118.5	-2.9	-174.4	-58.1	-36.8	0	0	0	113.6	K181 I182	K181-H203 CarbonylContact C-O 3.53Å; K181-H203 WeakPolarHBondContact CA-O 3.48Å; I182-H203 PolarHBondContact N-O 3.49Å
204	D	95.6	Very high	96.7	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.1	-175.5	-62.5	-91	0	0	0	109.4	R163 S180 K181 T202	R163-D204 IonicContact NH1-OD1 3.71Å; R163-D204 IonicContact NH1-OD2 2.66Å; R163-D204 PolarHBondContact NH1-OD2 2.98Å; S180-D204 WeakPolarHBondContact O-CA 3.5Å; K181-D204 PolarHBondContact N-OD1 2.69Å; K181-D204 VanDerWaalsContact N-OD1 3.15Å; T202-D204 VanDerWaalsContact CG2-O 3.25Å; T202-D204 WeakPolarHBondContact CG2-O 3.34Å
205	I	98	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.1	-177.4	-168	162	0	0	0	110.6	V179 S180 I182 D186 R189 L190 Y199 K207 E215	V179-I205 VanDerWaalsContact CA-O 3.31Å; V179-I205 WeakPolarHBondContact CA-O 3.49Å; S180-I205 PolarHBondContact N-O 3.42Å; S180-I205 VanDerWaalsContact N-O 3.13Å; S180-I205 PolarHBondContact O-N 3.41Å; I182-I205 HydrophobicContact CD1-CB 4.3Å; I182-I205 HydrophobicContact CG1-CB 3.74Å; I182-I205 HydrophobicContact CG1-CG2 3.62Å; D186-I205 HydrophobicContact CB-CG2 4.05Å; R189-I205 VanDerWaalsContact NH2-CD1 3.35Å; L190-I205 HydrophobicContact CD1-CD1 3.98Å; L190-I205 HydrophobicContact CD2-CD1 4Å; L190-I205 HydrophobicContact CG-CD1 4.09Å; Y199-I205 HydrophobicContact CE1-CD1 4Å; Y199-I205 HydrophobicContact CE1-CG1 4.39Å; I205-K207 HydrophobicContact CG2-CD 4.16Å; I205-K207 PolarHBondContact O-N 2.98Å; I205-E215 HydrophobicContact CD1-CG 4.17Å; I205-E215 HydrophobicContact CG1-CG 3.82Å
206	G	98.4	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	125.5	172.4	0	0	0	0	0	112.2	E215	G206-E215 WeakPolarHBondContact CA-OE2 3.39Å; G206-E215 PolarHBondContact N-OE2 2.94Å
207	K	98.4	Very high	96.8	Very high	37 Å²	37	39.1 Å²	39.1	16%	0.161	21%	0.212	C	C	.	.			trans	-100.6	-27.8	-174.6	-62.5	-59.4	-177.5	165	0	114.6	Y178 S180 K181 D186 I205 R212	Y178-K207 HydrophobicContact CD2-CB 4.11Å; Y178-K207 HydrophobicContact CD2-CG 4.11Å; Y178-K207 HydrophobicContact CE2-CB 3.68Å; Y178-K207 HydrophobicContact CE2-CG 3.74Å; Y178-K207 PolarHBondContact O-N 2.98Å; S180-K207 VanDerWaalsContact O-CE 3.27Å; S180-K207 WeakPolarHBondContact O-CE 3.27Å; S180-K207 WeakPolarHBondContact OG-CE 3.44Å; S180-K207 WeakPolarHBondContact OG-CG 3.31Å; K181-K207 WeakPolarHBondContact O-CE 3.24Å; K181-K207 PolarHBondContact O-NZ 2.91Å; D186-K207 IonicContact OD1-NZ 3.25Å; D186-K207 IonicContact OD2-NZ 3.62Å; D186-K207 PolarHBondContact OD2-NZ 3.15Å; I205-K207 HydrophobicContact CG2-CD 4.16Å; I205-K207 PolarHBondContact O-N 2.98Å; K207-R212 VanDerWaalsContact O-CD 3.26Å; K207-R212 WeakPolarHBondContact O-CD 3.07Å
208	L	98.2	Very high	96.9	Very high	22 Å²	22	34.8 Å²	34.8	12%	0.115	18%	0.176	C	C	.	.	S	Bend	trans	-158.9	177.5	175	64.7	97.1	0	0	0	109.7	T173 G177 Y178 R212 Y292 E423	T173-L208 WeakPolarHBondContact O-CD1 3.17Å; G177-L208 WeakPolarHBondContact CA-O 3.34Å; Y178-L208 HydrophobicContact CD1-CD2 4.2Å; Y178-L208 HydrophobicContact CD1-CG 4.4Å; Y178-L208 HydrophobicContact CE1-CD2 3.49Å; Y178-L208 VanDerWaalsContact CE1-CD2 3.49Å; Y178-L208 HydrophobicContact CE1-CG 4.14Å; L208-R212 PolarHBondContact O-N 3.19Å; L208-Y292 WeakPolarHBondContact CD2-OH 3.2Å; L208-E423 WeakPolarHBondContact CA-OE1 3.31Å; L208-E423 VanDerWaalsContact CB-CD 3.49Å; L208-E423 HydrophobicContact CB-CG 4.11Å
209	G	98.7	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	70.3	-161.5	174.3	0	0	0	0	0	112.5	V175 E211 R212 Y213 L421 E423	V175-G209 CarbonylContact O-C 3.52Å; V175-G209 WeakPolarHBondContact O-CA 3.46Å; G209-E211 VanDerWaalsContact C-N 3.26Å; G209-E211 PolarHBondContact O-N 3.48Å; G209-R212 PolarHBondContact O-N 2.9Å; G209-Y213 PolarHBondContact O-N 3.2Å; G209-L421 VanDerWaalsContact C-CD2 3.5Å; G209-E423 PolarHBondContact N-OE2 3.49Å
210	I	98.8	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-38.9	172.1	-72.5	-67.8	0	0	0	111.8	I71 V175 I176 R212 Y213 Y214 I250 L252 L421 L483	I71-I210 HydrophobicContact CD1-CG2 3.89Å; I71-I210 HydrophobicContact CG2-CG2 4.39Å; V175-I210 WeakPolarHBondContact O-CG1 3.38Å; V175-I210 PolarHBondContact O-N 3.44Å; I176-I210 PolarHBondContact O-N 2.87Å; I176-I210 VanDerWaalsContact O-N 3.11Å; I210-R212 PolarHBondContact O-N 3.34Å; I210-Y213 PolarHBondContact O-N 2.71Å; I210-Y214 HydrophobicContact CD1-CD2 3.72Å; I210-Y214 HydrophobicContact CD1-CE2 3.76Å; I210-Y214 HydrophobicContact CG2-CD2 4.11Å; I210-Y214 WeakPolarHBondContact O-CB 3.4Å; I210-Y214 PolarHBondContact O-N 3.38Å; I210-I250 HydrophobicContact CG2-CD1 3.29Å; I210-L252 HydrophobicContact CD1-CD2 4.11Å; I210-L252 HydrophobicContact CG1-CD1 4.09Å; I210-L252 HydrophobicContact CG1-CD2 4.34Å; I210-L252 HydrophobicContact CG2-CD1 4.39Å; I210-L252 HydrophobicContact CG2-CD2 4.26Å; I210-L421 HydrophobicContact CD1-CD2 4.3Å; I210-L421 HydrophobicContact CG1-CD2 4.19Å; I210-L483 HydrophobicContact CD1-CB 3.74Å; I210-L483 HydrophobicContact CD1-CD1 3.76Å; I210-L483 HydrophobicContact CD1-CG 4.38Å; I210-L483 HydrophobicContact CG1-CB 4.43Å; I210-L483 HydrophobicContact CG1-CD1 4.02Å
211	E	98.8	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-38.4	177.2	-72.2	-82.4	-152.5	0	0	112	R68 I71 R164 Y166 I176 V179 G209 E215	R68-E211 IonicContact CZ-OE2 3.31Å; R68-E211 VanDerWaalsContact CZ-OE2 3.23Å; R68-E211 IonicContact NE-OE2 3.7Å; R68-E211 PolarHBondContact NE-OE2 2.79Å; R68-E211 PolarHBondContact NH2-O 3.04Å; R68-E211 IonicContact NH2-OE2 2.78Å; R68-E211 PolarHBondContact NH2-OE2 3.02Å; I71-E211 HydrophobicContact CD1-CG 4.01Å; R164-E211 WeakPolarHBondContact CG-OE1 3.5Å; R164-E211 IonicContact CZ-OE1 3.64Å; R164-E211 IonicContact NE-OE1 3.16Å; R164-E211 PolarHBondContact NE-OE1 3.29Å; R164-E211 IonicContact NE-OE2 2.76Å; R164-E211 IonicContact NH2-OE1 2.87Å; R164-E211 PolarHBondContact NH2-OE1 2.57Å; R164-E211 IonicContact NH2-OE2 3.07Å; Y166-E211 HydrophobicContact CE1-CG 4.31Å; Y166-E211 WeakPolarHBondContact CE1-OE1 3.48Å; Y166-E211 PolarHBondContact OH-OE1 2.95Å; I176-E211 HydrophobicContact CG2-CG 4.22Å; I176-E211 WeakPolarHBondContact O-CB 3.24Å; I176-E211 VanDerWaalsContact O-CG 3.28Å; I176-E211 WeakPolarHBondContact O-CG 3.33Å; I176-E211 PolarHBondContact O-N 3.26Å; V179-E211 HydrophobicContact CG1-CB 4.32Å; V179-E211 HydrophobicContact CG1-CG 4.39Å; G209-E211 VanDerWaalsContact C-N 3.26Å; G209-E211 PolarHBondContact O-N 3.48Å; E211-E215 WeakPolarHBondContact O-CA 3.4Å; E211-E215 PolarHBondContact O-N 2.82Å
212	R	98.6	Very high	97.4	Very high	94 Å²	94	35.2 Å²	35.2	36%	0.355	17%	0.169	S	C	.	.	H	α-helix	trans	-82.1	-45.7	176.9	176.6	176.9	172.7	-165.9	4.9	112.9	K207 L208 G209 I210 Y214 E215 E423	K207-R212 VanDerWaalsContact O-CD 3.26Å; K207-R212 WeakPolarHBondContact O-CD 3.07Å; L208-R212 PolarHBondContact O-N 3.19Å; G209-R212 PolarHBondContact O-N 2.9Å; I210-R212 PolarHBondContact O-N 3.34Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; R212-E215 VanDerWaalsContact O-CB 3.32Å; R212-E215 WeakPolarHBondContact O-CB 3.31Å; R212-E215 PolarHBondContact O-N 3.03Å; R212-E423 WeakPolarHBondContact CD-OE1 3.14Å; R212-E423 IonicContact CZ-OE1 3.46Å; R212-E423 IonicContact NE-OE1 3.11Å; R212-E423 IonicContact NH1-OE1 3.35Å; R212-E423 PolarHBondContact NH1-OE1 3.28Å
213	Y	98.6	Very high	97.5	Very high	112 Å²	112	34.4 Å²	34.4	44%	0.439	17%	0.165	S	C	.	.	H	α-helix	trans	-65.2	-41.4	-174.2	-171	-87.3	0	0	0	111.3	G209 I210 D420	G209-Y213 PolarHBondContact O-N 3.2Å; I210-Y213 PolarHBondContact O-N 2.71Å; Y213-D420 VanDerWaalsContact CB-O 3.3Å; Y213-D420 WeakPolarHBondContact CB-O 3.44Å; Y213-D420 HydrophobicContact CD1-CB 3.65Å; Y213-D420 WeakPolarHBondContact CD1-O 3.49Å; Y213-D420 VanDerWaalsContact CD2-C 3.46Å; Y213-D420 HydrophobicContact CE1-CB 3.44Å; Y213-D420 VanDerWaalsContact CE1-CB 3.44Å; Y213-D420 HydrophobicContact CG-CB 4.31Å
214	Y	98.6	Very high	97.7	Very high	29 Å²	29	33.2 Å²	33.2	11%	0.114	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	22.7	177.4	-72.6	-68.1	0	0	0	113	I210 R212 D216 V217 L218 I250 D420 L484	I210-Y214 HydrophobicContact CD1-CD2 3.72Å; I210-Y214 HydrophobicContact CD1-CE2 3.76Å; I210-Y214 HydrophobicContact CG2-CD2 4.11Å; I210-Y214 WeakPolarHBondContact O-CB 3.4Å; I210-Y214 PolarHBondContact O-N 3.38Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; Y214-D216 VanDerWaalsContact C-N 3.26Å; Y214-D216 PolarHBondContact O-N 2.79Å; Y214-V217 HydrophobicContact CD1-CG2 3.76Å; Y214-V217 HydrophobicContact CG-CG2 4.14Å; Y214-V217 WeakPolarHBondContact O-CG2 3.07Å; Y214-V217 PolarHBondContact O-N 2.78Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.29Å; Y214-L218 VanDerWaalsContact O-CG 3.31Å; Y214-L218 WeakPolarHBondContact O-CG 3.32Å; Y214-L218 PolarHBondContact O-N 2.89Å; Y214-I250 HydrophobicContact CD2-CD1 4.41Å; Y214-D420 HydrophobicContact CE2-CB 3.69Å; Y214-D420 WeakPolarHBondContact OH-CB 3.14Å; Y214-D420 PolarHBondContact OH-OD2 2.96Å; Y214-L484 HydrophobicContact CE1-CD2 3.74Å; Y214-L484 HydrophobicContact CE2-CB 3.91Å; Y214-L484 WeakPolarHBondContact OH-CB 3.25Å; Y214-L484 WeakPolarHBondContact OH-CD2 3.44Å
215	E	98.5	Very high	97.6	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-51.3	-45.6	-179	173.5	58.8	-146.8	0	0	112.1	R68 Y199 I205 G206 E211 R212 V217 L218 H219	R68-E215 IonicContact CZ-OE1 2.67Å; R68-E215 IonicContact CZ-OE2 3.11Å; R68-E215 VanDerWaalsContact CZ-OE2 3.22Å; R68-E215 IonicContact NH1-OE1 2.85Å; R68-E215 PolarHBondContact NH1-OE1 3.2Å; R68-E215 IonicContact NH1-OE2 3.49Å; R68-E215 PolarHBondContact NH1-OE2 3.15Å; R68-E215 IonicContact NH2-OE2 3.85Å; R68-E215 PolarHBondContact NH2-OE2 3.34Å; Y199-E215 VanDerWaalsContact OH-CG 3.24Å; Y199-E215 WeakPolarHBondContact OH-CG 3.44Å; Y199-E215 PolarHBondContact OH-OE1 2.83Å; Y199-E215 VanDerWaalsContact OH-OE1 3.06Å; I205-E215 HydrophobicContact CD1-CG 4.17Å; I205-E215 HydrophobicContact CG1-CG 3.82Å; G206-E215 WeakPolarHBondContact CA-OE2 3.39Å; G206-E215 PolarHBondContact N-OE2 2.94Å; E211-E215 WeakPolarHBondContact O-CA 3.4Å; E211-E215 PolarHBondContact O-N 2.82Å; R212-E215 VanDerWaalsContact O-CB 3.32Å; R212-E215 WeakPolarHBondContact O-CB 3.31Å; R212-E215 PolarHBondContact O-N 3.03Å; E215-V217 PolarHBondContact O-N 3.12Å; E215-L218 PolarHBondContact O-N 2.83Å; E215-H219 WeakPolarHBondContact O-CB 3.39Å; E215-H219 PolarHBondContact O-N 3.2Å; E215-H219 IonicContact OE1-CD2 2.78Å
216	D	97.5	Very high	97.3	Very high	85 Å²	85	36.4 Å²	36.4	46%	0.455	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-43.7	-175	-62	-29.6	0	0	0	112.4	K195 Y214	K195-D216 WeakPolarHBondContact CD-OD1 3.32Å; K195-D216 VanDerWaalsContact CE-OD1 3.26Å; K195-D216 WeakPolarHBondContact CE-OD1 3.4Å; K195-D216 WeakPolarHBondContact CE-OD2 3.38Å; K195-D216 IonicContact NZ-OD1 3.05Å; K195-D216 PolarHBondContact NZ-OD1 2.93Å; K195-D216 IonicContact NZ-OD2 3.29Å; K195-D216 PolarHBondContact NZ-OD2 3.27Å; Y214-D216 VanDerWaalsContact C-N 3.26Å; Y214-D216 PolarHBondContact O-N 2.79Å
217	V	96.8	Very high	96.9	Very high	43 Å²	43	36.5 Å²	36.5	26%	0.261	17%	0.171	S	C	.	.	H	α-helix	trans	-75.9	-35.7	179.9	-60.6	0	0	0	0	111.2	Y214 E215 G247 H248 I250	Y214-V217 HydrophobicContact CD1-CG2 3.76Å; Y214-V217 HydrophobicContact CG-CG2 4.14Å; Y214-V217 WeakPolarHBondContact O-CG2 3.07Å; Y214-V217 PolarHBondContact O-N 2.78Å; E215-V217 PolarHBondContact O-N 3.12Å; V217-G247 CarbonylContact O-C 3.55Å; V217-G247 WeakPolarHBondContact O-CA 3.39Å; V217-H248 PolarHBondContact O-N 3.38Å; V217-I250 HydrophobicContact CG2-CG2 4.23Å
218	L	98.2	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.7	-28.8	178.5	-73.8	169.7	0	0	0	112.6	R68 G69 I71 Y214 E215 G247 I250	R68-L218 CarbonylContact C-O 3.52Å; R68-L218 VanDerWaalsContact CA-O 3.23Å; R68-L218 WeakPolarHBondContact CA-O 3.2Å; R68-L218 HydrophobicContact CG-CB 4.21Å; R68-L218 WeakPolarHBondContact CG-O 3.5Å; G69-L218 PolarHBondContact N-O 2.76Å; I71-L218 HydrophobicContact CD1-CD1 4Å; I71-L218 HydrophobicContact CD1-CD2 4.47Å; I71-L218 HydrophobicContact CG1-CD1 4.35Å; I71-L218 HydrophobicContact CG1-CD2 3.93Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.29Å; Y214-L218 VanDerWaalsContact O-CG 3.31Å; Y214-L218 WeakPolarHBondContact O-CG 3.32Å; Y214-L218 PolarHBondContact O-N 2.89Å; E215-L218 PolarHBondContact O-N 2.83Å; L218-G247 WeakPolarHBondContact O-CA 3.46Å; L218-I250 HydrophobicContact CD1-CD1 4.08Å; L218-I250 HydrophobicContact CD2-CD1 3.92Å; L218-I250 HydrophobicContact CD2-CG1 4.04Å; L218-I250 HydrophobicContact CD2-CG2 4.27Å; L218-I250 HydrophobicContact CG-CD1 4.21Å
219	H	98.1	Very high	95.6	Very high	6 Å²	6	35 Å²	35	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-51.5	-176.2	178.6	-88	0	0	0	111.9	P66 N198 Y199 T202 E215	P66-H219 WeakPolarHBondContact CB-O 3.49Å; P66-H219 WeakPolarHBondContact CG-O 3.28Å; N198-H219 PolarHBondContact ND2-ND1 3.17Å; N198-H219 PolarHBondContact O-CE1 2.64Å; Y199-H219 AromaticContact CD1-CD2 3.95Å; Y199-H219 AromaticContact CD1-NE2 3.7Å; Y199-H219 AromaticContact CE1-CD2 3.39Å; Y199-H219 WeakPolarHBondContact CE1-CD2 3.11Å; Y199-H219 AromaticContact CE1-NE2 3.64Å; Y199-H219 AromaticContact CZ-CD2 3.52Å; Y199-H219 AromaticContact CZ-CG 3.88Å; Y199-H219 AromaticContact CZ-NE2 3.89Å; T202-H219 WeakPolarHBondContact CB-NE2 3.15Å; T202-H219 WeakPolarHBondContact CG2-NE2 3.02Å; T202-H219 PolarHBondContact OG1-NE2 2.88Å; E215-H219 WeakPolarHBondContact O-CB 3.39Å; E215-H219 PolarHBondContact O-N 3.2Å; E215-H219 IonicContact OE1-CD2 2.78Å
220	G	96.4	Very high	94.8	Very high	15 Å²	15	37.4 Å²	37.4	16%	0.155	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.4	-166.6	-172.3	0	0	0	0	0	113.4	N198 Q245 G247	N198-G220 PolarHBondContact ND2-O 3.47Å; G220-Q245 WeakPolarHBondContact CA-O 3.48Å; G220-G247 VanDerWaalsContact CA-CA 3.46Å
221	Q	96.8	Very high	93.8	Very high	97 Å²	97	45 Å²	45	45%	0.453	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.5	-175.3	-173.1	58.5	41.7	0	0	111.2	N198 G223 P244 Q245	N198-Q221 PolarHBondContact OD1-NE2 3.33Å; N198-Q221 VanDerWaalsContact OD1-NE2 3.14Å; Q221-G223 PolarHBondContact O-N 2.94Å; Q221-P244 CarbonylContact O-C 3.57Å; Q221-P244 VanDerWaalsContact O-CA 3.3Å; Q221-P244 WeakPolarHBondContact O-CA 3.33Å; Q221-P244 VanDerWaalsContact O-CB 3.29Å; Q221-P244 WeakPolarHBondContact O-CB 3.29Å; Q221-Q245 HydrophobicContact CB-CB 4Å; Q221-Q245 HydrophobicContact CB-CG 4.38Å; Q221-Q245 PolarHBondContact N-O 3.46Å; Q221-Q245 PolarHBondContact O-N 3.48Å
222	T	96.6	Very high	92.8	Very high	23 Å²	23	51 Å²	51	14%	0.141	24%	0.241	C	C	.	.			trans	-64.2	128.8	177	-74.1	0	0	0	0	111	P63 N198	P63-T222 HydrophobicContact CB-CG2 3.91Å; N198-T222 PolarHBondContact O-OG1 2.93Å; N198-T222 WeakPolarHBondContact OD1-CB 3.3Å; N198-T222 PolarHBondContact OD1-N 3.16Å
223	G	96.6	Very high	91.7	Very high	5 Å²	5	47.4 Å²	47.4	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-173.5	171.4	0	0	0	0	0	111.3	P63 I64 Q221 V242	P63-G223 WeakPolarHBondContact CA-O 3.42Å; I64-G223 PolarHBondContact N-O 3.47Å; I64-G223 PolarHBondContact O-N 3.21Å; Q221-G223 PolarHBondContact O-N 2.94Å; G223-V242 CarbonylContact C-O 3.49Å; G223-V242 VanDerWaalsContact CA-O 3.26Å; G223-V242 WeakPolarHBondContact CA-O 3.2Å
224	Y	95.1	Very high	90.6	Very high	87 Å²	87	44.9 Å²	44.9	34%	0.341	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156	173.6	63.3	-87.9	0	0	0	111.9	L61 V62 V242	L61-Y224 HydrophobicContact CD2-CD2 3.92Å; L61-Y224 HydrophobicContact CD2-CE2 4.15Å; L61-Y224 HydrophobicContact CG-CD2 4.37Å; V62-Y224 CarbonylContact O-C 3.59Å; V62-Y224 VanDerWaalsContact O-CA 3.24Å; V62-Y224 WeakPolarHBondContact O-CA 3.48Å; Y224-V242 HydrophobicContact CD1-CB 4.16Å; Y224-V242 HydrophobicContact CE1-CB 3.87Å; Y224-V242 HydrophobicContact CE1-CG1 4.19Å; Y224-V242 HydrophobicContact CE1-CG2 3.92Å; Y224-V242 HydrophobicContact CE2-CB 4.41Å; Y224-V242 HydrophobicContact CE2-CG2 3.95Å; Y224-V242 PolarHBondContact N-O 2.79Å; Y224-V242 PolarHBondContact O-N 2.78Å
225	E	93.4	Very high	89.8	Confident	49 Å²	49	47.5 Å²	47.5	23%	0.229	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.7	170.4	54.2	176.5	-167.9	0	0	111.5	L61 V62 I64 V227 Q238 K240	L61-E225 CarbonylContact C-O 3.53Å; L61-E225 WeakPolarHBondContact CA-O 3.41Å; V62-E225 HydrophobicContact CB-CG 3.95Å; V62-E225 PolarHBondContact N-O 2.66Å; V62-E225 PolarHBondContact O-N 2.85Å; I64-E225 HydrophobicContact CD1-CB 4.02Å; I64-E225 HydrophobicContact CD1-CG 4.09Å; I64-E225 HydrophobicContact CG1-CG 4.2Å; E225-V227 HydrophobicContact CB-CG1 4.46Å; E225-V227 HydrophobicContact CG-CG1 3.96Å; E225-Q238 HydrophobicContact CB-CG 4.3Å; E225-Q238 PolarHBondContact OE2-NE2 3.16Å; E225-K240 CarbonylContact C-O 3.49Å; E225-K240 WeakPolarHBondContact CA-O 3.26Å
226	E	92	Very high	88.9	Confident	49 Å²	49	51.5 Å²	51.5	23%	0.229	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.3	168.7	-67.7	176.7	-148	0	0	108.4	I59 K60 L61 L239 K240	I59-E226 HydrophobicContact CG2-CB 4.08Å; I59-E226 HydrophobicContact CG2-CG 4.48Å; K60-E226 WeakPolarHBondContact O-CA 3.5Å; L61-E226 HydrophobicContact CG-CG 4.29Å; E226-L239 HydrophobicContact CB-CB 4.19Å; E226-L239 WeakPolarHBondContact O-CB 3.27Å; E226-L239 PolarHBondContact O-N 2.77Å; E226-K240 HydrophobicContact CB-CB 4.19Å; E226-K240 HydrophobicContact CG-CB 4.37Å; E226-K240 PolarHBondContact N-O 3.39Å
227	V	89.3	Confident	88.3	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.8	-178.6	-65	0	0	0	0	111.8	I59 K60 V62 E225 V229 V235	I59-V227 WeakPolarHBondContact CA-O 3.13Å; K60-V227 HydrophobicContact CB-CG2 4.11Å; K60-V227 PolarHBondContact N-O 2.68Å; K60-V227 WeakPolarHBondContact O-CG2 3.45Å; K60-V227 PolarHBondContact O-N 3.33Å; V62-V227 HydrophobicContact CG2-CG2 3.69Å; E225-V227 HydrophobicContact CB-CG1 4.46Å; E225-V227 HydrophobicContact CG-CG1 3.96Å; V227-V229 HydrophobicContact CG2-CG1 4.29Å; V227-V235 HydrophobicContact CB-CG1 3.99Å; V227-V235 HydrophobicContact CB-CG2 4.35Å; V227-V235 HydrophobicContact CG1-CG1 4.14Å; V227-V235 HydrophobicContact CG2-CG2 4.19Å
228	E	86.4	Confident	87.9	Confident	14 Å²	14	57 Å²	57	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.9	170.5	174.8	168.4	-135.3	0	0	109.1	R58 I236 R237 L239	R58-E228 WeakPolarHBondContact CD-OE1 3.43Å; R58-E228 HydrophobicContact CG-CG 3.74Å; R58-E228 IonicContact CZ-OE1 3.8Å; R58-E228 IonicContact NE-OE1 3.53Å; R58-E228 PolarHBondContact NE-OE1 3.39Å; R58-E228 IonicContact NH1-OE1 2.77Å; R58-E228 PolarHBondContact NH1-OE1 2.84Å; R58-E228 VanDerWaalsContact NH1-OE1 3.11Å; R58-E228 CarbonylContact O-C 3.58Å; R58-E228 VanDerWaalsContact O-CA 3.29Å; R58-E228 WeakPolarHBondContact O-CA 3.44Å; E228-I236 HydrophobicContact CG-CB 4.34Å; E228-I236 HydrophobicContact CG-CD1 4.06Å; E228-I236 PolarHBondContact O-N 3.2Å; E228-R237 HydrophobicContact CB-CG 4.07Å; E228-R237 PolarHBondContact N-O 3.19Å; E228-R237 IonicContact OE2-CZ 2.81Å; E228-R237 VanDerWaalsContact OE2-CZ 3.29Å; E228-R237 IonicContact OE2-NE 3.22Å; E228-R237 PolarHBondContact OE2-NE 2.92Å; E228-R237 IonicContact OE2-NH2 2.73Å; E228-R237 PolarHBondContact OE2-NH2 3.46Å; E228-L239 HydrophobicContact CB-CD1 4.34Å; E228-L239 HydrophobicContact CB-CG 4.41Å
229	V	83.9	Confident	87.4	Confident	14 Å²	14	60.9 Å²	60.9	9%	0.085	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.1	178.4	-62.7	0	0	0	0	112	R58 K60 V227 R234 V235	R58-V229 WeakPolarHBondContact O-CG2 3.3Å; R58-V229 PolarHBondContact O-N 2.96Å; K60-V229 HydrophobicContact CD-CG1 4.26Å; K60-V229 HydrophobicContact CD-CG2 4.18Å; K60-V229 HydrophobicContact CG-CG1 4.49Å; K60-V229 HydrophobicContact CG-CG2 4.16Å; V227-V229 HydrophobicContact CG2-CG1 4.29Å; V229-R234 CarbonylContact C-O 3.33Å; V229-R234 VanDerWaalsContact CA-O 3.27Å; V229-R234 WeakPolarHBondContact CA-O 3.46Å; V229-V235 HydrophobicContact CG1-CG2 4.29Å
230	N	82.1	Confident	87.1	Confident	51 Å²	51	65.8 Å²	65.8	27%	0.273	32%	0.318	S	S	.	.			trans	-79.8	178.7	173.4	72.4	11.3	0	0	0	112.4	R232 G233 R234 I236	N230-R232 PolarHBondContact O-N 3.01Å; N230-R232 VanDerWaalsContact O-N 3.1Å; N230-R232 WeakPolarHBondContact OD1-CA 3.36Å; N230-R232 WeakPolarHBondContact OD1-CB 3.3Å; N230-R232 PolarHBondContact OD1-N 2.94Å; N230-G233 WeakPolarHBondContact O-CA 3.49Å; N230-G233 PolarHBondContact O-N 3.18Å; N230-G233 PolarHBondContact OD1-N 2.96Å; N230-G233 VanDerWaalsContact OD1-N 3.13Å; N230-R234 PolarHBondContact N-O 3.42Å; N230-R234 PolarHBondContact OD1-N 3.34Å; N230-I236 HydrophobicContact CB-CD1 3.74Å; N230-I236 HydrophobicContact CB-CG1 4.04Å
231	N	78.1	Confident	87	Confident	159 Å²	159	69.5 Å²	69.5	85%	0.85	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.9	177	63.6	-11	0	0	0	115
232	R	76.8	Confident	87	Confident	126 Å²	126	67.4 Å²	67.4	48%	0.475	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.9	172.9	-61.3	-173.2	-179.9	-159.3	0.9	112.7	D96 N230 R234	D96-R232 IonicContact OD1-CZ 2.73Å; D96-R232 IonicContact OD1-NH1 3.77Å; D96-R232 PolarHBondContact OD1-NH1 2.73Å; D96-R232 IonicContact OD2-NH1 3.97Å; N230-R232 PolarHBondContact O-N 3.01Å; N230-R232 VanDerWaalsContact O-N 3.1Å; N230-R232 WeakPolarHBondContact OD1-CA 3.36Å; N230-R232 WeakPolarHBondContact OD1-CB 3.3Å; N230-R232 PolarHBondContact OD1-N 2.94Å; R232-R234 VanDerWaalsContact C-N 3.31Å; R232-R234 HydrophobicContact CB-CG 4.28Å; R232-R234 PolarHBondContact O-N 2.66Å
233	G	76.5	Confident	86.9	Confident	18 Å²	18	70.2 Å²	70.2	19%	0.186	34%	0.344	C	S	.	.	S	Bend	trans	71.1	20.4	-176.6	0	0	0	0	0	114.3	K94 N230	K94-G233 WeakPolarHBondContact CE-O 3.28Å; K94-G233 PolarHBondContact NZ-O 2.9Å; N230-G233 WeakPolarHBondContact O-CA 3.49Å; N230-G233 PolarHBondContact O-N 3.18Å; N230-G233 PolarHBondContact OD1-N 2.96Å; N230-G233 VanDerWaalsContact OD1-N 3.13Å
234	R	75.5	Confident	86.8	Confident	59 Å²	59	71.9 Å²	71.9	22%	0.223	35%	0.353	C	S	.	.			trans	-84.8	137.7	173.7	-56.1	178.3	179.9	158.8	-3.9	108.9	K94 D96 V229 N230 R232 I236	K94-R234 PolarHBondContact O-NH2 3.26Å; D96-R234 IonicContact OD2-NH2 3.66Å; V229-R234 CarbonylContact C-O 3.33Å; V229-R234 VanDerWaalsContact CA-O 3.27Å; V229-R234 WeakPolarHBondContact CA-O 3.46Å; N230-R234 PolarHBondContact N-O 3.42Å; N230-R234 PolarHBondContact OD1-N 3.34Å; R232-R234 VanDerWaalsContact C-N 3.31Å; R232-R234 HydrophobicContact CB-CG 4.28Å; R232-R234 PolarHBondContact O-N 2.66Å; R234-I236 PolarHBondContact O-N 3.08Å
235	V	80.4	Confident	86.9	Confident	84 Å²	84	74.2 Å²	74.2	51%	0.509	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.2	176.9	177.1	0	0	0	0	109.4	V227 V229	V227-V235 HydrophobicContact CB-CG1 3.99Å; V227-V235 HydrophobicContact CB-CG2 4.35Å; V227-V235 HydrophobicContact CG1-CG1 4.14Å; V227-V235 HydrophobicContact CG2-CG2 4.19Å; V229-V235 HydrophobicContact CG1-CG2 4.29Å
236	I	81	Confident	87	Confident	95 Å²	95	74.7 Å²	74.7	49%	0.487	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-51.2	176.3	-63.3	165.3	0	0	0	109.8	E228 N230 R234	E228-I236 HydrophobicContact CG-CB 4.34Å; E228-I236 HydrophobicContact CG-CD1 4.06Å; E228-I236 PolarHBondContact O-N 3.2Å; N230-I236 HydrophobicContact CB-CD1 3.74Å; N230-I236 HydrophobicContact CB-CG1 4.04Å; R234-I236 PolarHBondContact O-N 3.08Å
237	R	83.9	Confident	87.2	Confident	149 Å²	149	72.6 Å²	72.6	56%	0.562	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.1	179.9	76.7	-178.2	102.7	-172.2	4.4	111.4	E228 L239	E228-R237 HydrophobicContact CB-CG 4.07Å; E228-R237 PolarHBondContact N-O 3.19Å; E228-R237 IonicContact OE2-CZ 2.81Å; E228-R237 VanDerWaalsContact OE2-CZ 3.29Å; E228-R237 IonicContact OE2-NE 3.22Å; E228-R237 PolarHBondContact OE2-NE 2.92Å; E228-R237 IonicContact OE2-NH2 2.73Å; E228-R237 PolarHBondContact OE2-NH2 3.46Å; R237-L239 HydrophobicContact CG-CD2 4.15Å
238	Q	88.7	Confident	87.6	Confident	94 Å²	94	75.2 Å²	75.2	44%	0.439	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.5	167	-163.3	-171.3	40.8	0	0	109	E225 E241	E225-Q238 HydrophobicContact CB-CG 4.3Å; E225-Q238 PolarHBondContact OE2-NE2 3.16Å; Q238-E241 PolarHBondContact NE2-OE2 3.4Å
239	L	88.7	Confident	88.1	Confident	82 Å²	82	76.7 Å²	76.7	43%	0.429	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-40.7	179.8	-65	172.9	0	0	0	111.6	I59 E226 E228 R237	I59-L239 HydrophobicContact CB-CD1 4.4Å; I59-L239 HydrophobicContact CD1-CD1 3.67Å; I59-L239 HydrophobicContact CG1-CD1 3.66Å; I59-L239 HydrophobicContact CG2-CD1 4Å; E226-L239 HydrophobicContact CB-CB 4.19Å; E226-L239 WeakPolarHBondContact O-CB 3.27Å; E226-L239 PolarHBondContact O-N 2.77Å; E228-L239 HydrophobicContact CB-CD1 4.34Å; E228-L239 HydrophobicContact CB-CG 4.41Å; R237-L239 HydrophobicContact CG-CD2 4.15Å
240	K	91.2	Very high	88.8	Confident	109 Å²	109	76 Å²	76	47%	0.474	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	145.5	-178.1	-173.6	179.6	175.3	-169	0	109.6	E225 E226	E225-K240 CarbonylContact C-O 3.49Å; E225-K240 WeakPolarHBondContact CA-O 3.26Å; E226-K240 HydrophobicContact CB-CB 4.19Å; E226-K240 HydrophobicContact CG-CB 4.37Å; E226-K240 PolarHBondContact N-O 3.39Å
241	E	94.3	Very high	89.6	Confident	94 Å²	94	76.4 Å²	76.4	44%	0.439	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.5	173.6	-169.3	-179.9	138.4	0	0	109.5	I64 Q238	I64-E241 HydrophobicContact CD1-CG 3.94Å; Q238-E241 PolarHBondContact NE2-OE2 3.4Å
242	V	95.8	Very high	90.6	Very high	52 Å²	52	68.8 Å²	68.8	32%	0.315	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	101.6	161.8	179.7	0	0	0	0	105.9	G223 Y224	G223-V242 CarbonylContact C-O 3.49Å; G223-V242 VanDerWaalsContact CA-O 3.26Å; G223-V242 WeakPolarHBondContact CA-O 3.2Å; Y224-V242 HydrophobicContact CD1-CB 4.16Å; Y224-V242 HydrophobicContact CE1-CB 3.87Å; Y224-V242 HydrophobicContact CE1-CG1 4.19Å; Y224-V242 HydrophobicContact CE1-CG2 3.92Å; Y224-V242 HydrophobicContact CE2-CB 4.41Å; Y224-V242 HydrophobicContact CE2-CG2 3.95Å; Y224-V242 PolarHBondContact N-O 2.79Å; Y224-V242 PolarHBondContact O-N 2.78Å
243	P	95.2	Very high	91.6	Very high	83 Å²	83	63.4 Å²	63.4	54%	0.539	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-64	148.9	-173.2	26.8	-34.9	0	0	0	110.6
244	P	95.6	Very high	92.7	Very high	39 Å²	39	62.5 Å²	62.5	25%	0.253	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.5	157	173.6	31.8	-36.8	0	0	0	110.9	I64 P66 Q221	I64-P244 HydrophobicContact CB-CG 4.45Å; I64-P244 HydrophobicContact CG2-CG 3.83Å; P66-P244 HydrophobicContact CB-CB 4.09Å; Q221-P244 CarbonylContact O-C 3.57Å; Q221-P244 VanDerWaalsContact O-CA 3.3Å; Q221-P244 WeakPolarHBondContact O-CA 3.33Å; Q221-P244 VanDerWaalsContact O-CB 3.29Å; Q221-P244 WeakPolarHBondContact O-CB 3.29Å
245	Q	95.9	Very high	93.8	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.7	168	-57.2	174.1	-3.8	0	0	108.2	P66 G220 Q221	P66-Q245 WeakPolarHBondContact CB-O 3.4Å; G220-Q245 WeakPolarHBondContact CA-O 3.48Å; Q221-Q245 HydrophobicContact CB-CB 4Å; Q221-Q245 HydrophobicContact CB-CG 4.38Å; Q221-Q245 PolarHBondContact N-O 3.46Å; Q221-Q245 PolarHBondContact O-N 3.48Å
246	A	95.2	Very high	94.6	Very high	59 Å²	59	57.9 Å²	57.9	49%	0.488	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	149.8	175.6	0	0	0	0	0	110.6	S67	S67-A246 CarbonylContact O-C 3.49Å; S67-A246 VanDerWaalsContact O-CA 3.27Å; S67-A246 WeakPolarHBondContact O-CA 3.37Å; S67-A246 WeakPolarHBondContact O-CB 3.49Å
247	G	96.8	Very high	95.3	Very high	6 Å²	6	58.3 Å²	58.3	6%	0.062	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-63	155.7	168.8	0	0	0	0	0	111.1	S67 G69 V217 L218 G220	S67-G247 PolarHBondContact O-N 3.14Å; G69-G247 WeakPolarHBondContact CA-O 3.33Å; V217-G247 CarbonylContact O-C 3.55Å; V217-G247 WeakPolarHBondContact O-CA 3.39Å; L218-G247 WeakPolarHBondContact O-CA 3.46Å; G220-G247 VanDerWaalsContact CA-CA 3.46Å
248	H	97.4	Very high	96	Very high	57 Å²	57	51.5 Å²	51.5	26%	0.264	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-70.1	135.7	179.5	-57.8	-52.5	0	0	0	110.7	V217 T487 A488	V217-H248 PolarHBondContact O-N 3.38Å; H248-T487 HydrophobicContact CB-CG2 3.39Å; H248-A488 WeakPolarHBondContact CB-O 3.38Å; H248-A488 PolarHBondContact ND1-O 3.21Å
249	D	97.8	Very high	96.4	Very high	44 Å²	44	47.1 Å²	47.1	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.9	167.5	-71.5	-3.9	0	0	0	109	I70 Y72 Y251 A488	I70-D249 PolarHBondContact N-OD1 3.05Å; I70-D249 CarbonylContact O-C 3.57Å; I70-D249 VanDerWaalsContact O-CA 3.29Å; I70-D249 WeakPolarHBondContact O-CA 3.48Å; Y72-D249 HydrophobicContact CD2-CB 4.38Å; Y72-D249 HydrophobicContact CE2-CB 3.89Å; Y72-D249 WeakPolarHBondContact CE2-OD2 3.33Å; D249-Y251 HydrophobicContact CB-CE2 4.46Å; D249-A488 HydrophobicContact CB-CB 4.16Å; D249-A488 PolarHBondContact O-N 3.28Å
250	I	98.2	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.1	178.3	66.3	178.5	0	0	0	110	I70 I71 Y72 I210 Y214 V217 L218 L252 L484 T487	I70-I250 PolarHBondContact O-N 3.38Å; I71-I250 HydrophobicContact CB-CD1 4.45Å; I71-I250 HydrophobicContact CB-CG1 4.11Å; I71-I250 HydrophobicContact CD1-CD1 4.26Å; I71-I250 HydrophobicContact CG1-CD1 3.83Å; I71-I250 HydrophobicContact CG1-CG1 3.83Å; I71-I250 HydrophobicContact CG2-CD1 4.1Å; I71-I250 HydrophobicContact CG2-CG1 3.93Å; Y72-I250 PolarHBondContact N-O 3.42Å; I210-I250 HydrophobicContact CG2-CD1 3.29Å; Y214-I250 HydrophobicContact CD2-CD1 4.41Å; V217-I250 HydrophobicContact CG2-CG2 4.23Å; L218-I250 HydrophobicContact CD1-CD1 4.08Å; L218-I250 HydrophobicContact CD2-CD1 3.92Å; L218-I250 HydrophobicContact CD2-CG1 4.04Å; L218-I250 HydrophobicContact CD2-CG2 4.27Å; L218-I250 HydrophobicContact CG-CD1 4.21Å; I250-L252 HydrophobicContact CD1-CD2 4.18Å; I250-L252 HydrophobicContact CG1-CD2 4.4Å; I250-L484 HydrophobicContact CB-CD1 3.89Å; I250-L484 HydrophobicContact CG2-CD1 4.22Å; I250-T487 HydrophobicContact CG2-CG2 4.33Å
251	Y	98.6	Very high	97.1	Very high	59 Å²	59	39.1 Å²	39.1	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.3	177.2	-69.6	-99.2	0	0	0	107.9	Y72 D249 M485 S486 A488	Y72-Y251 HydrophobicContact CD2-CD1 4.37Å; Y72-Y251 AromaticContact CD2-CE1 3.97Å; Y72-Y251 HydrophobicContact CD2-CE1 3.97Å; Y72-Y251 HydrophobicContact CD2-CE2 4.1Å; Y72-Y251 AromaticContact CD2-CZ 3.82Å; Y72-Y251 HydrophobicContact CG-CD1 4.29Å; Y72-Y251 AromaticContact CG-CE1 3.98Å; Y72-Y251 HydrophobicContact CG-CE1 3.98Å; D249-Y251 HydrophobicContact CB-CE2 4.46Å; Y251-M485 WeakPolarHBondContact O-CA 3.36Å; Y251-M485 VanDerWaalsContact O-CB 3.29Å; Y251-M485 WeakPolarHBondContact O-CB 3.49Å; Y251-M485 PolarHBondContact O-N 2.78Å; Y251-S486 PolarHBondContact N-O 3.29Å; Y251-S486 PolarHBondContact O-N 2.77Å; Y251-A488 HydrophobicContact CE2-CB 4.27Å
252	L	98.8	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	163.2	-178.8	-55.8	-174.6	0	0	0	111.6	I71 Y72 D73 R74 L79 I176 I210 I250 L254 L483	I71-L252 HydrophobicContact CG2-CD1 3.59Å; I71-L252 HydrophobicContact CG2-CG 3.87Å; Y72-L252 WeakPolarHBondContact O-CB 3.48Å; Y72-L252 WeakPolarHBondContact O-CG 3.12Å; Y72-L252 PolarHBondContact O-N 2.73Å; D73-L252 CarbonylContact C-O 3.56Å; R74-L252 VanDerWaalsContact CA-O 3.22Å; R74-L252 WeakPolarHBondContact CA-O 3.46Å; R74-L252 WeakPolarHBondContact CB-O 2.94Å; R74-L252 PolarHBondContact N-O 2.86Å; L79-L252 HydrophobicContact CD1-CD1 4.32Å; I176-L252 HydrophobicContact CD1-CD1 3.44Å; I176-L252 VanDerWaalsContact CD1-CD1 3.44Å; I210-L252 HydrophobicContact CD1-CD2 4.11Å; I210-L252 HydrophobicContact CG1-CD1 4.09Å; I210-L252 HydrophobicContact CG1-CD2 4.34Å; I210-L252 HydrophobicContact CG2-CD1 4.39Å; I210-L252 HydrophobicContact CG2-CD2 4.26Å; I250-L252 HydrophobicContact CD1-CD2 4.18Å; I250-L252 HydrophobicContact CG1-CD2 4.4Å; L252-L254 VanDerWaalsContact C-N 3.28Å; L252-L254 HydrophobicContact CB-CB 4.39Å; L252-L254 HydrophobicContact CD1-CD1 3.98Å; L252-L483 CarbonylContact C-O 3.56Å; L252-L483 WeakPolarHBondContact CA-O 3.37Å; L252-L483 WeakPolarHBondContact CB-O 3.19Å; L252-L483 HydrophobicContact CD2-CB 4.42Å
253	T	98.9	Very high	97.3	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.074	18%	0.181	C	C	.	.	S	Bend	trans	-81	-11.6	173	58	0	0	0	0	112.7	V283 H482 L483 M485	T253-V283 CarbonylContact C-O 3.59Å; T253-V283 VanDerWaalsContact C-O 3.23Å; T253-V283 WeakPolarHBondContact CB-O 3.42Å; T253-V283 PolarHBondContact OG1-N 3.06Å; T253-V283 PolarHBondContact OG1-O 3.44Å; T253-H482 PolarHBondContact OG1-O 3.2Å; T253-L483 PolarHBondContact N-O 3.47Å; T253-L483 WeakPolarHBondContact OG1-CA 3.34Å; T253-L483 PolarHBondContact OG1-O 3.41Å; T253-M485 HydrophobicContact CG2-CB 3.98Å
254	L	98.8	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.			trans	-58.4	141.6	179.4	-73.2	175.2	0	0	0	111	D73 R74 L172 V175 I176 L252 V283 L284 L483	D73-L254 WeakPolarHBondContact CB-O 3.28Å; R74-L254 WeakPolarHBondContact CB-O 3.44Å; R74-L254 WeakPolarHBondContact CG-O 3.24Å; R74-L254 PolarHBondContact N-O 3.27Å; L172-L254 HydrophobicContact CD2-CD1 4.2Å; V175-L254 HydrophobicContact CB-CD1 4.5Å; V175-L254 HydrophobicContact CG1-CD1 3.8Å; V175-L254 HydrophobicContact CG2-CD1 3.86Å; V175-L254 HydrophobicContact CG2-CD2 4.42Å; I176-L254 HydrophobicContact CD1-CD1 4.29Å; L252-L254 VanDerWaalsContact C-N 3.28Å; L252-L254 HydrophobicContact CB-CB 4.39Å; L252-L254 HydrophobicContact CD1-CD1 3.98Å; L254-V283 HydrophobicContact CD2-CG1 4.41Å; L254-V283 PolarHBondContact N-O 3.29Å; L254-L284 WeakPolarHBondContact CA-O 3.38Å; L254-L483 HydrophobicContact CD1-CD2 4.11Å; L254-L483 HydrophobicContact CD2-CD2 3.8Å; L254-L483 HydrophobicContact CG-CD2 3.75Å
255	D	98.5	Very high	97.3	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.214	16%	0.163	C	C	.	.			trans	-105.2	112.1	166.1	-176.6	-55.6	0	0	0	107.7	R74 K257 L258 Q259 L284	R74-D255 HydrophobicContact CG-CB 4.38Å; D255-K257 VanDerWaalsContact C-N 3.32Å; D255-K257 PolarHBondContact O-N 2.99Å; D255-K257 PolarHBondContact OD1-N 3.31Å; D255-K257 VanDerWaalsContact OD1-N 3.1Å; D255-L258 HydrophobicContact CB-CB 3.91Å; D255-L258 PolarHBondContact O-N 3.33Å; D255-L258 PolarHBondContact OD1-N 3.3Å; D255-Q259 WeakPolarHBondContact O-CB 3.49Å; D255-Q259 PolarHBondContact O-N 3.01Å; D255-L284 PolarHBondContact N-O 3.4Å
256	L	97.9	Very high	97.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-42.5	-175.1	170.9	65.2	0	0	0	112.3	D73 I77 L79 Y168 L172 Q259 Q260	D73-L256 HydrophobicContact CB-CB 4.49Å; D73-L256 WeakPolarHBondContact OD2-CB 3.4Å; D73-L256 PolarHBondContact OD2-N 3.22Å; D73-L256 VanDerWaalsContact OD2-N 3.16Å; I77-L256 HydrophobicContact CB-CD2 4.43Å; I77-L256 HydrophobicContact CD1-CD2 4.18Å; I77-L256 HydrophobicContact CG2-CD2 3.71Å; L79-L256 HydrophobicContact CD2-CB 4.25Å; L79-L256 HydrophobicContact CD2-CD1 4.04Å; L79-L256 HydrophobicContact CD2-CD2 4.23Å; L79-L256 HydrophobicContact CD2-CG 4.4Å; Y168-L256 HydrophobicContact CD1-CD1 4.02Å; Y168-L256 HydrophobicContact CD1-CD2 3.88Å; Y168-L256 HydrophobicContact CD2-CD1 3.83Å; Y168-L256 HydrophobicContact CD2-CD2 4.01Å; Y168-L256 HydrophobicContact CE1-CD1 4.46Å; Y168-L256 HydrophobicContact CE1-CD2 3.46Å; Y168-L256 VanDerWaalsContact CE1-CD2 3.46Å; Y168-L256 HydrophobicContact CE2-CD1 4.27Å; Y168-L256 HydrophobicContact CE2-CD2 3.59Å; Y168-L256 HydrophobicContact CG-CD1 3.69Å; Y168-L256 HydrophobicContact CG-CD2 4.13Å; L172-L256 HydrophobicContact CD1-CD1 3.99Å; L172-L256 HydrophobicContact CG-CD1 4.5Å; L256-Q259 WeakPolarHBondContact O-CB 3.39Å; L256-Q259 PolarHBondContact O-N 3.19Å; L256-Q260 HydrophobicContact CD1-CG 4.05Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 2.7Å
257	K	96.1	Very high	96.9	Very high	104 Å²	104	25.7 Å²	25.7	45%	0.452	14%	0.138	S	C	.	.	H	α-helix	trans	-67.1	-42.4	-175.2	-66.1	-179.1	180	179.2	0	110.2	D255 Q260 Y261	D255-K257 VanDerWaalsContact C-N 3.32Å; D255-K257 PolarHBondContact O-N 2.99Å; D255-K257 PolarHBondContact OD1-N 3.31Å; D255-K257 VanDerWaalsContact OD1-N 3.1Å; K257-Q260 PolarHBondContact O-N 3.31Å; K257-Y261 VanDerWaalsContact O-CB 3.3Å; K257-Y261 WeakPolarHBondContact O-CB 3.43Å; K257-Y261 PolarHBondContact O-N 3.5Å
258	L	97.6	Very high	96.6	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.2	173.1	177.7	62.5	0	0	0	112.1	D255 Y261 I262 V275 L284 A285 I611	D255-L258 HydrophobicContact CB-CB 3.91Å; D255-L258 PolarHBondContact O-N 3.33Å; D255-L258 PolarHBondContact OD1-N 3.3Å; L258-Y261 WeakPolarHBondContact O-CB 3.43Å; L258-Y261 PolarHBondContact O-N 3.3Å; L258-I262 HydrophobicContact CD1-CD1 3.78Å; L258-I262 HydrophobicContact CD1-CG1 4.2Å; L258-I262 HydrophobicContact CG-CD1 3.85Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.44Å; L258-V275 HydrophobicContact CD2-CB 4.34Å; L258-V275 HydrophobicContact CD2-CG1 4.06Å; L258-V275 HydrophobicContact CD2-CG2 4.48Å; L258-L284 HydrophobicContact CD2-CB 3.92Å; L258-A285 HydrophobicContact CD2-CB 4.02Å; L258-A285 HydrophobicContact CG-CB 4.02Å; L258-I611 HydrophobicContact CD1-CD1 3.82Å; L258-I611 HydrophobicContact CD1-CG1 3.65Å; L258-I611 HydrophobicContact CD2-CD1 4.02Å; L258-I611 HydrophobicContact CD2-CG1 4.22Å
259	Q	98.1	Very high	96.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-48.9	178.5	-177.7	89.4	-0.6	0	0	111.5	A171 L172 D255 L256 I262 E263 L286 V287	A171-Q259 WeakPolarHBondContact O-CG 3.34Å; A171-Q259 PolarHBondContact O-NE2 3.37Å; L172-Q259 HydrophobicContact CD2-CG 3.75Å; D255-Q259 WeakPolarHBondContact O-CB 3.49Å; D255-Q259 PolarHBondContact O-N 3.01Å; L256-Q259 WeakPolarHBondContact O-CB 3.39Å; L256-Q259 PolarHBondContact O-N 3.19Å; Q259-I262 PolarHBondContact O-N 3.4Å; Q259-E263 PolarHBondContact O-N 3.31Å; Q259-L286 PolarHBondContact NE2-O 3.02Å; Q259-V287 VanDerWaalsContact CD-CG2 3.44Å; Q259-V287 HydrophobicContact CG-CG2 4.08Å
260	Q	97	Very high	96.4	Very high	23 Å²	23	25.9 Å²	25.9	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-38.4	178.1	-69	179.6	-66.2	0	0	112.3	A171 L256 K257 I262 E263 T264 L620	A171-Q260 HydrophobicContact CB-CG 3.85Å; L256-Q260 HydrophobicContact CD1-CG 4.05Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 2.7Å; K257-Q260 PolarHBondContact O-N 3.31Å; Q260-I262 PolarHBondContact O-N 2.86Å; Q260-E263 PolarHBondContact O-N 2.91Å; Q260-T264 WeakPolarHBondContact O-CB 3.36Å; Q260-T264 PolarHBondContact O-N 2.91Å; Q260-T264 PolarHBondContact O-OG1 3.23Å; Q260-L620 HydrophobicContact CB-CD2 4.14Å
261	Y	96.9	Very high	96.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-48.7	174.2	178.4	-106.8	0	0	0	111.1	K257 L258 T264 L265 H610 N617 T618	K257-Y261 VanDerWaalsContact O-CB 3.3Å; K257-Y261 WeakPolarHBondContact O-CB 3.43Å; K257-Y261 PolarHBondContact O-N 3.5Å; L258-Y261 WeakPolarHBondContact O-CB 3.43Å; L258-Y261 PolarHBondContact O-N 3.3Å; Y261-T264 WeakPolarHBondContact O-CB 3.4Å; Y261-T264 PolarHBondContact O-N 3.3Å; Y261-L265 HydrophobicContact CD1-CD1 4.02Å; Y261-L265 HydrophobicContact CD1-CG 4.5Å; Y261-L265 HydrophobicContact CE1-CD1 3.39Å; Y261-L265 HydrophobicContact CE1-CG 4.09Å; Y261-L265 HydrophobicContact CE2-CG 4.43Å; Y261-L265 WeakPolarHBondContact O-CG 3.38Å; Y261-L265 PolarHBondContact O-N 3.14Å; Y261-H610 HydrophobicContact CD1-CB 3.89Å; Y261-H610 AromaticContact CD1-CD2 3.71Å; Y261-H610 AromaticContact CD1-CG 3.61Å; Y261-H610 AromaticContact CD2-ND1 3.93Å; Y261-H610 HydrophobicContact CE1-CB 3.42Å; Y261-H610 VanDerWaalsContact CE1-CB 3.42Å; Y261-H610 AromaticContact CE1-CG 3.65Å; Y261-H610 AromaticContact CG-CE1 3.97Å; Y261-H610 AromaticContact CG-CG 3.97Å; Y261-H610 AromaticContact CG-ND1 3.95Å; Y261-N617 WeakPolarHBondContact CE2-OD1 3.22Å; Y261-N617 PolarHBondContact OH-ND2 3.41Å; Y261-N617 PolarHBondContact OH-OD1 3.09Å; Y261-T618 HydrophobicContact CD2-CG2 4.43Å; Y261-T618 WeakPolarHBondContact CD2-OG1 3.34Å; Y261-T618 HydrophobicContact CE2-CG2 3.86Å; Y261-T618 WeakPolarHBondContact CE2-OG1 3.05Å
262	I	97.8	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-43.3	178.8	-68.2	165.9	0	0	0	111.5	L258 Q259 Q260 T264 L265 L266 V273 V275 A285 V287 I607	L258-I262 HydrophobicContact CD1-CD1 3.78Å; L258-I262 HydrophobicContact CD1-CG1 4.2Å; L258-I262 HydrophobicContact CG-CD1 3.85Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.44Å; Q259-I262 PolarHBondContact O-N 3.4Å; Q260-I262 PolarHBondContact O-N 2.86Å; I262-T264 PolarHBondContact O-N 3.08Å; I262-L265 PolarHBondContact O-N 2.79Å; I262-L266 HydrophobicContact CG2-CD1 3.78Å; I262-L266 HydrophobicContact CG2-CG 4.19Å; I262-L266 WeakPolarHBondContact O-CB 3.42Å; I262-L266 VanDerWaalsContact O-CG 3.25Å; I262-L266 WeakPolarHBondContact O-CG 3.32Å; I262-L266 PolarHBondContact O-N 2.75Å; I262-V273 HydrophobicContact CD1-CG1 4.06Å; I262-V273 HydrophobicContact CG2-CB 3.79Å; I262-V273 HydrophobicContact CG2-CG1 3.99Å; I262-V273 HydrophobicContact CG2-CG2 3.83Å; I262-V275 HydrophobicContact CD1-CG2 3.64Å; I262-A285 HydrophobicContact CD1-CB 3.65Å; I262-V287 HydrophobicContact CB-CG2 3.97Å; I262-V287 HydrophobicContact CG2-CB 3.85Å; I262-V287 HydrophobicContact CG2-CG1 4.19Å; I262-V287 HydrophobicContact CG2-CG2 3.68Å; I262-I607 HydrophobicContact CD1-CD1 4.48Å; I262-I607 HydrophobicContact CD1-CG2 4.28Å; I262-I607 HydrophobicContact CG1-CD1 4.04Å; I262-I607 HydrophobicContact CG1-CG1 4Å; I262-I607 HydrophobicContact CG1-CG2 4.45Å
263	E	96.8	Very high	96.4	Very high	35 Å²	35	23 Å²	23	16%	0.164	15%	0.146	C	C	.	.	H	α-helix	trans	-54.4	-45.6	175.1	-173.4	-162.5	-150.9	0	0	111	S170 A171 Q259 Q260 L266 A267 V287	S170-E263 VanDerWaalsContact CB-OE1 3.24Å; S170-E263 WeakPolarHBondContact CB-OE1 3.48Å; S170-E263 PolarHBondContact OG-OE1 2.87Å; A171-E263 VanDerWaalsContact CA-CD 3.49Å; A171-E263 WeakPolarHBondContact CA-OE1 3.46Å; A171-E263 WeakPolarHBondContact CA-OE2 3.33Å; A171-E263 WeakPolarHBondContact CB-OE2 3.19Å; A171-E263 PolarHBondContact N-OE1 3.34Å; Q259-E263 PolarHBondContact O-N 3.31Å; Q260-E263 PolarHBondContact O-N 2.91Å; E263-L266 PolarHBondContact O-N 3.24Å; E263-A267 PolarHBondContact O-N 2.92Å; E263-V287 HydrophobicContact CB-CG1 4.35Å
264	T	95.5	Very high	96.4	Very high	50 Å²	50	22.5 Å²	22.5	31%	0.307	14%	0.142	S	C	.	.	H	α-helix	trans	-62.5	-44.5	178.8	-56.5	0	0	0	0	111.7	Q260 Y261 I262 L266 A267 T618	Q260-T264 WeakPolarHBondContact O-CB 3.36Å; Q260-T264 PolarHBondContact O-N 2.91Å; Q260-T264 PolarHBondContact O-OG1 3.23Å; Y261-T264 WeakPolarHBondContact O-CB 3.4Å; Y261-T264 PolarHBondContact O-N 3.3Å; I262-T264 PolarHBondContact O-N 3.08Å; T264-L266 PolarHBondContact O-N 3.39Å; T264-A267 WeakPolarHBondContact O-CB 3.24Å; T264-A267 PolarHBondContact O-N 3.06Å; T264-T618 HydrophobicContact CG2-CG2 4.4Å
265	L	95.5	Very high	96.5	Very high	22 Å²	22	22.5 Å²	22.5	12%	0.115	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-30.9	175.8	-74.1	-174.7	0	0	0	113.5	Y261 I262 L603 Q606 I607 T618	Y261-L265 HydrophobicContact CD1-CD1 4.02Å; Y261-L265 HydrophobicContact CD1-CG 4.5Å; Y261-L265 HydrophobicContact CE1-CD1 3.39Å; Y261-L265 HydrophobicContact CE1-CG 4.09Å; Y261-L265 HydrophobicContact CE2-CG 4.43Å; Y261-L265 WeakPolarHBondContact O-CG 3.38Å; Y261-L265 PolarHBondContact O-N 3.14Å; I262-L265 PolarHBondContact O-N 2.79Å; L265-L603 HydrophobicContact CB-CD2 4.41Å; L265-Q606 HydrophobicContact CD1-CB 3.99Å; L265-I607 HydrophobicContact CD1-CG1 3.78Å; L265-T618 HydrophobicContact CD2-CG2 3.78Å
266	L	95.6	Very high	96.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.8	-177.1	-64.3	179.4	0	0	0	113.7	I262 E263 T264 G268 S269 A271 V273 V287 T289 M589 L591 L603	I262-L266 HydrophobicContact CG2-CD1 3.78Å; I262-L266 HydrophobicContact CG2-CG 4.19Å; I262-L266 WeakPolarHBondContact O-CB 3.42Å; I262-L266 VanDerWaalsContact O-CG 3.25Å; I262-L266 WeakPolarHBondContact O-CG 3.32Å; I262-L266 PolarHBondContact O-N 2.75Å; E263-L266 PolarHBondContact O-N 3.24Å; T264-L266 PolarHBondContact O-N 3.39Å; L266-G268 PolarHBondContact O-N 3.43Å; L266-S269 WeakPolarHBondContact O-CB 3.26Å; L266-S269 PolarHBondContact O-N 3.12Å; L266-A271 HydrophobicContact CD1-CB 4.06Å; L266-A271 HydrophobicContact CD2-CB 3.78Å; L266-A271 HydrophobicContact CG-CB 4.34Å; L266-V273 HydrophobicContact CD1-CB 4.43Å; L266-V273 HydrophobicContact CD1-CG2 3.68Å; L266-V273 HydrophobicContact CD2-CG2 4.17Å; L266-V273 HydrophobicContact CG-CG2 4.35Å; L266-V287 HydrophobicContact CD1-CB 4.38Å; L266-V287 HydrophobicContact CD1-CG1 3.88Å; L266-T289 HydrophobicContact CB-CG2 3.73Å; L266-T289 HydrophobicContact CD1-CG2 4.14Å; L266-M589 HydrophobicContact CD2-CE 4.3Å; L266-L591 HydrophobicContact CD2-CD2 3.81Å; L266-L603 HydrophobicContact CD2-CD1 4.03Å
267	A	86.6	Confident	96.5	Very high	73 Å²	73	20.8 Å²	20.8	60%	0.603	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	131.4	-176	0	0	0	0	0	112.5	E263 T264 S269	E263-A267 PolarHBondContact O-N 2.92Å; T264-A267 WeakPolarHBondContact O-CB 3.24Å; T264-A267 PolarHBondContact O-N 3.06Å; A267-S269 PolarHBondContact O-N 2.98Å
268	G	89.9	Confident	96.6	Very high	78 Å²	78	15.9 Å²	15.9	80%	0.804	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-9.6	-179	0	0	0	0	0	115.9	L266 A596	L266-G268 PolarHBondContact O-N 3.43Å; G268-A596 WeakPolarHBondContact O-CB 3.17Å
269	S	94.6	Very high	96.7	Very high	7 Å²	7	22 Å²	22	5%	0.049	14%	0.135	C	C	.	.	S	Bend	trans	-93.6	147	178.2	-59.2	0	0	0	0	111.6	L266 A267 A271 T289 A596	L266-S269 WeakPolarHBondContact O-CB 3.26Å; L266-S269 PolarHBondContact O-N 3.12Å; A267-S269 PolarHBondContact O-N 2.98Å; S269-A271 PolarHBondContact O-N 2.85Å; S269-T289 CarbonylContact O-C 3.26Å; S269-T289 VanDerWaalsContact O-CB 3.3Å; S269-T289 WeakPolarHBondContact O-CB 3.41Å; S269-T289 PolarHBondContact O-OG1 2.94Å; S269-A596 PolarHBondContact OG-N 2.85Å
270	R	97.5	Very high	96.7	Very high	25 Å²	25	25.4 Å²	25.4	9%	0.094	16%	0.156	C	C	.	.			trans	-82.2	106.6	160.4	-74.2	171	-68.9	126	-1.5	108.2	T289 N314 E566 E592 N593	R270-T289 CarbonylContact C-O 3.55Å; R270-T289 VanDerWaalsContact CA-O 3.29Å; R270-T289 WeakPolarHBondContact CA-O 3.43Å; R270-N314 HydrophobicContact CG-CB 4.04Å; R270-E566 IonicContact CZ-OE1 3.4Å; R270-E566 IonicContact NH2-OE1 2.79Å; R270-E566 PolarHBondContact NH2-OE1 3.39Å; R270-E566 IonicContact NH2-OE2 2.6Å; R270-E592 HydrophobicContact CB-CB 3.85Å; R270-E592 HydrophobicContact CB-CG 4.11Å; R270-E592 WeakPolarHBondContact CB-OE2 3.37Å; R270-E592 WeakPolarHBondContact CD-OE2 3.42Å; R270-E592 IonicContact CZ-OE2 3.45Å; R270-E592 IonicContact NE-OE2 2.73Å; R270-E592 IonicContact NH1-OE2 3.31Å; R270-E592 PolarHBondContact NH1-OE2 3.04Å; R270-E592 WeakPolarHBondContact O-CB 3.41Å; R270-E592 PolarHBondContact O-N 3.49Å; R270-N593 PolarHBondContact NH1-OD1 3.35Å; R270-N593 PolarHBondContact NH2-OD1 2.97Å
271	A	98.3	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.4	-170.4	0	0	0	0	0	112.7	L266 S269 S288 T289 I590 L591	L266-A271 HydrophobicContact CD1-CB 4.06Å; L266-A271 HydrophobicContact CD2-CB 3.78Å; L266-A271 HydrophobicContact CG-CB 4.34Å; S269-A271 PolarHBondContact O-N 2.85Å; A271-S288 WeakPolarHBondContact O-CA 3.29Å; A271-T289 WeakPolarHBondContact CB-OG1 3.37Å; A271-T289 PolarHBondContact N-O 3.04Å; A271-T289 PolarHBondContact N-OG1 2.82Å; A271-T289 PolarHBondContact O-N 3.27Å; A271-I590 VanDerWaalsContact CA-O 3.23Å; A271-I590 WeakPolarHBondContact CA-O 3.43Å; A271-I590 WeakPolarHBondContact CB-O 3.33Å; A271-L591 HydrophobicContact CB-CD2 3.55Å
272	A	98.7	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.4	166.5	0	0	0	0	0	110.4	V287 R320 A321 P462 M589 I590	A272-V287 CarbonylContact C-O 3.57Å; A272-V287 VanDerWaalsContact CA-O 3.27Å; A272-V287 WeakPolarHBondContact CA-O 3.34Å; A272-R320 HydrophobicContact CB-CB 3.73Å; A272-A321 HydrophobicContact CB-CB 4.14Å; A272-P462 HydrophobicContact CB-CB 4.32Å; A272-P462 HydrophobicContact CB-CG 3.88Å; A272-M589 CarbonylContact O-C 3.54Å; A272-M589 WeakPolarHBondContact O-CA 3.5Å; A272-M589 WeakPolarHBondContact O-CB 3.35Å; A272-I590 HydrophobicContact CB-CG2 3.95Å; A272-I590 PolarHBondContact N-O 2.86Å; A272-I590 PolarHBondContact O-N 3.38Å
273	V	98.9	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.6	174.1	177	0	0	0	0	108.4	I262 L266 V275 L286 V287 V587 M589 I607	I262-V273 HydrophobicContact CD1-CG1 4.06Å; I262-V273 HydrophobicContact CG2-CB 3.79Å; I262-V273 HydrophobicContact CG2-CG1 3.99Å; I262-V273 HydrophobicContact CG2-CG2 3.83Å; L266-V273 HydrophobicContact CD1-CB 4.43Å; L266-V273 HydrophobicContact CD1-CG2 3.68Å; L266-V273 HydrophobicContact CD2-CG2 4.17Å; L266-V273 HydrophobicContact CG-CG2 4.35Å; V273-V275 HydrophobicContact CG1-CG2 3.86Å; V273-L286 WeakPolarHBondContact O-CA 3.49Å; V273-V287 PolarHBondContact N-O 3.29Å; V273-V287 PolarHBondContact O-N 3.33Å; V273-V587 HydrophobicContact CG1-CG1 4.01Å; V273-M589 HydrophobicContact CB-CB 4.31Å; V273-M589 HydrophobicContact CG1-CB 4.45Å; V273-M589 HydrophobicContact CG2-CB 3.68Å; V273-M589 HydrophobicContact CG2-CE 3.87Å; V273-I607 HydrophobicContact CG1-CD1 4.17Å; V273-I607 HydrophobicContact CG2-CD1 4.38Å
274	V	98.9	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.5	169.4	-175.8	0	0	0	0	107.6	T276 A285 A321 P462 I463 V587 A588	V274-T276 HydrophobicContact CG1-CG2 4.04Å; V274-A285 WeakPolarHBondContact CA-O 3.45Å; V274-A321 HydrophobicContact CG2-CB 3.87Å; V274-P462 HydrophobicContact CG2-CB 4.19Å; V274-I463 HydrophobicContact CG1-CD1 3.64Å; V274-I463 HydrophobicContact CG2-CD1 4.3Å; V274-V587 CarbonylContact O-C 3.54Å; V274-V587 VanDerWaalsContact O-CA 3.31Å; V274-V587 WeakPolarHBondContact O-CA 3.43Å; V274-A588 PolarHBondContact N-O 2.74Å; V274-A588 PolarHBondContact O-N 3.28Å
275	V	98.9	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.1	172.7	-173.6	0	0	0	0	108.3	L258 I262 V273 V283 L284 A285 V585 A586 V587 I607 I611	L258-V275 HydrophobicContact CD2-CB 4.34Å; L258-V275 HydrophobicContact CD2-CG1 4.06Å; L258-V275 HydrophobicContact CD2-CG2 4.48Å; I262-V275 HydrophobicContact CD1-CG2 3.64Å; V273-V275 HydrophobicContact CG1-CG2 3.86Å; V275-V283 CarbonylContact O-C 3.41Å; V275-V283 WeakPolarHBondContact O-CA 3.17Å; V275-L284 HydrophobicContact CB-CB 4.3Å; V275-L284 HydrophobicContact CG1-CB 4.03Å; V275-L284 HydrophobicContact CG1-CD1 4.27Å; V275-L284 HydrophobicContact CG1-CG 4.45Å; V275-L284 PolarHBondContact O-N 3.14Å; V275-A285 HydrophobicContact CB-CB 4.04Å; V275-A285 HydrophobicContact CG2-CB 4.02Å; V275-A285 PolarHBondContact N-O 3.13Å; V275-A285 PolarHBondContact O-N 3.08Å; V275-V585 HydrophobicContact CG1-CG2 3.24Å; V275-A586 CarbonylContact C-O 3.49Å; V275-A586 WeakPolarHBondContact CA-O 3.27Å; V275-V587 HydrophobicContact CG1-CG2 4.2Å; V275-V587 HydrophobicContact CG2-CG1 4.15Å; V275-V587 HydrophobicContact CG2-CG2 4.17Å; V275-I607 HydrophobicContact CG2-CG2 4.33Å; V275-I611 HydrophobicContact CG1-CD1 3.97Å
276	T	98.9	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.6	-178.8	49	0	0	0	0	111.1	V274 P278 G282 V283 S466 M470 V585 A586	V274-T276 HydrophobicContact CG1-CG2 4.04Å; T276-P278 WeakPolarHBondContact O-CD 3.49Å; T276-G282 CarbonylContact C-O 3.6Å; T276-G282 VanDerWaalsContact CA-O 3.25Å; T276-G282 WeakPolarHBondContact CA-O 3.32Å; T276-V283 HydrophobicContact CG2-CG2 3.98Å; T276-S466 WeakPolarHBondContact CG2-OG 3.35Å; T276-S466 PolarHBondContact OG1-OG 3Å; T276-M470 HydrophobicContact CG2-CE 4.11Å; T276-M470 HydrophobicContact CG2-SD 4.05Å; T276-V585 CarbonylContact O-C 3.53Å; T276-V585 WeakPolarHBondContact O-CA 3.23Å; T276-A586 PolarHBondContact N-O 2.88Å; T276-A586 PolarHBondContact O-N 2.93Å; T276-A586 PolarHBondContact OG1-O 2.84Å
277	D	98.8	Very high	97.5	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.053	13%	0.128	C	C	.	.			trans	-83.6	109.7	162.7	-174.1	-25.4	0	0	0	109	R279 T280 G281 G282 L284	D277-R279 PolarHBondContact O-N 2.75Å; D277-R279 VanDerWaalsContact O-N 3.11Å; D277-R279 WeakPolarHBondContact OD1-CB 3.49Å; D277-R279 VanDerWaalsContact OD1-CG 3.3Å; D277-R279 WeakPolarHBondContact OD1-CG 3.34Å; D277-R279 IonicContact OD1-CZ 3Å; D277-R279 PolarHBondContact OD1-N 2.83Å; D277-R279 IonicContact OD1-NE 3.33Å; D277-R279 PolarHBondContact OD1-NE 2.81Å; D277-R279 IonicContact OD1-NH2 2.79Å; D277-R279 IonicContact OD2-CZ 3.7Å; D277-R279 VanDerWaalsContact OD2-CZ 3.31Å; D277-R279 IonicContact OD2-NE 3.19Å; D277-R279 PolarHBondContact OD2-NE 3.44Å; D277-R279 VanDerWaalsContact OD2-NE 3.16Å; D277-R279 IonicContact OD2-NH2 3.74Å; D277-R279 PolarHBondContact OD2-NH2 3.08Å; D277-T280 PolarHBondContact O-N 3.46Å; D277-G281 WeakPolarHBondContact O-CA 3.31Å; D277-G281 PolarHBondContact O-N 2.62Å; D277-G282 PolarHBondContact N-O 2.9Å; D277-L284 HydrophobicContact CB-CD1 4.37Å; D277-L284 HydrophobicContact CB-CD2 4.23Å; D277-L284 HydrophobicContact CB-CG 4.43Å
278	P	98.7	Very high	98	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.2	-177	29	-35.1	0	0	0	112.7	T276 M470 I473 N474 K479 P583 A586	T276-P278 WeakPolarHBondContact O-CD 3.49Å; P278-M470 HydrophobicContact CB-CG 4.15Å; P278-I473 HydrophobicContact CB-CB 4.22Å; P278-I473 HydrophobicContact CB-CD1 4.05Å; P278-I473 HydrophobicContact CB-CG2 3.67Å; P278-I473 HydrophobicContact CG-CD1 4.33Å; P278-I473 HydrophobicContact CG-CG2 3.96Å; P278-N474 PolarHBondContact O-ND2 2.96Å; P278-N474 PolarHBondContact O-OD1 3.05Å; P278-K479 WeakPolarHBondContact O-CD 3.25Å; P278-K479 VanDerWaalsContact O-CE 3.31Å; P278-K479 WeakPolarHBondContact O-CE 3.41Å; P278-P583 HydrophobicContact CG-CB 3.98Å; P278-A586 HydrophobicContact CB-CB 4.44Å; P278-A586 HydrophobicContact CG-CB 4.45Å
279	R	98.4	Very high	98.5	Very high	135 Å²	135	13.4 Å²	13.4	51%	0.509	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.1	179.8	-55.4	170.1	-67.5	-174.7	-2.2	111.4	D277 K479	D277-R279 PolarHBondContact O-N 2.75Å; D277-R279 VanDerWaalsContact O-N 3.11Å; D277-R279 WeakPolarHBondContact OD1-CB 3.49Å; D277-R279 VanDerWaalsContact OD1-CG 3.3Å; D277-R279 WeakPolarHBondContact OD1-CG 3.34Å; D277-R279 IonicContact OD1-CZ 3Å; D277-R279 PolarHBondContact OD1-N 2.83Å; D277-R279 IonicContact OD1-NE 3.33Å; D277-R279 PolarHBondContact OD1-NE 2.81Å; D277-R279 IonicContact OD1-NH2 2.79Å; D277-R279 IonicContact OD2-CZ 3.7Å; D277-R279 VanDerWaalsContact OD2-CZ 3.31Å; D277-R279 IonicContact OD2-NE 3.19Å; D277-R279 PolarHBondContact OD2-NE 3.44Å; D277-R279 VanDerWaalsContact OD2-NE 3.16Å; D277-R279 IonicContact OD2-NH2 3.74Å; D277-R279 PolarHBondContact OD2-NH2 3.08Å; R279-K479 WeakPolarHBondContact O-CE 3.36Å; R279-K479 PolarHBondContact O-NZ 2.71Å
280	T	98.3	Very high	98.6	Very high	73 Å²	73	14.7 Å²	14.7	45%	0.448	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-28.9	-175.7	62	0	0	0	0	113.1	D277 G282 H482	D277-T280 PolarHBondContact O-N 3.46Å; T280-G282 VanDerWaalsContact C-N 3.29Å; T280-G282 PolarHBondContact OG1-N 2.9Å; T280-H482 PolarHBondContact O-CE1 3.07Å
281	G	98.5	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.			trans	86.6	-1.5	-164.9	0	0	0	0	0	113.1	D277 V283 P481 H482	D277-G281 WeakPolarHBondContact O-CA 3.31Å; D277-G281 PolarHBondContact O-N 2.62Å; G281-V283 PolarHBondContact O-N 3.31Å; G281-P481 VanDerWaalsContact O-CA 3.25Å; G281-P481 WeakPolarHBondContact O-CA 3.47Å; G281-H482 PolarHBondContact O-N 2.73Å; G281-H482 VanDerWaalsContact O-N 3.13Å
282	G	98.8	Very high	98.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-67	132.8	-178.4	0	0	0	0	0	112.1	T276 D277 T280 L284	T276-G282 CarbonylContact C-O 3.6Å; T276-G282 VanDerWaalsContact CA-O 3.25Å; T276-G282 WeakPolarHBondContact CA-O 3.32Å; D277-G282 PolarHBondContact N-O 2.9Å; T280-G282 VanDerWaalsContact C-N 3.29Å; T280-G282 PolarHBondContact OG1-N 2.9Å; G282-L284 PolarHBondContact O-N 2.9Å
283	V	98.9	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.6	177.9	177.9	0	0	0	0	109.3	T253 L254 V275 T276 G281 L286 I419 P481 H482 L483	T253-V283 CarbonylContact C-O 3.59Å; T253-V283 VanDerWaalsContact C-O 3.23Å; T253-V283 WeakPolarHBondContact CB-O 3.42Å; T253-V283 PolarHBondContact OG1-N 3.06Å; T253-V283 PolarHBondContact OG1-O 3.44Å; L254-V283 HydrophobicContact CD2-CG1 4.41Å; L254-V283 PolarHBondContact N-O 3.29Å; V275-V283 CarbonylContact O-C 3.41Å; V275-V283 WeakPolarHBondContact O-CA 3.17Å; T276-V283 HydrophobicContact CG2-CG2 3.98Å; G281-V283 PolarHBondContact O-N 3.31Å; V283-L286 HydrophobicContact CG1-CB 3.82Å; V283-L286 HydrophobicContact CG1-CD1 4.32Å; V283-I419 HydrophobicContact CG2-CD1 4.44Å; V283-P481 HydrophobicContact CG2-CB 4.05Å; V283-H482 WeakPolarHBondContact CG2-O 3.23Å; V283-H482 PolarHBondContact N-O 2.9Å; V283-L483 HydrophobicContact CB-CD2 3.82Å; V283-L483 HydrophobicContact CB-CG 4.28Å; V283-L483 HydrophobicContact CG1-CD2 3.82Å
284	L	98.8	Very high	98.5	Very high	16 Å²	16	18.3 Å²	18.3	8%	0.084	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-32.1	-179.3	-50.5	-171.3	0	0	0	112	L254 D255 L258 V275 D277 G282 V585	L254-L284 WeakPolarHBondContact CA-O 3.38Å; D255-L284 PolarHBondContact N-O 3.4Å; L258-L284 HydrophobicContact CD2-CB 3.92Å; V275-L284 HydrophobicContact CB-CB 4.3Å; V275-L284 HydrophobicContact CG1-CB 4.03Å; V275-L284 HydrophobicContact CG1-CD1 4.27Å; V275-L284 HydrophobicContact CG1-CG 4.45Å; V275-L284 PolarHBondContact O-N 3.14Å; D277-L284 HydrophobicContact CB-CD1 4.37Å; D277-L284 HydrophobicContact CB-CD2 4.23Å; D277-L284 HydrophobicContact CB-CG 4.43Å; G282-L284 PolarHBondContact O-N 2.9Å; L284-V585 HydrophobicContact CD1-CG2 4.48Å
285	A	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	140.2	172	0	0	0	0	0	110.5	L258 I262 V274 V275	L258-A285 HydrophobicContact CD2-CB 4.02Å; L258-A285 HydrophobicContact CG-CB 4.02Å; I262-A285 HydrophobicContact CD1-CB 3.65Å; V274-A285 WeakPolarHBondContact CA-O 3.45Å; V275-A285 HydrophobicContact CB-CB 4.04Å; V275-A285 HydrophobicContact CG2-CB 4.02Å; V275-A285 PolarHBondContact N-O 3.13Å; V275-A285 PolarHBondContact O-N 3.08Å
286	L	98.9	Very high	98.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	96.1	174.6	-169.6	154.8	0	0	0	108.2	V175 Q259 V273 V283 A321 T322 I419 L421	V175-L286 HydrophobicContact CB-CB 4.37Å; V175-L286 HydrophobicContact CB-CD2 4.19Å; V175-L286 HydrophobicContact CG2-CB 4.07Å; V175-L286 HydrophobicContact CG2-CD2 4.43Å; Q259-L286 PolarHBondContact NE2-O 3.02Å; V273-L286 WeakPolarHBondContact O-CA 3.49Å; V283-L286 HydrophobicContact CG1-CB 3.82Å; V283-L286 HydrophobicContact CG1-CD1 4.32Å; L286-A321 HydrophobicContact CD1-CB 4.48Å; L286-A321 HydrophobicContact CD2-CB 3.63Å; L286-A321 HydrophobicContact CG-CB 3.82Å; L286-T322 HydrophobicContact CD1-CG2 4.24Å; L286-I419 HydrophobicContact CD1-CD1 3.67Å; L286-L421 HydrophobicContact CD1-CD1 4.08Å
287	V	98.7	Very high	98.2	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.03	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	-172.9	-176.5	0	0	0	0	109.6	Q259 I262 E263 L266 A272 V273 T289	Q259-V287 VanDerWaalsContact CD-CG2 3.44Å; Q259-V287 HydrophobicContact CG-CG2 4.08Å; I262-V287 HydrophobicContact CB-CG2 3.97Å; I262-V287 HydrophobicContact CG2-CB 3.85Å; I262-V287 HydrophobicContact CG2-CG1 4.19Å; I262-V287 HydrophobicContact CG2-CG2 3.68Å; E263-V287 HydrophobicContact CB-CG1 4.35Å; L266-V287 HydrophobicContact CD1-CB 4.38Å; L266-V287 HydrophobicContact CD1-CG1 3.88Å; A272-V287 CarbonylContact C-O 3.57Å; A272-V287 VanDerWaalsContact CA-O 3.27Å; A272-V287 WeakPolarHBondContact CA-O 3.34Å; V273-V287 PolarHBondContact N-O 3.29Å; V273-V287 PolarHBondContact O-N 3.33Å; V287-T289 HydrophobicContact CG1-CG2 4.09Å
288	S	98.6	Very high	98	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.2	171.3	169.5	0	0	0	0	108.9	H174 A271 V318 R320	H174-S288 PolarHBondContact CE1-O 2.93Å; H174-S288 PolarHBondContact ND1-O 3.29Å; A271-S288 WeakPolarHBondContact O-CA 3.29Å; S288-V318 PolarHBondContact OG-O 3.38Å; S288-V318 VanDerWaalsContact OG-O 3.05Å; S288-R320 WeakPolarHBondContact OG-CB 3.26Å; S288-R320 PolarHBondContact OG-N 2.81Å
289	T	98.3	Very high	97.4	Very high	6 Å²	6	28 Å²	28	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.2	179	58	0	0	0	0	111.7	L266 S269 R270 A271 V287 R320	L266-T289 HydrophobicContact CB-CG2 3.73Å; L266-T289 HydrophobicContact CD1-CG2 4.14Å; S269-T289 CarbonylContact O-C 3.26Å; S269-T289 VanDerWaalsContact O-CB 3.3Å; S269-T289 WeakPolarHBondContact O-CB 3.41Å; S269-T289 PolarHBondContact O-OG1 2.94Å; R270-T289 CarbonylContact C-O 3.55Å; R270-T289 VanDerWaalsContact CA-O 3.29Å; R270-T289 WeakPolarHBondContact CA-O 3.43Å; A271-T289 WeakPolarHBondContact CB-OG1 3.37Å; A271-T289 PolarHBondContact N-O 3.04Å; A271-T289 PolarHBondContact N-OG1 2.82Å; A271-T289 PolarHBondContact O-N 3.27Å; V287-T289 HydrophobicContact CG1-CG2 4.09Å; T289-R320 WeakPolarHBondContact O-CD 3.38Å; T289-R320 PolarHBondContact O-NH1 2.64Å
290	P	97.8	Very high	96.9	Very high	33 Å²	33	24 Å²	24	21%	0.214	15%	0.147	C	C	.	.	S	Bend	cis	-64.3	153.4	-9.6	28.5	-34.7	0	0	0	112.3	N314 P316	P290-N314 HydrophobicContact CG-CB 3.72Å; P290-P316 HydrophobicContact CB-CB 4.3Å; P290-P316 HydrophobicContact CG-CB 4.03Å; P290-P316 WeakPolarHBondContact O-CA 3.42Å
291	S	97.7	Very high	96.6	Very high	27 Å²	27	22.4 Å²	22.4	19%	0.189	14%	0.135	C	C	.	.			trans	-110.7	-173.9	176.7	-169.2	0	0	0	0	110.3	S170 T173	S170-S291 VanDerWaalsContact O-CB 3.3Å; S170-S291 WeakPolarHBondContact O-CB 3.46Å; S170-S291 PolarHBondContact O-OG 2.81Å; T173-S291 VanDerWaalsContact CB-OG 3.29Å; T173-S291 WeakPolarHBondContact CB-OG 3.42Å; T173-S291 PolarHBondContact OG1-OG 3.02Å; T173-S291 VanDerWaalsContact OG1-OG 3.08Å
292	Y	97.8	Very high	96.3	Very high	11 Å²	11	24.7 Å²	24.7	4%	0.043	15%	0.151	C	C	.	.			trans	-152	160.7	-179.8	58.1	-85.4	0	0	0	110.2	S170 T173 H174 Y178 L208 P294 F297 L309 P316 L317	S170-Y292 WeakPolarHBondContact CA-O 3.5Å; T173-Y292 WeakPolarHBondContact CB-O 3.27Å; T173-Y292 HydrophobicContact CG2-CD1 3.87Å; T173-Y292 HydrophobicContact CG2-CD2 3.64Å; T173-Y292 HydrophobicContact CG2-CE1 3.5Å; T173-Y292 VanDerWaalsContact CG2-CE1 3.5Å; T173-Y292 HydrophobicContact CG2-CE2 3.27Å; T173-Y292 HydrophobicContact CG2-CG 3.94Å; T173-Y292 WeakPolarHBondContact CG2-O 3.45Å; T173-Y292 PolarHBondContact OG1-O 2.91Å; H174-Y292 AromaticContact NE2-CE1 3.95Å; Y178-Y292 HydrophobicContact CD1-CE2 4.37Å; Y178-Y292 AromaticContact CE1-CE2 3.91Å; Y178-Y292 HydrophobicContact CE1-CE2 3.91Å; L208-Y292 WeakPolarHBondContact CD2-OH 3.2Å; Y292-P294 VanDerWaalsContact O-CD 3.31Å; Y292-P294 WeakPolarHBondContact O-CD 3.43Å; Y292-F297 HydrophobicContact CD2-CD2 4.39Å; Y292-F297 AromaticContact CD2-CE2 3.63Å; Y292-F297 HydrophobicContact CD2-CE2 3.63Å; Y292-F297 HydrophobicContact CE2-CD2 4.07Å; Y292-F297 AromaticContact CE2-CE2 3.4Å; Y292-F297 HydrophobicContact CE2-CE2 3.4Å; Y292-F297 VanDerWaalsContact CE2-CE2 3.4Å; Y292-F297 HydrophobicContact CE2-CZ 4.14Å; Y292-L309 HydrophobicContact CD2-CD1 4.07Å; Y292-L309 HydrophobicContact CG-CD1 4.16Å; Y292-L309 HydrophobicContact CG-CD2 4.15Å; Y292-P316 HydrophobicContact CD1-CB 4.28Å; Y292-P316 WeakPolarHBondContact CD1-O 3.45Å; Y292-P316 WeakPolarHBondContact CE1-O 3.4Å; Y292-L317 HydrophobicContact CD1-CD2 4.24Å; Y292-L317 HydrophobicContact CE1-CD2 3.8Å; Y292-L317 HydrophobicContact CE2-CD2 4.35Å
293	D	97.9	Very high	95.9	Very high	62 Å²	62	29.9 Å²	29.9	33%	0.332	19%	0.187	S	C	.	.			trans	-74.7	117	179	-179.9	10.9	0	0	0	111.2	N295 L296	D293-N295 PolarHBondContact O-N 3.31Å; D293-N295 VanDerWaalsContact OD1-CB 3.31Å; D293-N295 WeakPolarHBondContact OD1-CB 3.43Å; D293-N295 PolarHBondContact OD1-N 2.91Å; D293-N295 PolarHBondContact OD1-ND2 3.47Å; D293-L296 HydrophobicContact CB-CD1 4.25Å; D293-L296 HydrophobicContact CB-CG 4.12Å; D293-L296 WeakPolarHBondContact O-CB 3.46Å; D293-L296 PolarHBondContact O-N 3.33Å
294	P	98.1	Very high	95.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.6	177	26.4	-32.7	0	0	0	112.8	Y166 G169 T173 Y178 Y292 L296 F297	Y166-P294 HydrophobicContact CD2-CB 3.8Å; Y166-P294 HydrophobicContact CD2-CG 3.88Å; Y166-P294 HydrophobicContact CE2-CB 4.26Å; Y166-P294 HydrophobicContact CG-CB 4.21Å; Y166-P294 HydrophobicContact CG-CG 3.85Å; G169-P294 VanDerWaalsContact C-CD 3.49Å; G169-P294 WeakPolarHBondContact O-CD 3.4Å; T173-P294 HydrophobicContact CG2-CB 4.36Å; T173-P294 WeakPolarHBondContact OG1-CD 3.25Å; Y178-P294 HydrophobicContact CD1-CB 4.18Å; Y178-P294 HydrophobicContact CG-CB 4.46Å; Y292-P294 VanDerWaalsContact O-CD 3.31Å; Y292-P294 WeakPolarHBondContact O-CD 3.43Å; P294-L296 PolarHBondContact O-N 3.28Å; P294-F297 PolarHBondContact O-N 3.11Å
295	N	96.8	Very high	95.6	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.214	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-23.9	179.2	-62.5	-73.7	0	0	0	112.2	Y166 D293 F297 V298	Y166-N295 PolarHBondContact N-OD1 3.22Å; Y166-N295 PolarHBondContact O-ND2 3.32Å; D293-N295 PolarHBondContact O-N 3.31Å; D293-N295 VanDerWaalsContact OD1-CB 3.31Å; D293-N295 WeakPolarHBondContact OD1-CB 3.43Å; D293-N295 PolarHBondContact OD1-N 2.91Å; D293-N295 PolarHBondContact OD1-ND2 3.47Å; N295-F297 PolarHBondContact O-N 2.87Å; N295-F297 VanDerWaalsContact O-N 3.12Å; N295-V298 PolarHBondContact O-N 3.24Å
296	L	96.3	Very high	95.4	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-56.6	-27.4	173.8	-67.8	174.7	0	0	0	112.7	D293 P294 I301	D293-L296 HydrophobicContact CB-CD1 4.25Å; D293-L296 HydrophobicContact CB-CG 4.12Å; D293-L296 WeakPolarHBondContact O-CB 3.46Å; D293-L296 PolarHBondContact O-N 3.33Å; P294-L296 PolarHBondContact O-N 3.28Å; L296-I301 HydrophobicContact CB-CD1 4.07Å; L296-I301 HydrophobicContact CB-CG1 4.23Å; L296-I301 WeakPolarHBondContact O-CA 3.5Å; L296-I301 VanDerWaalsContact O-CB 3.26Å; L296-I301 WeakPolarHBondContact O-CB 3.3Å; L296-I301 PolarHBondContact O-N 3.21Å; L296-I301 VanDerWaalsContact O-N 3.16Å
297	F	97.2	Very high	95.3	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.044	27%	0.271	C	S	.	.	H	α-helix	trans	-92	-25.3	-175.4	-69.4	-93.7	0	0	0	114	Y178 S180 Y292 P294 N295 D299 G300 I301 Y306 L309 L317	Y178-F297 HydrophobicContact CD1-CB 4.41Å; Y178-F297 HydrophobicContact CD1-CD2 4.15Å; Y178-F297 HydrophobicContact CD1-CG 4.32Å; Y178-F297 HydrophobicContact CD2-CB 3.35Å; Y178-F297 HydrophobicContact CD2-CD1 4.39Å; Y178-F297 HydrophobicContact CD2-CD2 4.48Å; Y178-F297 AromaticContact CD2-CG 3.86Å; Y178-F297 HydrophobicContact CD2-CG 3.86Å; Y178-F297 HydrophobicContact CE1-CB 4.45Å; Y178-F297 HydrophobicContact CE1-CD1 4.35Å; Y178-F297 AromaticContact CE1-CD2 3.84Å; Y178-F297 HydrophobicContact CE1-CD2 3.84Å; Y178-F297 HydrophobicContact CE1-CE2 4.14Å; Y178-F297 AromaticContact CE1-CG 3.96Å; Y178-F297 HydrophobicContact CE1-CG 3.96Å; Y178-F297 HydrophobicContact CE1-CZ 4.48Å; Y178-F297 HydrophobicContact CE2-CB 3.42Å; Y178-F297 VanDerWaalsContact CE2-CB 3.42Å; Y178-F297 AromaticContact CE2-CD1 3.57Å; Y178-F297 HydrophobicContact CE2-CD1 3.57Å; Y178-F297 HydrophobicContact CE2-CD2 4.2Å; Y178-F297 HydrophobicContact CE2-CE1 4.36Å; Y178-F297 AromaticContact CE2-CG 3.46Å; Y178-F297 HydrophobicContact CE2-CG 3.46Å; Y178-F297 VanDerWaalsContact CE2-CG 3.46Å; Y178-F297 HydrophobicContact CG-CB 3.89Å; Y178-F297 HydrophobicContact CG-CD2 4.46Å; Y178-F297 HydrophobicContact CG-CG 4.27Å; Y178-F297 AromaticContact CZ-CD1 3.55Å; Y178-F297 AromaticContact CZ-CD2 3.88Å; Y178-F297 AromaticContact CZ-CE1 3.9Å; Y178-F297 AromaticContact CZ-CG 3.53Å; Y178-F297 WeakPolarHBondContact OH-CD1 3.29Å; Y178-F297 WeakPolarHBondContact OH-CE1 3.48Å; S180-F297 WeakPolarHBondContact CB-O 3.32Å; Y292-F297 HydrophobicContact CD2-CD2 4.39Å; Y292-F297 AromaticContact CD2-CE2 3.63Å; Y292-F297 HydrophobicContact CD2-CE2 3.63Å; Y292-F297 HydrophobicContact CE2-CD2 4.07Å; Y292-F297 AromaticContact CE2-CE2 3.4Å; Y292-F297 HydrophobicContact CE2-CE2 3.4Å; Y292-F297 VanDerWaalsContact CE2-CE2 3.4Å; Y292-F297 HydrophobicContact CE2-CZ 4.14Å; P294-F297 PolarHBondContact O-N 3.11Å; N295-F297 PolarHBondContact O-N 2.87Å; N295-F297 VanDerWaalsContact O-N 3.12Å; F297-D299 PolarHBondContact O-N 3.18Å; F297-G300 PolarHBondContact O-N 3.4Å; F297-G300 VanDerWaalsContact O-N 3.13Å; F297-I301 HydrophobicContact CD1-CB 4.02Å; F297-I301 HydrophobicContact CD1-CD1 4.22Å; F297-I301 HydrophobicContact CD1-CG2 3.74Å; F297-I301 HydrophobicContact CD2-CD1 4.2Å; F297-I301 HydrophobicContact CE1-CB 4.25Å; F297-I301 HydrophobicContact CE1-CD1 3.75Å; F297-I301 HydrophobicContact CE1-CG2 3.8Å; F297-I301 HydrophobicContact CE2-CD1 3.69Å; F297-I301 HydrophobicContact CG-CB 4.35Å; F297-I301 HydrophobicContact CG-CD1 4.45Å; F297-I301 HydrophobicContact CZ-CD1 3.46Å; F297-I301 VanDerWaalsContact CZ-CD1 3.46Å; F297-Y306 AromaticContact CE1-CD2 3.81Å; F297-Y306 HydrophobicContact CE1-CD2 3.81Å; F297-Y306 AromaticContact CE1-CE2 3.97Å; F297-Y306 HydrophobicContact CE1-CE2 3.97Å; F297-Y306 HydrophobicContact CZ-CD2 4.07Å; F297-Y306 HydrophobicContact CZ-CE2 4.35Å; F297-L309 HydrophobicContact CE2-CD1 3.83Å; F297-L309 HydrophobicContact CZ-CD1 3.73Å; F297-L317 HydrophobicContact CZ-CD2 4.46Å
298	V	94.5	Very high	95.2	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-53.9	-171.3	173.9	0	0	0	0	111.4	R163 R164 Y166 N295 G300	R163-V298 HydrophobicContact CB-CG1 4.19Å; R164-V298 HydrophobicContact CB-CG1 4.35Å; R164-V298 HydrophobicContact CB-CG2 4.38Å; R164-V298 VanDerWaalsContact O-CG1 3.28Å; R164-V298 WeakPolarHBondContact O-CG1 3.47Å; Y166-V298 HydrophobicContact CD2-CG2 4.09Å; Y166-V298 HydrophobicContact CE2-CG2 3.65Å; N295-V298 PolarHBondContact O-N 3.24Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 2.92Å
299	D	86.6	Confident	95.2	Very high	92 Å²	92	50.5 Å²	50.5	49%	0.492	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	13.2	-177.9	-66	-44.2	0	0	0	113	R163 F297	R163-D299 WeakPolarHBondContact CD-OD1 3.06Å; R163-D299 IonicContact NE-OD1 2.9Å; F297-D299 PolarHBondContact O-N 3.18Å
300	G	87.7	Confident	95.1	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	32%	0.317	S	S	.	.			trans	92.7	105.4	-177.6	0	0	0	0	0	112.8	F297 V298	F297-G300 PolarHBondContact O-N 3.4Å; F297-G300 VanDerWaalsContact O-N 3.13Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 2.92Å
301	I	92.8	Very high	95	Very high	38 Å²	38	58.9 Å²	58.9	20%	0.195	34%	0.338	C	S	.	.			trans	-60.8	137.7	179.3	-170.1	165.5	0	0	0	112.2	L296 F297 D305 Y306 L309	L296-I301 HydrophobicContact CB-CD1 4.07Å; L296-I301 HydrophobicContact CB-CG1 4.23Å; L296-I301 WeakPolarHBondContact O-CA 3.5Å; L296-I301 VanDerWaalsContact O-CB 3.26Å; L296-I301 WeakPolarHBondContact O-CB 3.3Å; L296-I301 PolarHBondContact O-N 3.21Å; L296-I301 VanDerWaalsContact O-N 3.16Å; F297-I301 HydrophobicContact CD1-CB 4.02Å; F297-I301 HydrophobicContact CD1-CD1 4.22Å; F297-I301 HydrophobicContact CD1-CG2 3.74Å; F297-I301 HydrophobicContact CD2-CD1 4.2Å; F297-I301 HydrophobicContact CE1-CB 4.25Å; F297-I301 HydrophobicContact CE1-CD1 3.75Å; F297-I301 HydrophobicContact CE1-CG2 3.8Å; F297-I301 HydrophobicContact CE2-CD1 3.69Å; F297-I301 HydrophobicContact CG-CB 4.35Å; F297-I301 HydrophobicContact CG-CD1 4.45Å; F297-I301 HydrophobicContact CZ-CD1 3.46Å; F297-I301 VanDerWaalsContact CZ-CD1 3.46Å; I301-D305 HydrophobicContact CD1-CB 4.18Å; I301-D305 HydrophobicContact CG1-CB 3.98Å; I301-Y306 HydrophobicContact CD1-CD2 4.17Å; I301-Y306 HydrophobicContact CG2-CD2 4.16Å; I301-Y306 HydrophobicContact CG2-CG 4.14Å; I301-L309 HydrophobicContact CD1-CD1 3.91Å
302	S	90.3	Very high	95	Very high	49 Å²	49	60 Å²	60	34%	0.343	34%	0.342	S	S	.	.			trans	-64.8	146.7	175.6	90	0	0	0	0	110.7	K304 D305 Y306	S302-K304 PolarHBondContact O-N 2.93Å; S302-K304 VanDerWaalsContact O-N 3.17Å; S302-K304 PolarHBondContact OG-N 3.35Å; S302-D305 WeakPolarHBondContact CB-OD2 3.43Å; S302-D305 PolarHBondContact O-N 2.93Å; S302-D305 WeakPolarHBondContact OG-CB 3.36Å; S302-D305 PolarHBondContact OG-N 3.43Å; S302-D305 PolarHBondContact OG-OD2 2.83Å; S302-Y306 WeakPolarHBondContact O-CB 3.31Å; S302-Y306 PolarHBondContact O-N 3.42Å
303	S	91.2	Very high	94.8	Very high	109 Å²	109	63.2 Å²	63.2	76%	0.762	37%	0.365	S	S	*	.	H	α-helix	trans	-59.7	-29.1	177	-53.9	0	0	0	0	112.4	S307	S303-S307 WeakPolarHBondContact O-CB 3.36Å; S303-S307 PolarHBondContact O-N 2.91Å
304	K	95.2	Very high	94.7	Very high	174 Å²	174	62.8 Å²	62.8	76%	0.757	36%	0.362	S	S	*	.	H	α-helix	trans	-68.2	-50.8	176.3	-179.4	-173.6	174	-170.8	0	111	S302 S307 G308	S302-K304 PolarHBondContact O-N 2.93Å; S302-K304 VanDerWaalsContact O-N 3.17Å; S302-K304 PolarHBondContact OG-N 3.35Å; K304-S307 PolarHBondContact O-N 2.92Å; K304-G308 PolarHBondContact O-N 2.84Å
305	D	95.7	Very high	94.6	Very high	67 Å²	67	65.5 Å²	65.5	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-69.2	-41.4	-176.9	-57.1	-37.5	0	0	0	110.8	I301 S302 S307 G308 L309	I301-D305 HydrophobicContact CD1-CB 4.18Å; I301-D305 HydrophobicContact CG1-CB 3.98Å; S302-D305 WeakPolarHBondContact CB-OD2 3.43Å; S302-D305 PolarHBondContact O-N 2.93Å; S302-D305 WeakPolarHBondContact OG-CB 3.36Å; S302-D305 PolarHBondContact OG-N 3.43Å; S302-D305 PolarHBondContact OG-OD2 2.83Å; D305-S307 PolarHBondContact O-N 2.93Å; D305-G308 WeakPolarHBondContact O-CA 3.49Å; D305-G308 PolarHBondContact O-N 2.82Å; D305-G308 VanDerWaalsContact O-N 3.09Å; D305-L309 PolarHBondContact O-N 3.03Å
306	Y	95.7	Very high	94.7	Very high	100 Å²	100	63.7 Å²	63.7	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-42.9	175.9	-171.5	-121.1	0	0	0	112.1	F297 I301 S302 G308 L309 L310	F297-Y306 AromaticContact CE1-CD2 3.81Å; F297-Y306 HydrophobicContact CE1-CD2 3.81Å; F297-Y306 AromaticContact CE1-CE2 3.97Å; F297-Y306 HydrophobicContact CE1-CE2 3.97Å; F297-Y306 HydrophobicContact CZ-CD2 4.07Å; F297-Y306 HydrophobicContact CZ-CE2 4.35Å; I301-Y306 HydrophobicContact CD1-CD2 4.17Å; I301-Y306 HydrophobicContact CG2-CD2 4.16Å; I301-Y306 HydrophobicContact CG2-CG 4.14Å; S302-Y306 WeakPolarHBondContact O-CB 3.31Å; S302-Y306 PolarHBondContact O-N 3.42Å; Y306-G308 VanDerWaalsContact C-N 3.25Å; Y306-G308 PolarHBondContact O-N 2.76Å; Y306-L309 PolarHBondContact O-N 2.83Å; Y306-L310 HydrophobicContact CD1-CD1 3.67Å; Y306-L310 HydrophobicContact CD1-CG 4.38Å; Y306-L310 HydrophobicContact CE1-CD1 3.32Å; Y306-L310 HydrophobicContact CE1-CG 4.05Å; Y306-L310 HydrophobicContact CE2-CD1 4.42Å; Y306-L310 HydrophobicContact CE2-CG 4.26Å; Y306-L310 HydrophobicContact CG-CD1 4.36Å; Y306-L310 WeakPolarHBondContact O-CB 3.36Å; Y306-L310 WeakPolarHBondContact O-CG 3.32Å; Y306-L310 PolarHBondContact O-N 2.81Å
307	S	96.1	Very high	94.8	Very high	50 Å²	50	63 Å²	63	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-33.1	173.3	-173.7	0	0	0	0	112	S303 K304 D305 N311	S303-S307 WeakPolarHBondContact O-CB 3.36Å; S303-S307 PolarHBondContact O-N 2.91Å; K304-S307 PolarHBondContact O-N 2.92Å; D305-S307 PolarHBondContact O-N 2.93Å; S307-N311 VanDerWaalsContact O-CB 3.24Å; S307-N311 WeakPolarHBondContact O-CB 3.42Å; S307-N311 VanDerWaalsContact O-CG 3.26Å; S307-N311 PolarHBondContact O-N 2.86Å; S307-N311 PolarHBondContact O-ND2 2.97Å; S307-N311 VanDerWaalsContact O-ND2 3.17Å; S307-N311 PolarHBondContact OG-ND2 3.4Å
308	G	97.1	Very high	94.8	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-47.9	172.9	0	0	0	0	0	112.1	K304 D305 Y306 D312	K304-G308 PolarHBondContact O-N 2.84Å; D305-G308 WeakPolarHBondContact O-CA 3.49Å; D305-G308 PolarHBondContact O-N 2.82Å; D305-G308 VanDerWaalsContact O-N 3.09Å; Y306-G308 VanDerWaalsContact C-N 3.25Å; Y306-G308 PolarHBondContact O-N 2.76Å; G308-D312 WeakPolarHBondContact O-CB 3.48Å; G308-D312 PolarHBondContact O-N 3.36Å; G308-D312 VanDerWaalsContact O-N 3.08Å
309	L	97.4	Very high	95	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-66.2	-40.3	177.8	-65.6	176.4	0	0	0	113	Y292 F297 I301 D305 Y306 P316 L317	Y292-L309 HydrophobicContact CD2-CD1 4.07Å; Y292-L309 HydrophobicContact CG-CD1 4.16Å; Y292-L309 HydrophobicContact CG-CD2 4.15Å; F297-L309 HydrophobicContact CE2-CD1 3.83Å; F297-L309 HydrophobicContact CZ-CD1 3.73Å; I301-L309 HydrophobicContact CD1-CD1 3.91Å; D305-L309 PolarHBondContact O-N 3.03Å; Y306-L309 PolarHBondContact O-N 2.83Å; L309-P316 HydrophobicContact CD2-CG 3.97Å; L309-L317 HydrophobicContact CB-CD1 4.25Å; L309-L317 HydrophobicContact CB-CD2 4.07Å; L309-L317 HydrophobicContact CB-CG 4.13Å; L309-L317 HydrophobicContact CD1-CD2 4.13Å
310	L	96.6	Very high	95.6	Very high	91 Å²	91	60.7 Å²	60.7	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-39.9	178.8	-77.8	174	0	0	0	112.9	Y306 L317	Y306-L310 HydrophobicContact CD1-CD1 3.67Å; Y306-L310 HydrophobicContact CD1-CG 4.38Å; Y306-L310 HydrophobicContact CE1-CD1 3.32Å; Y306-L310 HydrophobicContact CE1-CG 4.05Å; Y306-L310 HydrophobicContact CE2-CD1 4.42Å; Y306-L310 HydrophobicContact CE2-CG 4.26Å; Y306-L310 HydrophobicContact CG-CD1 4.36Å; Y306-L310 WeakPolarHBondContact O-CB 3.36Å; Y306-L310 WeakPolarHBondContact O-CG 3.32Å; Y306-L310 PolarHBondContact O-N 2.81Å; L310-L317 HydrophobicContact CD2-CD1 3.69Å; L310-L317 HydrophobicContact CG-CD1 4.2Å
311	N	97.2	Very high	96.1	Very high	123 Å²	123	58.1 Å²	58.1	66%	0.658	33%	0.329	S	S	*	.	H	α-helix	trans	-90.9	-3.9	-175.6	-64.7	-29.5	0	0	0	113.2	S307 P313	S307-N311 VanDerWaalsContact O-CB 3.24Å; S307-N311 WeakPolarHBondContact O-CB 3.42Å; S307-N311 VanDerWaalsContact O-CG 3.26Å; S307-N311 PolarHBondContact O-N 2.86Å; S307-N311 PolarHBondContact O-ND2 2.97Å; S307-N311 VanDerWaalsContact O-ND2 3.17Å; S307-N311 PolarHBondContact OG-ND2 3.4Å; N311-P313 VanDerWaalsContact O-CD 3.3Å; N311-P313 WeakPolarHBondContact O-CD 3.23Å
312	D	96.2	Very high	96.4	Very high	50 Å²	50	56.3 Å²	56.3	27%	0.267	32%	0.32	S	S	.	.			trans	-65.2	116.3	173.9	-174.7	-19.9	0	0	0	109.3	G308 N314 T315 P316	G308-D312 WeakPolarHBondContact O-CB 3.48Å; G308-D312 PolarHBondContact O-N 3.36Å; G308-D312 VanDerWaalsContact O-N 3.08Å; D312-N314 PolarHBondContact O-N 2.92Å; D312-N314 VanDerWaalsContact O-N 3.07Å; D312-N314 VanDerWaalsContact OD1-CB 3.28Å; D312-N314 WeakPolarHBondContact OD1-CB 3.41Å; D312-N314 PolarHBondContact OD1-N 2.95Å; D312-N314 PolarHBondContact OD1-ND2 2.98Å; D312-T315 PolarHBondContact O-N 2.83Å; D312-P316 HydrophobicContact CB-CG 4.09Å
313	P	94.6	Very high	96.8	Very high	79 Å²	79	56.6 Å²	56.6	51%	0.513	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.7	-178.4	32.1	-39.5	0	0	0	113.2	N311 T315 R567	N311-P313 VanDerWaalsContact O-CD 3.3Å; N311-P313 WeakPolarHBondContact O-CD 3.23Å; P313-T315 VanDerWaalsContact C-N 3.3Å; P313-R567 VanDerWaalsContact CB-NH2 3.35Å; P313-R567 VanDerWaalsContact CG-NH2 3.31Å
314	N	95.7	Very high	97.1	Very high	53 Å²	53	51.7 Å²	51.7	28%	0.283	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.4	171.6	-56.6	-44.6	0	0	0	113.3	R270 P290 D312 R320 R567	R270-N314 HydrophobicContact CG-CB 4.04Å; P290-N314 HydrophobicContact CG-CB 3.72Å; D312-N314 PolarHBondContact O-N 2.92Å; D312-N314 VanDerWaalsContact O-N 3.07Å; D312-N314 VanDerWaalsContact OD1-CB 3.28Å; D312-N314 WeakPolarHBondContact OD1-CB 3.41Å; D312-N314 PolarHBondContact OD1-N 2.95Å; D312-N314 PolarHBondContact OD1-ND2 2.98Å; N314-R320 PolarHBondContact O-NH1 3.39Å; N314-R320 VanDerWaalsContact O-NH1 3.15Å; N314-R320 PolarHBondContact O-NH2 2.95Å; N314-R567 PolarHBondContact OD1-NH2 3.23Å
315	T	96.7	Very high	97.2	Very high	60 Å²	60	45.2 Å²	45.2	37%	0.368	26%	0.257	S	S	.	.			trans	48.9	61	171.1	68.5	0	0	0	0	113.4	D312 P313 L317 V318 R320	D312-T315 PolarHBondContact O-N 2.83Å; P313-T315 VanDerWaalsContact C-N 3.3Å; T315-L317 PolarHBondContact O-N 3.47Å; T315-V318 PolarHBondContact O-N 2.98Å; T315-R320 PolarHBondContact O-NH1 3.23Å; T315-R320 VanDerWaalsContact O-NH1 3.12Å; T315-R320 PolarHBondContact OG1-NH2 2.99Å
316	P	97.6	Very high	97.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.013	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	-178	26.8	-34.9	0	0	0	113.3	H174 P290 Y292 L309 D312 V318	H174-P316 PolarHBondContact NE2-O 3.41Å; P290-P316 HydrophobicContact CB-CB 4.3Å; P290-P316 HydrophobicContact CG-CB 4.03Å; P290-P316 WeakPolarHBondContact O-CA 3.42Å; Y292-P316 HydrophobicContact CD1-CB 4.28Å; Y292-P316 WeakPolarHBondContact CD1-O 3.45Å; Y292-P316 WeakPolarHBondContact CE1-O 3.4Å; L309-P316 HydrophobicContact CD2-CG 3.97Å; D312-P316 HydrophobicContact CB-CG 4.09Å; P316-V318 PolarHBondContact O-N 2.96Å
317	L	98.2	Very high	97.3	Very high	51 Å²	51	39.2 Å²	39.2	27%	0.267	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.7	177.2	-63.2	175	0	0	0	114.1	Y292 F297 L309 L310 T315	Y292-L317 HydrophobicContact CD1-CD2 4.24Å; Y292-L317 HydrophobicContact CE1-CD2 3.8Å; Y292-L317 HydrophobicContact CE2-CD2 4.35Å; F297-L317 HydrophobicContact CZ-CD2 4.46Å; L309-L317 HydrophobicContact CB-CD1 4.25Å; L309-L317 HydrophobicContact CB-CD2 4.07Å; L309-L317 HydrophobicContact CB-CG 4.13Å; L309-L317 HydrophobicContact CD1-CD2 4.13Å; L310-L317 HydrophobicContact CD2-CD1 3.69Å; L310-L317 HydrophobicContact CG-CD1 4.2Å; T315-L317 PolarHBondContact O-N 3.47Å
318	V	98	Very high	97.4	Very high	49 Å²	49	36.8 Å²	36.8	30%	0.297	22%	0.215	S	C	.	.	S	Bend	trans	-85.1	124.6	-178.2	177.8	0	0	0	0	109.9	S288 T315 P316 R320 Q323	S288-V318 PolarHBondContact OG-O 3.38Å; S288-V318 VanDerWaalsContact OG-O 3.05Å; T315-V318 PolarHBondContact O-N 2.98Å; P316-V318 PolarHBondContact O-N 2.96Å; V318-R320 HydrophobicContact CG1-CG 4.27Å; V318-R320 PolarHBondContact O-N 3.1Å; V318-R320 VanDerWaalsContact O-N 3.08Å; V318-Q323 HydrophobicContact CG1-CB 4.26Å
319	N	98.6	Very high	97.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	20%	0.195	C	C	.	.			trans	-75	94.3	165.9	-175.7	-17.4	0	0	0	108.7	H174 A321 T322 Q323 G324	H174-N319 HydrophobicContact CB-CB 3.91Å; H174-N319 PolarHBondContact O-ND2 3.2Å; N319-A321 PolarHBondContact O-N 3.16Å; N319-A321 WeakPolarHBondContact OD1-CB 3.46Å; N319-A321 PolarHBondContact OD1-N 3.48Å; N319-A321 VanDerWaalsContact OD1-N 3.11Å; N319-T322 PolarHBondContact ND2-OG1 2.97Å; N319-T322 PolarHBondContact O-N 3.09Å; N319-T322 PolarHBondContact OD1-N 3.15Å; N319-T322 PolarHBondContact OD1-OG1 3.01Å; N319-Q323 HydrophobicContact CB-CG 4.38Å; N319-Q323 WeakPolarHBondContact O-CA 3.43Å; N319-Q323 WeakPolarHBondContact O-CB 3.21Å; N319-Q323 PolarHBondContact O-N 3.15Å; N319-G324 PolarHBondContact O-N 3.45Å
320	R	98.6	Very high	97.4	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-25.1	-177.4	-72.5	176.5	163.2	77.1	2.5	113.2	A272 S288 T289 N314 T315 V318 T322 G324 P462 E592	A272-R320 HydrophobicContact CB-CB 3.73Å; S288-R320 WeakPolarHBondContact OG-CB 3.26Å; S288-R320 PolarHBondContact OG-N 2.81Å; T289-R320 WeakPolarHBondContact O-CD 3.38Å; T289-R320 PolarHBondContact O-NH1 2.64Å; N314-R320 PolarHBondContact O-NH1 3.39Å; N314-R320 VanDerWaalsContact O-NH1 3.15Å; N314-R320 PolarHBondContact O-NH2 2.95Å; T315-R320 PolarHBondContact O-NH1 3.23Å; T315-R320 VanDerWaalsContact O-NH1 3.12Å; T315-R320 PolarHBondContact OG1-NH2 2.99Å; V318-R320 HydrophobicContact CG1-CG 4.27Å; V318-R320 PolarHBondContact O-N 3.1Å; V318-R320 VanDerWaalsContact O-N 3.08Å; R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.85Å; R320-G324 VanDerWaalsContact O-CA 3.26Å; R320-G324 WeakPolarHBondContact O-CA 3.33Å; R320-G324 PolarHBondContact O-N 3.42Å; R320-G324 VanDerWaalsContact O-N 3.09Å; R320-P462 VanDerWaalsContact O-CD 3.3Å; R320-P462 WeakPolarHBondContact O-CD 3.45Å; R320-P462 WeakPolarHBondContact O-CG 3.35Å; R320-E592 IonicContact CZ-OE1 3.75Å; R320-E592 IonicContact CZ-OE2 2.66Å; R320-E592 VanDerWaalsContact NE-CD 3.31Å; R320-E592 IonicContact NE-OE1 3.79Å; R320-E592 PolarHBondContact NE-OE1 3.06Å; R320-E592 IonicContact NE-OE2 3.73Å; R320-E592 IonicContact NH2-OE1 2.61Å; R320-E592 IonicContact NH2-OE2 2.86Å; R320-E592 PolarHBondContact NH2-OE2 2.88Å
321	A	98.7	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-34.5	179.6	0	0	0	0	0	112.5	A272 V274 L286 N319 P462 I463	A272-A321 HydrophobicContact CB-CB 4.14Å; V274-A321 HydrophobicContact CG2-CB 3.87Å; L286-A321 HydrophobicContact CD1-CB 4.48Å; L286-A321 HydrophobicContact CD2-CB 3.63Å; L286-A321 HydrophobicContact CG-CB 3.82Å; N319-A321 PolarHBondContact O-N 3.16Å; N319-A321 WeakPolarHBondContact OD1-CB 3.46Å; N319-A321 PolarHBondContact OD1-N 3.48Å; N319-A321 VanDerWaalsContact OD1-N 3.11Å; A321-P462 WeakPolarHBondContact O-CD 3.35Å; A321-I463 WeakPolarHBondContact O-CB 3.48Å; A321-I463 PolarHBondContact O-N 3.44Å
322	T	98.7	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-115.1	-20.9	-175.9	58.6	0	0	0	0	113.9	L286 N319 R320 L421 E423 R425 T461 I463	L286-T322 HydrophobicContact CD1-CG2 4.24Å; N319-T322 PolarHBondContact ND2-OG1 2.97Å; N319-T322 PolarHBondContact O-N 3.09Å; N319-T322 PolarHBondContact OD1-N 3.15Å; N319-T322 PolarHBondContact OD1-OG1 3.01Å; R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.85Å; T322-L421 HydrophobicContact CG2-CD1 4.01Å; T322-E423 WeakPolarHBondContact CB-O 3.34Å; T322-E423 PolarHBondContact OG1-O 3.19Å; T322-R425 PolarHBondContact O-N 3.26Å; T322-T461 WeakPolarHBondContact O-CG2 3.34Å; T322-I463 HydrophobicContact CG2-CB 4.32Å; T322-I463 HydrophobicContact CG2-CG2 4.07Å
323	Q	98.6	Very high	97.7	Very high	55 Å²	55	21.8 Å²	21.8	26%	0.257	13%	0.127	S	C	.	.	H	α-helix	trans	-118.4	-12.6	-178.1	-50.7	179.8	-63.7	0	0	113.4	V318 N319 V325 E423 R425	V318-Q323 HydrophobicContact CG1-CB 4.26Å; N319-Q323 HydrophobicContact CB-CG 4.38Å; N319-Q323 WeakPolarHBondContact O-CA 3.43Å; N319-Q323 WeakPolarHBondContact O-CB 3.21Å; N319-Q323 PolarHBondContact O-N 3.15Å; Q323-V325 PolarHBondContact O-N 3.4Å; Q323-E423 HydrophobicContact CG-CB 4.24Å; Q323-E423 VanDerWaalsContact CG-O 3.24Å; Q323-E423 WeakPolarHBondContact CG-O 3.33Å; Q323-R425 HydrophobicContact CB-CG 4.16Å; Q323-R425 WeakPolarHBondContact O-CD 3.33Å
324	G	97	Very high	97.9	Very high	5 Å²	5	18 Å²	18	5%	0.052	10%	0.102	C	C	.	.			trans	-69.3	112	173.5	0	0	0	0	0	109.7	N319 R320 Y326 T461 P462	N319-G324 PolarHBondContact O-N 3.45Å; R320-G324 VanDerWaalsContact O-CA 3.26Å; R320-G324 WeakPolarHBondContact O-CA 3.33Å; R320-G324 PolarHBondContact O-N 3.42Å; R320-G324 VanDerWaalsContact O-N 3.09Å; G324-Y326 VanDerWaalsContact CA-CE2 3.41Å; G324-Y326 WeakPolarHBondContact O-CD2 3.26Å; G324-Y326 WeakPolarHBondContact O-CE2 3.24Å; G324-T461 VanDerWaalsContact O-CA 3.32Å; G324-T461 WeakPolarHBondContact O-CA 3.36Å; G324-T461 WeakPolarHBondContact O-CG2 3.32Å; G324-P462 WeakPolarHBondContact O-CD 3.36Å
325	V	97.6	Very high	98	Very high	38 Å²	38	15.5 Å²	15.5	23%	0.23	9%	0.089	C	C	.	.			trans	-107.7	109.6	-175.3	175.4	0	0	0	0	109.1	Q323 R425 T459 T461	Q323-V325 PolarHBondContact O-N 3.4Å; V325-R425 HydrophobicContact CG2-CB 3.77Å; V325-R425 HydrophobicContact CG2-CG 4.47Å; V325-T459 VanDerWaalsContact CG1-CB 3.42Å; V325-T459 HydrophobicContact CG1-CG2 4.16Å; V325-T459 VanDerWaalsContact CG1-OG1 3.31Å; V325-T459 WeakPolarHBondContact CG1-OG1 3.32Å; V325-T461 HydrophobicContact CG2-CG2 4.06Å
326	Y	96.2	Very high	98.1	Very high	14 Å²	14	12.7 Å²	12.7	6%	0.055	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-130.6	153.4	-173.3	-45.5	-79.7	0	0	0	110.5	G324 P328 T459 A460 P462 H571 I590 E592	G324-Y326 VanDerWaalsContact CA-CE2 3.41Å; G324-Y326 WeakPolarHBondContact O-CD2 3.26Å; G324-Y326 WeakPolarHBondContact O-CE2 3.24Å; Y326-P328 WeakPolarHBondContact O-CD 3.5Å; Y326-T459 CarbonylContact O-C 3.57Å; Y326-T459 VanDerWaalsContact O-CA 3.31Å; Y326-T459 WeakPolarHBondContact O-CA 3.33Å; Y326-A460 PolarHBondContact N-O 3.22Å; Y326-A460 PolarHBondContact O-N 3.16Å; Y326-A460 VanDerWaalsContact O-O 3.12Å; Y326-P462 HydrophobicContact CD2-CG 4.48Å; Y326-P462 HydrophobicContact CE2-CG 4.21Å; Y326-H571 AromaticContact CD1-NE2 3.99Å; Y326-I590 HydrophobicContact CD1-CD1 3.68Å; Y326-I590 HydrophobicContact CD2-CD1 3.48Å; Y326-I590 VanDerWaalsContact CD2-CD1 3.48Å; Y326-I590 HydrophobicContact CD2-CG2 4.37Å; Y326-I590 HydrophobicContact CE1-CD1 4.05Å; Y326-I590 HydrophobicContact CE2-CD1 3.86Å; Y326-I590 HydrophobicContact CE2-CG2 4.01Å; Y326-I590 HydrophobicContact CG-CD1 3.37Å; Y326-E592 HydrophobicContact CE1-CG 3.94Å; Y326-E592 WeakPolarHBondContact CE1-OE1 3.3Å; Y326-E592 PolarHBondContact OH-OE1 3.07Å
327	P	97.5	Very high	98.2	Very high	27 Å²	27	12.6 Å²	12.6	18%	0.175	7%	0.071	C	C	.	.			trans	-58.6	124	163.3	-19.4	31.1	0	0	0	109.2	A329 Q455 A548	P327-A329 PolarHBondContact O-N 2.6Å; P327-Q455 VanDerWaalsContact CB-OE1 3.25Å; P327-A548 HydrophobicContact CB-CB 3.97Å; P327-A548 HydrophobicContact CG-CB 4.17Å; P327-A548 WeakPolarHBondContact O-CB 3.22Å
328	P	98.1	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.			trans	-68	-20.3	178.5	29	-36.1	0	0	0	112	Y326 T331 V332 Y413 G454 W458 A460 M465	Y326-P328 WeakPolarHBondContact O-CD 3.5Å; P328-T331 PolarHBondContact O-N 3.49Å; P328-T331 PolarHBondContact O-OG1 2.77Å; P328-V332 HydrophobicContact CB-CG1 3.49Å; P328-V332 VanDerWaalsContact CB-CG1 3.49Å; P328-V332 HydrophobicContact CG-CG1 3.44Å; P328-V332 VanDerWaalsContact CG-CG1 3.44Å; P328-Y413 HydrophobicContact CB-CE1 4.49Å; P328-G454 WeakPolarHBondContact CD-O 3.42Å; P328-W458 HydrophobicContact CG-CD2 4Å; P328-W458 HydrophobicContact CG-CG 4.07Å; P328-W458 HydrophobicContact CG-CZ2 4.32Å; P328-A460 HydrophobicContact CB-CB 4.12Å; P328-A460 HydrophobicContact CG-CB 4.15Å; P328-M465 HydrophobicContact CB-CE 3.99Å
329	A	96.9	Very high	98.3	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.008	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	53.5	-146.7	178.9	0	0	0	0	0	111.8	P327 T331 V332 I453 G454 T547 A548	P327-A329 PolarHBondContact O-N 2.6Å; A329-T331 PolarHBondContact O-N 3.09Å; A329-V332 WeakPolarHBondContact O-CG2 3.3Å; A329-V332 PolarHBondContact O-N 2.78Å; A329-I453 CarbonylContact C-O 3.6Å; A329-I453 WeakPolarHBondContact CA-O 3.22Å; A329-G454 WeakPolarHBondContact CA-O 3.36Å; A329-G454 PolarHBondContact N-O 3.07Å; A329-T547 VanDerWaalsContact CB-O 3.28Å; A329-T547 WeakPolarHBondContact CB-O 3.28Å; A329-A548 HydrophobicContact CB-CB 4.37Å
330	S	98.3	Very high	98.3	Very high	15 Å²	15	7.6 Å²	7.6	11%	0.105	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-63.4	-3.4	-174.2	-73.4	0	0	0	0	115.7	V332 K333 S387 I453 K544 S545	S330-V332 PolarHBondContact O-N 3.26Å; S330-K333 PolarHBondContact O-N 3.01Å; S330-K333 WeakPolarHBondContact OG-CE 3.42Å; S330-K333 PolarHBondContact OG-NZ 2.61Å; S330-S387 WeakPolarHBondContact CB-OG 3.43Å; S330-S387 PolarHBondContact OG-OG 3.23Å; S330-I453 PolarHBondContact N-O 3.33Å; S330-K544 WeakPolarHBondContact O-CE 3.3Å; S330-K544 VanDerWaalsContact O-CG 3.24Å; S330-K544 WeakPolarHBondContact O-CG 3.41Å; S330-K544 PolarHBondContact O-NZ 3.15Å; S330-S545 CarbonylContact C-O 3.48Å; S330-S545 WeakPolarHBondContact CB-O 3.17Å
331	T	98.6	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21.5	171.9	66.6	0	0	0	0	111.7	P328 A329 P334 Y335 L573 T575	P328-T331 PolarHBondContact O-N 3.49Å; P328-T331 PolarHBondContact O-OG1 2.77Å; A329-T331 PolarHBondContact O-N 3.09Å; T331-P334 WeakPolarHBondContact O-CD 3.41Å; T331-Y335 VanDerWaalsContact O-CE2 3.24Å; T331-Y335 WeakPolarHBondContact O-CE2 3.41Å; T331-L573 HydrophobicContact CG2-CB 3.82Å; T331-T575 HydrophobicContact CG2-CG2 4.34Å
332	V	98.8	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-81.5	-17.5	-177	-49.9	0	0	0	0	114.8	P328 A329 S330 P334 Y335 V336 W458	P328-V332 HydrophobicContact CB-CG1 3.49Å; P328-V332 VanDerWaalsContact CB-CG1 3.49Å; P328-V332 HydrophobicContact CG-CG1 3.44Å; P328-V332 VanDerWaalsContact CG-CG1 3.44Å; A329-V332 WeakPolarHBondContact O-CG2 3.3Å; A329-V332 PolarHBondContact O-N 2.78Å; S330-V332 PolarHBondContact O-N 3.26Å; V332-P334 VanDerWaalsContact C-CD 3.41Å; V332-P334 VanDerWaalsContact C-N 3.33Å; V332-Y335 HydrophobicContact CB-CD2 4.18Å; V332-Y335 WeakPolarHBondContact O-CD2 3.44Å; V332-Y335 PolarHBondContact O-N 3.34Å; V332-V336 HydrophobicContact CB-CG2 4.41Å; V332-V336 HydrophobicContact CG2-CG2 3.99Å; V332-V336 PolarHBondContact O-N 3.27Å; V332-W458 HydrophobicContact CB-CH2 3.47Å; V332-W458 VanDerWaalsContact CB-CH2 3.47Å; V332-W458 HydrophobicContact CB-CZ2 4.05Å; V332-W458 HydrophobicContact CB-CZ3 3.98Å; V332-W458 HydrophobicContact CG1-CH2 3.5Å; V332-W458 HydrophobicContact CG1-CZ2 3.56Å; V332-W458 HydrophobicContact CG1-CZ3 4.07Å; V332-W458 HydrophobicContact CG2-CE3 4.49Å; V332-W458 HydrophobicContact CG2-CH2 3.74Å; V332-W458 HydrophobicContact CG2-CZ3 3.68Å
333	K	98.8	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-53.4	-39.8	-172.5	-74	177.7	171.7	165.8	0	113.8	S330 Y335 V336 A337 L384 S387 A388 D389 F392	S330-K333 PolarHBondContact O-N 3.01Å; S330-K333 WeakPolarHBondContact OG-CE 3.42Å; S330-K333 PolarHBondContact OG-NZ 2.61Å; K333-Y335 PolarHBondContact O-N 3.31Å; K333-V336 PolarHBondContact O-N 3.5Å; K333-A337 VanDerWaalsContact O-CB 3.25Å; K333-A337 WeakPolarHBondContact O-CB 3.2Å; K333-A337 PolarHBondContact O-N 3.46Å; K333-L384 HydrophobicContact CB-CD2 3.77Å; K333-S387 PolarHBondContact NZ-O 3.11Å; K333-S387 PolarHBondContact NZ-OG 3.22Å; K333-A388 WeakPolarHBondContact CE-O 3.2Å; K333-A388 PolarHBondContact NZ-O 3.48Å; K333-D389 IonicContact NZ-OD1 3.41Å; K333-D389 PolarHBondContact NZ-OD1 2.88Å; K333-F392 HydrophobicContact CB-CD1 4.38Å; K333-F392 HydrophobicContact CB-CD2 4.27Å; K333-F392 HydrophobicContact CB-CE1 3.89Å; K333-F392 HydrophobicContact CB-CE2 3.76Å; K333-F392 HydrophobicContact CB-CZ 3.56Å; K333-F392 HydrophobicContact CD-CD2 3.64Å; K333-F392 HydrophobicContact CD-CE2 3.69Å; K333-F392 HydrophobicContact CD-CG 4.27Å; K333-F392 HydrophobicContact CD-CZ 4.38Å; K333-F392 HydrophobicContact CG-CD1 4.12Å; K333-F392 HydrophobicContact CG-CD2 3.73Å; K333-F392 HydrophobicContact CG-CE1 4.14Å; K333-F392 HydrophobicContact CG-CE2 3.73Å; K333-F392 HydrophobicContact CG-CG 3.92Å; K333-F392 HydrophobicContact CG-CZ 3.95Å; K333-F392 WeakPolarHBondContact O-CE1 3.31Å; K333-F392 WeakPolarHBondContact O-CZ 3.45Å
334	P	98.9	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-44.5	173.5	-25.5	35.9	0	0	0	113.1	T331 V332 A337 V338 L384 L472 A515 M519 K544	T331-P334 WeakPolarHBondContact O-CD 3.41Å; V332-P334 VanDerWaalsContact C-CD 3.41Å; V332-P334 VanDerWaalsContact C-N 3.33Å; P334-A337 WeakPolarHBondContact O-CB 3.45Å; P334-A337 PolarHBondContact O-N 3.11Å; P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 2.93Å; P334-L384 HydrophobicContact CB-CD2 4.45Å; P334-L384 HydrophobicContact CG-CD2 4.1Å; P334-L472 HydrophobicContact CB-CD2 3.62Å; P334-A515 HydrophobicContact CB-CB 4.38Å; P334-M519 HydrophobicContact CB-CG 4.28Å; P334-M519 HydrophobicContact CB-SD 3.93Å; P334-M519 HydrophobicContact CG-CG 3.74Å; P334-M519 HydrophobicContact CG-SD 3.69Å; P334-K544 HydrophobicContact CG-CB 4.2Å; P334-K544 HydrophobicContact CG-CD 4.28Å; P334-K544 HydrophobicContact CG-CG 4.03Å
335	Y	98.8	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.2	-43.5	-178.9	-35.2	-57.1	0	0	0	111	T331 V332 K333 A337 V338 S339 F411 Y413 A468 L472	T331-Y335 VanDerWaalsContact O-CE2 3.24Å; T331-Y335 WeakPolarHBondContact O-CE2 3.41Å; V332-Y335 HydrophobicContact CB-CD2 4.18Å; V332-Y335 WeakPolarHBondContact O-CD2 3.44Å; V332-Y335 PolarHBondContact O-N 3.34Å; K333-Y335 PolarHBondContact O-N 3.31Å; Y335-A337 VanDerWaalsContact C-N 3.27Å; Y335-A337 PolarHBondContact O-N 2.93Å; Y335-V338 PolarHBondContact O-N 3.01Å; Y335-S339 PolarHBondContact O-N 3.21Å; Y335-S339 PolarHBondContact O-OG 2.98Å; Y335-F411 AromaticContact CD1-CD1 3.97Å; Y335-F411 HydrophobicContact CD1-CD1 3.97Å; Y335-F411 AromaticContact CD1-CE1 3.82Å; Y335-F411 HydrophobicContact CD1-CE1 3.82Å; Y335-F411 HydrophobicContact CD1-CZ 4.49Å; Y335-F411 HydrophobicContact CG-CD1 4.15Å; Y335-F411 HydrophobicContact CG-CE1 4.23Å; Y335-Y413 AromaticContact CD2-CE2 3.88Å; Y335-Y413 HydrophobicContact CD2-CE2 3.88Å; Y335-Y413 WeakPolarHBondContact CD2-OH 3.32Å; Y335-Y413 HydrophobicContact CE2-CE2 4.3Å; Y335-Y413 WeakPolarHBondContact CE2-OH 3.1Å; Y335-A468 HydrophobicContact CD1-CB 4.47Å; Y335-A468 HydrophobicContact CD2-CB 4.31Å; Y335-A468 HydrophobicContact CE1-CB 4.16Å; Y335-A468 VanDerWaalsContact CE1-O 3.3Å; Y335-A468 WeakPolarHBondContact CE1-O 3.38Å; Y335-A468 HydrophobicContact CE2-CB 4.03Å; Y335-L472 HydrophobicContact CD1-CB 4.11Å; Y335-L472 HydrophobicContact CD1-CD2 4.21Å; Y335-L472 HydrophobicContact CE1-CB 3.9Å; Y335-L472 HydrophobicContact CE1-CD2 3.87Å
336	V	98.8	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-38.2	174.8	177.8	0	0	0	0	111.1	V332 K333 S339 A340 F392 V395 L404 M408 W458	V332-V336 HydrophobicContact CB-CG2 4.41Å; V332-V336 HydrophobicContact CG2-CG2 3.99Å; V332-V336 PolarHBondContact O-N 3.27Å; K333-V336 PolarHBondContact O-N 3.5Å; V336-S339 PolarHBondContact O-N 3.01Å; V336-A340 WeakPolarHBondContact O-CB 3.42Å; V336-A340 PolarHBondContact O-N 3.15Å; V336-F392 HydrophobicContact CB-CD1 4.12Å; V336-F392 HydrophobicContact CB-CE1 4.15Å; V336-F392 HydrophobicContact CG1-CD1 3.78Å; V336-F392 HydrophobicContact CG1-CE1 4.16Å; V336-V395 HydrophobicContact CG1-CG1 3.89Å; V336-L404 HydrophobicContact CG1-CD1 4.07Å; V336-L404 HydrophobicContact CG2-CD1 4.19Å; V336-M408 HydrophobicContact CG2-CE 4.33Å; V336-M408 HydrophobicContact CG2-SD 3.89Å; V336-W458 HydrophobicContact CG2-CH2 4.38Å; V336-W458 HydrophobicContact CG2-CZ3 4.32Å
337	A	98.8	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-48.5	175.7	0	0	0	0	0	111.8	K333 P334 Y335 S339 A340 L341 V380 L384 F392	K333-A337 VanDerWaalsContact O-CB 3.25Å; K333-A337 WeakPolarHBondContact O-CB 3.2Å; K333-A337 PolarHBondContact O-N 3.46Å; P334-A337 WeakPolarHBondContact O-CB 3.45Å; P334-A337 PolarHBondContact O-N 3.11Å; Y335-A337 VanDerWaalsContact C-N 3.27Å; Y335-A337 PolarHBondContact O-N 2.93Å; A337-S339 VanDerWaalsContact C-N 3.33Å; A337-S339 PolarHBondContact O-N 3.24Å; A337-A340 PolarHBondContact O-N 2.94Å; A337-L341 WeakPolarHBondContact O-CD1 3.3Å; A337-L341 VanDerWaalsContact O-CG 3.28Å; A337-L341 WeakPolarHBondContact O-CG 3.49Å; A337-L341 PolarHBondContact O-N 2.87Å; A337-V380 HydrophobicContact CB-CG2 3.58Å; A337-L384 HydrophobicContact CB-CD1 4.26Å; A337-L384 HydrophobicContact CB-CD2 4.43Å; A337-F392 HydrophobicContact CB-CE1 4.08Å; A337-F392 HydrophobicContact CB-CZ 4.21Å
338	V	98.7	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.4	-48.3	175.1	174.2	0	0	0	0	110.4	P334 Y335 A340 L341 S342 F411 L472 W512 A515	P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 2.93Å; Y335-V338 PolarHBondContact O-N 3.01Å; V338-A340 VanDerWaalsContact C-N 3.34Å; V338-A340 PolarHBondContact O-N 3.47Å; V338-L341 PolarHBondContact O-N 2.91Å; V338-S342 WeakPolarHBondContact O-CB 3.3Å; V338-S342 PolarHBondContact O-N 2.85Å; V338-S342 PolarHBondContact O-OG 3.34Å; V338-S342 VanDerWaalsContact O-OG 3.12Å; V338-F411 HydrophobicContact CB-CZ 4.46Å; V338-F411 HydrophobicContact CG1-CZ 4.45Å; V338-L472 HydrophobicContact CG2-CD1 4.05Å; V338-W512 HydrophobicContact CB-CZ3 4.45Å; V338-W512 HydrophobicContact CG1-CD2 4.17Å; V338-W512 HydrophobicContact CG1-CE3 3.8Å; V338-W512 HydrophobicContact CG1-CH2 3.8Å; V338-W512 HydrophobicContact CG1-CZ2 4.15Å; V338-W512 HydrophobicContact CG1-CZ3 3.64Å; V338-W512 HydrophobicContact CG2-CE3 4.06Å; V338-W512 HydrophobicContact CG2-CZ3 4.41Å; V338-A515 HydrophobicContact CG2-CB 3.59Å
339	S	98.7	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-40.5	179.7	-59.1	0	0	0	0	113.3	Y335 V336 A337 S342 A343 W407 M408	Y335-S339 PolarHBondContact O-N 3.21Å; Y335-S339 PolarHBondContact O-OG 2.98Å; V336-S339 PolarHBondContact O-N 3.01Å; A337-S339 VanDerWaalsContact C-N 3.33Å; A337-S339 PolarHBondContact O-N 3.24Å; S339-S342 PolarHBondContact O-N 2.87Å; S339-A343 WeakPolarHBondContact O-CB 3.43Å; S339-A343 PolarHBondContact O-N 3.03Å; S339-W407 WeakPolarHBondContact OG-CB 3.35Å; S339-M408 WeakPolarHBondContact OG-CE 3.37Å
340	A	98.6	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-35.7	178.9	0	0	0	0	0	112.7	V336 A337 V338 G344 V345 I346 V395 M399	V336-A340 WeakPolarHBondContact O-CB 3.42Å; V336-A340 PolarHBondContact O-N 3.15Å; A337-A340 PolarHBondContact O-N 2.94Å; V338-A340 VanDerWaalsContact C-N 3.34Å; V338-A340 PolarHBondContact O-N 3.47Å; A340-G344 PolarHBondContact O-N 3.25Å; A340-V345 PolarHBondContact O-N 3.06Å; A340-I346 HydrophobicContact CB-CD1 3.77Å; A340-I346 HydrophobicContact CB-CG1 3.73Å; A340-I346 PolarHBondContact O-N 2.77Å; A340-V395 HydrophobicContact CB-CG1 3.45Å; A340-V395 VanDerWaalsContact CB-CG1 3.45Å; A340-M399 HydrophobicContact CB-CG 4.46Å; A340-M399 HydrophobicContact CB-SD 4.3Å
341	L	98.5	Very high	98.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-48	172.4	-69.9	159.7	0	0	0	110.8	A337 V338 A343 G344 I346 Y511 L514	A337-L341 WeakPolarHBondContact O-CD1 3.3Å; A337-L341 VanDerWaalsContact O-CG 3.28Å; A337-L341 WeakPolarHBondContact O-CG 3.49Å; A337-L341 PolarHBondContact O-N 2.87Å; V338-L341 PolarHBondContact O-N 2.91Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 2.82Å; L341-G344 PolarHBondContact O-N 2.85Å; L341-I346 HydrophobicContact CD2-CD1 4.36Å; L341-I346 HydrophobicContact CD2-CG1 3.94Å; L341-I346 HydrophobicContact CG-CD1 4.16Å; L341-I346 HydrophobicContact CG-CG1 3.97Å; L341-Y511 HydrophobicContact CB-CD1 3.67Å; L341-Y511 HydrophobicContact CB-CD2 3.87Å; L341-Y511 HydrophobicContact CB-CE1 4.02Å; L341-Y511 HydrophobicContact CB-CE2 4.2Å; L341-Y511 HydrophobicContact CB-CG 3.59Å; L341-Y511 HydrophobicContact CD1-CD1 4.05Å; L341-Y511 HydrophobicContact CD1-CG 4.18Å; L341-Y511 HydrophobicContact CD2-CD1 4.25Å; L341-Y511 HydrophobicContact CD2-CE1 4.41Å; L341-Y511 HydrophobicContact CG-CD1 4.2Å; L341-Y511 HydrophobicContact CG-CG 4.42Å; L341-L514 HydrophobicContact CD1-CD2 3.86Å; L341-L514 HydrophobicContact CD2-CD2 4.27Å
342	S	98.1	Very high	98.2	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-34.6	178	-63.8	0	0	0	0	113	V338 S339 G344 W407	V338-S342 WeakPolarHBondContact O-CB 3.3Å; V338-S342 PolarHBondContact O-N 2.85Å; V338-S342 PolarHBondContact O-OG 3.34Å; V338-S342 VanDerWaalsContact O-OG 3.12Å; S339-S342 PolarHBondContact O-N 2.87Å; S342-G344 PolarHBondContact O-N 3.25Å; S342-W407 VanDerWaalsContact CB-CZ2 3.48Å
343	A	97.5	Very high	98.2	Very high	31 Å²	31	40.5 Å²	40.5	26%	0.256	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.1	175.7	0	0	0	0	0	113.7	S339 L341 V345 M399	S339-A343 WeakPolarHBondContact O-CB 3.43Å; S339-A343 PolarHBondContact O-N 3.03Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 2.82Å; A343-V345 HydrophobicContact CB-CG2 4.14Å; A343-V345 PolarHBondContact O-N 2.82Å; A343-M399 HydrophobicContact CB-CE 4.15Å; A343-M399 HydrophobicContact CB-SD 3.7Å
344	G	97.4	Very high	98.1	Very high	63 Å²	63	40.5 Å²	40.5	65%	0.649	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	15.7	-178.6	0	0	0	0	0	114.6	A340 L341 S342	A340-G344 PolarHBondContact O-N 3.25Å; L341-G344 PolarHBondContact O-N 2.85Å; S342-G344 PolarHBondContact O-N 3.25Å
345	V	97.5	Very high	98.1	Very high	32 Å²	32	42.5 Å²	42.5	19%	0.194	24%	0.24	C	C	.	.	S	Bend	trans	-77.8	-31.3	-179.7	171.4	0	0	0	0	111.3	A340 A343 D398 M399	A340-V345 PolarHBondContact O-N 3.06Å; A343-V345 HydrophobicContact CB-CG2 4.14Å; A343-V345 PolarHBondContact O-N 2.82Å; V345-D398 HydrophobicContact CG1-CB 3.31Å; V345-M399 HydrophobicContact CB-CG 4.47Å; V345-M399 HydrophobicContact CB-SD 4.05Å; V345-M399 HydrophobicContact CG1-CG 4.32Å; V345-M399 HydrophobicContact CG2-CG 4.29Å; V345-M399 HydrophobicContact CG2-SD 3.61Å
346	I	98.4	Very high	98	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	24%	0.242	C	C	.	.			trans	-130.7	161.9	171.3	64.9	176.5	0	0	0	110.2	A340 L341 T350 V380 F391 V395	A340-I346 HydrophobicContact CB-CD1 3.77Å; A340-I346 HydrophobicContact CB-CG1 3.73Å; A340-I346 PolarHBondContact O-N 2.77Å; L341-I346 HydrophobicContact CD2-CD1 4.36Å; L341-I346 HydrophobicContact CD2-CG1 3.94Å; L341-I346 HydrophobicContact CG-CD1 4.16Å; L341-I346 HydrophobicContact CG-CG1 3.97Å; I346-T350 HydrophobicContact CB-CG2 4.31Å; I346-T350 HydrophobicContact CG2-CG2 4.15Å; I346-V380 HydrophobicContact CD1-CB 4.16Å; I346-V380 HydrophobicContact CD1-CG2 3.97Å; I346-F391 HydrophobicContact CD1-CE1 3.9Å; I346-F391 HydrophobicContact CD1-CZ 4.05Å; I346-F391 HydrophobicContact CG2-CZ 4.41Å; I346-V395 HydrophobicContact CD1-CG2 4.3Å; I346-V395 HydrophobicContact CG2-CG2 3.88Å
347	T	98.2	Very high	97.9	Very high	77 Å²	77	46.8 Å²	46.8	47%	0.472	26%	0.258	S	S	.	.			trans	-117.7	169.1	167.9	69.5	0	0	0	0	109	N349 T350	T347-N349 PolarHBondContact O-N 3.2Å; T347-N349 VanDerWaalsContact O-N 3.08Å; T347-N349 PolarHBondContact OG1-N 2.85Å; T347-T350 PolarHBondContact N-OG1 3.48Å; T347-T350 WeakPolarHBondContact O-CB 3.49Å; T347-T350 PolarHBondContact O-N 2.83Å; T347-T350 VanDerWaalsContact O-N 3.11Å; T347-T350 PolarHBondContact O-OG1 3.12Å; T347-T350 PolarHBondContact OG1-N 2.86Å; T347-T350 PolarHBondContact OG1-OG1 3.41Å; T347-T350 VanDerWaalsContact OG1-OG1 3.07Å
348	R	97.2	Very high	97.9	Very high	166 Å²	166	47.8 Å²	47.8	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.5	171.8	73.9	-177.8	-64.8	154.8	4	113.5	L514	R348-L514 HydrophobicContact CB-CD2 3.71Å
349	N	97.5	Very high	97.9	Very high	123 Å²	123	50.5 Å²	50.5	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.5	-177.8	-62.7	95	0	0	0	113.2	T347 T351	T347-N349 PolarHBondContact O-N 3.2Å; T347-N349 VanDerWaalsContact O-N 3.08Å; T347-N349 PolarHBondContact OG1-N 2.85Å; N349-T351 PolarHBondContact O-N 3.21Å
350	T	98.2	Very high	97.8	Very high	47 Å²	47	51.2 Å²	51.2	29%	0.288	28%	0.278	S	S	.	.			trans	-60.1	127	175.4	-64.5	0	0	0	0	108.8	I346 T347 N379	I346-T350 HydrophobicContact CB-CG2 4.31Å; I346-T350 HydrophobicContact CG2-CG2 4.15Å; T347-T350 PolarHBondContact N-OG1 3.48Å; T347-T350 WeakPolarHBondContact O-CB 3.49Å; T347-T350 PolarHBondContact O-N 2.83Å; T347-T350 VanDerWaalsContact O-N 3.11Å; T347-T350 PolarHBondContact O-OG1 3.12Å; T347-T350 PolarHBondContact OG1-N 2.86Å; T347-T350 PolarHBondContact OG1-OG1 3.41Å; T347-T350 VanDerWaalsContact OG1-OG1 3.07Å; T350-N379 WeakPolarHBondContact O-CA 3.32Å
351	T	97.7	Very high	97.8	Very high	75 Å²	75	54.2 Å²	54.2	46%	0.46	30%	0.298	S	S	.	.			trans	-131	149.8	178.3	58.3	0	0	0	0	112	N349 R377 L378 N379	N349-T351 PolarHBondContact O-N 3.21Å; T351-R377 HydrophobicContact CG2-CG 4.31Å; T351-L378 WeakPolarHBondContact CA-O 3.32Å; T351-L378 WeakPolarHBondContact CB-O 3.29Å; T351-N379 HydrophobicContact CG2-CB 4.04Å
352	L	97.4	Very high	97.7	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.178	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.4	168.8	57.6	86	0	0	0	110	D354 R377 L378 T390 F391 Q394	L352-D354 HydrophobicContact CD1-CB 4.34Å; L352-R377 WeakPolarHBondContact O-CA 3.5Å; L352-L378 HydrophobicContact CD1-CB 4.41Å; L352-L378 HydrophobicContact CD1-CD1 4.41Å; L352-L378 PolarHBondContact N-O 3Å; L352-L378 VanDerWaalsContact N-O 3.09Å; L352-L378 PolarHBondContact O-N 3.36Å; L352-T390 HydrophobicContact CD1-CG2 3.88Å; L352-F391 HydrophobicContact CD1-CD2 4.48Å; L352-F391 HydrophobicContact CD2-CD2 3.82Å; L352-F391 HydrophobicContact CD2-CE2 4.4Å; L352-F391 HydrophobicContact CD2-CG 4.4Å; L352-F391 HydrophobicContact CG-CD2 3.94Å; L352-Q394 HydrophobicContact CD2-CB 3.77Å; L352-Q394 HydrophobicContact CD2-CG 3.92Å
353	F	98.2	Very high	97.6	Very high	152 Å²	152	58.8 Å²	58.8	67%	0.667	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.7	171.3	-178.9	-96.9	0	0	0	108.9	P355	F353-P355 HydrophobicContact CE1-CB 4.19Å; F353-P355 WeakPolarHBondContact O-CD 3.22Å
354	D	98.1	Very high	97.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.7	177.3	165.6	38.1	0	0	0	110.9	L352 G356 G374 H375 G376 L378 T390	L352-D354 HydrophobicContact CD1-CB 4.34Å; D354-G356 VanDerWaalsContact C-N 3.32Å; D354-G356 WeakPolarHBondContact OD1-CA 3.29Å; D354-G356 PolarHBondContact OD1-N 3.43Å; D354-G374 WeakPolarHBondContact OD2-CA 3.41Å; D354-H375 IonicContact OD2-CD2 2.7Å; D354-H375 PolarHBondContact OD2-CD2 3.11Å; D354-H375 IonicContact OD2-CG 3.04Å; D354-H375 PolarHBondContact OD2-N 3.47Å; D354-G376 PolarHBondContact N-O 2.96Å; D354-G376 PolarHBondContact O-N 3.16Å; D354-L378 HydrophobicContact CB-CD1 3.64Å; D354-L378 HydrophobicContact CB-CG 4.36Å; D354-T390 HydrophobicContact CB-CG2 3.74Å; D354-T390 VanDerWaalsContact CG-CB 3.48Å; D354-T390 WeakPolarHBondContact OD1-CB 3.21Å; D354-T390 WeakPolarHBondContact OD1-CG2 3.39Å; D354-T390 PolarHBondContact OD1-OG1 2.7Å
355	P	97.5	Very high	97.4	Very high	41 Å²	41	67.2 Å²	67.2	27%	0.266	36%	0.36	S	S	.	.			trans	-87.6	9.1	175.7	37.2	-36.9	0	0	0	114	F353 W357	F353-P355 HydrophobicContact CE1-CB 4.19Å; F353-P355 WeakPolarHBondContact O-CD 3.22Å; P355-W357 WeakPolarHBondContact CD-O 3.41Å; P355-W357 HydrophobicContact CG-CD2 4.05Å; P355-W357 HydrophobicContact CG-CG 4.33Å; P355-W357 HydrophobicContact CG-CZ2 4.17Å; P355-W357 WeakPolarHBondContact CG-O 3.42Å
356	G	96.7	Very high	97.4	Very high	4 Å²	4	72.1 Å²	72.1	4%	0.041	38%	0.375	C	S	.	.	S	Bend	trans	94.6	7.2	-173.6	0	0	0	0	0	113.7	D354 D369 K371 G374	D354-G356 VanDerWaalsContact C-N 3.32Å; D354-G356 WeakPolarHBondContact OD1-CA 3.29Å; D354-G356 PolarHBondContact OD1-N 3.43Å; G356-D369 PolarHBondContact O-N 2.9Å; G356-K371 WeakPolarHBondContact CA-O 3.31Å; G356-G374 VanDerWaalsContact CA-N 3.34Å; G356-G374 VanDerWaalsContact N-CA 3.3Å
357	W	97.5	Very high	97.2	Very high	87 Å²	87	72.6 Å²	72.6	33%	0.33	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	159.9	176.5	53.5	-88.5	0	0	0	111.2	P355 Q359 R366 Y367	P355-W357 WeakPolarHBondContact CD-O 3.41Å; P355-W357 HydrophobicContact CG-CD2 4.05Å; P355-W357 HydrophobicContact CG-CG 4.33Å; P355-W357 HydrophobicContact CG-CZ2 4.17Å; P355-W357 WeakPolarHBondContact CG-O 3.42Å; W357-Q359 HydrophobicContact CE3-CB 4.11Å; W357-Q359 HydrophobicContact CZ3-CB 3.72Å; W357-R366 HydrophobicContact CD2-CG 4.49Å; W357-R366 HydrophobicContact CE3-CG 3.95Å; W357-R366 HydrophobicContact CZ3-CG 4.41Å; W357-Y367 CarbonylContact C-O 3.57Å; W357-Y367 WeakPolarHBondContact CA-O 3.39Å; W357-Y367 WeakPolarHBondContact CB-O 3.28Å
358	W	98.3	Very high	97.1	Very high	21 Å²	21	75.2 Å²	75.2	8%	0.08	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.7	171.6	-174.5	88.6	0	0	0	109.8	L360 P361 R366 Y367 T390 Y393 Y397 I449	W358-L360 HydrophobicContact CH2-CB 4.36Å; W358-L360 HydrophobicContact CH2-CD1 3.95Å; W358-L360 HydrophobicContact CZ3-CB 3.89Å; W358-L360 HydrophobicContact CZ3-CD1 4.07Å; W358-P361 VanDerWaalsContact CH2-CD 3.43Å; W358-P361 HydrophobicContact CZ2-CG 4.36Å; W358-R366 CarbonylContact O-C 3.3Å; W358-R366 WeakPolarHBondContact O-CA 3.42Å; W358-Y367 HydrophobicContact CE3-CD2 4.05Å; W358-Y367 HydrophobicContact CZ3-CD2 4.31Å; W358-Y367 PolarHBondContact N-O 3.31Å; W358-Y367 PolarHBondContact O-N 3.46Å; W358-T390 HydrophobicContact CB-CG2 4.14Å; W358-Y393 HydrophobicContact CB-CD2 3.8Å; W358-Y393 HydrophobicContact CB-CG 4.37Å; W358-Y397 AromaticContact CH2-CD2 3.67Å; W358-Y397 HydrophobicContact CH2-CD2 3.67Å; W358-Y397 HydrophobicContact CH2-CE2 4.48Å; W358-Y397 AromaticContact CH2-CG 3.76Å; W358-Y397 HydrophobicContact CH2-CG 3.76Å; W358-Y397 HydrophobicContact CZ2-CD1 4.33Å; W358-Y397 HydrophobicContact CZ2-CD2 4.14Å; W358-Y397 AromaticContact CZ2-CG 3.82Å; W358-Y397 HydrophobicContact CZ2-CG 3.82Å; W358-I449 HydrophobicContact CE3-CG2 4.09Å; W358-I449 HydrophobicContact CH2-CD1 3.74Å; W358-I449 HydrophobicContact CH2-CG1 4.46Å; W358-I449 HydrophobicContact CZ3-CD1 3.63Å; W358-I449 HydrophobicContact CZ3-CG1 3.88Å; W358-I449 HydrophobicContact CZ3-CG2 4.01Å
359	Q	98.1	Very high	97	Very high	56 Å²	56	67.8 Å²	67.8	26%	0.262	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	-179.6	-176.6	166.4	-36.5	0	0	110.4	W357 P361 S363 R366	W357-Q359 HydrophobicContact CE3-CB 4.11Å; W357-Q359 HydrophobicContact CZ3-CB 3.72Å; Q359-P361 WeakPolarHBondContact O-CD 3.45Å; Q359-S363 VanDerWaalsContact CG-O 3.27Å; Q359-S363 WeakPolarHBondContact CG-O 3.31Å; Q359-S363 PolarHBondContact NE2-O 2.76Å; Q359-R366 HydrophobicContact CB-CG 4.07Å; Q359-R366 HydrophobicContact CG-CG 4.18Å
360	L	97.9	Very high	96.8	Very high	16 Å²	16	69 Å²	69	8%	0.084	35%	0.346	C	S	.	.			trans	-63.8	122.5	177.2	177	68.2	0	0	0	110	W358 G362 S363 K365 Y367 Y397 Q445 I449	W358-L360 HydrophobicContact CH2-CB 4.36Å; W358-L360 HydrophobicContact CH2-CD1 3.95Å; W358-L360 HydrophobicContact CZ3-CB 3.89Å; W358-L360 HydrophobicContact CZ3-CD1 4.07Å; L360-G362 PolarHBondContact O-N 3.18Å; L360-S363 WeakPolarHBondContact O-CB 3.47Å; L360-S363 PolarHBondContact O-N 3.15Å; L360-K365 PolarHBondContact N-O 3.46Å; L360-K365 VanDerWaalsContact N-O 3.07Å; L360-Y367 HydrophobicContact CB-CE2 4.24Å; L360-Y397 HydrophobicContact CD1-CD2 3.89Å; L360-Y397 HydrophobicContact CD1-CE2 4.06Å; L360-Q445 HydrophobicContact CD1-CB 4.47Å; L360-Q445 HydrophobicContact CD1-CG 4.1Å; L360-I449 HydrophobicContact CD1-CD1 4.2Å; L360-I449 HydrophobicContact CD1-CG1 4.29Å
361	P	97.6	Very high	96.5	Very high	62 Å²	62	70.3 Å²	70.3	40%	0.403	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	133.5	177.8	-31.1	38.2	0	0	0	112.4	W358 Q359 S363 Y397	W358-P361 VanDerWaalsContact CH2-CD 3.43Å; W358-P361 HydrophobicContact CZ2-CG 4.36Å; Q359-P361 WeakPolarHBondContact O-CD 3.45Å; P361-S363 VanDerWaalsContact C-N 3.27Å; P361-S363 PolarHBondContact O-N 3.07Å; P361-Y397 HydrophobicContact CB-CE2 4.23Å; P361-Y397 HydrophobicContact CG-CD2 4.46Å; P361-Y397 HydrophobicContact CG-CE1 4.14Å; P361-Y397 HydrophobicContact CG-CE2 3.77Å
362	G	96.7	Very high	96.2	Very high	96 Å²	96	74.1 Å²	74.1	99%	0.99	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	15.1	-176.2	0	0	0	0	0	114.9	L360	L360-G362 PolarHBondContact O-N 3.18Å
363	S	96.5	Very high	96.1	Very high	42 Å²	42	82.3 Å²	82.3	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-142.4	151.7	179	-174.1	0	0	0	0	112	Q359 L360 P361 K365	Q359-S363 VanDerWaalsContact CG-O 3.27Å; Q359-S363 WeakPolarHBondContact CG-O 3.31Å; Q359-S363 PolarHBondContact NE2-O 2.76Å; L360-S363 WeakPolarHBondContact O-CB 3.47Å; L360-S363 PolarHBondContact O-N 3.15Å; P361-S363 VanDerWaalsContact C-N 3.27Å; P361-S363 PolarHBondContact O-N 3.07Å; S363-K365 PolarHBondContact O-N 3.48Å; S363-K365 WeakPolarHBondContact OG-CB 3.25Å; S363-K365 PolarHBondContact OG-N 2.89Å
364	E	95.4	Very high	96	Very high	160 Å²	160	75.4 Å²	75.4	75%	0.748	36%	0.358	S	S	*	.			trans	-79.5	-2.6	170.5	-63.4	-53.1	126.9	0	0	112.9	R366	E364-R366 PolarHBondContact O-N 2.85Å
365	K	95.3	Very high	96	Very high	111 Å²	111	75.7 Å²	75.7	48%	0.483	36%	0.36	S	S	.	.			trans	-73.3	115.2	-176.6	-168.7	172.3	-179	-177.8	0	111	L360 S363 Y367	L360-K365 PolarHBondContact N-O 3.46Å; L360-K365 VanDerWaalsContact N-O 3.07Å; S363-K365 PolarHBondContact O-N 3.48Å; S363-K365 WeakPolarHBondContact OG-CB 3.25Å; S363-K365 PolarHBondContact OG-N 2.89Å; K365-Y367 HydrophobicContact CB-CE2 4.49Å; K365-Y367 HydrophobicContact CD-CE2 4.1Å; K365-Y367 WeakPolarHBondContact CD-OH 3.21Å; K365-Y367 WeakPolarHBondContact CE-OH 3.38Å; K365-Y367 HydrophobicContact CG-CE2 3.9Å; K365-Y367 PolarHBondContact NZ-OH 3.37Å
366	R	96.3	Very high	96	Very high	135 Å²	135	74.7 Å²	74.7	51%	0.509	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.6	173.7	-67	-176.8	179.5	174.4	2.4	112.1	W357 W358 Q359 E364	W357-R366 HydrophobicContact CD2-CG 4.49Å; W357-R366 HydrophobicContact CE3-CG 3.95Å; W357-R366 HydrophobicContact CZ3-CG 4.41Å; W358-R366 CarbonylContact O-C 3.3Å; W358-R366 WeakPolarHBondContact O-CA 3.42Å; Q359-R366 HydrophobicContact CB-CG 4.07Å; Q359-R366 HydrophobicContact CG-CG 4.18Å; E364-R366 PolarHBondContact O-N 2.85Å
367	Y	96.2	Very high	96.1	Very high	20 Å²	20	83 Å²	83	8%	0.078	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.6	173.8	-64.1	-99.9	0	0	0	107.3	W357 W358 L360 K365 G446 I449 P450	W357-Y367 CarbonylContact C-O 3.57Å; W357-Y367 WeakPolarHBondContact CA-O 3.39Å; W357-Y367 WeakPolarHBondContact CB-O 3.28Å; W358-Y367 HydrophobicContact CE3-CD2 4.05Å; W358-Y367 HydrophobicContact CZ3-CD2 4.31Å; W358-Y367 PolarHBondContact N-O 3.31Å; W358-Y367 PolarHBondContact O-N 3.46Å; L360-Y367 HydrophobicContact CB-CE2 4.24Å; K365-Y367 HydrophobicContact CB-CE2 4.49Å; K365-Y367 HydrophobicContact CD-CE2 4.1Å; K365-Y367 WeakPolarHBondContact CD-OH 3.21Å; K365-Y367 WeakPolarHBondContact CE-OH 3.38Å; K365-Y367 HydrophobicContact CG-CE2 3.9Å; K365-Y367 PolarHBondContact NZ-OH 3.37Å; Y367-G446 WeakPolarHBondContact OH-CA 3.41Å; Y367-G446 PolarHBondContact OH-O 3.01Å; Y367-I449 HydrophobicContact CD1-CB 4.03Å; Y367-I449 HydrophobicContact CD1-CG2 3.62Å; Y367-I449 HydrophobicContact CD2-CB 4.37Å; Y367-I449 HydrophobicContact CD2-CG2 3.79Å; Y367-I449 HydrophobicContact CE1-CB 3.66Å; Y367-I449 HydrophobicContact CE1-CG1 4.39Å; Y367-I449 HydrophobicContact CE1-CG2 3.81Å; Y367-I449 HydrophobicContact CE2-CB 4.06Å; Y367-I449 HydrophobicContact CE2-CG1 4Å; Y367-I449 HydrophobicContact CE2-CG2 4Å; Y367-I449 HydrophobicContact CG-CB 4.37Å; Y367-I449 HydrophobicContact CG-CG2 3.61Å; Y367-P450 HydrophobicContact CE1-CG 3.96Å
368	R	95.1	Very high	96.1	Very high	131 Å²	131	78.9 Å²	78.9	49%	0.494	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.5	-175	-63.3	-165.3	-56.2	-172.1	0.6	111.3	Y393 A555 E557	R368-Y393 WeakPolarHBondContact O-CE2 3.19Å; R368-Y393 PolarHBondContact O-OH 2.99Å; R368-A555 PolarHBondContact NH1-O 2.89Å; R368-A555 VanDerWaalsContact NH1-O 3.14Å; R368-E557 PolarHBondContact NH2-O 3.47Å
369	D	95.3	Very high	96.1	Very high	10 Å²	10	80.3 Å²	80.3	5%	0.053	38%	0.381	C	S	.	.			trans	-81	155.6	162.7	-158.8	-76	0	0	0	110.2	G356 K371 H375 D389 T390	G356-D369 PolarHBondContact O-N 2.9Å; D369-K371 PolarHBondContact O-N 2.9Å; D369-K371 PolarHBondContact OD1-N 3.28Å; D369-H375 IonicContact OD1-CD2 3.53Å; D369-H375 PolarHBondContact OD1-CD2 2.99Å; D369-H375 IonicContact OD1-NE2 2.66Å; D369-H375 PolarHBondContact OD1-NE2 3.19Å; D369-H375 VanDerWaalsContact OD1-NE2 3.11Å; D369-H375 IonicContact OD2-CD2 3.42Å; D369-D389 WeakPolarHBondContact OD2-CA 3.44Å; D369-D389 PolarHBondContact OD2-N 3.33Å; D369-T390 PolarHBondContact OD2-N 2.92Å
370	W	92.9	Very high	96.1	Very high	148 Å²	148	77.7 Å²	77.7	56%	0.561	37%	0.368	S	S	*	.	S	Bend	trans	-63.8	-28.9	171.3	75.3	-90.1	0	0	0	112.1	H375 E386 S387 D389 T529	W370-H375 AromaticContact CE2-CE1 3.75Å; W370-H375 AromaticContact CE2-NE2 3.77Å; W370-H375 AromaticContact CZ2-CE1 3.6Å; W370-H375 AromaticContact NE1-CE1 3.66Å; W370-H375 AromaticContact NE1-NE2 3.38Å; W370-H375 PolarHBondContact NE1-NE2 2.93Å; W370-E386 VanDerWaalsContact CZ2-O 3.25Å; W370-E386 WeakPolarHBondContact CZ2-O 3.31Å; W370-E386 PolarHBondContact NE1-O 2.9Å; W370-S387 PolarHBondContact NE1-O 2.77Å; W370-D389 PolarHBondContact N-OD2 3.4Å; W370-D389 VanDerWaalsContact N-OD2 3.12Å; W370-T529 HydrophobicContact CZ2-CG2 4.25Å
371	K	92.1	Very high	96.2	Very high	76 Å²	76	77.9 Å²	77.9	33%	0.33	37%	0.37	S	S	.	.	S	Bend	trans	-88.2	108.9	174.6	-164.3	167.7	-179.3	-177	0	110	G356 D369 W373 G374 H375 E386	G356-K371 WeakPolarHBondContact CA-O 3.31Å; D369-K371 PolarHBondContact O-N 2.9Å; D369-K371 PolarHBondContact OD1-N 3.28Å; K371-W373 PolarHBondContact O-N 2.77Å; K371-G374 VanDerWaalsContact CD-O 3.23Å; K371-G374 WeakPolarHBondContact CD-O 3.41Å; K371-G374 WeakPolarHBondContact CE-O 3.36Å; K371-G374 PolarHBondContact O-N 2.96Å; K371-H375 WeakPolarHBondContact CB-NE2 3.13Å; K371-E386 IonicContact NZ-OE2 3.9Å
372	K	92.1	Very high	96.2	Very high	155 Å²	155	78.7 Å²	78.7	67%	0.674	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-37.7	-172.9	-177.1	175.4	179.2	177.7	0	115.2
373	W	95.5	Very high	96.3	Very high	205 Å²	205	74.1 Å²	74.1	78%	0.777	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	14.6	-177.6	-55.1	119.3	0	0	0	113	K371	K371-W373 PolarHBondContact O-N 2.77Å
374	G	96	Very high	96.4	Very high	7 Å²	7	72.1 Å²	72.1	7%	0.072	30%	0.304	C	S	.	.			trans	71.2	-179.6	179.3	0	0	0	0	0	115.2	D354 G356 K371	D354-G374 WeakPolarHBondContact OD2-CA 3.41Å; G356-G374 VanDerWaalsContact CA-N 3.34Å; G356-G374 VanDerWaalsContact N-CA 3.3Å; K371-G374 VanDerWaalsContact CD-O 3.23Å; K371-G374 WeakPolarHBondContact CD-O 3.41Å; K371-G374 WeakPolarHBondContact CE-O 3.36Å; K371-G374 PolarHBondContact O-N 2.96Å
375	H	97.6	Very high	96.5	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.028	27%	0.273	C	S	.	.			trans	-100.9	-1.2	-177.9	-64.2	-94.8	0	0	0	112.7	D354 D369 W370 K371 L378 R382 E386	D354-H375 IonicContact OD2-CD2 2.7Å; D354-H375 PolarHBondContact OD2-CD2 3.11Å; D354-H375 IonicContact OD2-CG 3.04Å; D354-H375 PolarHBondContact OD2-N 3.47Å; D369-H375 IonicContact OD1-CD2 3.53Å; D369-H375 PolarHBondContact OD1-CD2 2.99Å; D369-H375 IonicContact OD1-NE2 2.66Å; D369-H375 PolarHBondContact OD1-NE2 3.19Å; D369-H375 VanDerWaalsContact OD1-NE2 3.11Å; D369-H375 IonicContact OD2-CD2 3.42Å; W370-H375 AromaticContact CE2-CE1 3.75Å; W370-H375 AromaticContact CE2-NE2 3.77Å; W370-H375 AromaticContact CZ2-CE1 3.6Å; W370-H375 AromaticContact NE1-CE1 3.66Å; W370-H375 AromaticContact NE1-NE2 3.38Å; W370-H375 PolarHBondContact NE1-NE2 2.93Å; K371-H375 WeakPolarHBondContact CB-NE2 3.13Å; H375-L378 HydrophobicContact CB-CD1 3.95Å; H375-L378 HydrophobicContact CB-CD2 3.54Å; H375-L378 HydrophobicContact CB-CG 3.8Å; H375-R382 VanDerWaalsContact O-CZ 3.24Å; H375-R382 PolarHBondContact O-NH1 3.3Å; H375-R382 PolarHBondContact O-NH2 3.31Å; H375-R382 VanDerWaalsContact O-NH2 3.12Å; H375-E386 VanDerWaalsContact CE1-CB 3.49Å; H375-E386 WeakPolarHBondContact CE1-CB 3.3Å; H375-E386 PolarHBondContact CE1-O 2.61Å; H375-E386 IonicContact CE1-OE2 3.57Å; H375-E386 IonicContact CG-OE2 3.96Å; H375-E386 WeakPolarHBondContact ND1-CB 3.29Å; H375-E386 IonicContact ND1-OE2 2.57Å; H375-E386 PolarHBondContact ND1-OE2 2.86Å
376	G	97.6	Very high	96.7	Very high	20 Å²	20	60.7 Å²	60.7	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.1	-134.6	-173.1	0	0	0	0	0	110.7	D354 L378	D354-G376 PolarHBondContact N-O 2.96Å; D354-G376 PolarHBondContact O-N 3.16Å; G376-L378 PolarHBondContact O-N 2.93Å
377	R	98.1	Very high	96.7	Very high	180 Å²	180	54.7 Å²	54.7	68%	0.679	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.9	179.3	-167.4	175.6	-66.3	-160.9	-0.2	111.1	T351 L352 R382	T351-R377 HydrophobicContact CG2-CG 4.31Å; L352-R377 WeakPolarHBondContact O-CA 3.5Å; R377-R382 PolarHBondContact O-NH1 3.02Å
378	L	98.4	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.7	-178.4	-75.6	175	0	0	0	110.9	T351 L352 D354 H375 G376 R382 A388 F391	T351-L378 WeakPolarHBondContact CA-O 3.32Å; T351-L378 WeakPolarHBondContact CB-O 3.29Å; L352-L378 HydrophobicContact CD1-CB 4.41Å; L352-L378 HydrophobicContact CD1-CD1 4.41Å; L352-L378 PolarHBondContact N-O 3Å; L352-L378 VanDerWaalsContact N-O 3.09Å; L352-L378 PolarHBondContact O-N 3.36Å; D354-L378 HydrophobicContact CB-CD1 3.64Å; D354-L378 HydrophobicContact CB-CG 4.36Å; H375-L378 HydrophobicContact CB-CD1 3.95Å; H375-L378 HydrophobicContact CB-CD2 3.54Å; H375-L378 HydrophobicContact CB-CG 3.8Å; G376-L378 PolarHBondContact O-N 2.93Å; L378-R382 HydrophobicContact CD2-CB 4.22Å; L378-R382 HydrophobicContact CD2-CG 3.96Å; L378-A388 HydrophobicContact CD1-CB 3.39Å; L378-A388 HydrophobicContact CD2-CB 4.01Å; L378-A388 HydrophobicContact CG-CB 4.35Å; L378-F391 HydrophobicContact CB-CD2 4.18Å; L378-F391 HydrophobicContact CD1-CB 4.17Å
379	N	98.2	Very high	97	Very high	51 Å²	51	48.1 Å²	48.1	27%	0.273	21%	0.207	S	C	.	.			trans	-107.3	179.7	155.8	66.9	-1.3	0	0	0	109.2	T350 T351 T381 R382 S383	T350-N379 WeakPolarHBondContact O-CA 3.32Å; T351-N379 HydrophobicContact CG2-CB 4.04Å; N379-T381 PolarHBondContact O-N 3.04Å; N379-T381 PolarHBondContact OD1-N 3.29Å; N379-R382 PolarHBondContact O-N 3.08Å; N379-R382 VanDerWaalsContact OD1-CB 3.27Å; N379-R382 WeakPolarHBondContact OD1-CB 3.43Å; N379-R382 PolarHBondContact OD1-N 2.92Å; N379-S383 VanDerWaalsContact O-CB 3.27Å; N379-S383 WeakPolarHBondContact O-CB 3.28Å; N379-S383 PolarHBondContact O-N 3.18Å; N379-S383 PolarHBondContact O-OG 3.17Å
380	V	98.3	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-41.9	-179	66.7	0	0	0	0	113	A337 I346 S383 L384 F391 L514	A337-V380 HydrophobicContact CB-CG2 3.58Å; I346-V380 HydrophobicContact CD1-CB 4.16Å; I346-V380 HydrophobicContact CD1-CG2 3.97Å; V380-S383 PolarHBondContact O-N 2.83Å; V380-L384 HydrophobicContact CG2-CD1 4.43Å; V380-L384 WeakPolarHBondContact O-CG 3.47Å; V380-L384 PolarHBondContact O-N 2.92Å; V380-F391 HydrophobicContact CB-CE1 3.97Å; V380-F391 HydrophobicContact CB-CZ 3.89Å; V380-F391 HydrophobicContact CG2-CE1 4.12Å; V380-L514 HydrophobicContact CG1-CD2 3.68Å; V380-L514 HydrophobicContact CG1-CG 4.16Å
381	T	98.3	Very high	97.4	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-53.6	178.9	-54	0	0	0	0	111.5	N379 S383 L384 E385 L514	N379-T381 PolarHBondContact O-N 3.04Å; N379-T381 PolarHBondContact OD1-N 3.29Å; T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.39Å; T381-L384 WeakPolarHBondContact O-CB 3.32Å; T381-L384 PolarHBondContact O-N 2.93Å; T381-L384 VanDerWaalsContact O-N 3.11Å; T381-E385 WeakPolarHBondContact O-CG 3.41Å; T381-E385 PolarHBondContact O-N 2.9Å; T381-L514 WeakPolarHBondContact OG1-CD1 3.32Å
382	R	98.2	Very high	97.7	Very high	80 Å²	80	37.2 Å²	37.2	30%	0.302	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-33	179.4	-167.7	175.3	-178.3	-147.2	-6.9	112.2	H375 R377 L378 N379 L384 E385 E386	H375-R382 VanDerWaalsContact O-CZ 3.24Å; H375-R382 PolarHBondContact O-NH1 3.3Å; H375-R382 PolarHBondContact O-NH2 3.31Å; H375-R382 VanDerWaalsContact O-NH2 3.12Å; R377-R382 PolarHBondContact O-NH1 3.02Å; L378-R382 HydrophobicContact CD2-CB 4.22Å; L378-R382 HydrophobicContact CD2-CG 3.96Å; N379-R382 PolarHBondContact O-N 3.08Å; N379-R382 VanDerWaalsContact OD1-CB 3.27Å; N379-R382 WeakPolarHBondContact OD1-CB 3.43Å; N379-R382 PolarHBondContact OD1-N 2.92Å; R382-L384 VanDerWaalsContact C-N 3.32Å; R382-E385 PolarHBondContact O-N 3.5Å; R382-E386 HydrophobicContact CG-CG 4.36Å; R382-E386 IonicContact CZ-OE1 3.8Å; R382-E386 IonicContact NE-OE1 3.89Å; R382-E386 PolarHBondContact NE-OE1 2.71Å; R382-E386 IonicContact NH2-OE1 3.34Å; R382-E386 PolarHBondContact NH2-OE1 3.39Å; R382-E386 IonicContact NH2-OE2 2.82Å; R382-E386 PolarHBondContact O-N 2.96Å
383	S	98.6	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-33.6	175.5	-57.5	0	0	0	0	112.3	N379 V380 T381 S387 A388 F391	N379-S383 VanDerWaalsContact O-CB 3.27Å; N379-S383 WeakPolarHBondContact O-CB 3.28Å; N379-S383 PolarHBondContact O-N 3.18Å; N379-S383 PolarHBondContact O-OG 3.17Å; V380-S383 PolarHBondContact O-N 2.83Å; T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.39Å; S383-S387 CarbonylContact O-C 3.54Å; S383-S387 WeakPolarHBondContact O-CA 3.44Å; S383-S387 PolarHBondContact O-N 3.2Å; S383-A388 PolarHBondContact O-N 3.31Å; S383-F391 WeakPolarHBondContact OG-CB 3.2Å; S383-F391 WeakPolarHBondContact OG-CD2 3.39Å; S383-F391 WeakPolarHBondContact OG-CG 3.39Å
384	L	98.6	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.1	-50.4	172	-69.8	170.2	0	0	0	111.2	K333 P334 A337 V380 T381 R382 E386 S387 F392 A515 V522	K333-L384 HydrophobicContact CB-CD2 3.77Å; P334-L384 HydrophobicContact CB-CD2 4.45Å; P334-L384 HydrophobicContact CG-CD2 4.1Å; A337-L384 HydrophobicContact CB-CD1 4.26Å; A337-L384 HydrophobicContact CB-CD2 4.43Å; V380-L384 HydrophobicContact CG2-CD1 4.43Å; V380-L384 WeakPolarHBondContact O-CG 3.47Å; V380-L384 PolarHBondContact O-N 2.92Å; T381-L384 WeakPolarHBondContact O-CB 3.32Å; T381-L384 PolarHBondContact O-N 2.93Å; T381-L384 VanDerWaalsContact O-N 3.11Å; R382-L384 VanDerWaalsContact C-N 3.32Å; L384-E386 PolarHBondContact O-N 2.91Å; L384-S387 PolarHBondContact O-N 2.84Å; L384-S387 VanDerWaalsContact O-N 3.14Å; L384-F392 HydrophobicContact CD2-CE2 4.34Å; L384-F392 HydrophobicContact CD2-CZ 3.76Å; L384-F392 HydrophobicContact CG-CZ 4.29Å; L384-A515 HydrophobicContact CD1-CB 4.36Å; L384-V522 WeakPolarHBondContact O-CG2 3.46Å
385	E	98.5	Very high	98.3	Very high	18 Å²	18	23 Å²	23	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-51.6	-55.4	179.2	-73.5	170.5	177	0	0	113	T381 R382 S387 R525 N527 G528 T529	T381-E385 WeakPolarHBondContact O-CG 3.41Å; T381-E385 PolarHBondContact O-N 2.9Å; R382-E385 PolarHBondContact O-N 3.5Å; E385-S387 VanDerWaalsContact C-N 3.28Å; E385-R525 WeakPolarHBondContact OE1-CD 3.26Å; E385-R525 IonicContact OE1-CZ 2.93Å; E385-R525 IonicContact OE1-NE 2.84Å; E385-R525 IonicContact OE1-NH1 2.88Å; E385-R525 PolarHBondContact OE1-NH1 3.26Å; E385-N527 PolarHBondContact OE2-ND2 3.34Å; E385-G528 WeakPolarHBondContact O-CA 3.4Å; E385-T529 PolarHBondContact O-N 3.44Å; E385-T529 VanDerWaalsContact O-N 3.12Å
386	E	98.3	Very high	98.3	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.061	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.8	-177.1	-55	-171.7	-152.9	0	0	111.6	W370 K371 H375 R382 L384 A388 N527	W370-E386 VanDerWaalsContact CZ2-O 3.25Å; W370-E386 WeakPolarHBondContact CZ2-O 3.31Å; W370-E386 PolarHBondContact NE1-O 2.9Å; K371-E386 IonicContact NZ-OE2 3.9Å; H375-E386 VanDerWaalsContact CE1-CB 3.49Å; H375-E386 WeakPolarHBondContact CE1-CB 3.3Å; H375-E386 PolarHBondContact CE1-O 2.61Å; H375-E386 IonicContact CE1-OE2 3.57Å; H375-E386 IonicContact CG-OE2 3.96Å; H375-E386 WeakPolarHBondContact ND1-CB 3.29Å; H375-E386 IonicContact ND1-OE2 2.57Å; H375-E386 PolarHBondContact ND1-OE2 2.86Å; R382-E386 HydrophobicContact CG-CG 4.36Å; R382-E386 IonicContact CZ-OE1 3.8Å; R382-E386 IonicContact NE-OE1 3.89Å; R382-E386 PolarHBondContact NE-OE1 2.71Å; R382-E386 IonicContact NH2-OE1 3.34Å; R382-E386 PolarHBondContact NH2-OE1 3.39Å; R382-E386 IonicContact NH2-OE2 2.82Å; R382-E386 PolarHBondContact O-N 2.96Å; L384-E386 PolarHBondContact O-N 2.91Å; E386-A388 PolarHBondContact O-N 3.47Å; E386-N527 HydrophobicContact CG-CB 4.08Å; E386-N527 WeakPolarHBondContact CG-ND2 3.39Å; E386-N527 PolarHBondContact OE1-ND2 3Å; E386-N527 VanDerWaalsContact OE1-ND2 3.12Å
387	S	97.6	Very high	98.4	Very high	8 Å²	8	24.8 Å²	24.8	6%	0.056	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	40.2	-179	-169.2	0	0	0	0	113	S330 K333 W370 S383 L384 E385 D389 K544	S330-S387 WeakPolarHBondContact CB-OG 3.43Å; S330-S387 PolarHBondContact OG-OG 3.23Å; K333-S387 PolarHBondContact NZ-O 3.11Å; K333-S387 PolarHBondContact NZ-OG 3.22Å; W370-S387 PolarHBondContact NE1-O 2.77Å; S383-S387 CarbonylContact O-C 3.54Å; S383-S387 WeakPolarHBondContact O-CA 3.44Å; S383-S387 PolarHBondContact O-N 3.2Å; L384-S387 PolarHBondContact O-N 2.84Å; L384-S387 VanDerWaalsContact O-N 3.14Å; E385-S387 VanDerWaalsContact C-N 3.28Å; S387-D389 PolarHBondContact O-N 2.75Å; S387-K544 VanDerWaalsContact CB-NZ 3.3Å; S387-K544 PolarHBondContact OG-NZ 2.81Å
388	A	98.2	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.			trans	-61.2	135.5	-179.1	0	0	0	0	0	110.7	K333 L378 S383 E386 F392	K333-A388 WeakPolarHBondContact CE-O 3.2Å; K333-A388 PolarHBondContact NZ-O 3.48Å; L378-A388 HydrophobicContact CD1-CB 3.39Å; L378-A388 HydrophobicContact CD2-CB 4.01Å; L378-A388 HydrophobicContact CG-CB 4.35Å; S383-A388 PolarHBondContact O-N 3.31Å; E386-A388 PolarHBondContact O-N 3.47Å; A388-F392 VanDerWaalsContact O-CD2 3.3Å; A388-F392 WeakPolarHBondContact O-CD2 3.31Å
389	D	98.1	Very high	98.4	Very high	14 Å²	14	19.4 Å²	19.4	8%	0.075	9%	0.091	C	C	.	.	S	Bend	trans	-87	-40.7	177.1	-60.5	-47	0	0	0	111	K333 D369 W370 S387 F391 F392 Y393 I453	K333-D389 IonicContact NZ-OD1 3.41Å; K333-D389 PolarHBondContact NZ-OD1 2.88Å; D369-D389 WeakPolarHBondContact OD2-CA 3.44Å; D369-D389 PolarHBondContact OD2-N 3.33Å; W370-D389 PolarHBondContact N-OD2 3.4Å; W370-D389 VanDerWaalsContact N-OD2 3.12Å; S387-D389 PolarHBondContact O-N 2.75Å; D389-F391 PolarHBondContact O-N 2.68Å; D389-F391 VanDerWaalsContact O-N 3.16Å; D389-F392 CarbonylContact O-C 3.54Å; D389-F392 PolarHBondContact O-N 3.04Å; D389-Y393 HydrophobicContact CB-CD2 4.35Å; D389-Y393 HydrophobicContact CB-CE1 4.28Å; D389-Y393 HydrophobicContact CB-CE2 3.64Å; D389-Y393 PolarHBondContact O-N 2.82Å; D389-I453 HydrophobicContact CB-CG2 4.01Å
390	T	98.3	Very high	98.4	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-52.9	-40.7	-177.3	-69.5	0	0	0	0	112.9	L352 D354 W358 D369 Y393 Q394	L352-T390 HydrophobicContact CD1-CG2 3.88Å; D354-T390 HydrophobicContact CB-CG2 3.74Å; D354-T390 VanDerWaalsContact CG-CB 3.48Å; D354-T390 WeakPolarHBondContact OD1-CB 3.21Å; D354-T390 WeakPolarHBondContact OD1-CG2 3.39Å; D354-T390 PolarHBondContact OD1-OG1 2.7Å; W358-T390 HydrophobicContact CB-CG2 4.14Å; D369-T390 PolarHBondContact OD2-N 2.92Å; T390-Y393 PolarHBondContact O-N 3.05Å; T390-Q394 PolarHBondContact O-N 2.88Å
391	F	98.7	Very high	98.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-43	177	-172.1	-86.6	0	0	0	112.3	I346 L352 L378 V380 S383 D389 Q394 V395	I346-F391 HydrophobicContact CD1-CE1 3.9Å; I346-F391 HydrophobicContact CD1-CZ 4.05Å; I346-F391 HydrophobicContact CG2-CZ 4.41Å; L352-F391 HydrophobicContact CD1-CD2 4.48Å; L352-F391 HydrophobicContact CD2-CD2 3.82Å; L352-F391 HydrophobicContact CD2-CE2 4.4Å; L352-F391 HydrophobicContact CD2-CG 4.4Å; L352-F391 HydrophobicContact CG-CD2 3.94Å; L378-F391 HydrophobicContact CB-CD2 4.18Å; L378-F391 HydrophobicContact CD1-CB 4.17Å; V380-F391 HydrophobicContact CB-CE1 3.97Å; V380-F391 HydrophobicContact CB-CZ 3.89Å; V380-F391 HydrophobicContact CG2-CE1 4.12Å; S383-F391 WeakPolarHBondContact OG-CB 3.2Å; S383-F391 WeakPolarHBondContact OG-CD2 3.39Å; S383-F391 WeakPolarHBondContact OG-CG 3.39Å; D389-F391 PolarHBondContact O-N 2.68Å; D389-F391 VanDerWaalsContact O-N 3.16Å; F391-Q394 PolarHBondContact O-N 3.33Å; F391-V395 HydrophobicContact CD1-CG2 3.85Å; F391-V395 HydrophobicContact CE1-CG2 3.62Å; F391-V395 HydrophobicContact CZ-CG2 4.43Å; F391-V395 WeakPolarHBondContact O-CG2 3.35Å; F391-V395 PolarHBondContact O-N 3.48Å
392	F	98.7	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-78.9	-21.6	-178.3	-73.1	-84.3	0	0	0	113.3	K333 V336 A337 L384 A388 D389 A396 G452 I453	K333-F392 HydrophobicContact CB-CD1 4.38Å; K333-F392 HydrophobicContact CB-CD2 4.27Å; K333-F392 HydrophobicContact CB-CE1 3.89Å; K333-F392 HydrophobicContact CB-CE2 3.76Å; K333-F392 HydrophobicContact CB-CZ 3.56Å; K333-F392 HydrophobicContact CD-CD2 3.64Å; K333-F392 HydrophobicContact CD-CE2 3.69Å; K333-F392 HydrophobicContact CD-CG 4.27Å; K333-F392 HydrophobicContact CD-CZ 4.38Å; K333-F392 HydrophobicContact CG-CD1 4.12Å; K333-F392 HydrophobicContact CG-CD2 3.73Å; K333-F392 HydrophobicContact CG-CE1 4.14Å; K333-F392 HydrophobicContact CG-CE2 3.73Å; K333-F392 HydrophobicContact CG-CG 3.92Å; K333-F392 HydrophobicContact CG-CZ 3.95Å; K333-F392 WeakPolarHBondContact O-CE1 3.31Å; K333-F392 WeakPolarHBondContact O-CZ 3.45Å; V336-F392 HydrophobicContact CB-CD1 4.12Å; V336-F392 HydrophobicContact CB-CE1 4.15Å; V336-F392 HydrophobicContact CG1-CD1 3.78Å; V336-F392 HydrophobicContact CG1-CE1 4.16Å; A337-F392 HydrophobicContact CB-CE1 4.08Å; A337-F392 HydrophobicContact CB-CZ 4.21Å; L384-F392 HydrophobicContact CD2-CE2 4.34Å; L384-F392 HydrophobicContact CD2-CZ 3.76Å; L384-F392 HydrophobicContact CG-CZ 4.29Å; A388-F392 VanDerWaalsContact O-CD2 3.3Å; A388-F392 WeakPolarHBondContact O-CD2 3.31Å; D389-F392 CarbonylContact O-C 3.54Å; D389-F392 PolarHBondContact O-N 3.04Å; F392-A396 VanDerWaalsContact O-CB 3.31Å; F392-A396 WeakPolarHBondContact O-CB 3.2Å; F392-A396 PolarHBondContact O-N 2.81Å; F392-G452 WeakPolarHBondContact CB-O 3.22Å; F392-I453 HydrophobicContact CB-CG2 3.88Å
393	Y	98.5	Very high	98.4	Very high	16 Å²	16	21.7 Å²	21.7	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-46.6	165.8	-63.4	-32.3	0	0	0	111.4	W358 R368 D389 T390 A396 Y397 I449 I453	W358-Y393 HydrophobicContact CB-CD2 3.8Å; W358-Y393 HydrophobicContact CB-CG 4.37Å; R368-Y393 WeakPolarHBondContact O-CE2 3.19Å; R368-Y393 PolarHBondContact O-OH 2.99Å; D389-Y393 HydrophobicContact CB-CD2 4.35Å; D389-Y393 HydrophobicContact CB-CE1 4.28Å; D389-Y393 HydrophobicContact CB-CE2 3.64Å; D389-Y393 PolarHBondContact O-N 2.82Å; T390-Y393 PolarHBondContact O-N 3.05Å; Y393-A396 PolarHBondContact O-N 2.98Å; Y393-Y397 PolarHBondContact O-N 3.07Å; Y393-I449 HydrophobicContact CD1-CG2 3.49Å; Y393-I449 VanDerWaalsContact CD1-CG2 3.49Å; Y393-I449 HydrophobicContact CE1-CG2 4.3Å; Y393-I449 HydrophobicContact CG-CG2 3.72Å; Y393-I453 HydrophobicContact CD1-CG2 3.98Å; Y393-I453 HydrophobicContact CE1-CB 4.41Å; Y393-I453 HydrophobicContact CE1-CD1 3.59Å; Y393-I453 HydrophobicContact CE1-CG1 3.82Å; Y393-I453 HydrophobicContact CE1-CG2 3.72Å; Y393-I453 WeakPolarHBondContact OH-CD1 3.49Å
394	Q	98.6	Very high	98.4	Very high	51 Å²	51	21.7 Å²	21.7	24%	0.238	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-47.8	174.5	-177.5	63.3	54.7	0	0	111.2	L352 T390 F391 A396 Y397 D398	L352-Q394 HydrophobicContact CD2-CB 3.77Å; L352-Q394 HydrophobicContact CD2-CG 3.92Å; T390-Q394 PolarHBondContact O-N 2.88Å; F391-Q394 PolarHBondContact O-N 3.33Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.26Å; Q394-Y397 WeakPolarHBondContact O-CB 3.42Å; Q394-Y397 PolarHBondContact O-N 3.03Å; Q394-Y397 VanDerWaalsContact O-N 3.16Å; Q394-D398 PolarHBondContact NE2-OD1 2.85Å; Q394-D398 PolarHBondContact NE2-OD2 3.07Å; Q394-D398 PolarHBondContact O-N 2.95Å
395	V	98.7	Very high	98.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-44.2	177.3	170.4	0	0	0	0	111.7	V336 A340 I346 F391 Y397 D398 M399	V336-V395 HydrophobicContact CG1-CG1 3.89Å; A340-V395 HydrophobicContact CB-CG1 3.45Å; A340-V395 VanDerWaalsContact CB-CG1 3.45Å; I346-V395 HydrophobicContact CD1-CG2 4.3Å; I346-V395 HydrophobicContact CG2-CG2 3.88Å; F391-V395 HydrophobicContact CD1-CG2 3.85Å; F391-V395 HydrophobicContact CE1-CG2 3.62Å; F391-V395 HydrophobicContact CZ-CG2 4.43Å; F391-V395 WeakPolarHBondContact O-CG2 3.35Å; F391-V395 PolarHBondContact O-N 3.48Å; V395-Y397 VanDerWaalsContact C-N 3.35Å; V395-Y397 PolarHBondContact O-N 3.47Å; V395-D398 PolarHBondContact O-N 2.87Å; V395-M399 HydrophobicContact CG1-CG 4.04Å; V395-M399 VanDerWaalsContact O-CB 3.26Å; V395-M399 WeakPolarHBondContact O-CB 3.08Å; V395-M399 WeakPolarHBondContact O-CG 3.43Å; V395-M399 PolarHBondContact O-N 3.43Å
396	A	98.7	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-39.2	178.5	0	0	0	0	0	112.6	F392 Y393 Q394 G400 L404 T448	F392-A396 VanDerWaalsContact O-CB 3.31Å; F392-A396 WeakPolarHBondContact O-CB 3.2Å; F392-A396 PolarHBondContact O-N 2.81Å; Y393-A396 PolarHBondContact O-N 2.98Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.26Å; A396-G400 PolarHBondContact O-N 3.1Å; A396-L404 HydrophobicContact CB-CD2 4.16Å; A396-T448 HydrophobicContact CB-CG2 4.31Å; A396-T448 WeakPolarHBondContact O-CG2 3.39Å
397	Y	98.6	Very high	98.5	Very high	64 Å²	64	26.9 Å²	26.9	25%	0.251	13%	0.13	S	C	.	.	H	α-helix	trans	-59.9	-50.3	173.9	174.9	-93.1	0	0	0	111.4	W358 L360 P361 Y393 Q394 V395 G400 Q445 I449	W358-Y397 AromaticContact CH2-CD2 3.67Å; W358-Y397 HydrophobicContact CH2-CD2 3.67Å; W358-Y397 HydrophobicContact CH2-CE2 4.48Å; W358-Y397 AromaticContact CH2-CG 3.76Å; W358-Y397 HydrophobicContact CH2-CG 3.76Å; W358-Y397 HydrophobicContact CZ2-CD1 4.33Å; W358-Y397 HydrophobicContact CZ2-CD2 4.14Å; W358-Y397 AromaticContact CZ2-CG 3.82Å; W358-Y397 HydrophobicContact CZ2-CG 3.82Å; L360-Y397 HydrophobicContact CD1-CD2 3.89Å; L360-Y397 HydrophobicContact CD1-CE2 4.06Å; P361-Y397 HydrophobicContact CB-CE2 4.23Å; P361-Y397 HydrophobicContact CG-CD2 4.46Å; P361-Y397 HydrophobicContact CG-CE1 4.14Å; P361-Y397 HydrophobicContact CG-CE2 3.77Å; Y393-Y397 PolarHBondContact O-N 3.07Å; Q394-Y397 WeakPolarHBondContact O-CB 3.42Å; Q394-Y397 PolarHBondContact O-N 3.03Å; Q394-Y397 VanDerWaalsContact O-N 3.16Å; V395-Y397 VanDerWaalsContact C-N 3.35Å; V395-Y397 PolarHBondContact O-N 3.47Å; Y397-G400 PolarHBondContact O-N 3.34Å; Y397-Q445 HydrophobicContact CD2-CG 4.22Å; Y397-Q445 HydrophobicContact CE2-CG 4.28Å; Y397-I449 HydrophobicContact CD2-CD1 4.29Å
398	D	98.4	Very high	98.5	Very high	64 Å²	64	26.5 Å²	26.5	34%	0.342	13%	0.128	S	C	.	.	H	α-helix	trans	-72.9	-34.1	-176	-66.4	-33.3	0	0	0	112.8	V345 Q394 V395 R403	V345-D398 HydrophobicContact CG1-CB 3.31Å; Q394-D398 PolarHBondContact NE2-OD1 2.85Å; Q394-D398 PolarHBondContact NE2-OD2 3.07Å; Q394-D398 PolarHBondContact O-N 2.95Å; V395-D398 PolarHBondContact O-N 2.87Å; D398-R403 PolarHBondContact O-NH2 2.57Å
399	M	98.5	Very high	98.5	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-43.9	172.7	-76	-73.2	-76.9	0	0	111	A340 A343 V345 V395 R403 L404 W407	A340-M399 HydrophobicContact CB-CG 4.46Å; A340-M399 HydrophobicContact CB-SD 4.3Å; A343-M399 HydrophobicContact CB-CE 4.15Å; A343-M399 HydrophobicContact CB-SD 3.7Å; V345-M399 HydrophobicContact CB-CG 4.47Å; V345-M399 HydrophobicContact CB-SD 4.05Å; V345-M399 HydrophobicContact CG1-CG 4.32Å; V345-M399 HydrophobicContact CG2-CG 4.29Å; V345-M399 HydrophobicContact CG2-SD 3.61Å; V395-M399 HydrophobicContact CG1-CG 4.04Å; V395-M399 VanDerWaalsContact O-CB 3.26Å; V395-M399 WeakPolarHBondContact O-CB 3.08Å; V395-M399 WeakPolarHBondContact O-CG 3.43Å; V395-M399 PolarHBondContact O-N 3.43Å; M399-R403 HydrophobicContact CE-CB 4.07Å; M399-R403 PolarHBondContact O-NE 2.88Å; M399-R403 PolarHBondContact O-NH2 3.01Å; M399-L404 HydrophobicContact CB-CB 4.31Å; M399-W407 HydrophobicContact CE-CG 4.41Å
400	G	98.3	Very high	98.5	Very high	22 Å²	22	30.9 Å²	30.9	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	72.5	156.6	-165.1	0	0	0	0	0	111.8	A396 Y397 D402 L404	A396-G400 PolarHBondContact O-N 3.1Å; Y397-G400 PolarHBondContact O-N 3.34Å; G400-D402 VanDerWaalsContact C-N 3.26Å; G400-D402 PolarHBondContact O-N 2.86Å; G400-L404 VanDerWaalsContact O-CB 3.28Å; G400-L404 WeakPolarHBondContact O-CB 3.11Å; G400-L404 PolarHBondContact O-N 3.2Å
401	I	98.6	Very high	98.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-32.8	-174.4	-173.5	60	0	0	0	112.8	L404 S405 P430 R432 W443 T448 V451	I401-L404 PolarHBondContact O-N 2.88Å; I401-S405 WeakPolarHBondContact O-CB 3.49Å; I401-S405 PolarHBondContact O-N 3.43Å; I401-S405 PolarHBondContact O-OG 3.02Å; I401-P430 HydrophobicContact CD1-CG 4.47Å; I401-P430 WeakPolarHBondContact CD1-O 3.5Å; I401-R432 HydrophobicContact CG2-CG 3.8Å; I401-W443 HydrophobicContact CB-CD2 4.42Å; I401-W443 HydrophobicContact CB-CZ2 3.94Å; I401-W443 HydrophobicContact CD1-CH2 3.84Å; I401-W443 HydrophobicContact CD1-CZ2 3.52Å; I401-W443 HydrophobicContact CG1-CD2 4.19Å; I401-W443 HydrophobicContact CG1-CH2 3.9Å; I401-W443 HydrophobicContact CG1-CZ2 3.46Å; I401-W443 VanDerWaalsContact CG1-CZ2 3.46Å; I401-W443 HydrophobicContact CG1-CZ3 4.41Å; I401-W443 HydrophobicContact CG2-CD2 4.11Å; I401-W443 HydrophobicContact CG2-CG 4.01Å; I401-T448 HydrophobicContact CB-CG2 4.13Å; I401-V451 HydrophobicContact CD1-CG1 4.36Å; I401-V451 HydrophobicContact CD1-CG2 4.27Å
402	D	98.6	Very high	98.6	Very high	72 Å²	72	31 Å²	31	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-66.2	-52.4	-173.9	-53.6	-36	0	0	0	110.4	G400 S405 E406 R432	G400-D402 VanDerWaalsContact C-N 3.26Å; G400-D402 PolarHBondContact O-N 2.86Å; D402-S405 PolarHBondContact O-OG 2.8Å; D402-E406 VanDerWaalsContact O-CB 3.3Å; D402-E406 WeakPolarHBondContact O-CB 3.5Å; D402-E406 PolarHBondContact O-N 2.77Å; D402-R432 VanDerWaalsContact CG-NE 3.28Å; D402-R432 VanDerWaalsContact OD1-CD 3.27Å; D402-R432 WeakPolarHBondContact OD1-CD 3.26Å; D402-R432 WeakPolarHBondContact OD1-CG 3.25Å; D402-R432 IonicContact OD1-CZ 2.79Å; D402-R432 IonicContact OD1-NE 3.23Å; D402-R432 PolarHBondContact OD1-NE 2.97Å; D402-R432 IonicContact OD2-CZ 3.83Å; D402-R432 IonicContact OD2-NE 3.78Å; D402-R432 PolarHBondContact OD2-NE 3.11Å; D402-R432 IonicContact OD2-NH2 3.53Å; D402-R432 PolarHBondContact OD2-NH2 2.8Å
403	R	98.3	Very high	98.6	Very high	103 Å²	103	31 Å²	31	39%	0.389	15%	0.152	S	C	.	.	H	α-helix	trans	-66.2	-41.7	174.4	-71.3	-174.9	-67.6	175.9	-4.3	112.1	D398 M399 S405 E406 W407	D398-R403 PolarHBondContact O-NH2 2.57Å; M399-R403 HydrophobicContact CE-CB 4.07Å; M399-R403 PolarHBondContact O-NE 2.88Å; M399-R403 PolarHBondContact O-NH2 3.01Å; R403-S405 PolarHBondContact O-N 2.79Å; R403-E406 PolarHBondContact O-N 3.24Å; R403-W407 WeakPolarHBondContact O-CB 3.38Å; R403-W407 PolarHBondContact O-N 3.35Å
404	L	98.6	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-46.4	-178.4	-178.5	59.8	0	0	0	111.5	V336 A396 M399 G400 I401 M408 V451	V336-L404 HydrophobicContact CG1-CD1 4.07Å; V336-L404 HydrophobicContact CG2-CD1 4.19Å; A396-L404 HydrophobicContact CB-CD2 4.16Å; M399-L404 HydrophobicContact CB-CB 4.31Å; G400-L404 VanDerWaalsContact O-CB 3.28Å; G400-L404 WeakPolarHBondContact O-CB 3.11Å; G400-L404 PolarHBondContact O-N 3.2Å; I401-L404 PolarHBondContact O-N 2.88Å; L404-M408 HydrophobicContact CD1-CG 4.19Å; L404-M408 WeakPolarHBondContact O-CB 3.45Å; L404-M408 VanDerWaalsContact O-CG 3.25Å; L404-M408 WeakPolarHBondContact O-CG 3.42Å; L404-M408 PolarHBondContact O-N 2.93Å; L404-V451 HydrophobicContact CD2-CB 3.93Å; L404-V451 HydrophobicContact CD2-CG1 3.63Å; L404-V451 HydrophobicContact CG-CG1 4.24Å
405	S	98.5	Very high	98.5	Very high	12 Å²	12	33.9 Å²	33.9	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-69.8	-38.6	178.9	63.3	0	0	0	0	112.6	I401 D402 R403 M408 G409 P430	I401-S405 WeakPolarHBondContact O-CB 3.49Å; I401-S405 PolarHBondContact O-N 3.43Å; I401-S405 PolarHBondContact O-OG 3.02Å; D402-S405 PolarHBondContact O-OG 2.8Å; R403-S405 PolarHBondContact O-N 2.79Å; S405-M408 PolarHBondContact O-N 3.14Å; S405-G409 PolarHBondContact O-N 3.49Å; S405-P430 VanDerWaalsContact CB-O 3.3Å; S405-P430 WeakPolarHBondContact CB-O 3.21Å
406	E	98.6	Very high	98.5	Very high	101 Å²	101	40.9 Å²	40.9	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-50.3	173.1	-173.7	-158.1	153.6	0	0	111.1	D402 R403 G409 K410	D402-E406 VanDerWaalsContact O-CB 3.3Å; D402-E406 WeakPolarHBondContact O-CB 3.5Å; D402-E406 PolarHBondContact O-N 2.77Å; R403-E406 PolarHBondContact O-N 3.24Å; E406-G409 PolarHBondContact O-N 3.46Å; E406-K410 WeakPolarHBondContact O-CG 3.49Å; E406-K410 PolarHBondContact O-N 3.24Å; E406-K410 VanDerWaalsContact O-N 3.15Å; E406-K410 WeakPolarHBondContact OE1-CE 3.25Å; E406-K410 IonicContact OE1-NZ 2.73Å; E406-K410 PolarHBondContact OE1-NZ 2.9Å
407	W	98.7	Very high	98.5	Very high	28 Å²	28	40.9 Å²	40.9	11%	0.106	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-44.7	179.5	-89	100.2	0	0	0	112.4	S339 S342 M399 R403 G409 K410 F411 V504	S339-W407 WeakPolarHBondContact OG-CB 3.35Å; S342-W407 VanDerWaalsContact CB-CZ2 3.48Å; M399-W407 HydrophobicContact CE-CG 4.41Å; R403-W407 WeakPolarHBondContact O-CB 3.38Å; R403-W407 PolarHBondContact O-N 3.35Å; W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.5Å; W407-K410 WeakPolarHBondContact O-CB 3.45Å; W407-K410 PolarHBondContact O-N 2.83Å; W407-K410 VanDerWaalsContact O-N 3.13Å; W407-F411 WeakPolarHBondContact O-CD2 3.2Å; W407-F411 PolarHBondContact O-N 2.92Å; W407-V504 HydrophobicContact CE3-CG1 4.26Å; W407-V504 HydrophobicContact CZ3-CG1 4Å
408	M	98.7	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-28	179.6	-65.1	-60.2	99.2	0	0	112.5	V336 S339 L404 S405 K410 F411 G412 Y413 M429 W458	V336-M408 HydrophobicContact CG2-CE 4.33Å; V336-M408 HydrophobicContact CG2-SD 3.89Å; S339-M408 WeakPolarHBondContact OG-CE 3.37Å; L404-M408 HydrophobicContact CD1-CG 4.19Å; L404-M408 WeakPolarHBondContact O-CB 3.45Å; L404-M408 VanDerWaalsContact O-CG 3.25Å; L404-M408 WeakPolarHBondContact O-CG 3.42Å; L404-M408 PolarHBondContact O-N 2.93Å; S405-M408 PolarHBondContact O-N 3.14Å; M408-K410 VanDerWaalsContact C-N 3.34Å; M408-F411 HydrophobicContact CE-CD2 3.67Å; M408-F411 HydrophobicContact CE-CE2 3.97Å; M408-F411 PolarHBondContact O-N 2.72Å; M408-G412 PolarHBondContact O-N 3.2Å; M408-Y413 HydrophobicContact CB-CD2 4.3Å; M408-Y413 WeakPolarHBondContact O-CB 3.47Å; M408-Y413 PolarHBondContact O-N 2.95Å; M408-Y413 VanDerWaalsContact O-N 3.11Å; M408-Y413 HydrophobicContact SD-CD2 4.43Å; M408-M429 HydrophobicContact CB-CE 3.23Å; M408-M429 HydrophobicContact CB-CG 4.43Å; M408-M429 HydrophobicContact CB-SD 3.85Å; M408-M429 HydrophobicContact CG-CE 3.94Å; M408-W458 HydrophobicContact CB-CH2 4.13Å; M408-W458 HydrophobicContact CB-CZ2 4.2Å; M408-W458 HydrophobicContact CG-CH2 3.48Å; M408-W458 VanDerWaalsContact CG-CH2 3.48Å; M408-W458 HydrophobicContact CG-CZ2 4.05Å; M408-W458 HydrophobicContact CG-CZ3 4.03Å; M408-W458 HydrophobicContact SD-CH2 3.41Å; M408-W458 WeakPolarHBondContact SD-CH2 3.18Å; M408-W458 HydrophobicContact SD-CZ2 4.07Å; M408-W458 HydrophobicContact SD-CZ3 4.3Å
409	G	98.5	Very high	98.5	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-41.3	167.5	0	0	0	0	0	112.3	S405 E406 W407 F411 G412 H415	S405-G409 PolarHBondContact O-N 3.49Å; E406-G409 PolarHBondContact O-N 3.46Å; W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.5Å; G409-F411 VanDerWaalsContact C-N 3.27Å; G409-F411 PolarHBondContact O-N 3.47Å; G409-G412 WeakPolarHBondContact O-CA 3.45Å; G409-G412 PolarHBondContact O-N 3.32Å; G409-H415 PolarHBondContact O-CD2 2.88Å
410	K	98.4	Very high	98.5	Very high	91 Å²	91	36.9 Å²	36.9	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-30.6	174	-64.9	173.8	-173.2	168.7	0	112.9	E406 W407 M408 G412 V504	E406-K410 WeakPolarHBondContact O-CG 3.49Å; E406-K410 PolarHBondContact O-N 3.24Å; E406-K410 VanDerWaalsContact O-N 3.15Å; E406-K410 WeakPolarHBondContact OE1-CE 3.25Å; E406-K410 IonicContact OE1-NZ 2.73Å; E406-K410 PolarHBondContact OE1-NZ 2.9Å; W407-K410 WeakPolarHBondContact O-CB 3.45Å; W407-K410 PolarHBondContact O-N 2.83Å; W407-K410 VanDerWaalsContact O-N 3.13Å; M408-K410 VanDerWaalsContact C-N 3.34Å; K410-G412 PolarHBondContact O-N 2.96Å; K410-V504 HydrophobicContact CB-CG1 3.89Å; K410-V504 HydrophobicContact CB-CG2 4.05Å; K410-V504 WeakPolarHBondContact O-CG2 3.47Å
411	F	98.7	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.4	170.7	-80	-84.7	0	0	0	114	Y335 V338 W407 M408 G409 Y413 A468 I471 V504 W512	Y335-F411 AromaticContact CD1-CD1 3.97Å; Y335-F411 HydrophobicContact CD1-CD1 3.97Å; Y335-F411 AromaticContact CD1-CE1 3.82Å; Y335-F411 HydrophobicContact CD1-CE1 3.82Å; Y335-F411 HydrophobicContact CD1-CZ 4.49Å; Y335-F411 HydrophobicContact CG-CD1 4.15Å; Y335-F411 HydrophobicContact CG-CE1 4.23Å; V338-F411 HydrophobicContact CB-CZ 4.46Å; V338-F411 HydrophobicContact CG1-CZ 4.45Å; W407-F411 WeakPolarHBondContact O-CD2 3.2Å; W407-F411 PolarHBondContact O-N 2.92Å; M408-F411 HydrophobicContact CE-CD2 3.67Å; M408-F411 HydrophobicContact CE-CE2 3.97Å; M408-F411 PolarHBondContact O-N 2.72Å; G409-F411 VanDerWaalsContact C-N 3.27Å; G409-F411 PolarHBondContact O-N 3.47Å; F411-Y413 HydrophobicContact CB-CD2 3.98Å; F411-Y413 HydrophobicContact CB-CE2 4.16Å; F411-A468 HydrophobicContact CB-CB 4.25Å; F411-A468 HydrophobicContact CD1-CB 4.39Å; F411-I471 HydrophobicContact CD1-CB 4.08Å; F411-I471 HydrophobicContact CD1-CD1 4.42Å; F411-I471 HydrophobicContact CD1-CG2 3.75Å; F411-I471 HydrophobicContact CE1-CB 4.27Å; F411-I471 HydrophobicContact CE1-CG2 3.66Å; F411-V504 HydrophobicContact CD2-CG1 4.35Å; F411-V504 HydrophobicContact CE2-CG1 4.08Å; F411-V504 HydrophobicContact CZ-CG1 4.33Å; F411-W512 HydrophobicContact CE1-CZ3 4.02Å; F411-W512 HydrophobicContact CZ-CH2 4.16Å; F411-W512 AromaticContact CZ-CZ3 3.76Å; F411-W512 HydrophobicContact CZ-CZ3 3.76Å
412	G	98.5	Very high	98.5	Very high	6 Å²	6	38.3 Å²	38.3	6%	0.062	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-2.4	178.1	0	0	0	0	0	115.2	M408 G409 K410 G414 H415	M408-G412 PolarHBondContact O-N 3.2Å; G409-G412 WeakPolarHBondContact O-CA 3.45Å; G409-G412 PolarHBondContact O-N 3.32Å; K410-G412 PolarHBondContact O-N 2.96Å; G412-G414 PolarHBondContact O-N 3.47Å; G412-H415 PolarHBondContact O-N 3.33Å
413	Y	98.8	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	132.1	179.1	-69	-74.9	0	0	0	111.5	P328 Y335 M408 F411 H415 M429 W458 A460 Q464 A468	P328-Y413 HydrophobicContact CB-CE1 4.49Å; Y335-Y413 AromaticContact CD2-CE2 3.88Å; Y335-Y413 HydrophobicContact CD2-CE2 3.88Å; Y335-Y413 WeakPolarHBondContact CD2-OH 3.32Å; Y335-Y413 HydrophobicContact CE2-CE2 4.3Å; Y335-Y413 WeakPolarHBondContact CE2-OH 3.1Å; M408-Y413 HydrophobicContact CB-CD2 4.3Å; M408-Y413 WeakPolarHBondContact O-CB 3.47Å; M408-Y413 PolarHBondContact O-N 2.95Å; M408-Y413 VanDerWaalsContact O-N 3.11Å; M408-Y413 HydrophobicContact SD-CD2 4.43Å; F411-Y413 HydrophobicContact CB-CD2 3.98Å; F411-Y413 HydrophobicContact CB-CE2 4.16Å; Y413-H415 VanDerWaalsContact C-N 3.29Å; Y413-M429 HydrophobicContact CG-CE 4.41Å; Y413-M429 WeakPolarHBondContact O-CB 3.36Å; Y413-W458 AromaticContact CD1-CE2 3.98Å; Y413-W458 AromaticContact CD1-CZ2 3.85Å; Y413-W458 HydrophobicContact CD1-CZ2 3.85Å; Y413-W458 AromaticContact CD1-NE1 3.48Å; Y413-W458 HydrophobicContact CD2-CH2 4.45Å; Y413-W458 AromaticContact CD2-CZ2 3.56Å; Y413-W458 HydrophobicContact CD2-CZ2 3.56Å; Y413-W458 HydrophobicContact CE1-CZ2 4.06Å; Y413-W458 AromaticContact CE2-CZ2 3.81Å; Y413-W458 HydrophobicContact CE2-CZ2 3.81Å; Y413-W458 AromaticContact CG-CE2 3.96Å; Y413-W458 AromaticContact CG-CZ2 3.57Å; Y413-W458 HydrophobicContact CG-CZ2 3.57Å; Y413-W458 AromaticContact CG-NE1 3.72Å; Y413-A460 HydrophobicContact CD1-CB 3.61Å; Y413-A460 HydrophobicContact CE1-CB 3.68Å; Y413-Q464 HydrophobicContact CD1-CB 4.49Å; Y413-A468 HydrophobicContact CD2-CB 4.49Å; Y413-A468 HydrophobicContact CE2-CB 3.6Å
414	G	98.2	Very high	98.5	Very high	21 Å²	21	32 Å²	32	22%	0.216	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-2.1	-175.8	0	0	0	0	0	114.2	G412 S426	G412-G414 PolarHBondContact O-N 3.47Å; G414-S426 CarbonylContact C-O 3.31Å; G414-S426 VanDerWaalsContact C-O 3.26Å; G414-S426 WeakPolarHBondContact CA-O 3.41Å
415	H	98.4	Very high	98.5	Very high	108 Å²	108	38.6 Å²	38.6	50%	0.5	20%	0.198	S	C	.	.	S	Bend	trans	-119.5	152.8	179.6	-58.5	-70.6	0	0	0	110.9	G409 G412 Y413 Q464	G409-H415 PolarHBondContact O-CD2 2.88Å; G412-H415 PolarHBondContact O-N 3.33Å; Y413-H415 VanDerWaalsContact C-N 3.29Å; H415-Q464 PolarHBondContact O-NE2 3.36Å
416	Y	98.7	Very high	98.5	Very high	147 Å²	147	39.8 Å²	39.8	58%	0.576	21%	0.207	S	C	*	.			trans	-60.1	143.2	166.3	-68	-68.8	0	0	0	109.8	G418 E424	Y416-G418 VanDerWaalsContact C-N 3.31Å; Y416-G418 PolarHBondContact O-N 3.46Å; Y416-E424 WeakPolarHBondContact CB-OE2 3.23Å; Y416-E424 HydrophobicContact CD1-CB 3.87Å; Y416-E424 HydrophobicContact CD1-CG 3.77Å; Y416-E424 VanDerWaalsContact CD1-OE2 3.31Å; Y416-E424 WeakPolarHBondContact CD1-OE2 3.21Å; Y416-E424 HydrophobicContact CE1-CB 4.07Å; Y416-E424 HydrophobicContact CE1-CG 4.3Å; Y416-E424 WeakPolarHBondContact CE1-O 3.38Å
417	T	98.7	Very high	98.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.194	C	C	.	.			trans	-77.1	-22.2	-172.8	55.5	0	0	0	0	113.1	I419 E424 I463 Q464 K467	T417-I419 WeakPolarHBondContact OG1-CG2 3.38Å; T417-I419 PolarHBondContact OG1-N 2.95Å; T417-E424 VanDerWaalsContact CB-OE1 3.29Å; T417-E424 WeakPolarHBondContact CB-OE1 3.19Å; T417-E424 VanDerWaalsContact CG2-OE1 3.32Å; T417-E424 WeakPolarHBondContact CG2-OE1 3.4Å; T417-E424 PolarHBondContact N-OE1 3.13Å; T417-E424 PolarHBondContact N-OE2 3.1Å; T417-E424 PolarHBondContact OG1-OE1 3.36Å; T417-I463 HydrophobicContact CG2-CB 4.47Å; T417-I463 HydrophobicContact CG2-CG1 4.19Å; T417-I463 HydrophobicContact CG2-CG2 3.93Å; T417-Q464 HydrophobicContact CG2-CB 4.25Å; T417-Q464 HydrophobicContact CG2-CG 3.61Å; T417-K467 HydrophobicContact CG2-CB 4.31Å; T417-K467 HydrophobicContact CG2-CD 4.26Å; T417-K467 PolarHBondContact O-NZ 3.21Å
418	G	98.2	Very high	98.4	Very high	41 Å²	41	35.8 Å²	35.8	42%	0.423	20%	0.195	S	C	.	.			trans	89.6	6.9	-170.4	0	0	0	0	0	113.2	Y416 V480	Y416-G418 VanDerWaalsContact C-N 3.31Å; Y416-G418 PolarHBondContact O-N 3.46Å; G418-V480 VanDerWaalsContact C-CG1 3.43Å; G418-V480 WeakPolarHBondContact O-CG1 3.39Å
419	I	98.8	Very high	98.4	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	20%	0.199	C	C	.	.			trans	-57.8	144.2	172.1	-168	167.4	0	0	0	110.8	V283 L286 T417 L421 I463 P481 L483	V283-I419 HydrophobicContact CG2-CD1 4.44Å; L286-I419 HydrophobicContact CD1-CD1 3.67Å; T417-I419 WeakPolarHBondContact OG1-CG2 3.38Å; T417-I419 PolarHBondContact OG1-N 2.95Å; I419-L421 HydrophobicContact CD1-CD1 4.04Å; I419-L421 HydrophobicContact CD1-CG 4.33Å; I419-L421 HydrophobicContact CG1-CG 4.26Å; I419-L421 HydrophobicContact CG2-CB 4.34Å; I419-L421 PolarHBondContact O-N 3.38Å; I419-I463 HydrophobicContact CB-CG1 4.46Å; I419-I463 HydrophobicContact CD1-CD1 3.86Å; I419-I463 HydrophobicContact CD1-CG1 3.97Å; I419-I463 HydrophobicContact CG2-CG1 4.47Å; I419-P481 WeakPolarHBondContact CA-O 3.24Å; I419-P481 WeakPolarHBondContact CB-O 3.27Å; I419-L483 HydrophobicContact CD1-CD1 4.28Å; I419-L483 HydrophobicContact CG1-CD1 4.42Å
420	D	98.5	Very high	98.4	Very high	2 Å²	2	36 Å²	36	1%	0.011	19%	0.192	C	C	.	.	S	Bend	trans	-77.9	48.4	178.1	49	-3.2	0	0	0	112.8	Y213 Y214 L483 L484	Y213-D420 VanDerWaalsContact CB-O 3.3Å; Y213-D420 WeakPolarHBondContact CB-O 3.44Å; Y213-D420 HydrophobicContact CD1-CB 3.65Å; Y213-D420 WeakPolarHBondContact CD1-O 3.49Å; Y213-D420 VanDerWaalsContact CD2-C 3.46Å; Y213-D420 HydrophobicContact CE1-CB 3.44Å; Y213-D420 VanDerWaalsContact CE1-CB 3.44Å; Y213-D420 HydrophobicContact CG-CB 4.31Å; Y214-D420 HydrophobicContact CE2-CB 3.69Å; Y214-D420 WeakPolarHBondContact OH-CB 3.14Å; Y214-D420 PolarHBondContact OH-OD2 2.96Å; D420-L483 VanDerWaalsContact CG-N 3.31Å; D420-L483 VanDerWaalsContact OD1-CB 3.31Å; D420-L483 WeakPolarHBondContact OD1-CB 3.43Å; D420-L483 PolarHBondContact OD1-N 2.96Å; D420-L483 PolarHBondContact OD2-N 3.14Å; D420-L484 WeakPolarHBondContact OD2-CB 3.24Å; D420-L484 PolarHBondContact OD2-N 3.47Å
421	L	98.6	Very high	98.4	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	19%	0.185	C	C	.	.			trans	-133	135.8	171.5	-65.4	-179.3	0	0	0	109.8	G209 I210 L286 T322 I419 E423 L483	G209-L421 VanDerWaalsContact C-CD2 3.5Å; I210-L421 HydrophobicContact CD1-CD2 4.3Å; I210-L421 HydrophobicContact CG1-CD2 4.19Å; L286-L421 HydrophobicContact CD1-CD1 4.08Å; T322-L421 HydrophobicContact CG2-CD1 4.01Å; I419-L421 HydrophobicContact CD1-CD1 4.04Å; I419-L421 HydrophobicContact CD1-CG 4.33Å; I419-L421 HydrophobicContact CG1-CG 4.26Å; I419-L421 HydrophobicContact CG2-CB 4.34Å; I419-L421 PolarHBondContact O-N 3.38Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-L483 HydrophobicContact CD1-CD1 3.87Å; L421-L483 HydrophobicContact CD2-CD1 3.71Å; L421-L483 HydrophobicContact CG-CD1 3.64Å
422	A	98.2	Very high	98.4	Very high	47 Å²	47	38.6 Å²	38.6	39%	0.388	20%	0.204	S	C	.	.	S	Bend	trans	-77.9	-22.2	179.8	0	0	0	0	0	112.8	E424	A422-E424 PolarHBondContact O-N 2.94Å; A422-E424 VanDerWaalsContact O-N 3.16Å
423	E	98.3	Very high	98.4	Very high	21 Å²	21	44.4 Å²	44.4	10%	0.098	23%	0.229	C	C	.	.			trans	-85.8	75.5	-179.4	-64.6	72	-134.8	0	0	111.2	L208 G209 R212 T322 Q323 L421	L208-E423 WeakPolarHBondContact CA-OE1 3.31Å; L208-E423 VanDerWaalsContact CB-CD 3.49Å; L208-E423 HydrophobicContact CB-CG 4.11Å; G209-E423 PolarHBondContact N-OE2 3.49Å; R212-E423 WeakPolarHBondContact CD-OE1 3.14Å; R212-E423 IonicContact CZ-OE1 3.46Å; R212-E423 IonicContact NE-OE1 3.11Å; R212-E423 IonicContact NH1-OE1 3.35Å; R212-E423 PolarHBondContact NH1-OE1 3.28Å; T322-E423 WeakPolarHBondContact CB-O 3.34Å; T322-E423 PolarHBondContact OG1-O 3.19Å; Q323-E423 HydrophobicContact CG-CB 4.24Å; Q323-E423 VanDerWaalsContact CG-O 3.24Å; Q323-E423 WeakPolarHBondContact CG-O 3.33Å; L421-E423 VanDerWaalsContact C-N 3.34Å
424	E	98.7	Very high	98.4	Very high	23 Å²	23	47.5 Å²	47.5	11%	0.107	24%	0.241	C	C	.	.			trans	-126.7	149.2	178.7	-162.8	179.6	-166.2	0	0	112	Y416 T417 A422	Y416-E424 WeakPolarHBondContact CB-OE2 3.23Å; Y416-E424 HydrophobicContact CD1-CB 3.87Å; Y416-E424 HydrophobicContact CD1-CG 3.77Å; Y416-E424 VanDerWaalsContact CD1-OE2 3.31Å; Y416-E424 WeakPolarHBondContact CD1-OE2 3.21Å; Y416-E424 HydrophobicContact CE1-CB 4.07Å; Y416-E424 HydrophobicContact CE1-CG 4.3Å; Y416-E424 WeakPolarHBondContact CE1-O 3.38Å; T417-E424 VanDerWaalsContact CB-OE1 3.29Å; T417-E424 WeakPolarHBondContact CB-OE1 3.19Å; T417-E424 VanDerWaalsContact CG2-OE1 3.32Å; T417-E424 WeakPolarHBondContact CG2-OE1 3.4Å; T417-E424 PolarHBondContact N-OE1 3.13Å; T417-E424 PolarHBondContact N-OE2 3.1Å; T417-E424 PolarHBondContact OG1-OE1 3.36Å; A422-E424 PolarHBondContact O-N 2.94Å; A422-E424 VanDerWaalsContact O-N 3.16Å
425	R	98.2	Very high	98.4	Very high	137 Å²	137	46.8 Å²	46.8	52%	0.517	23%	0.232	S	C	.	.			trans	-120.2	140.2	166.5	-64.8	-171.3	69.1	-158.9	-0.6	110	T322 Q323 V325 G427 T461	T322-R425 PolarHBondContact O-N 3.26Å; Q323-R425 HydrophobicContact CB-CG 4.16Å; Q323-R425 WeakPolarHBondContact O-CD 3.33Å; V325-R425 HydrophobicContact CG2-CB 3.77Å; V325-R425 HydrophobicContact CG2-CG 4.47Å; R425-G427 VanDerWaalsContact C-N 3.29Å; R425-G427 PolarHBondContact O-N 3.06Å; R425-T461 HydrophobicContact CB-CG2 4.41Å; R425-T461 WeakPolarHBondContact O-CG2 3.23Å
426	S	98	Very high	98.4	Very high	38 Å²	38	46.2 Å²	46.2	27%	0.266	23%	0.23	S	C	.	.			trans	-80.4	-1.8	-176.8	59.6	0	0	0	0	114.9	G414 Q464	G414-S426 CarbonylContact C-O 3.31Å; G414-S426 VanDerWaalsContact C-O 3.26Å; G414-S426 WeakPolarHBondContact CA-O 3.41Å; S426-Q464 VanDerWaalsContact C-NE2 3.33Å; S426-Q464 PolarHBondContact O-NE2 2.98Å
427	G	97.4	Very high	98.4	Very high	19 Å²	19	47.4 Å²	47.4	20%	0.196	24%	0.238	C	C	.	.			trans	61.3	-142.2	-172.6	0	0	0	0	0	112	R425	R425-G427 VanDerWaalsContact C-N 3.29Å; R425-G427 PolarHBondContact O-N 3.06Å
428	N	98.5	Very high	98.3	Very high	26 Å²	26	54.7 Å²	54.7	14%	0.139	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-157.9	113.6	176.4	-174.5	59.6	0	0	0	110.9	W434 Y457 W458 T459	N428-W434 WeakPolarHBondContact ND2-CH2 3.46Å; N428-W434 WeakPolarHBondContact ND2-CZ2 3.25Å; N428-W434 PolarHBondContact OD1-NE1 3.11Å; N428-Y457 PolarHBondContact ND2-O 2.8Å; N428-W458 WeakPolarHBondContact O-CA 3.3Å; N428-T459 WeakPolarHBondContact CB-OG1 3.36Å; N428-T459 PolarHBondContact N-O 3.37Å; N428-T459 PolarHBondContact N-OG1 3.49Å; N428-T459 PolarHBondContact O-N 3.01Å
429	M	98.6	Very high	98.3	Very high	17 Å²	17	56.6 Å²	56.6	8%	0.084	26%	0.262	C	S	.	.			trans	-96.4	108	163.3	174.3	49.3	55.9	0	0	108	M408 Y413 W458	M408-M429 HydrophobicContact CB-CE 3.23Å; M408-M429 HydrophobicContact CB-CG 4.43Å; M408-M429 HydrophobicContact CB-SD 3.85Å; M408-M429 HydrophobicContact CG-CE 3.94Å; Y413-M429 HydrophobicContact CG-CE 4.41Å; Y413-M429 WeakPolarHBondContact O-CB 3.36Å; M429-W458 HydrophobicContact CE-CD2 3.43Å; M429-W458 VanDerWaalsContact CE-CD2 3.43Å; M429-W458 HydrophobicContact CE-CE3 3.96Å; M429-W458 HydrophobicContact CE-CG 3.89Å; M429-W458 HydrophobicContact CE-CH2 3.93Å; M429-W458 HydrophobicContact CE-CZ2 3.39Å; M429-W458 HydrophobicContact CE-CZ3 4.18Å; M429-W458 VanDerWaalsContact CE-NE1 3.31Å
430	P	98.5	Very high	98.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.294	C	S	.	.			trans	-71	135.8	-170.7	28.6	-36.6	0	0	0	112.5	I401 S405 W434 W443 V451	I401-P430 HydrophobicContact CD1-CG 4.47Å; I401-P430 WeakPolarHBondContact CD1-O 3.5Å; S405-P430 VanDerWaalsContact CB-O 3.3Å; S405-P430 WeakPolarHBondContact CB-O 3.21Å; P430-W434 HydrophobicContact CB-CE3 3.84Å; P430-W434 HydrophobicContact CB-CZ3 3.88Å; P430-W443 HydrophobicContact CB-CH2 3.75Å; P430-W443 HydrophobicContact CB-CZ3 3.86Å; P430-W443 HydrophobicContact CG-CH2 4.11Å; P430-V451 HydrophobicContact CG-CG1 4.36Å; P430-V451 HydrophobicContact CG-CG2 3.89Å
431	T	98.7	Very high	98.2	Very high	38 Å²	38	69.8 Å²	69.8	23%	0.233	32%	0.319	C	S	.	.			trans	-123.5	170.6	169.5	83.3	0	0	0	0	110.7	E433 W434 K435	T431-E433 VanDerWaalsContact C-N 3.34Å; T431-E433 VanDerWaalsContact CB-OE2 3.29Å; T431-E433 WeakPolarHBondContact CB-OE2 3.48Å; T431-E433 PolarHBondContact OG1-N 2.91Å; T431-E433 PolarHBondContact OG1-OE2 2.93Å; T431-W434 PolarHBondContact O-N 2.79Å; T431-W434 PolarHBondContact OG1-N 2.8Å; T431-W434 VanDerWaalsContact OG1-N 3.07Å; T431-K435 PolarHBondContact O-N 3.24Å
432	R	98.4	Very high	98.1	Very high	109 Å²	109	73 Å²	73	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-45	174.3	-61.6	-174.5	-172.8	-113.4	7.2	111.5	I401 D402 K435 Q436 W443	I401-R432 HydrophobicContact CG2-CG 3.8Å; D402-R432 VanDerWaalsContact CG-NE 3.28Å; D402-R432 VanDerWaalsContact OD1-CD 3.27Å; D402-R432 WeakPolarHBondContact OD1-CD 3.26Å; D402-R432 WeakPolarHBondContact OD1-CG 3.25Å; D402-R432 IonicContact OD1-CZ 2.79Å; D402-R432 IonicContact OD1-NE 3.23Å; D402-R432 PolarHBondContact OD1-NE 2.97Å; D402-R432 IonicContact OD2-CZ 3.83Å; D402-R432 IonicContact OD2-NE 3.78Å; D402-R432 PolarHBondContact OD2-NE 3.11Å; D402-R432 IonicContact OD2-NH2 3.53Å; D402-R432 PolarHBondContact OD2-NH2 2.8Å; R432-K435 PolarHBondContact O-N 2.83Å; R432-Q436 WeakPolarHBondContact O-CB 3.32Å; R432-Q436 PolarHBondContact O-N 3.19Å; R432-W443 HydrophobicContact CB-CB 4.28Å; R432-W443 HydrophobicContact CG-CB 3.79Å; R432-W443 HydrophobicContact CG-CG 4.13Å
433	E	98.2	Very high	98.1	Very high	127 Å²	127	71.8 Å²	71.8	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-63.5	-44	-179.3	-57.5	66.5	-139.6	0	0	110.2	T431 Q436 K437	T431-E433 VanDerWaalsContact C-N 3.34Å; T431-E433 VanDerWaalsContact CB-OE2 3.29Å; T431-E433 WeakPolarHBondContact CB-OE2 3.48Å; T431-E433 PolarHBondContact OG1-N 2.91Å; T431-E433 PolarHBondContact OG1-OE2 2.93Å; E433-Q436 PolarHBondContact O-N 3.02Å; E433-K437 WeakPolarHBondContact O-CB 3.37Å; E433-K437 PolarHBondContact O-N 3.21Å
434	W	98.4	Very high	98.1	Very high	66 Å²	66	76.8 Å²	76.8	25%	0.25	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-50.1	176	169.5	86	0	0	0	111.4	N428 P430 T431 Q436 K437 R438 F439 Y457	N428-W434 WeakPolarHBondContact ND2-CH2 3.46Å; N428-W434 WeakPolarHBondContact ND2-CZ2 3.25Å; N428-W434 PolarHBondContact OD1-NE1 3.11Å; P430-W434 HydrophobicContact CB-CE3 3.84Å; P430-W434 HydrophobicContact CB-CZ3 3.88Å; T431-W434 PolarHBondContact O-N 2.79Å; T431-W434 PolarHBondContact OG1-N 2.8Å; T431-W434 VanDerWaalsContact OG1-N 3.07Å; W434-Q436 VanDerWaalsContact C-N 3.34Å; W434-Q436 PolarHBondContact O-N 3.19Å; W434-K437 PolarHBondContact O-N 3.03Å; W434-R438 HydrophobicContact CZ2-CG 4.25Å; W434-R438 VanDerWaalsContact O-CB 3.27Å; W434-R438 WeakPolarHBondContact O-CB 3.23Å; W434-R438 PolarHBondContact O-N 3.13Å; W434-F439 AromaticContact CH2-CE2 3.79Å; W434-F439 HydrophobicContact CH2-CE2 3.79Å; W434-F439 HydrophobicContact CZ2-CE2 4.37Å; W434-F439 HydrophobicContact CZ3-CE2 4.24Å; W434-Y457 AromaticContact CH2-CD1 3.58Å; W434-Y457 HydrophobicContact CH2-CD1 3.58Å; W434-Y457 HydrophobicContact CH2-CD2 4.43Å; W434-Y457 HydrophobicContact CH2-CE1 4.33Å; W434-Y457 AromaticContact CH2-CG 3.64Å; W434-Y457 HydrophobicContact CH2-CG 3.64Å; W434-Y457 AromaticContact CZ3-CD1 3.92Å; W434-Y457 HydrophobicContact CZ3-CD1 3.92Å; W434-Y457 AromaticContact CZ3-CD2 3.92Å; W434-Y457 HydrophobicContact CZ3-CD2 3.92Å; W434-Y457 AromaticContact CZ3-CG 3.55Å; W434-Y457 HydrophobicContact CZ3-CG 3.55Å
435	K	98.3	Very high	98	Very high	6 Å²	6	80.3 Å²	80.3	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-42.2	-179.2	-167.7	-168.9	175.5	-164.3	0	111.1	T431 R432 K437 R438 F439 P442 W443 D447 Y457	T431-K435 PolarHBondContact O-N 3.24Å; R432-K435 PolarHBondContact O-N 2.83Å; K435-K437 PolarHBondContact O-N 3.03Å; K435-R438 PolarHBondContact O-N 3.15Å; K435-F439 HydrophobicContact CG-CD2 3.95Å; K435-F439 PolarHBondContact O-N 2.88Å; K435-P442 PolarHBondContact NZ-O 2.86Å; K435-W443 HydrophobicContact CB-CE3 3.79Å; K435-W443 HydrophobicContact CB-CZ3 4.11Å; K435-W443 HydrophobicContact CD-CD2 4.36Å; K435-W443 HydrophobicContact CD-CE3 3.6Å; K435-W443 HydrophobicContact CD-CZ3 4.12Å; K435-W443 HydrophobicContact CG-CE3 4.24Å; K435-D447 IonicContact NZ-OD1 2.64Å; K435-D447 IonicContact NZ-OD2 3.54Å; K435-D447 PolarHBondContact NZ-OD2 3.4Å; K435-Y457 HydrophobicContact CD-CE2 4.37Å
436	Q	98.3	Very high	98	Very high	95 Å²	95	74.3 Å²	74.3	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-41.7	176.9	-176.6	64.9	-10.8	0	0	111.6	R432 E433 W434 K440 K441	R432-Q436 WeakPolarHBondContact O-CB 3.32Å; R432-Q436 PolarHBondContact O-N 3.19Å; E433-Q436 PolarHBondContact O-N 3.02Å; W434-Q436 VanDerWaalsContact C-N 3.34Å; W434-Q436 PolarHBondContact O-N 3.19Å; Q436-K440 VanDerWaalsContact O-CA 3.23Å; Q436-K440 WeakPolarHBondContact O-CA 3.43Å; Q436-K440 PolarHBondContact O-N 3.16Å; Q436-K441 PolarHBondContact OE1-O 2.66Å
437	K	98.2	Very high	98	Very high	173 Å²	173	73.9 Å²	73.9	75%	0.752	34%	0.337	S	S	*	.	H	α-helix	trans	-65.2	-44.7	175.3	-176.9	177	177.2	179.6	0	111.9	E433 W434 K435	E433-K437 WeakPolarHBondContact O-CB 3.37Å; E433-K437 PolarHBondContact O-N 3.21Å; W434-K437 PolarHBondContact O-N 3.03Å; K435-K437 PolarHBondContact O-N 3.03Å
438	R	97.5	Very high	98	Very high	153 Å²	153	73.2 Å²	73.2	58%	0.577	33%	0.329	S	S	*	.	H	α-helix	trans	-78.2	-36.7	-171.9	179.6	60.3	-175.7	85.7	-3.6	114.4	W434 K435	W434-R438 HydrophobicContact CZ2-CG 4.25Å; W434-R438 VanDerWaalsContact O-CB 3.27Å; W434-R438 WeakPolarHBondContact O-CB 3.23Å; W434-R438 PolarHBondContact O-N 3.13Å; K435-R438 PolarHBondContact O-N 3.15Å
439	F	97.7	Very high	98	Very high	82 Å²	82	72 Å²	72	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-125.2	-5.8	-171.5	-60.6	-69.2	0	0	0	114.4	W434 K435 K441 Y457	W434-F439 AromaticContact CH2-CE2 3.79Å; W434-F439 HydrophobicContact CH2-CE2 3.79Å; W434-F439 HydrophobicContact CZ2-CE2 4.37Å; W434-F439 HydrophobicContact CZ3-CE2 4.24Å; K435-F439 HydrophobicContact CG-CD2 3.95Å; K435-F439 PolarHBondContact O-N 2.88Å; F439-K441 PolarHBondContact O-N 3.26Å; F439-Y457 HydrophobicContact CE2-CD1 4.28Å; F439-Y457 AromaticContact CE2-CE1 3.74Å; F439-Y457 HydrophobicContact CE2-CE1 3.74Å; F439-Y457 HydrophobicContact CZ-CE1 4.09Å
440	K	97.8	Very high	98	Very high	162 Å²	162	72.6 Å²	72.6	70%	0.704	33%	0.327	S	S	*	.	S	Bend	trans	54.2	33.6	-176.1	-54.2	-65.1	179.4	-175.1	0	113	Q436	Q436-K440 VanDerWaalsContact O-CA 3.23Å; Q436-K440 WeakPolarHBondContact O-CA 3.43Å; Q436-K440 PolarHBondContact O-N 3.16Å
441	K	97.3	Very high	97.9	Very high	121 Å²	121	72.6 Å²	72.6	53%	0.526	33%	0.327	S	S	.	.			trans	-129.2	141.5	175.6	-67.9	-169	179.4	-171.5	0	109.7	Q436 F439	Q436-K441 PolarHBondContact OE1-O 2.66Å; F439-K441 PolarHBondContact O-N 3.26Å
442	P	97.6	Very high	97.9	Very high	74 Å²	74	70.8 Å²	70.8	48%	0.481	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-64.3	163.4	177	30	-36.1	0	0	0	111.1	K435 Y444	K435-P442 PolarHBondContact NZ-O 2.86Å; P442-Y444 HydrophobicContact CG-CE1 4.02Å
443	W	98.3	Very high	97.9	Very high	21 Å²	21	66.3 Å²	66.3	8%	0.08	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-72.5	124.7	171.4	-167.8	-89.8	0	0	0	110.6	I401 P430 R432 K435 D447 T448 V451 Y457	I401-W443 HydrophobicContact CB-CD2 4.42Å; I401-W443 HydrophobicContact CB-CZ2 3.94Å; I401-W443 HydrophobicContact CD1-CH2 3.84Å; I401-W443 HydrophobicContact CD1-CZ2 3.52Å; I401-W443 HydrophobicContact CG1-CD2 4.19Å; I401-W443 HydrophobicContact CG1-CH2 3.9Å; I401-W443 HydrophobicContact CG1-CZ2 3.46Å; I401-W443 VanDerWaalsContact CG1-CZ2 3.46Å; I401-W443 HydrophobicContact CG1-CZ3 4.41Å; I401-W443 HydrophobicContact CG2-CD2 4.11Å; I401-W443 HydrophobicContact CG2-CG 4.01Å; P430-W443 HydrophobicContact CB-CH2 3.75Å; P430-W443 HydrophobicContact CB-CZ3 3.86Å; P430-W443 HydrophobicContact CG-CH2 4.11Å; R432-W443 HydrophobicContact CB-CB 4.28Å; R432-W443 HydrophobicContact CG-CB 3.79Å; R432-W443 HydrophobicContact CG-CG 4.13Å; K435-W443 HydrophobicContact CB-CE3 3.79Å; K435-W443 HydrophobicContact CB-CZ3 4.11Å; K435-W443 HydrophobicContact CD-CD2 4.36Å; K435-W443 HydrophobicContact CD-CE3 3.6Å; K435-W443 HydrophobicContact CD-CZ3 4.12Å; K435-W443 HydrophobicContact CG-CE3 4.24Å; W443-D447 HydrophobicContact CD2-CB 4.06Å; W443-D447 HydrophobicContact CE3-CB 4.45Å; W443-D447 HydrophobicContact CH2-CB 3.89Å; W443-D447 VanDerWaalsContact CZ2-C 3.44Å; W443-D447 HydrophobicContact CZ2-CB 3.46Å; W443-D447 VanDerWaalsContact CZ2-CB 3.46Å; W443-D447 WeakPolarHBondContact CZ2-O 3.21Å; W443-D447 HydrophobicContact CZ3-CB 4.37Å; W443-T448 PolarHBondContact NE1-OG1 3.19Å; W443-V451 HydrophobicContact CH2-CG2 4.48Å; W443-V451 HydrophobicContact CZ2-CG2 4.48Å; W443-Y457 HydrophobicContact CH2-CD2 4.02Å; W443-Y457 HydrophobicContact CZ3-CD2 4.06Å
444	Y	97.4	Very high	97.8	Very high	126 Å²	126	60.3 Å²	60.3	49%	0.494	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-95.9	146.1	171.3	-56.4	-57.4	0	0	0	108.9	P442 G446 D447	P442-Y444 HydrophobicContact CG-CE1 4.02Å; Y444-G446 PolarHBondContact O-N 3.46Å; Y444-G446 VanDerWaalsContact O-N 3.11Å; Y444-D447 WeakPolarHBondContact CB-OD2 3.27Å; Y444-D447 PolarHBondContact N-OD2 3.46Å; Y444-D447 VanDerWaalsContact O-CB 3.29Å; Y444-D447 WeakPolarHBondContact O-CB 3.3Å; Y444-D447 PolarHBondContact O-N 3.05Å
445	Q	97	Very high	97.7	Very high	96 Å²	96	58.6 Å²	58.6	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-30.8	-178.6	-162.5	168.2	17.4	0	0	112.8	L360 Y397 D447 T448	L360-Q445 HydrophobicContact CD1-CB 4.47Å; L360-Q445 HydrophobicContact CD1-CG 4.1Å; Y397-Q445 HydrophobicContact CD2-CG 4.22Å; Y397-Q445 HydrophobicContact CE2-CG 4.28Å; Q445-D447 PolarHBondContact O-N 3.08Å; Q445-T448 WeakPolarHBondContact O-CB 3.45Å; Q445-T448 PolarHBondContact O-N 2.8Å; Q445-T448 VanDerWaalsContact O-N 3.1Å; Q445-T448 PolarHBondContact O-OG1 3.5Å
446	G	97.2	Very high	97.5	Very high	11 Å²	11	60.8 Å²	60.8	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-15.7	173.7	0	0	0	0	0	115.3	Y367 Y444 P450	Y367-G446 WeakPolarHBondContact OH-CA 3.41Å; Y367-G446 PolarHBondContact OH-O 3.01Å; Y444-G446 PolarHBondContact O-N 3.46Å; Y444-G446 VanDerWaalsContact O-N 3.11Å; G446-P450 WeakPolarHBondContact O-CD 3.5Å
447	D	97.8	Very high	97.4	Very high	30 Å²	30	59.7 Å²	59.7	16%	0.16	28%	0.284	C	S	.	.	H	α-helix	trans	-77.5	-24.5	172.2	-59.9	-57.4	0	0	0	111.9	K435 W443 Y444 Q445 V451 Y457	K435-D447 IonicContact NZ-OD1 2.64Å; K435-D447 IonicContact NZ-OD2 3.54Å; K435-D447 PolarHBondContact NZ-OD2 3.4Å; W443-D447 HydrophobicContact CD2-CB 4.06Å; W443-D447 HydrophobicContact CE3-CB 4.45Å; W443-D447 HydrophobicContact CH2-CB 3.89Å; W443-D447 VanDerWaalsContact CZ2-C 3.44Å; W443-D447 HydrophobicContact CZ2-CB 3.46Å; W443-D447 VanDerWaalsContact CZ2-CB 3.46Å; W443-D447 WeakPolarHBondContact CZ2-O 3.21Å; W443-D447 HydrophobicContact CZ3-CB 4.37Å; Y444-D447 WeakPolarHBondContact CB-OD2 3.27Å; Y444-D447 PolarHBondContact N-OD2 3.46Å; Y444-D447 VanDerWaalsContact O-CB 3.29Å; Y444-D447 WeakPolarHBondContact O-CB 3.3Å; Y444-D447 PolarHBondContact O-N 3.05Å; Q445-D447 PolarHBondContact O-N 3.08Å; D447-V451 WeakPolarHBondContact O-CG2 3.21Å; D447-Y457 HydrophobicContact CB-CE2 4.25Å
448	T	98.6	Very high	97.4	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-70.4	-37.2	178.6	-48	0	0	0	0	111.7	A396 I401 W443 Q445 V451	A396-T448 HydrophobicContact CB-CG2 4.31Å; A396-T448 WeakPolarHBondContact O-CG2 3.39Å; I401-T448 HydrophobicContact CB-CG2 4.13Å; W443-T448 PolarHBondContact NE1-OG1 3.19Å; Q445-T448 WeakPolarHBondContact O-CB 3.45Å; Q445-T448 PolarHBondContact O-N 2.8Å; Q445-T448 VanDerWaalsContact O-N 3.1Å; Q445-T448 PolarHBondContact O-OG1 3.5Å; T448-V451 VanDerWaalsContact O-CB 3.28Å; T448-V451 WeakPolarHBondContact O-CB 3.49Å; T448-V451 PolarHBondContact O-N 2.61Å
449	I	98.2	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-47.2	-168.2	-48.1	-54.8	0	0	0	112.8	W358 L360 Y367 Y393 Y397 V451 G452	W358-I449 HydrophobicContact CE3-CG2 4.09Å; W358-I449 HydrophobicContact CH2-CD1 3.74Å; W358-I449 HydrophobicContact CH2-CG1 4.46Å; W358-I449 HydrophobicContact CZ3-CD1 3.63Å; W358-I449 HydrophobicContact CZ3-CG1 3.88Å; W358-I449 HydrophobicContact CZ3-CG2 4.01Å; L360-I449 HydrophobicContact CD1-CD1 4.2Å; L360-I449 HydrophobicContact CD1-CG1 4.29Å; Y367-I449 HydrophobicContact CD1-CB 4.03Å; Y367-I449 HydrophobicContact CD1-CG2 3.62Å; Y367-I449 HydrophobicContact CD2-CB 4.37Å; Y367-I449 HydrophobicContact CD2-CG2 3.79Å; Y367-I449 HydrophobicContact CE1-CB 3.66Å; Y367-I449 HydrophobicContact CE1-CG1 4.39Å; Y367-I449 HydrophobicContact CE1-CG2 3.81Å; Y367-I449 HydrophobicContact CE2-CB 4.06Å; Y367-I449 HydrophobicContact CE2-CG1 4Å; Y367-I449 HydrophobicContact CE2-CG2 4Å; Y367-I449 HydrophobicContact CG-CB 4.37Å; Y367-I449 HydrophobicContact CG-CG2 3.61Å; Y393-I449 HydrophobicContact CD1-CG2 3.49Å; Y393-I449 VanDerWaalsContact CD1-CG2 3.49Å; Y393-I449 HydrophobicContact CE1-CG2 4.3Å; Y393-I449 HydrophobicContact CG-CG2 3.72Å; Y397-I449 HydrophobicContact CD2-CD1 4.29Å; I449-V451 PolarHBondContact O-N 2.92Å; I449-G452 PolarHBondContact O-N 3.24Å
450	P	97.6	Very high	97.5	Very high	29 Å²	29	41.9 Å²	41.9	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-25.7	176	-21.6	35	0	0	0	113.9	Y367 G446 G452 I453 G454 Q455	Y367-P450 HydrophobicContact CE1-CG 3.96Å; G446-P450 WeakPolarHBondContact O-CD 3.5Å; P450-G452 PolarHBondContact O-N 2.86Å; P450-I453 VanDerWaalsContact O-CG1 3.24Å; P450-I453 WeakPolarHBondContact O-CG1 3.47Å; P450-I453 PolarHBondContact O-N 2.95Å; P450-G454 PolarHBondContact O-N 3.43Å; P450-Q455 CarbonylContact C-O 3.55Å; P450-Q455 HydrophobicContact CB-CB 4.13Å; P450-Q455 CarbonylContact O-C 3.58Å; P450-Q455 WeakPolarHBondContact O-CA 3.3Å; P450-Q455 WeakPolarHBondContact O-CB 3.18Å; P450-Q455 PolarHBondContact O-N 3.39Å
451	V	98.3	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-32.7	179.3	-174.2	0	0	0	0	110.4	I401 L404 P430 W443 D447 T448 I449 I453 G454 W458	I401-V451 HydrophobicContact CD1-CG1 4.36Å; I401-V451 HydrophobicContact CD1-CG2 4.27Å; L404-V451 HydrophobicContact CD2-CB 3.93Å; L404-V451 HydrophobicContact CD2-CG1 3.63Å; L404-V451 HydrophobicContact CG-CG1 4.24Å; P430-V451 HydrophobicContact CG-CG1 4.36Å; P430-V451 HydrophobicContact CG-CG2 3.89Å; W443-V451 HydrophobicContact CH2-CG2 4.48Å; W443-V451 HydrophobicContact CZ2-CG2 4.48Å; D447-V451 WeakPolarHBondContact O-CG2 3.21Å; T448-V451 VanDerWaalsContact O-CB 3.28Å; T448-V451 WeakPolarHBondContact O-CB 3.49Å; T448-V451 PolarHBondContact O-N 2.61Å; I449-V451 PolarHBondContact O-N 2.92Å; V451-I453 PolarHBondContact O-N 3.07Å; V451-I453 VanDerWaalsContact O-N 3.09Å; V451-G454 PolarHBondContact O-N 3.46Å; V451-W458 HydrophobicContact CG1-CD2 4.46Å; V451-W458 HydrophobicContact CG1-CE3 3.6Å; V451-W458 HydrophobicContact CG1-CZ3 4.16Å; V451-W458 VanDerWaalsContact O-CZ3 3.25Å; V451-W458 WeakPolarHBondContact O-CZ3 3.33Å
452	G	97.8	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27	175.9	0	0	0	0	0	115.1	F392 I449 P450	F392-G452 WeakPolarHBondContact CB-O 3.22Å; I449-G452 PolarHBondContact O-N 3.24Å; P450-G452 PolarHBondContact O-N 2.86Å
453	I	97.8	Very high	97.7	Very high	16 Å²	16	25 Å²	25	8%	0.082	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	17.6	179.2	64.7	160.6	0	0	0	112.6	A329 S330 D389 F392 Y393 P450 V451 Q455	A329-I453 CarbonylContact C-O 3.6Å; A329-I453 WeakPolarHBondContact CA-O 3.22Å; S330-I453 PolarHBondContact N-O 3.33Å; D389-I453 HydrophobicContact CB-CG2 4.01Å; F392-I453 HydrophobicContact CB-CG2 3.88Å; Y393-I453 HydrophobicContact CD1-CG2 3.98Å; Y393-I453 HydrophobicContact CE1-CB 4.41Å; Y393-I453 HydrophobicContact CE1-CD1 3.59Å; Y393-I453 HydrophobicContact CE1-CG1 3.82Å; Y393-I453 HydrophobicContact CE1-CG2 3.72Å; Y393-I453 WeakPolarHBondContact OH-CD1 3.49Å; P450-I453 VanDerWaalsContact O-CG1 3.24Å; P450-I453 WeakPolarHBondContact O-CG1 3.47Å; P450-I453 PolarHBondContact O-N 2.95Å; V451-I453 PolarHBondContact O-N 3.07Å; V451-I453 VanDerWaalsContact O-N 3.09Å; I453-Q455 HydrophobicContact CD1-CB 4.33Å; I453-Q455 HydrophobicContact CD1-CG 3.93Å; I453-Q455 HydrophobicContact CG1-CB 4.09Å; I453-Q455 HydrophobicContact CG1-CG 3.97Å
454	G	97.7	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	26.2	178.1	0	0	0	0	0	114.4	P328 A329 P450 V451	P328-G454 WeakPolarHBondContact CD-O 3.42Å; A329-G454 WeakPolarHBondContact CA-O 3.36Å; A329-G454 PolarHBondContact N-O 3.07Å; P450-G454 PolarHBondContact O-N 3.43Å; V451-G454 PolarHBondContact O-N 3.46Å
455	Q	94.8	Very high	97.8	Very high	31 Å²	31	18.1 Å²	18.1	15%	0.145	11%	0.105	C	C	.	.			trans	-121.2	-168.2	-178.7	-65.1	-72.7	6.2	0	0	111	P327 P450 I453 W458 T547	P327-Q455 VanDerWaalsContact CB-OE1 3.25Å; P450-Q455 CarbonylContact C-O 3.55Å; P450-Q455 HydrophobicContact CB-CB 4.13Å; P450-Q455 CarbonylContact O-C 3.58Å; P450-Q455 WeakPolarHBondContact O-CA 3.3Å; P450-Q455 WeakPolarHBondContact O-CB 3.18Å; P450-Q455 PolarHBondContact O-N 3.39Å; I453-Q455 HydrophobicContact CD1-CB 4.33Å; I453-Q455 HydrophobicContact CD1-CG 3.93Å; I453-Q455 HydrophobicContact CG1-CB 4.09Å; I453-Q455 HydrophobicContact CG1-CG 3.97Å; Q455-W458 PolarHBondContact O-N 2.72Å; Q455-T547 PolarHBondContact NE2-O 3.4Å
456	G	94.5	Very high	97.9	Very high	51 Å²	51	13.5 Å²	13.5	53%	0.526	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-122.9	-178.2	0	0	0	0	0	110.7	W458	G456-W458 VanDerWaalsContact C-N 3.32Å
457	Y	96.9	Very high	98	Very high	73 Å²	73	13.4 Å²	13.4	29%	0.286	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.5	177.1	-64	-61.2	0	0	0	113.5	N428 W434 K435 F439 W443 D447 T459	N428-Y457 PolarHBondContact ND2-O 2.8Å; W434-Y457 AromaticContact CH2-CD1 3.58Å; W434-Y457 HydrophobicContact CH2-CD1 3.58Å; W434-Y457 HydrophobicContact CH2-CD2 4.43Å; W434-Y457 HydrophobicContact CH2-CE1 4.33Å; W434-Y457 AromaticContact CH2-CG 3.64Å; W434-Y457 HydrophobicContact CH2-CG 3.64Å; W434-Y457 AromaticContact CZ3-CD1 3.92Å; W434-Y457 HydrophobicContact CZ3-CD1 3.92Å; W434-Y457 AromaticContact CZ3-CD2 3.92Å; W434-Y457 HydrophobicContact CZ3-CD2 3.92Å; W434-Y457 AromaticContact CZ3-CG 3.55Å; W434-Y457 HydrophobicContact CZ3-CG 3.55Å; K435-Y457 HydrophobicContact CD-CE2 4.37Å; F439-Y457 HydrophobicContact CE2-CD1 4.28Å; F439-Y457 AromaticContact CE2-CE1 3.74Å; F439-Y457 HydrophobicContact CE2-CE1 3.74Å; F439-Y457 HydrophobicContact CZ-CE1 4.09Å; W443-Y457 HydrophobicContact CH2-CD2 4.02Å; W443-Y457 HydrophobicContact CZ3-CD2 4.06Å; D447-Y457 HydrophobicContact CB-CE2 4.25Å; Y457-T459 PolarHBondContact O-N 3.28Å
458	W	98.2	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.			trans	-76.8	121.9	-178.5	-169.3	-4.1	0	0	0	111.1	P328 V332 V336 M408 Y413 N428 M429 V451 Q455 G456	P328-W458 HydrophobicContact CG-CD2 4Å; P328-W458 HydrophobicContact CG-CG 4.07Å; P328-W458 HydrophobicContact CG-CZ2 4.32Å; V332-W458 HydrophobicContact CB-CH2 3.47Å; V332-W458 VanDerWaalsContact CB-CH2 3.47Å; V332-W458 HydrophobicContact CB-CZ2 4.05Å; V332-W458 HydrophobicContact CB-CZ3 3.98Å; V332-W458 HydrophobicContact CG1-CH2 3.5Å; V332-W458 HydrophobicContact CG1-CZ2 3.56Å; V332-W458 HydrophobicContact CG1-CZ3 4.07Å; V332-W458 HydrophobicContact CG2-CE3 4.49Å; V332-W458 HydrophobicContact CG2-CH2 3.74Å; V332-W458 HydrophobicContact CG2-CZ3 3.68Å; V336-W458 HydrophobicContact CG2-CH2 4.38Å; V336-W458 HydrophobicContact CG2-CZ3 4.32Å; M408-W458 HydrophobicContact CB-CH2 4.13Å; M408-W458 HydrophobicContact CB-CZ2 4.2Å; M408-W458 HydrophobicContact CG-CH2 3.48Å; M408-W458 VanDerWaalsContact CG-CH2 3.48Å; M408-W458 HydrophobicContact CG-CZ2 4.05Å; M408-W458 HydrophobicContact CG-CZ3 4.03Å; M408-W458 HydrophobicContact SD-CH2 3.41Å; M408-W458 WeakPolarHBondContact SD-CH2 3.18Å; M408-W458 HydrophobicContact SD-CZ2 4.07Å; M408-W458 HydrophobicContact SD-CZ3 4.3Å; Y413-W458 AromaticContact CD1-CE2 3.98Å; Y413-W458 AromaticContact CD1-CZ2 3.85Å; Y413-W458 HydrophobicContact CD1-CZ2 3.85Å; Y413-W458 AromaticContact CD1-NE1 3.48Å; Y413-W458 HydrophobicContact CD2-CH2 4.45Å; Y413-W458 AromaticContact CD2-CZ2 3.56Å; Y413-W458 HydrophobicContact CD2-CZ2 3.56Å; Y413-W458 HydrophobicContact CE1-CZ2 4.06Å; Y413-W458 AromaticContact CE2-CZ2 3.81Å; Y413-W458 HydrophobicContact CE2-CZ2 3.81Å; Y413-W458 AromaticContact CG-CE2 3.96Å; Y413-W458 AromaticContact CG-CZ2 3.57Å; Y413-W458 HydrophobicContact CG-CZ2 3.57Å; Y413-W458 AromaticContact CG-NE1 3.72Å; N428-W458 WeakPolarHBondContact O-CA 3.3Å; M429-W458 HydrophobicContact CE-CD2 3.43Å; M429-W458 VanDerWaalsContact CE-CD2 3.43Å; M429-W458 HydrophobicContact CE-CE3 3.96Å; M429-W458 HydrophobicContact CE-CG 3.89Å; M429-W458 HydrophobicContact CE-CH2 3.93Å; M429-W458 HydrophobicContact CE-CZ2 3.39Å; M429-W458 HydrophobicContact CE-CZ3 4.18Å; M429-W458 VanDerWaalsContact CE-NE1 3.31Å; V451-W458 HydrophobicContact CG1-CD2 4.46Å; V451-W458 HydrophobicContact CG1-CE3 3.6Å; V451-W458 HydrophobicContact CG1-CZ3 4.16Å; V451-W458 VanDerWaalsContact O-CZ3 3.25Å; V451-W458 WeakPolarHBondContact O-CZ3 3.33Å; Q455-W458 PolarHBondContact O-N 2.72Å; G456-W458 VanDerWaalsContact C-N 3.32Å
459	T	98.4	Very high	98	Very high	34 Å²	34	11.7 Å²	11.7	21%	0.209	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-130.6	147.6	168.6	60.6	0	0	0	0	110.6	V325 Y326 N428 Y457	V325-T459 VanDerWaalsContact CG1-CB 3.42Å; V325-T459 HydrophobicContact CG1-CG2 4.16Å; V325-T459 VanDerWaalsContact CG1-OG1 3.31Å; V325-T459 WeakPolarHBondContact CG1-OG1 3.32Å; Y326-T459 CarbonylContact O-C 3.57Å; Y326-T459 VanDerWaalsContact O-CA 3.31Å; Y326-T459 WeakPolarHBondContact O-CA 3.33Å; N428-T459 WeakPolarHBondContact CB-OG1 3.36Å; N428-T459 PolarHBondContact N-O 3.37Å; N428-T459 PolarHBondContact N-OG1 3.49Å; N428-T459 PolarHBondContact O-N 3.01Å; Y457-T459 PolarHBondContact O-N 3.28Å
460	A	98.6	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-143.4	163.5	-178.8	0	0	0	0	0	111.2	Y326 P328 Y413 M465	Y326-A460 PolarHBondContact N-O 3.22Å; Y326-A460 PolarHBondContact O-N 3.16Å; Y326-A460 VanDerWaalsContact O-O 3.12Å; P328-A460 HydrophobicContact CB-CB 4.12Å; P328-A460 HydrophobicContact CG-CB 4.15Å; Y413-A460 HydrophobicContact CD1-CB 3.61Å; Y413-A460 HydrophobicContact CE1-CB 3.68Å; A460-M465 HydrophobicContact CB-CE 4.27Å
461	T	98.8	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.			trans	-97.8	155.3	171.8	62.6	0	0	0	0	111.5	T322 G324 V325 R425 I463 Q464 M465	T322-T461 WeakPolarHBondContact O-CG2 3.34Å; G324-T461 VanDerWaalsContact O-CA 3.32Å; G324-T461 WeakPolarHBondContact O-CA 3.36Å; G324-T461 WeakPolarHBondContact O-CG2 3.32Å; V325-T461 HydrophobicContact CG2-CG2 4.06Å; R425-T461 HydrophobicContact CB-CG2 4.41Å; R425-T461 WeakPolarHBondContact O-CG2 3.23Å; T461-I463 PolarHBondContact O-N 2.92Å; T461-I463 VanDerWaalsContact OG1-CG2 3.3Å; T461-I463 WeakPolarHBondContact OG1-CG2 3.4Å; T461-Q464 WeakPolarHBondContact O-CB 3.39Å; T461-Q464 PolarHBondContact O-N 3.43Å; T461-Q464 VanDerWaalsContact O-N 3.08Å; T461-Q464 VanDerWaalsContact OG1-CG 3.29Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.34Å; T461-Q464 PolarHBondContact OG1-N 3.42Å; T461-M465 WeakPolarHBondContact O-CG 3.34Å; T461-M465 PolarHBondContact O-N 2.92Å
462	P	98.8	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-55.1	-37	174.1	-28.3	35.8	0	0	0	113.5	A272 V274 R320 A321 G324 Y326 Q464 M465 S466 I590	A272-P462 HydrophobicContact CB-CB 4.32Å; A272-P462 HydrophobicContact CB-CG 3.88Å; V274-P462 HydrophobicContact CG2-CB 4.19Å; R320-P462 VanDerWaalsContact O-CD 3.3Å; R320-P462 WeakPolarHBondContact O-CD 3.45Å; R320-P462 WeakPolarHBondContact O-CG 3.35Å; A321-P462 WeakPolarHBondContact O-CD 3.35Å; G324-P462 WeakPolarHBondContact O-CD 3.36Å; Y326-P462 HydrophobicContact CD2-CG 4.48Å; Y326-P462 HydrophobicContact CE2-CG 4.21Å; P462-Q464 PolarHBondContact O-N 2.8Å; P462-M465 WeakPolarHBondContact O-CB 3.43Å; P462-M465 PolarHBondContact O-N 2.83Å; P462-S466 PolarHBondContact O-N 2.99Å; P462-I590 HydrophobicContact CG-CG2 3.77Å
463	I	98.9	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.5	-35	175.7	-166.1	59.3	0	0	0	112.7	V274 A321 T322 T417 I419 T461 S466 K467 P481	V274-I463 HydrophobicContact CG1-CD1 3.64Å; V274-I463 HydrophobicContact CG2-CD1 4.3Å; A321-I463 WeakPolarHBondContact O-CB 3.48Å; A321-I463 PolarHBondContact O-N 3.44Å; T322-I463 HydrophobicContact CG2-CB 4.32Å; T322-I463 HydrophobicContact CG2-CG2 4.07Å; T417-I463 HydrophobicContact CG2-CB 4.47Å; T417-I463 HydrophobicContact CG2-CG1 4.19Å; T417-I463 HydrophobicContact CG2-CG2 3.93Å; I419-I463 HydrophobicContact CB-CG1 4.46Å; I419-I463 HydrophobicContact CD1-CD1 3.86Å; I419-I463 HydrophobicContact CD1-CG1 3.97Å; I419-I463 HydrophobicContact CG2-CG1 4.47Å; T461-I463 PolarHBondContact O-N 2.92Å; T461-I463 VanDerWaalsContact OG1-CG2 3.3Å; T461-I463 WeakPolarHBondContact OG1-CG2 3.4Å; I463-S466 PolarHBondContact O-N 3.09Å; I463-K467 PolarHBondContact O-N 2.89Å; I463-P481 HydrophobicContact CD1-CB 3.73Å; I463-P481 HydrophobicContact CD1-CG 3.87Å; I463-P481 HydrophobicContact CG1-CB 4.39Å; I463-P481 HydrophobicContact CG1-CG 4Å
464	Q	98.9	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.2	-39.3	170.2	-75.1	174.1	-30.9	0	0	112	Y413 H415 T417 S426 T461 P462 S466 K467 A468	Y413-Q464 HydrophobicContact CD1-CB 4.49Å; H415-Q464 PolarHBondContact O-NE2 3.36Å; T417-Q464 HydrophobicContact CG2-CB 4.25Å; T417-Q464 HydrophobicContact CG2-CG 3.61Å; S426-Q464 VanDerWaalsContact C-NE2 3.33Å; S426-Q464 PolarHBondContact O-NE2 2.98Å; T461-Q464 WeakPolarHBondContact O-CB 3.39Å; T461-Q464 PolarHBondContact O-N 3.43Å; T461-Q464 VanDerWaalsContact O-N 3.08Å; T461-Q464 VanDerWaalsContact OG1-CG 3.29Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.34Å; T461-Q464 PolarHBondContact OG1-N 3.42Å; P462-Q464 PolarHBondContact O-N 2.8Å; Q464-S466 VanDerWaalsContact C-N 3.3Å; Q464-S466 PolarHBondContact O-N 3.11Å; Q464-K467 PolarHBondContact O-N 3.12Å; Q464-A468 WeakPolarHBondContact O-CB 3.19Å; Q464-A468 PolarHBondContact O-N 3.41Å
465	M	98.9	Very high	98.3	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.015	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-38.9	175.3	-61.4	177	-154.8	0	0	111.3	P328 A460 T461 P462 L469 L573 T575 A588	P328-M465 HydrophobicContact CB-CE 3.99Å; A460-M465 HydrophobicContact CB-CE 4.27Å; T461-M465 WeakPolarHBondContact O-CG 3.34Å; T461-M465 PolarHBondContact O-N 2.92Å; P462-M465 WeakPolarHBondContact O-CB 3.43Å; P462-M465 PolarHBondContact O-N 2.83Å; M465-L469 VanDerWaalsContact O-CB 3.26Å; M465-L469 WeakPolarHBondContact O-CB 3.48Å; M465-L469 PolarHBondContact O-N 2.87Å; M465-L573 HydrophobicContact CE-CD2 3.56Å; M465-L573 HydrophobicContact SD-CD2 3.81Å; M465-T575 HydrophobicContact CB-CG2 4.41Å; M465-A588 HydrophobicContact CB-CB 3.94Å
466	S	98.9	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-47.7	173.2	170	0	0	0	0	111.9	T276 P462 I463 Q464 A468 L469 M470	T276-S466 WeakPolarHBondContact CG2-OG 3.35Å; T276-S466 PolarHBondContact OG1-OG 3Å; P462-S466 PolarHBondContact O-N 2.99Å; I463-S466 PolarHBondContact O-N 3.09Å; Q464-S466 VanDerWaalsContact C-N 3.3Å; Q464-S466 PolarHBondContact O-N 3.11Å; S466-A468 PolarHBondContact O-N 2.7Å; S466-L469 WeakPolarHBondContact O-CB 3.46Å; S466-L469 PolarHBondContact O-N 3.21Å; S466-M470 WeakPolarHBondContact O-CG 3.24Å; S466-M470 PolarHBondContact O-N 2.87Å
467	K	98.9	Very high	98.6	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.035	7%	0.068	C	C	.	.	H	α-helix	trans	-56.3	-49.4	175.6	-172.4	171.2	-176.8	171.5	0	111.5	T417 I463 Q464 L469 M470 I471 P481 E501	T417-K467 HydrophobicContact CG2-CB 4.31Å; T417-K467 HydrophobicContact CG2-CD 4.26Å; T417-K467 PolarHBondContact O-NZ 3.21Å; I463-K467 PolarHBondContact O-N 2.89Å; Q464-K467 PolarHBondContact O-N 3.12Å; K467-L469 VanDerWaalsContact C-N 3.34Å; K467-L469 PolarHBondContact O-N 3.49Å; K467-M470 PolarHBondContact O-N 2.74Å; K467-I471 HydrophobicContact CG-CD1 4.31Å; K467-I471 WeakPolarHBondContact O-CG1 3.28Å; K467-I471 PolarHBondContact O-N 3.28Å; K467-P481 HydrophobicContact CB-CG 4.33Å; K467-E501 WeakPolarHBondContact CE-OE2 3.24Å; K467-E501 IonicContact NZ-OE1 2.8Å; K467-E501 PolarHBondContact NZ-OE1 2.94Å; K467-E501 IonicContact NZ-OE2 3.69Å; K467-E501 PolarHBondContact NZ-OE2 3Å
468	A	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-38.8	178.2	0	0	0	0	0	113	Y335 F411 Y413 Q464 S466 I471 L472	Y335-A468 HydrophobicContact CD1-CB 4.47Å; Y335-A468 HydrophobicContact CD2-CB 4.31Å; Y335-A468 HydrophobicContact CE1-CB 4.16Å; Y335-A468 VanDerWaalsContact CE1-O 3.3Å; Y335-A468 WeakPolarHBondContact CE1-O 3.38Å; Y335-A468 HydrophobicContact CE2-CB 4.03Å; F411-A468 HydrophobicContact CB-CB 4.25Å; F411-A468 HydrophobicContact CD1-CB 4.39Å; Y413-A468 HydrophobicContact CD2-CB 4.49Å; Y413-A468 HydrophobicContact CE2-CB 3.6Å; Q464-A468 WeakPolarHBondContact O-CB 3.19Å; Q464-A468 PolarHBondContact O-N 3.41Å; S466-A468 PolarHBondContact O-N 2.7Å; A468-I471 PolarHBondContact O-N 3.38Å; A468-L472 PolarHBondContact O-N 3.11Å; A468-L472 VanDerWaalsContact O-N 3.14Å
469	L	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175.6	-179.4	63	0	0	0	111.9	M465 S466 K467 L472 I473 M519 F577 A586	M465-L469 VanDerWaalsContact O-CB 3.26Å; M465-L469 WeakPolarHBondContact O-CB 3.48Å; M465-L469 PolarHBondContact O-N 2.87Å; S466-L469 WeakPolarHBondContact O-CB 3.46Å; S466-L469 PolarHBondContact O-N 3.21Å; K467-L469 VanDerWaalsContact C-N 3.34Å; K467-L469 PolarHBondContact O-N 3.49Å; L469-L472 PolarHBondContact O-N 2.67Å; L469-I473 HydrophobicContact CD1-CD1 4.26Å; L469-I473 HydrophobicContact CG-CD1 3.92Å; L469-I473 VanDerWaalsContact O-CG1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.3Å; L469-I473 PolarHBondContact O-N 3.48Å; L469-M519 HydrophobicContact CD1-CE 3.9Å; L469-F577 HydrophobicContact CD1-CD1 4.18Å; L469-A586 HydrophobicContact CD2-CB 3.87Å; L469-A586 HydrophobicContact CG-CB 4.3Å
470	M	98.8	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-37.4	176.6	-69.5	-171.2	-69.7	0	0	112.5	T276 P278 S466 K467 L472 I473 N474 P481 A586	T276-M470 HydrophobicContact CG2-CE 4.11Å; T276-M470 HydrophobicContact CG2-SD 4.05Å; P278-M470 HydrophobicContact CB-CG 4.15Å; S466-M470 WeakPolarHBondContact O-CG 3.24Å; S466-M470 PolarHBondContact O-N 2.87Å; K467-M470 PolarHBondContact O-N 2.74Å; M470-L472 VanDerWaalsContact C-N 3.32Å; M470-L472 PolarHBondContact O-N 3.21Å; M470-I473 PolarHBondContact O-N 3.05Å; M470-N474 WeakPolarHBondContact O-CB 3.38Å; M470-N474 PolarHBondContact O-N 3.41Å; M470-N474 PolarHBondContact O-ND2 2.9Å; M470-P481 HydrophobicContact CE-CB 3.87Å; M470-P481 HydrophobicContact CE-CG 4.39Å; M470-A586 HydrophobicContact CG-CB 4.45Å
471	I	98.8	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.7	-44.5	173.8	-67.5	167.8	0	0	0	110.5	F411 K467 A468 N474 D475 G476 V478 V504	F411-I471 HydrophobicContact CD1-CB 4.08Å; F411-I471 HydrophobicContact CD1-CD1 4.42Å; F411-I471 HydrophobicContact CD1-CG2 3.75Å; F411-I471 HydrophobicContact CE1-CB 4.27Å; F411-I471 HydrophobicContact CE1-CG2 3.66Å; K467-I471 HydrophobicContact CG-CD1 4.31Å; K467-I471 WeakPolarHBondContact O-CG1 3.28Å; K467-I471 PolarHBondContact O-N 3.28Å; A468-I471 PolarHBondContact O-N 3.38Å; I471-N474 CarbonylContact O-C 3.23Å; I471-N474 PolarHBondContact O-N 3.46Å; I471-D475 PolarHBondContact O-N 3.29Å; I471-G476 PolarHBondContact O-N 3.03Å; I471-V478 HydrophobicContact CD1-CB 4.48Å; I471-V478 HydrophobicContact CD1-CG1 3.92Å; I471-V478 HydrophobicContact CD1-CG2 4.04Å; I471-V478 HydrophobicContact CG1-CB 4.31Å; I471-V478 HydrophobicContact CG1-CG1 4.05Å; I471-V478 HydrophobicContact CG1-CG2 4.08Å; I471-V504 HydrophobicContact CD1-CG2 4.4Å; I471-V504 HydrophobicContact CG2-CB 4.08Å; I471-V504 HydrophobicContact CG2-CG2 3.85Å
472	L	98.8	Very high	98.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-43	176.5	173.4	63	0	0	0	112.2	P334 Y335 V338 A468 L469 M470 N474 D475 W512 A515 K516 M519	P334-L472 HydrophobicContact CB-CD2 3.62Å; Y335-L472 HydrophobicContact CD1-CB 4.11Å; Y335-L472 HydrophobicContact CD1-CD2 4.21Å; Y335-L472 HydrophobicContact CE1-CB 3.9Å; Y335-L472 HydrophobicContact CE1-CD2 3.87Å; V338-L472 HydrophobicContact CG2-CD1 4.05Å; A468-L472 PolarHBondContact O-N 3.11Å; A468-L472 VanDerWaalsContact O-N 3.14Å; L469-L472 PolarHBondContact O-N 2.67Å; M470-L472 VanDerWaalsContact C-N 3.32Å; M470-L472 PolarHBondContact O-N 3.21Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 3.01Å; L472-D475 PolarHBondContact O-N 3.42Å; L472-W512 HydrophobicContact CD1-CE3 4.07Å; L472-A515 HydrophobicContact CD1-CB 3.98Å; L472-K516 HydrophobicContact CD1-CG 4.1Å; L472-K516 HydrophobicContact CG-CG 4.06Å; L472-M519 HydrophobicContact CD2-SD 3.47Å; L472-M519 WeakPolarHBondContact CD2-SD 3.36Å
473	I	98.7	Very high	98.7	Very high	12 Å²	12	12 Å²	12	6%	0.062	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-41.2	179.8	-71.9	164	0	0	0	111.2	P278 L469 M470 D475 F577 P583 A586	P278-I473 HydrophobicContact CB-CB 4.22Å; P278-I473 HydrophobicContact CB-CD1 4.05Å; P278-I473 HydrophobicContact CB-CG2 3.67Å; P278-I473 HydrophobicContact CG-CD1 4.33Å; P278-I473 HydrophobicContact CG-CG2 3.96Å; L469-I473 HydrophobicContact CD1-CD1 4.26Å; L469-I473 HydrophobicContact CG-CD1 3.92Å; L469-I473 VanDerWaalsContact O-CG1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.3Å; L469-I473 PolarHBondContact O-N 3.48Å; M470-I473 PolarHBondContact O-N 3.05Å; I473-D475 VanDerWaalsContact C-N 3.3Å; I473-D475 PolarHBondContact O-N 2.85Å; I473-F577 HydrophobicContact CD1-CB 3.54Å; I473-F577 HydrophobicContact CD1-CD1 3.87Å; I473-F577 HydrophobicContact CD1-CD2 4.41Å; I473-F577 HydrophobicContact CD1-CG 3.71Å; I473-F577 HydrophobicContact CG1-CB 4.32Å; I473-F577 HydrophobicContact CG1-CD1 3.83Å; I473-F577 HydrophobicContact CG1-CD2 4.34Å; I473-F577 HydrophobicContact CG1-CE1 4.14Å; I473-F577 HydrophobicContact CG1-CG 3.93Å; I473-P583 HydrophobicContact CG2-CB 3.78Å; I473-P583 HydrophobicContact CG2-CG 3.83Å; I473-A586 HydrophobicContact CD1-CB 3.68Å
474	N	98.6	Very high	98.7	Very high	35 Å²	35	12.5 Å²	12.5	19%	0.187	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	26.2	-178.6	-60	-58.5	0	0	0	113.4	P278 M470 I471 L472 G476 I477 K479	P278-N474 PolarHBondContact O-ND2 2.96Å; P278-N474 PolarHBondContact O-OD1 3.05Å; M470-N474 WeakPolarHBondContact O-CB 3.38Å; M470-N474 PolarHBondContact O-N 3.41Å; M470-N474 PolarHBondContact O-ND2 2.9Å; I471-N474 CarbonylContact O-C 3.23Å; I471-N474 PolarHBondContact O-N 3.46Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 3.01Å; N474-G476 VanDerWaalsContact C-N 3.27Å; N474-G476 PolarHBondContact O-N 3.05Å; N474-G476 VanDerWaalsContact O-N 3.13Å; N474-I477 HydrophobicContact CB-CB 3.96Å; N474-I477 WeakPolarHBondContact O-CB 3.19Å; N474-I477 WeakPolarHBondContact O-CG1 3.43Å; N474-I477 PolarHBondContact O-N 3.38Å; N474-K479 WeakPolarHBondContact ND2-CE 3.44Å
475	D	98.5	Very high	98.7	Very high	56 Å²	56	16.2 Å²	16.2	30%	0.299	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.7	171.1	-58.2	-30.9	0	0	0	114.3	I471 L472 I473 I507 W512 K516	I471-D475 PolarHBondContact O-N 3.29Å; L472-D475 PolarHBondContact O-N 3.42Å; I473-D475 VanDerWaalsContact C-N 3.3Å; I473-D475 PolarHBondContact O-N 2.85Å; D475-I507 WeakPolarHBondContact O-CA 3.33Å; D475-I507 WeakPolarHBondContact O-CG2 3.46Å; D475-W512 VanDerWaalsContact C-CE2 3.45Å; D475-W512 HydrophobicContact CB-CB 4.16Å; D475-W512 HydrophobicContact CB-CD2 4.38Å; D475-W512 HydrophobicContact CB-CG 3.84Å; D475-W512 PolarHBondContact O-NE1 3.45Å; D475-W512 WeakPolarHBondContact OD1-CB 3.3Å; D475-K516 IonicContact OD1-NZ 2.95Å; D475-K516 PolarHBondContact OD1-NZ 2.78Å; D475-K516 IonicContact OD2-NZ 3.31Å
476	G	98.3	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-11.5	179	0	0	0	0	0	114.6	I471 N474 V478 P503 V504 W512	I471-G476 PolarHBondContact O-N 3.03Å; N474-G476 VanDerWaalsContact C-N 3.27Å; N474-G476 PolarHBondContact O-N 3.05Å; N474-G476 VanDerWaalsContact O-N 3.13Å; G476-V478 PolarHBondContact O-N 3.37Å; G476-P503 CarbonylContact O-C 3.52Å; G476-P503 VanDerWaalsContact O-CA 3.31Å; G476-P503 WeakPolarHBondContact O-CA 3.43Å; G476-V504 WeakPolarHBondContact CA-O 3.49Å; G476-V504 PolarHBondContact O-N 2.77Å; G476-W512 VanDerWaalsContact CA-CH2 3.46Å
477	I	98.4	Very high	98.6	Very high	65 Å²	65	17.1 Å²	17.1	33%	0.333	9%	0.088	S	C	.	.			trans	-69.1	123.8	175	-57.8	-59.7	0	0	0	110.1	N474 P503 I507	N474-I477 HydrophobicContact CB-CB 3.96Å; N474-I477 WeakPolarHBondContact O-CB 3.19Å; N474-I477 WeakPolarHBondContact O-CG1 3.43Å; N474-I477 PolarHBondContact O-N 3.38Å; I477-P503 HydrophobicContact CD1-CB 4.13Å; I477-P503 HydrophobicContact CD1-CG 3.86Å; I477-I507 HydrophobicContact CD1-CG2 4.02Å
478	V	98.6	Very high	98.4	Very high	11 Å²	11	17.7 Å²	17.7	7%	0.067	9%	0.094	C	C	.	.			trans	-88.4	121	-179.5	-166.5	0	0	0	0	110.6	I471 G476 E501 P502 V504	I471-V478 HydrophobicContact CD1-CB 4.48Å; I471-V478 HydrophobicContact CD1-CG1 3.92Å; I471-V478 HydrophobicContact CD1-CG2 4.04Å; I471-V478 HydrophobicContact CG1-CB 4.31Å; I471-V478 HydrophobicContact CG1-CG1 4.05Å; I471-V478 HydrophobicContact CG1-CG2 4.08Å; G476-V478 PolarHBondContact O-N 3.37Å; V478-E501 HydrophobicContact CB-CB 4.01Å; V478-E501 HydrophobicContact CG1-CB 4.2Å; V478-E501 WeakPolarHBondContact CG1-OE2 3.38Å; V478-P502 WeakPolarHBondContact CG2-O 3.23Å; V478-V504 HydrophobicContact CG2-CG2 3.72Å
479	K	98.5	Very high	98.1	Very high	48 Å²	48	21.3 Å²	21.3	21%	0.209	11%	0.111	C	C	.	.			trans	-116.7	128.5	171.2	-62.8	177	-170.5	-82.1	0	108.2	P278 R279 N474	P278-K479 WeakPolarHBondContact O-CD 3.25Å; P278-K479 VanDerWaalsContact O-CE 3.31Å; P278-K479 WeakPolarHBondContact O-CE 3.41Å; R279-K479 WeakPolarHBondContact O-CE 3.36Å; R279-K479 PolarHBondContact O-NZ 2.71Å; N474-K479 WeakPolarHBondContact ND2-CE 3.44Å
480	V	98.7	Very high	97.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.153	C	C	.	.			trans	-75.5	125.7	178.2	168.1	0	0	0	0	107.8	G418 H482 W496 Q498 E501	G418-V480 VanDerWaalsContact C-CG1 3.43Å; G418-V480 WeakPolarHBondContact O-CG1 3.39Å; V480-H482 PolarHBondContact O-N 3.06Å; V480-H482 PolarHBondContact O-ND1 2.83Å; V480-H482 VanDerWaalsContact O-ND1 3.1Å; V480-W496 HydrophobicContact CB-CH2 4.07Å; V480-W496 HydrophobicContact CB-CZ2 4.23Å; V480-W496 HydrophobicContact CG1-CH2 4.49Å; V480-W496 HydrophobicContact CG1-CZ2 4.19Å; V480-Q498 VanDerWaalsContact CG2-NE2 3.29Å; V480-E501 HydrophobicContact CG2-CG 4.46Å; V480-E501 WeakPolarHBondContact CG2-OE1 3.35Å
481	P	98.9	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.192	C	C	.	.			trans	-62.6	122.9	170.9	26.4	-31.6	0	0	0	109.1	G281 V283 I419 I463 K467 M470	G281-P481 VanDerWaalsContact O-CA 3.25Å; G281-P481 WeakPolarHBondContact O-CA 3.47Å; V283-P481 HydrophobicContact CG2-CB 4.05Å; I419-P481 WeakPolarHBondContact CA-O 3.24Å; I419-P481 WeakPolarHBondContact CB-O 3.27Å; I463-P481 HydrophobicContact CD1-CB 3.73Å; I463-P481 HydrophobicContact CD1-CG 3.87Å; I463-P481 HydrophobicContact CG1-CB 4.39Å; I463-P481 HydrophobicContact CG1-CG 4Å; K467-P481 HydrophobicContact CB-CG 4.33Å; M470-P481 HydrophobicContact CE-CB 3.87Å; M470-P481 HydrophobicContact CE-CG 4.39Å
482	H	98.9	Very high	96.2	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.056	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-138	154.3	-177.4	63.4	-89.2	0	0	0	111.2	T253 T280 G281 V283 V480 L484 W496	T253-H482 PolarHBondContact OG1-O 3.2Å; T280-H482 PolarHBondContact O-CE1 3.07Å; G281-H482 PolarHBondContact O-N 2.73Å; G281-H482 VanDerWaalsContact O-N 3.13Å; V283-H482 WeakPolarHBondContact CG2-O 3.23Å; V283-H482 PolarHBondContact N-O 2.9Å; V480-H482 PolarHBondContact O-N 3.06Å; V480-H482 PolarHBondContact O-ND1 2.83Å; V480-H482 VanDerWaalsContact O-ND1 3.1Å; H482-L484 PolarHBondContact CD2-O 2.95Å; H482-W496 HydrophobicContact CB-CD2 4.2Å; H482-W496 HydrophobicContact CB-CH2 4.15Å; H482-W496 HydrophobicContact CB-CZ2 3.72Å; H482-W496 AromaticContact CD2-CD2 3.92Å; H482-W496 AromaticContact CD2-CE3 3.92Å; H482-W496 AromaticContact CE1-CE3 3.56Å; H482-W496 AromaticContact CE1-CH2 3.95Å; H482-W496 AromaticContact CE1-CZ3 3.37Å; H482-W496 WeakPolarHBondContact CE1-CZ3 3.43Å; H482-W496 AromaticContact CG-CD2 3.79Å; H482-W496 AromaticContact CG-CE2 3.79Å; H482-W496 AromaticContact CG-CE3 3.82Å; H482-W496 AromaticContact CG-CH2 3.82Å; H482-W496 AromaticContact CG-CZ2 3.83Å; H482-W496 AromaticContact CG-CZ3 3.84Å; H482-W496 AromaticContact ND1-CE3 3.63Å; H482-W496 AromaticContact ND1-CH2 3.32Å; H482-W496 VanDerWaalsContact ND1-CH2 3.32Å; H482-W496 WeakPolarHBondContact ND1-CH2 2.95Å; H482-W496 AromaticContact ND1-CZ2 3.82Å; H482-W496 AromaticContact ND1-CZ3 3.23Å; H482-W496 WeakPolarHBondContact ND1-CZ3 3.39Å; H482-W496 AromaticContact NE2-CE3 3.77Å
483	L	98.9	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.			trans	-101.6	-33.1	177.9	-69.2	154.7	0	0	0	111.7	V175 I210 L252 T253 L254 V283 I419 D420 L421 M485	V175-L483 HydrophobicContact CG2-CD1 3.6Å; V175-L483 HydrophobicContact CG2-CD2 3.46Å; V175-L483 VanDerWaalsContact CG2-CD2 3.46Å; V175-L483 HydrophobicContact CG2-CG 4.2Å; I210-L483 HydrophobicContact CD1-CB 3.74Å; I210-L483 HydrophobicContact CD1-CD1 3.76Å; I210-L483 HydrophobicContact CD1-CG 4.38Å; I210-L483 HydrophobicContact CG1-CB 4.43Å; I210-L483 HydrophobicContact CG1-CD1 4.02Å; L252-L483 CarbonylContact C-O 3.56Å; L252-L483 WeakPolarHBondContact CA-O 3.37Å; L252-L483 WeakPolarHBondContact CB-O 3.19Å; L252-L483 HydrophobicContact CD2-CB 4.42Å; T253-L483 PolarHBondContact N-O 3.47Å; T253-L483 WeakPolarHBondContact OG1-CA 3.34Å; T253-L483 PolarHBondContact OG1-O 3.41Å; L254-L483 HydrophobicContact CD1-CD2 4.11Å; L254-L483 HydrophobicContact CD2-CD2 3.8Å; L254-L483 HydrophobicContact CG-CD2 3.75Å; V283-L483 HydrophobicContact CB-CD2 3.82Å; V283-L483 HydrophobicContact CB-CG 4.28Å; V283-L483 HydrophobicContact CG1-CD2 3.82Å; I419-L483 HydrophobicContact CD1-CD1 4.28Å; I419-L483 HydrophobicContact CG1-CD1 4.42Å; D420-L483 VanDerWaalsContact CG-N 3.31Å; D420-L483 VanDerWaalsContact OD1-CB 3.31Å; D420-L483 WeakPolarHBondContact OD1-CB 3.43Å; D420-L483 PolarHBondContact OD1-N 2.96Å; D420-L483 PolarHBondContact OD2-N 3.14Å; L421-L483 HydrophobicContact CD1-CD1 3.87Å; L421-L483 HydrophobicContact CD2-CD1 3.71Å; L421-L483 HydrophobicContact CG-CD1 3.64Å; L483-M485 PolarHBondContact O-N 3.04Å
484	L	98.7	Very high	95.8	Very high	11 Å²	11	46.1 Å²	46.1	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.6	-179.9	-177.8	70.8	0	0	0	111.1	Y214 I250 D420 H482 S486 W496	Y214-L484 HydrophobicContact CE1-CD2 3.74Å; Y214-L484 HydrophobicContact CE2-CB 3.91Å; Y214-L484 WeakPolarHBondContact OH-CB 3.25Å; Y214-L484 WeakPolarHBondContact OH-CD2 3.44Å; I250-L484 HydrophobicContact CB-CD1 3.89Å; I250-L484 HydrophobicContact CG2-CD1 4.22Å; D420-L484 WeakPolarHBondContact OD2-CB 3.24Å; D420-L484 PolarHBondContact OD2-N 3.47Å; H482-L484 PolarHBondContact CD2-O 2.95Å; L484-S486 WeakPolarHBondContact CD1-O 3.33Å; L484-W496 HydrophobicContact CB-CB 4.42Å; L484-W496 HydrophobicContact CD2-CB 4.3Å; L484-W496 HydrophobicContact CG-CB 4.29Å; L484-W496 WeakPolarHBondContact O-CB 3.39Å
485	M	98.4	Very high	95.8	Very high	78 Å²	78	48.5 Å²	48.5	38%	0.384	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-51.2	168.1	-174.2	170.4	60.4	0	0	110.5	Y251 T253 L483 W496	Y251-M485 WeakPolarHBondContact O-CA 3.36Å; Y251-M485 VanDerWaalsContact O-CB 3.29Å; Y251-M485 WeakPolarHBondContact O-CB 3.49Å; Y251-M485 PolarHBondContact O-N 2.78Å; T253-M485 HydrophobicContact CG2-CB 3.98Å; L483-M485 PolarHBondContact O-N 3.04Å; M485-W496 PolarHBondContact O-N 3.45Å
486	S	97.9	Very high	95.7	Very high	13 Å²	13	48.5 Å²	48.5	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	158.7	177.7	58.2	0	0	0	0	113	Y251 L484 Q493 V494	Y251-S486 PolarHBondContact N-O 3.29Å; Y251-S486 PolarHBondContact O-N 2.77Å; L484-S486 WeakPolarHBondContact CD1-O 3.33Å; S486-Q493 PolarHBondContact OG-OE1 3.14Å; S486-V494 CarbonylContact C-O 3.54Å; S486-V494 WeakPolarHBondContact CA-O 3.49Å; S486-V494 WeakPolarHBondContact CB-O 3.34Å
487	T	98	Very high	95.7	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.1	171.1	-56.5	0	0	0	0	109.1	H248 I250 E489 V494	H248-T487 HydrophobicContact CB-CG2 3.39Å; I250-T487 HydrophobicContact CG2-CG2 4.33Å; T487-E489 HydrophobicContact CG2-CG 3.88Å; T487-E489 PolarHBondContact O-N 2.94Å; T487-V494 PolarHBondContact N-O 2.95Å; T487-V494 PolarHBondContact O-N 3.12Å
488	A	95.2	Very high	95.6	Very high	20 Å²	20	53.7 Å²	53.7	17%	0.165	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	101.1	173.3	0	0	0	0	0	110.5	H248 D249 Y251	H248-A488 WeakPolarHBondContact CB-O 3.38Å; H248-A488 PolarHBondContact ND1-O 3.21Å; D249-A488 HydrophobicContact CB-CB 4.16Å; D249-A488 PolarHBondContact O-N 3.28Å; Y251-A488 HydrophobicContact CE2-CB 4.27Å
489	E	90.8	Very high	95.6	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.36	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.7	178.2	-61.6	-179.6	-168.5	0	0	109	T487 G491 K492 V494	T487-E489 HydrophobicContact CG2-CG 3.88Å; T487-E489 PolarHBondContact O-N 2.94Å; E489-G491 PolarHBondContact O-N 2.98Å; E489-G491 VanDerWaalsContact O-N 3.12Å; E489-K492 PolarHBondContact N-O 3.28Å; E489-K492 WeakPolarHBondContact O-CA 3.24Å; E489-K492 WeakPolarHBondContact O-CB 3.11Å; E489-K492 PolarHBondContact O-N 3.41Å; E489-V494 HydrophobicContact CB-CG2 4.21Å; E489-V494 HydrophobicContact CG-CG2 4.08Å
490	D	83.6	Confident	95.4	Very high	163 Å²	163	62.5 Å²	62.5	87%	0.872	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.4	179.5	-59.6	-35.2	0	0	0	114.4	K492	D490-K492 VanDerWaalsContact C-N 3.27Å; D490-K492 PolarHBondContact O-N 3.27Å
491	G	82.7	Confident	95.3	Very high	80 Å²	80	65.7 Å²	65.7	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-0.8	-177.5	0	0	0	0	0	114.9	E489	E489-G491 PolarHBondContact O-N 2.98Å; E489-G491 VanDerWaalsContact O-N 3.12Å
492	K	90.8	Very high	95.2	Very high	153 Å²	153	69.9 Å²	69.9	67%	0.665	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.8	173.8	-173.7	-178.8	176.5	-173.2	0	110.7	E489 D490 V494	E489-K492 PolarHBondContact N-O 3.28Å; E489-K492 WeakPolarHBondContact O-CA 3.24Å; E489-K492 WeakPolarHBondContact O-CB 3.11Å; E489-K492 PolarHBondContact O-N 3.41Å; D490-K492 VanDerWaalsContact C-N 3.27Å; D490-K492 PolarHBondContact O-N 3.27Å; K492-V494 PolarHBondContact O-N 3.37Å
493	Q	93.2	Very high	95.1	Very high	87 Å²	87	72.8 Å²	72.8	41%	0.407	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.9	173.3	-66.2	-70.1	-18.2	0	0	110.1	S486	S486-Q493 PolarHBondContact OG-OE1 3.14Å
494	V	96.7	Very high	95	Very high	50 Å²	50	73 Å²	73	30%	0.303	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.1	172.7	-179.4	0	0	0	0	107.8	S486 T487 E489 K492	S486-V494 CarbonylContact C-O 3.54Å; S486-V494 WeakPolarHBondContact CA-O 3.49Å; S486-V494 WeakPolarHBondContact CB-O 3.34Å; T487-V494 PolarHBondContact N-O 2.95Å; T487-V494 PolarHBondContact O-N 3.12Å; E489-V494 HydrophobicContact CB-CG2 4.21Å; E489-V494 HydrophobicContact CG-CG2 4.08Å; K492-V494 PolarHBondContact O-N 3.37Å
495	P	97.3	Very high	94.9	Very high	85 Å²	85	74.4 Å²	74.4	55%	0.552	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	152.3	-177.4	30	-34.8	0	0	0	111.4
496	W	97.8	Very high	94.8	Very high	55 Å²	55	74.7 Å²	74.7	21%	0.208	43%	0.429	C	S	.	.			trans	-62.3	138.3	167.3	179.3	93.8	0	0	0	110.7	V480 H482 L484 M485 Q498	V480-W496 HydrophobicContact CB-CH2 4.07Å; V480-W496 HydrophobicContact CB-CZ2 4.23Å; V480-W496 HydrophobicContact CG1-CH2 4.49Å; V480-W496 HydrophobicContact CG1-CZ2 4.19Å; H482-W496 HydrophobicContact CB-CD2 4.2Å; H482-W496 HydrophobicContact CB-CH2 4.15Å; H482-W496 HydrophobicContact CB-CZ2 3.72Å; H482-W496 AromaticContact CD2-CD2 3.92Å; H482-W496 AromaticContact CD2-CE3 3.92Å; H482-W496 AromaticContact CE1-CE3 3.56Å; H482-W496 AromaticContact CE1-CH2 3.95Å; H482-W496 AromaticContact CE1-CZ3 3.37Å; H482-W496 WeakPolarHBondContact CE1-CZ3 3.43Å; H482-W496 AromaticContact CG-CD2 3.79Å; H482-W496 AromaticContact CG-CE2 3.79Å; H482-W496 AromaticContact CG-CE3 3.82Å; H482-W496 AromaticContact CG-CH2 3.82Å; H482-W496 AromaticContact CG-CZ2 3.83Å; H482-W496 AromaticContact CG-CZ3 3.84Å; H482-W496 AromaticContact ND1-CE3 3.63Å; H482-W496 AromaticContact ND1-CH2 3.32Å; H482-W496 VanDerWaalsContact ND1-CH2 3.32Å; H482-W496 WeakPolarHBondContact ND1-CH2 2.95Å; H482-W496 AromaticContact ND1-CZ2 3.82Å; H482-W496 AromaticContact ND1-CZ3 3.23Å; H482-W496 WeakPolarHBondContact ND1-CZ3 3.39Å; H482-W496 AromaticContact NE2-CE3 3.77Å; L484-W496 HydrophobicContact CB-CB 4.42Å; L484-W496 HydrophobicContact CD2-CB 4.3Å; L484-W496 HydrophobicContact CG-CB 4.29Å; L484-W496 WeakPolarHBondContact O-CB 3.39Å; M485-W496 PolarHBondContact O-N 3.45Å; W496-Q498 VanDerWaalsContact CH2-CA 3.44Å; W496-Q498 HydrophobicContact CH2-CB 3.92Å; W496-Q498 HydrophobicContact CH2-CG 4.46Å; W496-Q498 VanDerWaalsContact CH2-OE1 3.32Å; W496-Q498 HydrophobicContact CZ3-CB 3.65Å
497	V	97.7	Very high	94.6	Very high	113 Å²	113	77.5 Å²	77.5	69%	0.685	44%	0.442	S	S	*	.			trans	-112.6	120	-177.9	-179.3	0	0	0	0	109.1	P499	V497-P499 VanDerWaalsContact O-CD 3.24Å; V497-P499 WeakPolarHBondContact O-CD 3.4Å
498	Q	97.3	Very high	94.5	Very high	61 Å²	61	84.6 Å²	84.6	29%	0.285	47%	0.474	S	S	.	.			trans	-55.6	118.3	173.7	173.3	62.5	61.7	0	0	110.4	V480 W496	V480-Q498 VanDerWaalsContact CG2-NE2 3.29Å; W496-Q498 VanDerWaalsContact CH2-CA 3.44Å; W496-Q498 HydrophobicContact CH2-CB 3.92Å; W496-Q498 HydrophobicContact CH2-CG 4.46Å; W496-Q498 VanDerWaalsContact CH2-OE1 3.32Å; W496-Q498 HydrophobicContact CZ3-CB 3.65Å
499	P	96.7	Very high	94.5	Very high	71 Å²	71	84.5 Å²	84.5	46%	0.461	47%	0.472	S	S	.	.			trans	-58.9	145.6	170.2	-23.1	34.3	0	0	0	110.3	V497 E501	V497-P499 VanDerWaalsContact O-CD 3.24Å; V497-P499 WeakPolarHBondContact O-CD 3.4Å; P499-E501 PolarHBondContact O-N 3.36Å
500	H	95.6	Very high	94.7	Very high	173 Å²	173	83.6 Å²	83.6	80%	0.801	48%	0.484	S	S	*	.			trans	-64.7	110.5	177.7	178.9	71.6	0	0	0	110.7
501	E	95.9	Very high	95.4	Very high	68 Å²	68	80.1 Å²	80.1	32%	0.318	46%	0.459	S	S	.	.			trans	-120.5	122.2	169.6	-69.2	-160.3	-175.6	0	0	109.1	K467 V478 V480 P499	K467-E501 WeakPolarHBondContact CE-OE2 3.24Å; K467-E501 IonicContact NZ-OE1 2.8Å; K467-E501 PolarHBondContact NZ-OE1 2.94Å; K467-E501 IonicContact NZ-OE2 3.69Å; K467-E501 PolarHBondContact NZ-OE2 3Å; V478-E501 HydrophobicContact CB-CB 4.01Å; V478-E501 HydrophobicContact CG1-CB 4.2Å; V478-E501 WeakPolarHBondContact CG1-OE2 3.38Å; V480-E501 HydrophobicContact CG2-CG 4.46Å; V480-E501 WeakPolarHBondContact CG2-OE1 3.35Å; P499-E501 PolarHBondContact O-N 3.36Å
502	P	96.5	Very high	96.2	Very high	89 Å²	89	76.4 Å²	76.4	58%	0.578	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-59.6	145.6	177.3	-25.1	34.4	0	0	0	112.1	V478	V478-P502 WeakPolarHBondContact CG2-O 3.23Å
503	P	97.2	Very high	96.5	Very high	72 Å²	72	73.3 Å²	73.3	47%	0.468	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-59.3	154	172.8	-23.2	33.9	0	0	0	113	G476 I477 I507	G476-P503 CarbonylContact O-C 3.52Å; G476-P503 VanDerWaalsContact O-CA 3.31Å; G476-P503 WeakPolarHBondContact O-CA 3.43Å; I477-P503 HydrophobicContact CD1-CB 4.13Å; I477-P503 HydrophobicContact CD1-CG 3.86Å; P503-I507 HydrophobicContact CB-CG2 4.15Å
504	V	97.9	Very high	96.7	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	39%	0.394	C	S	.	.	S	Bend	trans	-89.5	122.9	173.1	-177.6	0	0	0	0	109.3	W407 K410 F411 I471 G476 V478 W512	W407-V504 HydrophobicContact CE3-CG1 4.26Å; W407-V504 HydrophobicContact CZ3-CG1 4Å; K410-V504 HydrophobicContact CB-CG1 3.89Å; K410-V504 HydrophobicContact CB-CG2 4.05Å; K410-V504 WeakPolarHBondContact O-CG2 3.47Å; F411-V504 HydrophobicContact CD2-CG1 4.35Å; F411-V504 HydrophobicContact CE2-CG1 4.08Å; F411-V504 HydrophobicContact CZ-CG1 4.33Å; I471-V504 HydrophobicContact CD1-CG2 4.4Å; I471-V504 HydrophobicContact CG2-CB 4.08Å; I471-V504 HydrophobicContact CG2-CG2 3.85Å; G476-V504 WeakPolarHBondContact CA-O 3.49Å; G476-V504 PolarHBondContact O-N 2.77Å; V478-V504 HydrophobicContact CG2-CG2 3.72Å; V504-W512 HydrophobicContact CB-CH2 4.28Å; V504-W512 HydrophobicContact CG1-CH2 4.21Å; V504-W512 WeakPolarHBondContact O-CH2 3.36Å; V504-W512 WeakPolarHBondContact O-CZ2 3.25Å
505	G	95.6	Very high	96.8	Very high	42 Å²	42	67.8 Å²	67.8	43%	0.433	38%	0.379	S	S	.	.	S	Bend	trans	67.4	-152.2	173.9	0	0	0	0	0	113.9
506	D	96.1	Very high	96.9	Very high	84 Å²	84	64.8 Å²	64.8	45%	0.449	36%	0.358	S	S	.	.			trans	-105.5	115.2	178.2	176.1	20.4	0	0	0	110.5	H508 S509 W512	D506-H508 PolarHBondContact O-N 3.23Å; D506-H508 IonicContact OD1-CG 3.78Å; D506-H508 PolarHBondContact OD1-N 2.8Å; D506-H508 IonicContact OD1-ND1 3.23Å; D506-H508 PolarHBondContact OD1-ND1 2.89Å; D506-S509 WeakPolarHBondContact O-CB 3.15Å; D506-S509 PolarHBondContact O-N 3.12Å; D506-S509 VanDerWaalsContact O-N 3.16Å; D506-S509 PolarHBondContact O-OG 2.86Å; D506-W512 PolarHBondContact O-NE1 2.89Å
507	I	94.7	Very high	96.9	Very high	71 Å²	71	64.2 Å²	64.2	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.9	-180	68.1	176	0	0	0	112.7	D475 I477 P503 S509	D475-I507 WeakPolarHBondContact O-CA 3.33Å; D475-I507 WeakPolarHBondContact O-CG2 3.46Å; I477-I507 HydrophobicContact CD1-CG2 4.02Å; P503-I507 HydrophobicContact CB-CG2 4.15Å; I507-S509 VanDerWaalsContact C-N 3.35Å
508	H	94.5	Very high	97	Very high	158 Å²	158	58.8 Å²	58.8	73%	0.731	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.1	-179.4	-52.9	96	0	0	0	112.8	D506	D506-H508 PolarHBondContact O-N 3.23Å; D506-H508 IonicContact OD1-CG 3.78Å; D506-H508 PolarHBondContact OD1-N 2.8Å; D506-H508 IonicContact OD1-ND1 3.23Å; D506-H508 PolarHBondContact OD1-ND1 2.89Å
509	S	95.1	Very high	97	Very high	19 Å²	19	55.9 Å²	55.9	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-73	141	179.2	75.1	0	0	0	0	111.3	D506 I507 Y511 W512	D506-S509 WeakPolarHBondContact O-CB 3.15Å; D506-S509 PolarHBondContact O-N 3.12Å; D506-S509 VanDerWaalsContact O-N 3.16Å; D506-S509 PolarHBondContact O-OG 2.86Å; I507-S509 VanDerWaalsContact C-N 3.35Å; S509-Y511 PolarHBondContact O-N 3.25Å; S509-Y511 VanDerWaalsContact O-N 3.07Å; S509-Y511 WeakPolarHBondContact OG-CD2 3.11Å; S509-W512 PolarHBondContact OG-NE1 3.26Å
510	G	96.2	Very high	97.1	Very high	58 Å²	58	54.9 Å²	54.9	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	8.6	174	0	0	0	0	0	114.5	L514	G510-L514 PolarHBondContact O-N 3.14Å
511	Y	98.2	Very high	97.3	Very high	89 Å²	89	46.7 Å²	46.7	35%	0.349	26%	0.262	S	S	.	.	H	α-helix	trans	-76.5	-35.1	-173.2	-55.5	-33	0	0	0	112.7	L341 S509 E513 L514 A515	L341-Y511 HydrophobicContact CB-CD1 3.67Å; L341-Y511 HydrophobicContact CB-CD2 3.87Å; L341-Y511 HydrophobicContact CB-CE1 4.02Å; L341-Y511 HydrophobicContact CB-CE2 4.2Å; L341-Y511 HydrophobicContact CB-CG 3.59Å; L341-Y511 HydrophobicContact CD1-CD1 4.05Å; L341-Y511 HydrophobicContact CD1-CG 4.18Å; L341-Y511 HydrophobicContact CD2-CD1 4.25Å; L341-Y511 HydrophobicContact CD2-CE1 4.41Å; L341-Y511 HydrophobicContact CG-CD1 4.2Å; L341-Y511 HydrophobicContact CG-CG 4.42Å; S509-Y511 PolarHBondContact O-N 3.25Å; S509-Y511 VanDerWaalsContact O-N 3.07Å; S509-Y511 WeakPolarHBondContact OG-CD2 3.11Å; Y511-E513 VanDerWaalsContact C-N 3.34Å; Y511-E513 PolarHBondContact O-N 2.98Å; Y511-L514 PolarHBondContact O-N 2.81Å; Y511-A515 PolarHBondContact O-N 2.75Å; Y511-A515 VanDerWaalsContact O-N 3.09Å
512	W	98.3	Very high	97.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-48.8	175	-49.8	108.4	0	0	0	110.8	V338 F411 L472 D475 G476 V504 D506 S509 L514 A515 K516	V338-W512 HydrophobicContact CB-CZ3 4.45Å; V338-W512 HydrophobicContact CG1-CD2 4.17Å; V338-W512 HydrophobicContact CG1-CE3 3.8Å; V338-W512 HydrophobicContact CG1-CH2 3.8Å; V338-W512 HydrophobicContact CG1-CZ2 4.15Å; V338-W512 HydrophobicContact CG1-CZ3 3.64Å; V338-W512 HydrophobicContact CG2-CE3 4.06Å; V338-W512 HydrophobicContact CG2-CZ3 4.41Å; F411-W512 HydrophobicContact CE1-CZ3 4.02Å; F411-W512 HydrophobicContact CZ-CH2 4.16Å; F411-W512 AromaticContact CZ-CZ3 3.76Å; F411-W512 HydrophobicContact CZ-CZ3 3.76Å; L472-W512 HydrophobicContact CD1-CE3 4.07Å; D475-W512 VanDerWaalsContact C-CE2 3.45Å; D475-W512 HydrophobicContact CB-CB 4.16Å; D475-W512 HydrophobicContact CB-CD2 4.38Å; D475-W512 HydrophobicContact CB-CG 3.84Å; D475-W512 PolarHBondContact O-NE1 3.45Å; D475-W512 WeakPolarHBondContact OD1-CB 3.3Å; G476-W512 VanDerWaalsContact CA-CH2 3.46Å; V504-W512 HydrophobicContact CB-CH2 4.28Å; V504-W512 HydrophobicContact CG1-CH2 4.21Å; V504-W512 WeakPolarHBondContact O-CH2 3.36Å; V504-W512 WeakPolarHBondContact O-CZ2 3.25Å; D506-W512 PolarHBondContact O-NE1 2.89Å; S509-W512 PolarHBondContact OG-NE1 3.26Å; W512-L514 VanDerWaalsContact C-N 3.33Å; W512-L514 PolarHBondContact O-N 3.25Å; W512-A515 PolarHBondContact O-N 2.75Å; W512-K516 WeakPolarHBondContact O-CG 3.48Å; W512-K516 PolarHBondContact O-N 3.22Å
513	E	98.2	Very high	97.5	Very high	88 Å²	88	39.2 Å²	39.2	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-33.7	179.2	-178.6	55.2	-174.7	0	0	112.7	Y511 A515 K516 D517 Y580	Y511-E513 VanDerWaalsContact C-N 3.34Å; Y511-E513 PolarHBondContact O-N 2.98Å; E513-A515 VanDerWaalsContact C-N 3.31Å; E513-A515 PolarHBondContact O-N 3.29Å; E513-K516 PolarHBondContact O-N 2.86Å; E513-K516 WeakPolarHBondContact OE2-CE 3.48Å; E513-D517 WeakPolarHBondContact O-CB 3.44Å; E513-D517 PolarHBondContact O-N 3.33Å; E513-Y580 PolarHBondContact OE1-OH 2.8Å; E513-Y580 PolarHBondContact OE2-OH 3.2Å
514	L	98.2	Very high	97.6	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-38.5	174.4	-172.4	61.1	0	0	0	112.3	L341 R348 V380 T381 G510 Y511 W512 G518	L341-L514 HydrophobicContact CD1-CD2 3.86Å; L341-L514 HydrophobicContact CD2-CD2 4.27Å; R348-L514 HydrophobicContact CB-CD2 3.71Å; V380-L514 HydrophobicContact CG1-CD2 3.68Å; V380-L514 HydrophobicContact CG1-CG 4.16Å; T381-L514 WeakPolarHBondContact OG1-CD1 3.32Å; G510-L514 PolarHBondContact O-N 3.14Å; Y511-L514 PolarHBondContact O-N 2.81Å; W512-L514 VanDerWaalsContact C-N 3.33Å; W512-L514 PolarHBondContact O-N 3.25Å; L514-G518 PolarHBondContact O-N 3.07Å; L514-G518 VanDerWaalsContact O-N 3.15Å
515	A	98.6	Very high	97.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-73.3	-41.5	176.3	0	0	0	0	0	112.1	P334 V338 L384 L472 Y511 W512 E513 G518 M519	P334-A515 HydrophobicContact CB-CB 4.38Å; V338-A515 HydrophobicContact CG2-CB 3.59Å; L384-A515 HydrophobicContact CD1-CB 4.36Å; L472-A515 HydrophobicContact CD1-CB 3.98Å; Y511-A515 PolarHBondContact O-N 2.75Å; Y511-A515 VanDerWaalsContact O-N 3.09Å; W512-A515 PolarHBondContact O-N 2.75Å; E513-A515 VanDerWaalsContact C-N 3.31Å; E513-A515 PolarHBondContact O-N 3.29Å; A515-G518 PolarHBondContact O-N 3.43Å; A515-M519 PolarHBondContact O-N 3.1Å
516	K	98.7	Very high	97.7	Very high	23 Å²	23	43.7 Å²	43.7	10%	0.1	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-41.5	174.3	-71.2	-176	-57.3	-164.4	0	111.5	L472 D475 W512 E513 G518 M519 Y520 F577 Y580	L472-K516 HydrophobicContact CD1-CG 4.1Å; L472-K516 HydrophobicContact CG-CG 4.06Å; D475-K516 IonicContact OD1-NZ 2.95Å; D475-K516 PolarHBondContact OD1-NZ 2.78Å; D475-K516 IonicContact OD2-NZ 3.31Å; W512-K516 WeakPolarHBondContact O-CG 3.48Å; W512-K516 PolarHBondContact O-N 3.22Å; E513-K516 PolarHBondContact O-N 2.86Å; E513-K516 WeakPolarHBondContact OE2-CE 3.48Å; K516-G518 VanDerWaalsContact C-N 3.31Å; K516-G518 PolarHBondContact O-N 3.35Å; K516-M519 CarbonylContact O-C 3.38Å; K516-M519 WeakPolarHBondContact O-CA 3.39Å; K516-M519 WeakPolarHBondContact O-CB 3.26Å; K516-M519 PolarHBondContact O-N 3.26Å; K516-Y520 PolarHBondContact O-N 3.11Å; K516-F577 HydrophobicContact CB-CZ 4.32Å; K516-F577 HydrophobicContact CD-CZ 4.28Å; K516-F577 HydrophobicContact CG-CZ 4.13Å; K516-Y580 HydrophobicContact CB-CE2 3.99Å; K516-Y580 WeakPolarHBondContact O-CE2 3.47Å
517	D	98.5	Very high	97.8	Very high	42 Å²	42	42.5 Å²	42.5	23%	0.225	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-40	173.7	177.8	80	0	0	0	111.5	E513 M519 Y520 G521 R525 Y580	E513-D517 WeakPolarHBondContact O-CB 3.44Å; E513-D517 PolarHBondContact O-N 3.33Å; D517-M519 VanDerWaalsContact C-N 3.32Å; D517-M519 PolarHBondContact O-N 3.19Å; D517-Y520 WeakPolarHBondContact O-CB 3.37Å; D517-Y520 PolarHBondContact O-N 3.39Å; D517-G521 PolarHBondContact O-N 3.25Å; D517-R525 PolarHBondContact O-NH1 2.88Å; D517-R525 IonicContact OD1-CZ 3.74Å; D517-R525 IonicContact OD1-NH1 3.87Å; D517-R525 IonicContact OD1-NH2 3.62Å; D517-R525 PolarHBondContact OD1-NH2 2.92Å; D517-R525 IonicContact OD2-CZ 2.79Å; D517-R525 IonicContact OD2-NH1 3.9Å; D517-R525 PolarHBondContact OD2-NH1 3.27Å; D517-R525 IonicContact OD2-NH2 2.78Å; D517-R525 PolarHBondContact OD2-NH2 3.16Å; D517-Y580 WeakPolarHBondContact CA-OH 3.01Å; D517-Y580 PolarHBondContact N-OH 3.22Å
518	G	98.5	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-44	171	0	0	0	0	0	112.3	L514 A515 K516 G521 V522	L514-G518 PolarHBondContact O-N 3.07Å; L514-G518 VanDerWaalsContact O-N 3.15Å; A515-G518 PolarHBondContact O-N 3.43Å; K516-G518 VanDerWaalsContact C-N 3.31Å; K516-G518 PolarHBondContact O-N 3.35Å; G518-G521 PolarHBondContact O-N 2.86Å; G518-V522 WeakPolarHBondContact O-CG2 3.49Å; G518-V522 PolarHBondContact O-N 3.45Å
519	M	98.8	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-35.8	175.3	-67.7	-179.4	63.1	0	0	113.3	P334 L469 L472 A515 K516 D517 G521 V522 A523 A542 A543 K544 F577	P334-M519 HydrophobicContact CB-CG 4.28Å; P334-M519 HydrophobicContact CB-SD 3.93Å; P334-M519 HydrophobicContact CG-CG 3.74Å; P334-M519 HydrophobicContact CG-SD 3.69Å; L469-M519 HydrophobicContact CD1-CE 3.9Å; L472-M519 HydrophobicContact CD2-SD 3.47Å; L472-M519 WeakPolarHBondContact CD2-SD 3.36Å; A515-M519 PolarHBondContact O-N 3.1Å; K516-M519 CarbonylContact O-C 3.38Å; K516-M519 WeakPolarHBondContact O-CA 3.39Å; K516-M519 WeakPolarHBondContact O-CB 3.26Å; K516-M519 PolarHBondContact O-N 3.26Å; D517-M519 VanDerWaalsContact C-N 3.32Å; D517-M519 PolarHBondContact O-N 3.19Å; M519-G521 VanDerWaalsContact C-N 3.28Å; M519-V522 WeakPolarHBondContact O-CB 3.43Å; M519-V522 PolarHBondContact O-N 3.02Å; M519-A523 PolarHBondContact O-N 2.73Å; M519-A542 HydrophobicContact CB-CB 3.91Å; M519-A543 WeakPolarHBondContact CA-O 3.31Å; M519-A543 PolarHBondContact O-N 3.03Å; M519-K544 HydrophobicContact CE-CB 4.19Å; M519-K544 HydrophobicContact CG-CB 4.38Å; M519-F577 HydrophobicContact CE-CD1 4.07Å; M519-F577 HydrophobicContact CE-CE1 3.92Å; M519-F577 HydrophobicContact SD-CE1 4.22Å
520	Y	98.8	Very high	98.2	Very high	50 Å²	50	33.1 Å²	33.1	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-43.3	169.5	175.9	-92.2	0	0	0	110.1	K516 D517 V522 A523 N524 K540 Y580	K516-Y520 PolarHBondContact O-N 3.11Å; D517-Y520 WeakPolarHBondContact O-CB 3.37Å; D517-Y520 PolarHBondContact O-N 3.39Å; Y520-V522 PolarHBondContact O-N 3.43Å; Y520-A523 PolarHBondContact O-N 2.85Å; Y520-A523 VanDerWaalsContact O-N 3.14Å; Y520-N524 HydrophobicContact CD1-CB 4.36Å; Y520-N524 WeakPolarHBondContact CD2-ND2 3.19Å; Y520-N524 HydrophobicContact CE1-CB 3.91Å; Y520-N524 HydrophobicContact CE2-CB 4.23Å; Y520-N524 VanDerWaalsContact CE2-ND2 3.26Å; Y520-N524 WeakPolarHBondContact CE2-ND2 3.14Å; Y520-N524 WeakPolarHBondContact O-CB 3.43Å; Y520-N524 PolarHBondContact O-N 2.98Å; Y520-N524 PolarHBondContact O-ND2 3.15Å; Y520-K540 HydrophobicContact CE2-CB 3.95Å; Y520-K540 HydrophobicContact CE2-CD 3.83Å; Y520-K540 HydrophobicContact CE2-CG 3.94Å; Y520-Y580 HydrophobicContact CD2-CD1 4.11Å; Y520-Y580 HydrophobicContact CD2-CD2 4.03Å; Y520-Y580 HydrophobicContact CD2-CE2 4.47Å; Y520-Y580 AromaticContact CD2-CG 3.8Å; Y520-Y580 HydrophobicContact CD2-CG 3.8Å; Y520-Y580 HydrophobicContact CG-CD2 4.38Å; Y520-Y580 HydrophobicContact CG-CE2 4.4Å; Y520-Y580 HydrophobicContact CG-CG 4.48Å
521	G	98.6	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-40.4	175.9	0	0	0	0	0	113.3	D517 G518 M519 A523 N524 R525	D517-G521 PolarHBondContact O-N 3.25Å; G518-G521 PolarHBondContact O-N 2.86Å; M519-G521 VanDerWaalsContact C-N 3.28Å; G521-A523 PolarHBondContact O-N 2.82Å; G521-N524 PolarHBondContact O-N 3.43Å; G521-R525 WeakPolarHBondContact O-CB 3.2Å; G521-R525 PolarHBondContact O-N 2.65Å
522	V	98.8	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.4	-40	172.9	170.2	0	0	0	0	112.2	L384 G518 M519 Y520 G528 A530 H531 A543 K544	L384-V522 WeakPolarHBondContact O-CG2 3.46Å; G518-V522 WeakPolarHBondContact O-CG2 3.49Å; G518-V522 PolarHBondContact O-N 3.45Å; M519-V522 WeakPolarHBondContact O-CB 3.43Å; M519-V522 PolarHBondContact O-N 3.02Å; Y520-V522 PolarHBondContact O-N 3.43Å; V522-G528 CarbonylContact O-C 3.41Å; V522-G528 VanDerWaalsContact O-C 3.3Å; V522-G528 WeakPolarHBondContact O-CA 3.43Å; V522-A530 HydrophobicContact CG1-CB 3.78Å; V522-A530 CarbonylContact O-C 3.39Å; V522-A530 WeakPolarHBondContact O-CA 3.27Å; V522-A530 PolarHBondContact O-N 2.81Å; V522-H531 PolarHBondContact O-N 3.19Å; V522-A543 WeakPolarHBondContact CB-O 3.4Å; V522-A543 VanDerWaalsContact CG1-O 3.26Å; V522-A543 WeakPolarHBondContact CG1-O 3.47Å; V522-K544 HydrophobicContact CG2-CD 4.11Å
523	A	98.6	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-89.2	-29.5	-174.7	0	0	0	0	0	113.9	M519 Y520 G521 H531 F534 A535 I541 A543	M519-A523 PolarHBondContact O-N 2.73Å; Y520-A523 PolarHBondContact O-N 2.85Å; Y520-A523 VanDerWaalsContact O-N 3.14Å; G521-A523 PolarHBondContact O-N 2.82Å; A523-H531 WeakPolarHBondContact O-CA 3.49Å; A523-F534 HydrophobicContact CB-CB 3.8Å; A523-F534 HydrophobicContact CB-CD2 3.85Å; A523-F534 HydrophobicContact CB-CG 4.25Å; A523-A535 PolarHBondContact O-N 3.49Å; A523-I541 HydrophobicContact CB-CB 4.41Å; A523-I541 HydrophobicContact CB-CG2 4.25Å; A523-I541 VanDerWaalsContact CB-O 3.3Å; A523-I541 WeakPolarHBondContact CB-O 3.31Å; A523-A543 HydrophobicContact CB-CB 4.27Å
524	N	98.6	Very high	98.2	Very high	28 Å²	28	35 Å²	35	15%	0.15	17%	0.174	C	C	.	.	H	α-helix	trans	-120.7	-32.1	-167.2	-58.6	-85.8	0	0	0	114.1	Y520 G521 H531 I541	Y520-N524 HydrophobicContact CD1-CB 4.36Å; Y520-N524 WeakPolarHBondContact CD2-ND2 3.19Å; Y520-N524 HydrophobicContact CE1-CB 3.91Å; Y520-N524 HydrophobicContact CE2-CB 4.23Å; Y520-N524 VanDerWaalsContact CE2-ND2 3.26Å; Y520-N524 WeakPolarHBondContact CE2-ND2 3.14Å; Y520-N524 WeakPolarHBondContact O-CB 3.43Å; Y520-N524 PolarHBondContact O-N 2.98Å; Y520-N524 PolarHBondContact O-ND2 3.15Å; G521-N524 PolarHBondContact O-N 3.43Å; N524-H531 PolarHBondContact O-CE1 3.37Å; N524-H531 PolarHBondContact O-ND1 2.87Å; N524-I541 PolarHBondContact ND2-O 3.36Å
525	R	98.5	Very high	98.2	Very high	67 Å²	67	35.7 Å²	35.7	25%	0.253	18%	0.183	S	C	.	.	S	Bend	trans	-78.1	146.1	-177.7	-66.8	169.4	-175.1	145.4	6.5	110.1	E385 D517 G521 N527 G528 H531	E385-R525 WeakPolarHBondContact OE1-CD 3.26Å; E385-R525 IonicContact OE1-CZ 2.93Å; E385-R525 IonicContact OE1-NE 2.84Å; E385-R525 IonicContact OE1-NH1 2.88Å; E385-R525 PolarHBondContact OE1-NH1 3.26Å; D517-R525 PolarHBondContact O-NH1 2.88Å; D517-R525 IonicContact OD1-CZ 3.74Å; D517-R525 IonicContact OD1-NH1 3.87Å; D517-R525 IonicContact OD1-NH2 3.62Å; D517-R525 PolarHBondContact OD1-NH2 2.92Å; D517-R525 IonicContact OD2-CZ 2.79Å; D517-R525 IonicContact OD2-NH1 3.9Å; D517-R525 PolarHBondContact OD2-NH1 3.27Å; D517-R525 IonicContact OD2-NH2 2.78Å; D517-R525 PolarHBondContact OD2-NH2 3.16Å; G521-R525 WeakPolarHBondContact O-CB 3.2Å; G521-R525 PolarHBondContact O-N 2.65Å; R525-N527 WeakPolarHBondContact CB-OD1 3.21Å; R525-N527 PolarHBondContact O-N 2.92Å; R525-N527 VanDerWaalsContact O-N 3.12Å; R525-G528 WeakPolarHBondContact O-CA 3.45Å; R525-G528 PolarHBondContact O-N 3.28Å; R525-H531 WeakPolarHBondContact O-CB 3.48Å; R525-H531 PolarHBondContact O-ND1 3.45Å
526	P	97.9	Very high	98.1	Very high	117 Å²	117	40.2 Å²	40.2	76%	0.76	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.6	-175.5	-27.8	35.8	0	0	0	115.4	G528	P526-G528 VanDerWaalsContact C-N 3.34Å
527	N	97.6	Very high	98	Very high	60 Å²	60	39.8 Å²	39.8	32%	0.321	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.3	175.4	65.5	-40.6	0	0	0	113.3	E385 E386 R525	E385-N527 PolarHBondContact OE2-ND2 3.34Å; E386-N527 HydrophobicContact CG-CB 4.08Å; E386-N527 WeakPolarHBondContact CG-ND2 3.39Å; E386-N527 PolarHBondContact OE1-ND2 3Å; E386-N527 VanDerWaalsContact OE1-ND2 3.12Å; R525-N527 WeakPolarHBondContact CB-OD1 3.21Å; R525-N527 PolarHBondContact O-N 2.92Å; R525-N527 VanDerWaalsContact O-N 3.12Å
528	G	97.8	Very high	97.9	Very high	8 Å²	8	42.7 Å²	42.7	8%	0.082	24%	0.237	C	C	.	.			trans	-66.3	133	-177.5	0	0	0	0	0	112.8	E385 V522 R525 P526 A530 H531	E385-G528 WeakPolarHBondContact O-CA 3.4Å; V522-G528 CarbonylContact O-C 3.41Å; V522-G528 VanDerWaalsContact O-C 3.3Å; V522-G528 WeakPolarHBondContact O-CA 3.43Å; R525-G528 WeakPolarHBondContact O-CA 3.45Å; R525-G528 PolarHBondContact O-N 3.28Å; P526-G528 VanDerWaalsContact C-N 3.34Å; G528-A530 PolarHBondContact O-N 3.42Å; G528-H531 VanDerWaalsContact O-CB 3.3Å; G528-H531 WeakPolarHBondContact O-CB 3.21Å; G528-H531 PolarHBondContact O-N 3.13Å; G528-H531 VanDerWaalsContact O-N 3.11Å
529	T	96.6	Very high	97.8	Very high	43 Å²	43	43.7 Å²	43.7	26%	0.264	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.8	-176.6	58.2	0	0	0	0	114.9	W370 E385 S545	W370-T529 HydrophobicContact CZ2-CG2 4.25Å; E385-T529 PolarHBondContact O-N 3.44Å; E385-T529 VanDerWaalsContact O-N 3.12Å; T529-S545 PolarHBondContact OG1-OG 3.46Å
530	A	97.9	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	10.2	179.8	0	0	0	0	0	113.6	V522 G528 K532 Y533 F534	V522-A530 HydrophobicContact CG1-CB 3.78Å; V522-A530 CarbonylContact O-C 3.39Å; V522-A530 WeakPolarHBondContact O-CA 3.27Å; V522-A530 PolarHBondContact O-N 2.81Å; G528-A530 PolarHBondContact O-N 3.42Å; A530-K532 VanDerWaalsContact C-N 3.27Å; A530-K532 PolarHBondContact O-N 3.38Å; A530-Y533 HydrophobicContact CB-CD2 4.17Å; A530-Y533 PolarHBondContact O-N 3.46Å; A530-F534 HydrophobicContact CB-CD2 3.55Å; A530-F534 HydrophobicContact CB-CE2 3.52Å; A530-F534 PolarHBondContact O-N 2.94Å
531	H	98.2	Very high	97.8	Very high	68 Å²	68	45.8 Å²	45.8	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-48.2	-47.9	-179.2	176.8	82.1	0	0	0	112.7	V522 A523 N524 R525 G528 Y533 F534 A535	V522-H531 PolarHBondContact O-N 3.19Å; A523-H531 WeakPolarHBondContact O-CA 3.49Å; N524-H531 PolarHBondContact O-CE1 3.37Å; N524-H531 PolarHBondContact O-ND1 2.87Å; R525-H531 WeakPolarHBondContact O-CB 3.48Å; R525-H531 PolarHBondContact O-ND1 3.45Å; G528-H531 VanDerWaalsContact O-CB 3.3Å; G528-H531 WeakPolarHBondContact O-CB 3.21Å; G528-H531 PolarHBondContact O-N 3.13Å; G528-H531 VanDerWaalsContact O-N 3.11Å; H531-Y533 PolarHBondContact O-N 3.45Å; H531-F534 PolarHBondContact O-N 3.27Å; H531-A535 WeakPolarHBondContact CE1-CB 3.35Å; H531-A535 VanDerWaalsContact ND1-CB 3.33Å; H531-A535 WeakPolarHBondContact ND1-CB 3.27Å; H531-A535 VanDerWaalsContact O-CB 3.22Å; H531-A535 WeakPolarHBondContact O-CB 3.29Å; H531-A535 PolarHBondContact O-N 2.78Å
532	K	97.8	Very high	97.8	Very high	160 Å²	160	45.8 Å²	45.8	70%	0.696	25%	0.251	S	S	*	.	H	α-helix	trans	-61.3	-17.1	-178.4	70.5	-179.4	-172.4	174.4	0	115.3	A530	A530-K532 VanDerWaalsContact C-N 3.27Å; A530-K532 PolarHBondContact O-N 3.38Å
533	Y	97.9	Very high	97.8	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-97.9	-36.4	179.5	-55.5	-63.4	0	0	0	111.9	A530 H531 A599 R605	A530-Y533 HydrophobicContact CB-CD2 4.17Å; A530-Y533 PolarHBondContact O-N 3.46Å; H531-Y533 PolarHBondContact O-N 3.45Å; Y533-A599 HydrophobicContact CE1-CB 4.31Å; Y533-R605 WeakPolarHBondContact O-CG 3.37Å; Y533-R605 PolarHBondContact O-NH1 3.01Å; Y533-R605 VanDerWaalsContact O-NH1 3.1Å
534	F	98.3	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-117.2	-23.3	-162.1	-56.2	-44.9	0	0	0	114.8	A523 A530 H531 S536 A537 I541 A543 M574 G601 M604 R605	A523-F534 HydrophobicContact CB-CB 3.8Å; A523-F534 HydrophobicContact CB-CD2 3.85Å; A523-F534 HydrophobicContact CB-CG 4.25Å; A530-F534 HydrophobicContact CB-CD2 3.55Å; A530-F534 HydrophobicContact CB-CE2 3.52Å; A530-F534 PolarHBondContact O-N 2.94Å; H531-F534 PolarHBondContact O-N 3.27Å; F534-S536 PolarHBondContact O-N 2.88Å; F534-S536 VanDerWaalsContact O-N 3.08Å; F534-A537 WeakPolarHBondContact O-CB 3.29Å; F534-A537 PolarHBondContact O-N 3.12Å; F534-I541 HydrophobicContact CB-CB 4.14Å; F534-I541 HydrophobicContact CB-CD1 3.97Å; F534-I541 HydrophobicContact CB-CG2 4.16Å; F534-I541 HydrophobicContact CD1-CD1 3.8Å; F534-I541 HydrophobicContact CD1-CG2 4.24Å; F534-I541 HydrophobicContact CD2-CG2 4.26Å; F534-I541 HydrophobicContact CG-CB 4.47Å; F534-I541 HydrophobicContact CG-CD1 4.16Å; F534-I541 HydrophobicContact CG-CG2 3.97Å; F534-A543 HydrophobicContact CD2-CB 3.8Å; F534-A543 HydrophobicContact CE2-CB 3.47Å; F534-A543 VanDerWaalsContact CE2-CB 3.47Å; F534-A543 HydrophobicContact CZ-CB 4.37Å; F534-M574 HydrophobicContact CE2-SD 4.1Å; F534-M574 HydrophobicContact CZ-CG 4.37Å; F534-M574 HydrophobicContact CZ-SD 4.28Å; F534-G601 WeakPolarHBondContact CE1-O 3.34Å; F534-M604 HydrophobicContact CE1-CB 4.04Å; F534-M604 HydrophobicContact CE1-CG 3.84Å; F534-M604 HydrophobicContact CZ-CB 3.93Å; F534-M604 HydrophobicContact CZ-CG 3.67Å; F534-R605 HydrophobicContact CD1-CB 4.07Å; F534-R605 HydrophobicContact CE1-CB 3.92Å
535	A	97.4	Very high	97.7	Very high	36 Å²	36	45.8 Å²	45.8	30%	0.298	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.9	-170.8	0	0	0	0	0	114.6	A523 H531	A523-A535 PolarHBondContact O-N 3.49Å; H531-A535 WeakPolarHBondContact CE1-CB 3.35Å; H531-A535 VanDerWaalsContact ND1-CB 3.33Å; H531-A535 WeakPolarHBondContact ND1-CB 3.27Å; H531-A535 VanDerWaalsContact O-CB 3.22Å; H531-A535 WeakPolarHBondContact O-CB 3.29Å; H531-A535 PolarHBondContact O-N 2.78Å
536	S	97	Very high	97.6	Very high	96 Å²	96	42.7 Å²	42.7	67%	0.671	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.2	177.4	64	0	0	0	0	114.2	F534 R605	F534-S536 PolarHBondContact O-N 2.88Å; F534-S536 VanDerWaalsContact O-N 3.08Å; S536-R605 PolarHBondContact OG-NH1 2.78Å
537	A	96.5	Very high	97.4	Very high	14 Å²	14	39.7 Å²	39.7	12%	0.116	22%	0.221	C	C	.	.			trans	-69	134.1	177.9	0	0	0	0	0	110.2	F534 Y539 I541	F534-A537 WeakPolarHBondContact O-CB 3.29Å; F534-A537 PolarHBondContact O-N 3.12Å; A537-Y539 VanDerWaalsContact C-N 3.28Å; A537-Y539 CarbonylContact C-O 3.59Å; A537-Y539 HydrophobicContact CB-CE1 4.22Å; A537-Y539 HydrophobicContact CB-CE2 4.43Å; A537-Y539 WeakPolarHBondContact CB-O 3.39Å; A537-Y539 PolarHBondContact O-N 2.65Å; A537-I541 HydrophobicContact CB-CD1 3.57Å; A537-I541 HydrophobicContact CB-CG1 4.16Å
538	P	95.6	Very high	96.8	Very high	103 Å²	103	36.8 Å²	36.8	67%	0.669	21%	0.206	S	C	*	.	S	Bend	trans	-68	-31.2	178.3	25.1	-31.8	0	0	0	112.1	L613	P538-L613 HydrophobicContact CG-CD1 3.98Å; P538-L613 HydrophobicContact CG-CD2 4.1Å
539	Y	97.1	Very high	95.8	Very high	21 Å²	21	40.9 Å²	40.9	8%	0.082	22%	0.223	C	C	.	.	S	Bend	trans	-88.7	144	167.9	60.3	-85.6	0	0	0	109.7	A537 I541 A578 L608 D609 M612 L613	A537-Y539 VanDerWaalsContact C-N 3.28Å; A537-Y539 CarbonylContact C-O 3.59Å; A537-Y539 HydrophobicContact CB-CE1 4.22Å; A537-Y539 HydrophobicContact CB-CE2 4.43Å; A537-Y539 WeakPolarHBondContact CB-O 3.39Å; A537-Y539 PolarHBondContact O-N 2.65Å; Y539-I541 HydrophobicContact CD2-CD1 4.42Å; Y539-I541 HydrophobicContact CD2-CG1 3.81Å; Y539-I541 HydrophobicContact CE2-CD1 3.6Å; Y539-I541 HydrophobicContact CE2-CG1 3.37Å; Y539-I541 PolarHBondContact O-N 3.34Å; Y539-A578 HydrophobicContact CD2-CB 3.71Å; Y539-A578 HydrophobicContact CE2-CB 3.74Å; Y539-L608 HydrophobicContact CE2-CB 3.99Å; Y539-L608 WeakPolarHBondContact OH-CB 3.44Å; Y539-L608 PolarHBondContact OH-O 2.94Å; Y539-D609 VanDerWaalsContact CE1-OD1 3.23Å; Y539-D609 WeakPolarHBondContact CE1-OD1 3.49Å; Y539-D609 VanDerWaalsContact CZ-OD1 3.3Å; Y539-D609 PolarHBondContact OH-N 3.3Å; Y539-D609 VanDerWaalsContact OH-N 3.07Å; Y539-D609 PolarHBondContact OH-OD1 3.21Å; Y539-M612 HydrophobicContact CD1-CB 3.63Å; Y539-M612 HydrophobicContact CD1-CG 4.12Å; Y539-M612 HydrophobicContact CD2-CB 4.27Å; Y539-M612 HydrophobicContact CD2-CG 3.81Å; Y539-M612 HydrophobicContact CE1-CB 3.63Å; Y539-M612 HydrophobicContact CE1-CG 4.09Å; Y539-M612 HydrophobicContact CE2-CB 4.21Å; Y539-M612 HydrophobicContact CE2-CG 3.71Å; Y539-M612 HydrophobicContact CG-CB 4Å; Y539-M612 HydrophobicContact CG-CG 4.02Å; Y539-L613 HydrophobicContact CD1-CD2 4.27Å; Y539-L613 HydrophobicContact CD1-CG 4.29Å; Y539-L613 HydrophobicContact CE1-CD1 4.14Å; Y539-L613 HydrophobicContact CE1-CG 4.1Å
540	K	98.1	Very high	94.7	Very high	94 Å²	94	41.5 Å²	41.5	41%	0.409	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-74.5	123.3	-177.5	-72.2	178.9	174.9	-177.2	0	110.9	Y520 P579 Y580	Y520-K540 HydrophobicContact CE2-CB 3.95Å; Y520-K540 HydrophobicContact CE2-CD 3.83Å; Y520-K540 HydrophobicContact CE2-CG 3.94Å; K540-P579 CarbonylContact O-C 3.57Å; K540-P579 VanDerWaalsContact O-CA 3.27Å; K540-P579 WeakPolarHBondContact O-CA 3.34Å; K540-Y580 PolarHBondContact O-N 2.82Å
541	I	98.7	Very high	93.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-101.5	143.4	176	-62.8	170.2	0	0	0	109.3	A523 N524 F534 A537 Y539 A543 A576 A578 L608	A523-I541 HydrophobicContact CB-CB 4.41Å; A523-I541 HydrophobicContact CB-CG2 4.25Å; A523-I541 VanDerWaalsContact CB-O 3.3Å; A523-I541 WeakPolarHBondContact CB-O 3.31Å; N524-I541 PolarHBondContact ND2-O 3.36Å; F534-I541 HydrophobicContact CB-CB 4.14Å; F534-I541 HydrophobicContact CB-CD1 3.97Å; F534-I541 HydrophobicContact CB-CG2 4.16Å; F534-I541 HydrophobicContact CD1-CD1 3.8Å; F534-I541 HydrophobicContact CD1-CG2 4.24Å; F534-I541 HydrophobicContact CD2-CG2 4.26Å; F534-I541 HydrophobicContact CG-CB 4.47Å; F534-I541 HydrophobicContact CG-CD1 4.16Å; F534-I541 HydrophobicContact CG-CG2 3.97Å; A537-I541 HydrophobicContact CB-CD1 3.57Å; A537-I541 HydrophobicContact CB-CG1 4.16Å; Y539-I541 HydrophobicContact CD2-CD1 4.42Å; Y539-I541 HydrophobicContact CD2-CG1 3.81Å; Y539-I541 HydrophobicContact CE2-CD1 3.6Å; Y539-I541 HydrophobicContact CE2-CG1 3.37Å; Y539-I541 PolarHBondContact O-N 3.34Å; I541-A543 HydrophobicContact CG2-CB 4.41Å; I541-A576 HydrophobicContact CG2-CB 4.4Å; I541-A578 HydrophobicContact CG1-CB 4.47Å; I541-L608 HydrophobicContact CD1-CD1 3.88Å; I541-L608 HydrophobicContact CG1-CD1 4.09Å; I541-L608 HydrophobicContact CG2-CD1 3.94Å
542	A	98.8	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.7	161.8	0	0	0	0	0	109.3	M519 A576 F577 Y580	M519-A542 HydrophobicContact CB-CB 3.91Å; A542-A576 CarbonylContact O-C 3.57Å; A542-A576 WeakPolarHBondContact O-CA 3.22Å; A542-F577 HydrophobicContact CB-CD1 4.09Å; A542-F577 HydrophobicContact CB-CD2 4.38Å; A542-F577 HydrophobicContact CB-CE1 3.52Å; A542-F577 HydrophobicContact CB-CE2 3.87Å; A542-F577 HydrophobicContact CB-CZ 3.41Å; A542-F577 VanDerWaalsContact CB-CZ 3.41Å; A542-F577 PolarHBondContact N-O 3.04Å; A542-F577 VanDerWaalsContact N-O 3.13Å; A542-F577 PolarHBondContact O-N 2.98Å; A542-Y580 HydrophobicContact CB-CD2 3.74Å; A542-Y580 HydrophobicContact CB-CE2 4.27Å
543	A	98.8	Very high	89.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.1	-172.2	0	0	0	0	0	113.2	M519 V522 A523 F534 I541 M574 T575 A576	M519-A543 WeakPolarHBondContact CA-O 3.31Å; M519-A543 PolarHBondContact O-N 3.03Å; V522-A543 WeakPolarHBondContact CB-O 3.4Å; V522-A543 VanDerWaalsContact CG1-O 3.26Å; V522-A543 WeakPolarHBondContact CG1-O 3.47Å; A523-A543 HydrophobicContact CB-CB 4.27Å; F534-A543 HydrophobicContact CD2-CB 3.8Å; F534-A543 HydrophobicContact CE2-CB 3.47Å; F534-A543 VanDerWaalsContact CE2-CB 3.47Å; F534-A543 HydrophobicContact CZ-CB 4.37Å; I541-A543 HydrophobicContact CG2-CB 4.41Å; A543-M574 HydrophobicContact CB-SD 4.38Å; A543-T575 CarbonylContact C-O 3.59Å; A543-T575 WeakPolarHBondContact CA-O 3.4Å; A543-T575 WeakPolarHBondContact CB-O 3.38Å; A543-A576 HydrophobicContact CB-CB 3.9Å
544	K	98.8	Very high	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	121.3	167	-169.6	72.4	-161.8	68.1	0	110.3	S330 P334 S387 M519 V522 T575	S330-K544 WeakPolarHBondContact O-CE 3.3Å; S330-K544 VanDerWaalsContact O-CG 3.24Å; S330-K544 WeakPolarHBondContact O-CG 3.41Å; S330-K544 PolarHBondContact O-NZ 3.15Å; P334-K544 HydrophobicContact CG-CB 4.2Å; P334-K544 HydrophobicContact CG-CD 4.28Å; P334-K544 HydrophobicContact CG-CG 4.03Å; S387-K544 VanDerWaalsContact CB-NZ 3.3Å; S387-K544 PolarHBondContact OG-NZ 2.81Å; M519-K544 HydrophobicContact CE-CB 4.19Å; M519-K544 HydrophobicContact CG-CB 4.38Å; V522-K544 HydrophobicContact CG2-CD 4.11Å; K544-T575 PolarHBondContact N-O 3.49Å; K544-T575 PolarHBondContact O-N 3.39Å; K544-T575 PolarHBondContact O-OG1 2.66Å
545	S	97.3	Very high	84.4	Confident	27 Å²	27	48.5 Å²	48.5	19%	0.189	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	157	175	64.5	0	0	0	0	112.3	S330 T529	S330-S545 CarbonylContact C-O 3.48Å; S330-S545 WeakPolarHBondContact CB-O 3.17Å; T529-S545 PolarHBondContact OG1-OG 3.46Å
546	G	95.2	Very high	82.4	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.3	171.1	0	0	0	0	0	111.8	L573	G546-L573 PolarHBondContact N-O 2.64Å; G546-L573 PolarHBondContact O-N 2.98Å
547	T	93	Very high	80.4	Confident	53 Å²	53	54 Å²	54	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.1	170.1	-65.2	0	0	0	0	107.9	A329 Q455 D570 H571 K572	A329-T547 VanDerWaalsContact CB-O 3.28Å; A329-T547 WeakPolarHBondContact CB-O 3.28Å; Q455-T547 PolarHBondContact NE2-O 3.4Å; T547-D570 HydrophobicContact CG2-CB 3.44Å; T547-D570 VanDerWaalsContact CG2-CB 3.44Å; T547-D570 WeakPolarHBondContact CG2-OD2 3.39Å; T547-H571 WeakPolarHBondContact CA-O 3.47Å; T547-K572 HydrophobicContact CG2-CD 4.43Å; T547-K572 VanDerWaalsContact CG2-NZ 3.29Å; T547-K572 PolarHBondContact OG1-NZ 2.89Å
548	A	86.9	Confident	78.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	179.7	0	0	0	0	0	110.2	P327 A329 D570 H571 L573	P327-A548 HydrophobicContact CB-CB 3.97Å; P327-A548 HydrophobicContact CG-CB 4.17Å; P327-A548 WeakPolarHBondContact O-CB 3.22Å; A329-A548 HydrophobicContact CB-CB 4.37Å; A548-D570 CarbonylContact O-C 3.51Å; A548-D570 WeakPolarHBondContact O-CA 3.41Å; A548-D570 WeakPolarHBondContact O-CB 3.25Å; A548-H571 HydrophobicContact CB-CB 4.24Å; A548-H571 PolarHBondContact N-O 2.8Å; A548-H571 PolarHBondContact O-N 3.11Å; A548-L573 HydrophobicContact CB-CD1 3.75Å
549	Q	76.5	Confident	77.3	Confident	93 Å²	93	57.2 Å²	57.2	44%	0.435	32%	0.316	S	S	.	.			trans	-74.5	132.1	-179.8	-63.7	-176.1	-49.5	0	0	110.2	D570	Q549-D570 WeakPolarHBondContact CA-OD1 3.27Å
550	V	73.1	Confident	75.9	Confident	57 Å²	57	59.1 Å²	59.1	35%	0.345	33%	0.328	S	S	.	.	S	Bend	trans	-81.7	-28.1	175.4	179.8	0	0	0	0	111.1	L568 R569	V550-L568 HydrophobicContact CG1-CD2 4.45Å; V550-R569 WeakPolarHBondContact CG2-O 3.2Å
551	F	65.5	Low	74.2	Confident	68 Å²	68	56 Å²	56	30%	0.298	32%	0.319	S	S	.	.	S	Bend	trans	-144.1	157.3	178.7	71.5	-80.7	0	0	0	111.7	L553 I564 L568	F551-L553 HydrophobicContact CE2-CD2 3.7Å; F551-L553 HydrophobicContact CE2-CG 4.43Å; F551-L553 HydrophobicContact CZ-CD2 3.93Å; F551-I564 HydrophobicContact CE1-CD1 4.06Å; F551-I564 HydrophobicContact CE1-CG2 3.98Å; F551-I564 HydrophobicContact CZ-CD1 3.77Å; F551-I564 HydrophobicContact CZ-CG1 4.24Å; F551-I564 HydrophobicContact CZ-CG2 4.4Å; F551-L568 HydrophobicContact CD1-CB 4.24Å; F551-L568 WeakPolarHBondContact CD1-O 3.46Å; F551-L568 HydrophobicContact CE1-CB 4.15Å; F551-L568 VanDerWaalsContact CE1-O 3.23Å; F551-L568 WeakPolarHBondContact CE1-O 3.49Å
552	G	56.8	Low	72.7	Confident	66 Å²	66	64.1 Å²	64.1	68%	0.68	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-77.3	131.3	176.3	0	0	0	0	0	111.9
553	L	57.8	Low	71.2	Confident	38 Å²	38	72.5 Å²	72.5	20%	0.199	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-83.6	148.9	171.3	-67.6	166.1	0	0	0	110.8	F551 E557 Y559	F551-L553 HydrophobicContact CE2-CD2 3.7Å; F551-L553 HydrophobicContact CE2-CG 4.43Å; F551-L553 HydrophobicContact CZ-CD2 3.93Å; L553-E557 HydrophobicContact CB-CB 4.35Å; L553-E557 HydrophobicContact CD2-CG 4.06Å; L553-Y559 HydrophobicContact CD1-CD2 4.36Å
554	K	46.5	Very low	70	Confident	167 Å²	167	73.7 Å²	73.7	73%	0.726	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-64.4	155.8	171.1	-65.5	179.5	-177.7	175.9	0	110.2	N556 E557	K554-N556 PolarHBondContact O-N 3.13Å; K554-E557 HydrophobicContact CB-CB 4.18Å; K554-E557 PolarHBondContact N-OE2 3.33Å; K554-E557 WeakPolarHBondContact O-CB 3.37Å; K554-E557 PolarHBondContact O-N 3.27Å
555	A	46.3	Very low	68.8	Low	83 Å²	83	76.9 Å²	76.9	69%	0.686	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.8	-172.9	0	0	0	0	0	114.9	R368	R368-A555 PolarHBondContact NH1-O 2.89Å; R368-A555 VanDerWaalsContact NH1-O 3.14Å
556	N	56.1	Low	67.8	Low	158 Å²	158	79.6 Å²	79.6	85%	0.845	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	3.7	-178.7	-65.3	-15.7	0	0	0	113.8	K554	K554-N556 PolarHBondContact O-N 3.13Å
557	E	55.3	Low	67	Low	88 Å²	88	85.4 Å²	85.4	41%	0.411	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-90	132	-176.8	-164.7	172.1	-170.9	0	0	110.3	R368 L553 K554	R368-E557 PolarHBondContact NH2-O 3.47Å; L553-E557 HydrophobicContact CB-CB 4.35Å; L553-E557 HydrophobicContact CD2-CG 4.06Å; K554-E557 HydrophobicContact CB-CB 4.18Å; K554-E557 PolarHBondContact N-OE2 3.33Å; K554-E557 WeakPolarHBondContact O-CB 3.37Å; K554-E557 PolarHBondContact O-N 3.27Å
558	T	58.9	Low	66.4	Low	113 Å²	113	86.9 Å²	86.9	69%	0.693	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-97.5	129.7	172.5	52.6	0	0	0	0	108.6	N560	T558-N560 PolarHBondContact O-N 2.98Å
559	Y	67.3	Low	66.4	Low	72 Å²	72	90.8 Å²	90.8	28%	0.282	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-54.3	127.3	175.2	-178.6	-99.2	0	0	0	110.7	L553 A561 I564 R569 D570	L553-Y559 HydrophobicContact CD1-CD2 4.36Å; Y559-A561 HydrophobicContact CE1-CB 3.78Å; Y559-I564 HydrophobicContact CD2-CD1 3.74Å; Y559-I564 HydrophobicContact CE2-CD1 3.54Å; Y559-R569 WeakPolarHBondContact OH-CA 3.14Å; Y559-R569 WeakPolarHBondContact OH-CB 3.3Å; Y559-D570 HydrophobicContact CE2-CB 4.46Å; Y559-D570 VanDerWaalsContact CE2-CG 3.48Å; Y559-D570 WeakPolarHBondContact CE2-OD1 3.34Å; Y559-D570 WeakPolarHBondContact CE2-OD2 3.42Å; Y559-D570 PolarHBondContact OH-N 3.25Å
560	N	67.4	Low	67	Low	61 Å²	61	86.8 Å²	86.8	33%	0.326	46%	0.458	S	S	.	.			trans	-136.5	101.3	172.5	-174.2	-21.7	0	0	0	109.7	T558 H562 K563 I564	T558-N560 PolarHBondContact O-N 2.98Å; N560-H562 PolarHBondContact O-N 3Å; N560-H562 VanDerWaalsContact O-N 3.12Å; N560-H562 WeakPolarHBondContact OD1-CB 3.5Å; N560-H562 PolarHBondContact OD1-N 3.12Å; N560-H562 VanDerWaalsContact OD1-N 3.08Å; N560-K563 HydrophobicContact CB-CB 4.46Å; N560-K563 HydrophobicContact CB-CD 4.36Å; N560-K563 HydrophobicContact CB-CG 4.32Å; N560-K563 PolarHBondContact O-N 2.79Å; N560-I564 WeakPolarHBondContact O-CD1 3.36Å; N560-I564 WeakPolarHBondContact O-CG1 3.08Å
561	A	62.7	Low	68	Low	28 Å²	28	85.3 Å²	85.3	23%	0.231	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-56.7	-28.1	-177.8	0	0	0	0	0	113.9	Y559 K563 I564 R569	Y559-A561 HydrophobicContact CE1-CB 3.78Å; A561-K563 PolarHBondContact O-N 3.23Å; A561-I564 PolarHBondContact O-N 3.15Å; A561-R569 HydrophobicContact CB-CG 4.47Å; A561-R569 PolarHBondContact O-NE 2.78Å; A561-R569 VanDerWaalsContact O-NE 3.13Å; A561-R569 PolarHBondContact O-NH2 2.78Å
562	H	67.7	Low	69.5	Low	172 Å²	172	85.2 Å²	85.2	80%	0.796	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-72.5	-18	178.8	-63.5	-76.1	0	0	0	113.1	N560	N560-H562 PolarHBondContact O-N 3Å; N560-H562 VanDerWaalsContact O-N 3.12Å; N560-H562 WeakPolarHBondContact OD1-CB 3.5Å; N560-H562 PolarHBondContact OD1-N 3.12Å; N560-H562 VanDerWaalsContact OD1-N 3.08Å
563	K	68	Low	71.5	Confident	175 Å²	175	82.1 Å²	82.1	76%	0.761	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-99.4	1.9	179.4	-63.3	-172.1	176.8	-173.3	0	113.2	N560 A561	N560-K563 HydrophobicContact CB-CB 4.46Å; N560-K563 HydrophobicContact CB-CD 4.36Å; N560-K563 HydrophobicContact CB-CG 4.32Å; N560-K563 PolarHBondContact O-N 2.79Å; A561-K563 PolarHBondContact O-N 3.23Å
564	I	72.7	Confident	73.4	Confident	26 Å²	26	80.6 Å²	80.6	13%	0.133	41%	0.407	C	S	.	.	S	Bend	trans	-120.4	134.3	-170.7	-61.6	166.3	0	0	0	108.6	F551 Y559 N560 A561 L568 R569	F551-I564 HydrophobicContact CE1-CD1 4.06Å; F551-I564 HydrophobicContact CE1-CG2 3.98Å; F551-I564 HydrophobicContact CZ-CD1 3.77Å; F551-I564 HydrophobicContact CZ-CG1 4.24Å; F551-I564 HydrophobicContact CZ-CG2 4.4Å; Y559-I564 HydrophobicContact CD2-CD1 3.74Å; Y559-I564 HydrophobicContact CE2-CD1 3.54Å; N560-I564 WeakPolarHBondContact O-CD1 3.36Å; N560-I564 WeakPolarHBondContact O-CG1 3.08Å; A561-I564 PolarHBondContact O-N 3.15Å; I564-L568 HydrophobicContact CG2-CB 3.32Å; I564-R569 HydrophobicContact CG2-CG 4.4Å
565	A	72.9	Confident	75.9	Confident	66 Å²	66	72.6 Å²	72.6	55%	0.545	37%	0.372	S	S	.	.			trans	-54.5	142.5	172.9	0	0	0	0	0	110	R567 L568 R569	A565-R567 VanDerWaalsContact C-N 3.33Å; A565-R567 PolarHBondContact O-N 3.43Å; A565-L568 HydrophobicContact CB-CD1 4.38Å; A565-L568 WeakPolarHBondContact O-CA 3.06Å; A565-L568 WeakPolarHBondContact O-CB 3.13Å; A565-L568 PolarHBondContact O-N 2.99Å; A565-R569 PolarHBondContact O-N 3.04Å
566	E	77	Confident	78.4	Confident	85 Å²	85	68.7 Å²	68.7	40%	0.397	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-50.7	-49.5	-172.3	171.4	-94	159.4	0	0	112.1	R270 L568 R569 N593	R270-E566 IonicContact CZ-OE1 3.4Å; R270-E566 IonicContact NH2-OE1 2.79Å; R270-E566 PolarHBondContact NH2-OE1 3.39Å; R270-E566 IonicContact NH2-OE2 2.6Å; E566-L568 PolarHBondContact O-N 3.07Å; E566-R569 WeakPolarHBondContact O-CB 3.16Å; E566-R569 WeakPolarHBondContact O-CG 3.38Å; E566-R569 PolarHBondContact O-N 3.44Å; E566-N593 WeakPolarHBondContact O-CB 3.39Å
567	R	79.2	Confident	80.5	Confident	125 Å²	125	61.1 Å²	61.1	47%	0.472	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.2	-13.8	175.4	-67.1	-168.6	170.9	135.4	6.3	117.4	P313 N314 A565 N593	P313-R567 VanDerWaalsContact CB-NH2 3.35Å; P313-R567 VanDerWaalsContact CG-NH2 3.31Å; N314-R567 PolarHBondContact OD1-NH2 3.23Å; A565-R567 VanDerWaalsContact C-N 3.33Å; A565-R567 PolarHBondContact O-N 3.43Å; R567-N593 PolarHBondContact O-ND2 2.73Å
568	L	79.9	Confident	82.5	Confident	83 Å²	83	57 Å²	57	44%	0.435	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-103.1	-5.8	177.4	-65.8	177.4	0	0	0	112.6	V550 F551 I564 A565 E566	V550-L568 HydrophobicContact CG1-CD2 4.45Å; F551-L568 HydrophobicContact CD1-CB 4.24Å; F551-L568 WeakPolarHBondContact CD1-O 3.46Å; F551-L568 HydrophobicContact CE1-CB 4.15Å; F551-L568 VanDerWaalsContact CE1-O 3.23Å; F551-L568 WeakPolarHBondContact CE1-O 3.49Å; I564-L568 HydrophobicContact CG2-CB 3.32Å; A565-L568 HydrophobicContact CB-CD1 4.38Å; A565-L568 WeakPolarHBondContact O-CA 3.06Å; A565-L568 WeakPolarHBondContact O-CB 3.13Å; A565-L568 PolarHBondContact O-N 2.99Å; E566-L568 PolarHBondContact O-N 3.07Å
569	R	86.5	Confident	84.4	Confident	82 Å²	82	52.9 Å²	52.9	31%	0.309	26%	0.255	S	S	.	.	S	Bend	trans	-65.9	153	174.5	-64.7	177.9	178.8	178.5	2	110.5	V550 Y559 A561 I564 A565 E566 N593	V550-R569 WeakPolarHBondContact CG2-O 3.2Å; Y559-R569 WeakPolarHBondContact OH-CA 3.14Å; Y559-R569 WeakPolarHBondContact OH-CB 3.3Å; A561-R569 HydrophobicContact CB-CG 4.47Å; A561-R569 PolarHBondContact O-NE 2.78Å; A561-R569 VanDerWaalsContact O-NE 3.13Å; A561-R569 PolarHBondContact O-NH2 2.78Å; I564-R569 HydrophobicContact CG2-CG 4.4Å; A565-R569 PolarHBondContact O-N 3.04Å; E566-R569 WeakPolarHBondContact O-CB 3.16Å; E566-R569 WeakPolarHBondContact O-CG 3.38Å; E566-R569 PolarHBondContact O-N 3.44Å; R569-N593 HydrophobicContact CB-CB 4.19Å; R569-N593 WeakPolarHBondContact CB-O 3.47Å; R569-N593 WeakPolarHBondContact O-CA 3.25Å; R569-N593 PolarHBondContact O-ND2 3.35Å
570	D	89.6	Confident	85.9	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.053	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.3	143.3	179.8	-60.5	-23	0	0	0	112.2	T547 A548 Q549 Y559 N593 G594	T547-D570 HydrophobicContact CG2-CB 3.44Å; T547-D570 VanDerWaalsContact CG2-CB 3.44Å; T547-D570 WeakPolarHBondContact CG2-OD2 3.39Å; A548-D570 CarbonylContact O-C 3.51Å; A548-D570 WeakPolarHBondContact O-CA 3.41Å; A548-D570 WeakPolarHBondContact O-CB 3.25Å; Q549-D570 WeakPolarHBondContact CA-OD1 3.27Å; Y559-D570 HydrophobicContact CE2-CB 4.46Å; Y559-D570 VanDerWaalsContact CE2-CG 3.48Å; Y559-D570 WeakPolarHBondContact CE2-OD1 3.34Å; Y559-D570 WeakPolarHBondContact CE2-OD2 3.42Å; Y559-D570 PolarHBondContact OH-N 3.25Å; D570-N593 CarbonylContact O-C 3.47Å; D570-N593 VanDerWaalsContact O-C 3.31Å; D570-N593 WeakPolarHBondContact O-CA 3.36Å; D570-G594 PolarHBondContact O-N 3.02Å
571	H	94.1	Very high	87.2	Confident	26 Å²	26	53.2 Å²	53.2	12%	0.12	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.6	168.3	-48.5	-60.9	0	0	0	110.3	Y326 T547 A548 L573 I590 E592 N593	Y326-H571 AromaticContact CD1-NE2 3.99Å; T547-H571 WeakPolarHBondContact CA-O 3.47Å; A548-H571 HydrophobicContact CB-CB 4.24Å; A548-H571 PolarHBondContact N-O 2.8Å; A548-H571 PolarHBondContact O-N 3.11Å; H571-L573 HydrophobicContact CB-CD1 4.38Å; H571-I590 HydrophobicContact CB-CD1 3.9Å; H571-I590 HydrophobicContact CB-CG1 4.21Å; H571-E592 VanDerWaalsContact ND1-CA 3.33Å; H571-E592 WeakPolarHBondContact ND1-CA 3.47Å; H571-N593 PolarHBondContact ND1-N 3.4Å; H571-N593 VanDerWaalsContact ND1-N 3.15Å
572	K	97.1	Very high	88.8	Confident	66 Å²	66	58 Å²	58	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.3	-179.7	-65.3	-65.2	174.2	-175.3	0	109.7	T547 I590 L591 V600	T547-K572 HydrophobicContact CG2-CD 4.43Å; T547-K572 VanDerWaalsContact CG2-NZ 3.29Å; T547-K572 PolarHBondContact OG1-NZ 2.89Å; K572-I590 WeakPolarHBondContact O-CA 3.26Å; K572-L591 PolarHBondContact N-O 3.38Å; K572-L591 PolarHBondContact O-N 2.94Å; K572-V600 HydrophobicContact CB-CB 4.16Å; K572-V600 HydrophobicContact CB-CG1 3.83Å
573	L	98.4	Very high	90.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.8	-176.5	-56.2	89.6	0	0	0	109.9	T331 M465 G546 A548 H571 M589 I590	T331-L573 HydrophobicContact CG2-CB 3.82Å; M465-L573 HydrophobicContact CE-CD2 3.56Å; M465-L573 HydrophobicContact SD-CD2 3.81Å; G546-L573 PolarHBondContact N-O 2.64Å; G546-L573 PolarHBondContact O-N 2.98Å; A548-L573 HydrophobicContact CB-CD1 3.75Å; H571-L573 HydrophobicContact CB-CD1 4.38Å; L573-M589 WeakPolarHBondContact CA-O 3.41Å; L573-I590 HydrophobicContact CD1-CD1 4.43Å; L573-I590 HydrophobicContact CD2-CD1 4.12Å; L573-I590 HydrophobicContact CG-CB 4.26Å; L573-I590 HydrophobicContact CG-CD1 3.96Å; L573-I590 HydrophobicContact CG-CG1 3.98Å
574	M	98.7	Very high	91.7	Very high	5 Å²	5	47 Å²	47	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	131.3	173.1	-168	68	64	0	0	109.9	F534 A543 M589 V600 M604	F534-M574 HydrophobicContact CE2-SD 4.1Å; F534-M574 HydrophobicContact CZ-CG 4.37Å; F534-M574 HydrophobicContact CZ-SD 4.28Å; A543-M574 HydrophobicContact CB-SD 4.38Å; M574-M589 HydrophobicContact CB-CG 4.06Å; M574-M589 PolarHBondContact N-O 2.86Å; M574-M589 PolarHBondContact O-N 3.45Å; M574-V600 HydrophobicContact CB-CG1 4.23Å; M574-V600 HydrophobicContact CB-CG2 3.76Å; M574-V600 HydrophobicContact CE-CG1 3.95Å; M574-M604 HydrophobicContact CB-CE 3.79Å; M574-M604 HydrophobicContact CG-CB 4.11Å; M574-M604 HydrophobicContact CG-CE 3.61Å; M574-M604 HydrophobicContact CG-CG 3.95Å; M574-M604 WeakPolarHBondContact O-CE 3.44Å
575	T	98.9	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.2	164.5	54.7	0	0	0	0	109.2	T331 M465 A543 K544 V587 A588	T331-T575 HydrophobicContact CG2-CG2 4.34Å; M465-T575 HydrophobicContact CB-CG2 4.41Å; A543-T575 CarbonylContact C-O 3.59Å; A543-T575 WeakPolarHBondContact CA-O 3.4Å; A543-T575 WeakPolarHBondContact CB-O 3.38Å; K544-T575 PolarHBondContact N-O 3.49Å; K544-T575 PolarHBondContact O-N 3.39Å; K544-T575 PolarHBondContact O-OG1 2.66Å; T575-V587 CarbonylContact C-O 2.96Å; T575-V587 VanDerWaalsContact CA-O 3.25Å; T575-V587 WeakPolarHBondContact CA-O 3.47Å; T575-A588 HydrophobicContact CG2-CB 4.1Å
576	A	98.9	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.2	177.6	0	0	0	0	0	112	I541 A542 A543 A586 V587 M604 L608	I541-A576 HydrophobicContact CG2-CB 4.4Å; A542-A576 CarbonylContact O-C 3.57Å; A542-A576 WeakPolarHBondContact O-CA 3.22Å; A543-A576 HydrophobicContact CB-CB 3.9Å; A576-A586 CarbonylContact O-C 3.48Å; A576-A586 WeakPolarHBondContact O-CA 3.48Å; A576-V587 PolarHBondContact N-O 3.37Å; A576-V587 PolarHBondContact O-N 2.92Å; A576-M604 HydrophobicContact CB-CE 4.05Å; A576-M604 HydrophobicContact CB-CG 3.88Å; A576-M604 HydrophobicContact CB-SD 3.77Å; A576-L608 HydrophobicContact CB-CD1 4.08Å
577	F	98.9	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.5	170.2	66.6	-93.9	0	0	0	111.5	L469 I473 K516 M519 A542 Y580 P583 V585 A586	L469-F577 HydrophobicContact CD1-CD1 4.18Å; I473-F577 HydrophobicContact CD1-CB 3.54Å; I473-F577 HydrophobicContact CD1-CD1 3.87Å; I473-F577 HydrophobicContact CD1-CD2 4.41Å; I473-F577 HydrophobicContact CD1-CG 3.71Å; I473-F577 HydrophobicContact CG1-CB 4.32Å; I473-F577 HydrophobicContact CG1-CD1 3.83Å; I473-F577 HydrophobicContact CG1-CD2 4.34Å; I473-F577 HydrophobicContact CG1-CE1 4.14Å; I473-F577 HydrophobicContact CG1-CG 3.93Å; K516-F577 HydrophobicContact CB-CZ 4.32Å; K516-F577 HydrophobicContact CD-CZ 4.28Å; K516-F577 HydrophobicContact CG-CZ 4.13Å; M519-F577 HydrophobicContact CE-CD1 4.07Å; M519-F577 HydrophobicContact CE-CE1 3.92Å; M519-F577 HydrophobicContact SD-CE1 4.22Å; A542-F577 HydrophobicContact CB-CD1 4.09Å; A542-F577 HydrophobicContact CB-CD2 4.38Å; A542-F577 HydrophobicContact CB-CE1 3.52Å; A542-F577 HydrophobicContact CB-CE2 3.87Å; A542-F577 HydrophobicContact CB-CZ 3.41Å; A542-F577 VanDerWaalsContact CB-CZ 3.41Å; A542-F577 PolarHBondContact N-O 3.04Å; A542-F577 VanDerWaalsContact N-O 3.13Å; A542-F577 PolarHBondContact O-N 2.98Å; F577-Y580 AromaticContact CE2-CD2 3.88Å; F577-Y580 HydrophobicContact CE2-CD2 3.88Å; F577-Y580 AromaticContact CZ-CD2 3.97Å; F577-Y580 HydrophobicContact CZ-CD2 3.97Å; F577-Y580 HydrophobicContact CZ-CE2 4.24Å; F577-P583 HydrophobicContact CB-CB 4.48Å; F577-P583 HydrophobicContact CD2-CB 3.75Å; F577-P583 HydrophobicContact CD2-CG 3.43Å; F577-P583 VanDerWaalsContact CD2-CG 3.43Å; F577-P583 HydrophobicContact CE2-CB 4.42Å; F577-P583 HydrophobicContact CE2-CG 3.61Å; F577-P583 HydrophobicContact CG-CB 4.47Å; F577-P583 HydrophobicContact CG-CG 4.48Å; F577-V585 WeakPolarHBondContact CA-O 3.2Å; F577-V585 VanDerWaalsContact CB-O 3.27Å; F577-V585 WeakPolarHBondContact CB-O 3.36Å; F577-A586 HydrophobicContact CB-CB 4.39Å
578	A	98.6	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.1	-176.6	0	0	0	0	0	112.8	Y539 I541 Q584 V585 L608 M612	Y539-A578 HydrophobicContact CD2-CB 3.71Å; Y539-A578 HydrophobicContact CE2-CB 3.74Å; I541-A578 HydrophobicContact CG1-CB 4.47Å; A578-Q584 PolarHBondContact O-N 2.59Å; A578-V585 HydrophobicContact CB-CG1 4.29Å; A578-V585 PolarHBondContact N-O 2.7Å; A578-V585 PolarHBondContact O-N 2.98Å; A578-V585 VanDerWaalsContact O-N 3.15Å; A578-L608 HydrophobicContact CB-CD2 4.06Å; A578-M612 HydrophobicContact CB-CG 4.34Å; A578-M612 HydrophobicContact CB-SD 4.38Å
579	P	98.4	Very high	97.1	Very high	27 Å²	27	28.7 Å²	28.7	18%	0.175	14%	0.141	C	C	.	.	S	Bend	cis	-63.8	158.2	-23	-18.7	32.4	0	0	0	111.6	K540 N581 N582 P583 M612	K540-P579 CarbonylContact O-C 3.57Å; K540-P579 VanDerWaalsContact O-CA 3.27Å; K540-P579 WeakPolarHBondContact O-CA 3.34Å; P579-N581 VanDerWaalsContact C-N 3.31Å; P579-N581 PolarHBondContact O-N 3.41Å; P579-N582 CarbonylContact O-C 3.58Å; P579-P583 WeakPolarHBondContact O-CA 3.44Å; P579-P583 WeakPolarHBondContact O-CG 3.39Å; P579-M612 HydrophobicContact CG-CE 3.52Å; P579-M612 HydrophobicContact CG-SD 4.44Å
580	Y	98.4	Very high	97.6	Very high	30 Å²	30	24.8 Å²	24.8	12%	0.118	13%	0.126	C	C	.	.	S	Bend	trans	-54.7	-45	-179.8	178.6	-108.8	0	0	0	113.3	E513 K516 D517 Y520 K540 A542 F577	E513-Y580 PolarHBondContact OE1-OH 2.8Å; E513-Y580 PolarHBondContact OE2-OH 3.2Å; K516-Y580 HydrophobicContact CB-CE2 3.99Å; K516-Y580 WeakPolarHBondContact O-CE2 3.47Å; D517-Y580 WeakPolarHBondContact CA-OH 3.01Å; D517-Y580 PolarHBondContact N-OH 3.22Å; Y520-Y580 HydrophobicContact CD2-CD1 4.11Å; Y520-Y580 HydrophobicContact CD2-CD2 4.03Å; Y520-Y580 HydrophobicContact CD2-CE2 4.47Å; Y520-Y580 AromaticContact CD2-CG 3.8Å; Y520-Y580 HydrophobicContact CD2-CG 3.8Å; Y520-Y580 HydrophobicContact CG-CD2 4.38Å; Y520-Y580 HydrophobicContact CG-CE2 4.4Å; Y520-Y580 HydrophobicContact CG-CG 4.48Å; K540-Y580 PolarHBondContact O-N 2.82Å; A542-Y580 HydrophobicContact CB-CD2 3.74Å; A542-Y580 HydrophobicContact CB-CE2 4.27Å; F577-Y580 AromaticContact CE2-CD2 3.88Å; F577-Y580 HydrophobicContact CE2-CD2 3.88Å; F577-Y580 AromaticContact CZ-CD2 3.97Å; F577-Y580 HydrophobicContact CZ-CD2 3.97Å; F577-Y580 HydrophobicContact CZ-CE2 4.24Å
581	N	94.7	Very high	98	Very high	110 Å²	110	24.3 Å²	24.3	59%	0.588	12%	0.124	S	C	*	.	S	Bend	trans	-70.8	-40.4	-170.4	-60.6	20.4	0	0	0	113.1	P579	P579-N581 VanDerWaalsContact C-N 3.31Å; P579-N581 PolarHBondContact O-N 3.41Å
582	N	96.8	Very high	98.1	Very high	130 Å²	130	24 Å²	24	70%	0.695	12%	0.122	S	C	*	.	S	Bend	trans	-140.6	82.9	179.5	-81.1	-29.8	0	0	0	107.6	P579 Q584	P579-N582 CarbonylContact O-C 3.58Å; N582-Q584 PolarHBondContact O-N 3.42Å
583	P	98.3	Very high	97.9	Very high	24 Å²	24	21 Å²	21	16%	0.156	11%	0.11	C	C	.	.			trans	-60.3	124	-173.9	-27.5	38.6	0	0	0	112	P278 I473 F577 P579	P278-P583 HydrophobicContact CG-CB 3.98Å; I473-P583 HydrophobicContact CG2-CB 3.78Å; I473-P583 HydrophobicContact CG2-CG 3.83Å; F577-P583 HydrophobicContact CB-CB 4.48Å; F577-P583 HydrophobicContact CD2-CB 3.75Å; F577-P583 HydrophobicContact CD2-CG 3.43Å; F577-P583 VanDerWaalsContact CD2-CG 3.43Å; F577-P583 HydrophobicContact CE2-CB 4.42Å; F577-P583 HydrophobicContact CE2-CG 3.61Å; F577-P583 HydrophobicContact CG-CB 4.47Å; F577-P583 HydrophobicContact CG-CG 4.48Å; P579-P583 WeakPolarHBondContact O-CA 3.44Å; P579-P583 WeakPolarHBondContact O-CG 3.39Å
584	Q	98.1	Very high	97.5	Very high	90 Å²	90	22 Å²	22	42%	0.421	12%	0.12	S	C	.	.			trans	-103.8	-22.4	176.8	-61.6	177	36.7	0	0	111.3	A578 N582	A578-Q584 PolarHBondContact O-N 2.59Å; N582-Q584 PolarHBondContact O-N 3.42Å
585	V	98.7	Very high	96.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.2	179.1	66.4	0	0	0	0	111.6	V275 T276 L284 F577 A578 V587 L608 I611 M612	V275-V585 HydrophobicContact CG1-CG2 3.24Å; T276-V585 CarbonylContact O-C 3.53Å; T276-V585 WeakPolarHBondContact O-CA 3.23Å; L284-V585 HydrophobicContact CD1-CG2 4.48Å; F577-V585 WeakPolarHBondContact CA-O 3.2Å; F577-V585 VanDerWaalsContact CB-O 3.27Å; F577-V585 WeakPolarHBondContact CB-O 3.36Å; A578-V585 HydrophobicContact CB-CG1 4.29Å; A578-V585 PolarHBondContact N-O 2.7Å; A578-V585 PolarHBondContact O-N 2.98Å; A578-V585 VanDerWaalsContact O-N 3.15Å; V585-V587 HydrophobicContact CG2-CG2 4.17Å; V585-L608 HydrophobicContact CG1-CD2 3.85Å; V585-I611 HydrophobicContact CB-CG2 4.34Å; V585-I611 HydrophobicContact CG1-CG2 4.13Å; V585-I611 HydrophobicContact CG2-CD1 3.9Å; V585-M612 HydrophobicContact CG1-SD 4.37Å
586	A	98.9	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.5	172.7	0	0	0	0	0	108.6	V275 T276 P278 L469 M470 I473 A576 F577	V275-A586 CarbonylContact C-O 3.49Å; V275-A586 WeakPolarHBondContact CA-O 3.27Å; T276-A586 PolarHBondContact N-O 2.88Å; T276-A586 PolarHBondContact O-N 2.93Å; T276-A586 PolarHBondContact OG1-O 2.84Å; P278-A586 HydrophobicContact CB-CB 4.44Å; P278-A586 HydrophobicContact CG-CB 4.45Å; L469-A586 HydrophobicContact CD2-CB 3.87Å; L469-A586 HydrophobicContact CG-CB 4.3Å; M470-A586 HydrophobicContact CG-CB 4.45Å; I473-A586 HydrophobicContact CD1-CB 3.68Å; A576-A586 CarbonylContact O-C 3.48Å; A576-A586 WeakPolarHBondContact O-CA 3.48Å; F577-A586 HydrophobicContact CB-CB 4.39Å
587	V	98.9	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.7	-177.5	-170.4	0	0	0	0	109.5	V273 V274 V275 T575 A576 V585 M604 I607 L608	V273-V587 HydrophobicContact CG1-CG1 4.01Å; V274-V587 CarbonylContact O-C 3.54Å; V274-V587 VanDerWaalsContact O-CA 3.31Å; V274-V587 WeakPolarHBondContact O-CA 3.43Å; V275-V587 HydrophobicContact CG1-CG2 4.2Å; V275-V587 HydrophobicContact CG2-CG1 4.15Å; V275-V587 HydrophobicContact CG2-CG2 4.17Å; T575-V587 CarbonylContact C-O 2.96Å; T575-V587 VanDerWaalsContact CA-O 3.25Å; T575-V587 WeakPolarHBondContact CA-O 3.47Å; A576-V587 PolarHBondContact N-O 3.37Å; A576-V587 PolarHBondContact O-N 2.92Å; V585-V587 HydrophobicContact CG2-CG2 4.17Å; V587-M604 HydrophobicContact CB-CE 3.8Å; V587-M604 HydrophobicContact CB-SD 3.57Å; V587-M604 VanDerWaalsContact CB-SD 3.57Å; V587-M604 HydrophobicContact CG1-CE 3.67Å; V587-M604 HydrophobicContact CG1-SD 3.64Å; V587-M604 HydrophobicContact CG2-SD 4.1Å; V587-I607 HydrophobicContact CG2-CG2 4.4Å; V587-L608 HydrophobicContact CG2-CD2 3.98Å
588	A	98.9	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.7	166.2	0	0	0	0	0	108.9	V274 M465 T575	V274-A588 PolarHBondContact N-O 2.74Å; V274-A588 PolarHBondContact O-N 3.28Å; M465-A588 HydrophobicContact CB-CB 3.94Å; T575-A588 HydrophobicContact CG2-CB 4.1Å
589	M	98.7	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155	-179.9	72.3	179.9	-57.3	0	0	113.4	L266 A272 V273 L573 M574 L591 V600 L603 M604 I607	L266-M589 HydrophobicContact CD2-CE 4.3Å; A272-M589 CarbonylContact O-C 3.54Å; A272-M589 WeakPolarHBondContact O-CA 3.5Å; A272-M589 WeakPolarHBondContact O-CB 3.35Å; V273-M589 HydrophobicContact CB-CB 4.31Å; V273-M589 HydrophobicContact CG1-CB 4.45Å; V273-M589 HydrophobicContact CG2-CB 3.68Å; V273-M589 HydrophobicContact CG2-CE 3.87Å; L573-M589 WeakPolarHBondContact CA-O 3.41Å; M574-M589 HydrophobicContact CB-CG 4.06Å; M574-M589 PolarHBondContact N-O 2.86Å; M574-M589 PolarHBondContact O-N 3.45Å; M589-L591 HydrophobicContact CE-CD2 4.17Å; M589-V600 HydrophobicContact CE-CG2 3.86Å; M589-V600 HydrophobicContact CG-CG2 3.63Å; M589-V600 HydrophobicContact SD-CG2 3.68Å; M589-L603 HydrophobicContact CE-CB 3.9Å; M589-L603 HydrophobicContact CE-CD1 4.27Å; M589-M604 HydrophobicContact CG-CE 3.64Å; M589-M604 HydrophobicContact SD-CB 3.92Å; M589-M604 HydrophobicContact SD-CE 3.76Å; M589-M604 HydrophobicContact SD-SD 4.34Å; M589-I607 HydrophobicContact SD-CD1 4.47Å
590	I	98.4	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.5	174.7	-179.2	172	0	0	0	110.1	A271 A272 Y326 P462 H571 K572 L573	A271-I590 VanDerWaalsContact CA-O 3.23Å; A271-I590 WeakPolarHBondContact CA-O 3.43Å; A271-I590 WeakPolarHBondContact CB-O 3.33Å; A272-I590 HydrophobicContact CB-CG2 3.95Å; A272-I590 PolarHBondContact N-O 2.86Å; A272-I590 PolarHBondContact O-N 3.38Å; Y326-I590 HydrophobicContact CD1-CD1 3.68Å; Y326-I590 HydrophobicContact CD2-CD1 3.48Å; Y326-I590 VanDerWaalsContact CD2-CD1 3.48Å; Y326-I590 HydrophobicContact CD2-CG2 4.37Å; Y326-I590 HydrophobicContact CE1-CD1 4.05Å; Y326-I590 HydrophobicContact CE2-CD1 3.86Å; Y326-I590 HydrophobicContact CE2-CG2 4.01Å; Y326-I590 HydrophobicContact CG-CD1 3.37Å; P462-I590 HydrophobicContact CG-CG2 3.77Å; H571-I590 HydrophobicContact CB-CD1 3.9Å; H571-I590 HydrophobicContact CB-CG1 4.21Å; K572-I590 WeakPolarHBondContact O-CA 3.26Å; L573-I590 HydrophobicContact CD1-CD1 4.43Å; L573-I590 HydrophobicContact CD2-CD1 4.12Å; L573-I590 HydrophobicContact CG-CB 4.26Å; L573-I590 HydrophobicContact CG-CD1 3.96Å; L573-I590 HydrophobicContact CG-CG1 3.98Å
591	L	97.7	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.1	163.5	-53.8	-178	0	0	0	108.1	L266 A271 K572 M589 N593 G594 V600 L603	L266-L591 HydrophobicContact CD2-CD2 3.81Å; A271-L591 HydrophobicContact CB-CD2 3.55Å; K572-L591 PolarHBondContact N-O 3.38Å; K572-L591 PolarHBondContact O-N 2.94Å; M589-L591 HydrophobicContact CE-CD2 4.17Å; L591-N593 PolarHBondContact O-N 2.97Å; L591-G594 PolarHBondContact O-N 2.86Å; L591-V600 HydrophobicContact CD1-CB 3.84Å; L591-V600 HydrophobicContact CD1-CG2 4.34Å; L591-V600 HydrophobicContact CG-CB 4.05Å; L591-V600 HydrophobicContact CG-CG2 4.07Å; L591-L603 HydrophobicContact CD1-CD1 3.8Å; L591-L603 HydrophobicContact CD2-CD1 3.94Å; L591-L603 HydrophobicContact CG-CD1 4.43Å
592	E	96	Very high	95.1	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.089	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.1	130.3	174.1	-66	-175.2	-179.7	0	0	108.6	R270 R320 Y326 H571 G594 G595	R270-E592 HydrophobicContact CB-CB 3.85Å; R270-E592 HydrophobicContact CB-CG 4.11Å; R270-E592 WeakPolarHBondContact CB-OE2 3.37Å; R270-E592 WeakPolarHBondContact CD-OE2 3.42Å; R270-E592 IonicContact CZ-OE2 3.45Å; R270-E592 IonicContact NE-OE2 2.73Å; R270-E592 IonicContact NH1-OE2 3.31Å; R270-E592 PolarHBondContact NH1-OE2 3.04Å; R270-E592 WeakPolarHBondContact O-CB 3.41Å; R270-E592 PolarHBondContact O-N 3.49Å; R320-E592 IonicContact CZ-OE1 3.75Å; R320-E592 IonicContact CZ-OE2 2.66Å; R320-E592 VanDerWaalsContact NE-CD 3.31Å; R320-E592 IonicContact NE-OE1 3.79Å; R320-E592 PolarHBondContact NE-OE1 3.06Å; R320-E592 IonicContact NE-OE2 3.73Å; R320-E592 IonicContact NH2-OE1 2.61Å; R320-E592 IonicContact NH2-OE2 2.86Å; R320-E592 PolarHBondContact NH2-OE2 2.88Å; Y326-E592 HydrophobicContact CE1-CG 3.94Å; Y326-E592 WeakPolarHBondContact CE1-OE1 3.3Å; Y326-E592 PolarHBondContact OH-OE1 3.07Å; H571-E592 VanDerWaalsContact ND1-CA 3.33Å; H571-E592 WeakPolarHBondContact ND1-CA 3.47Å; E592-G594 PolarHBondContact O-N 3.47Å; E592-G595 PolarHBondContact O-N 3.16Å
593	N	93.7	Very high	95.2	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	61.1	18.6	175	-53.3	114.4	0	0	0	115.1	R270 E566 R567 R569 D570 H571 L591	R270-N593 PolarHBondContact NH1-OD1 3.35Å; R270-N593 PolarHBondContact NH2-OD1 2.97Å; E566-N593 WeakPolarHBondContact O-CB 3.39Å; R567-N593 PolarHBondContact O-ND2 2.73Å; R569-N593 HydrophobicContact CB-CB 4.19Å; R569-N593 WeakPolarHBondContact CB-O 3.47Å; R569-N593 WeakPolarHBondContact O-CA 3.25Å; R569-N593 PolarHBondContact O-ND2 3.35Å; D570-N593 CarbonylContact O-C 3.47Å; D570-N593 VanDerWaalsContact O-C 3.31Å; D570-N593 WeakPolarHBondContact O-CA 3.36Å; H571-N593 PolarHBondContact ND1-N 3.4Å; H571-N593 VanDerWaalsContact ND1-N 3.15Å; L591-N593 PolarHBondContact O-N 2.97Å
594	G	88.6	Confident	95.2	Very high	22 Å²	22	21.6 Å²	21.6	23%	0.227	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	91.2	-3.6	-179.1	0	0	0	0	0	114.8	D570 L591 E592	D570-G594 PolarHBondContact O-N 3.02Å; L591-G594 PolarHBondContact O-N 2.86Å; E592-G594 PolarHBondContact O-N 3.47Å
595	G	86.7	Confident	95.2	Very high	12 Å²	12	19.2 Å²	19.2	12%	0.124	14%	0.142	C	C	.	.			trans	78.6	173.8	-177.2	0	0	0	0	0	113.5	E592	E592-G595 PolarHBondContact O-N 3.16Å
596	A	83.5	Confident	95.1	Very high	76 Å²	76	21.3 Å²	21.3	63%	0.628	15%	0.152	S	C	*	.	S	Bend	trans	-91.6	-9.1	-178.2	0	0	0	0	0	113.8	G268 S269	G268-A596 WeakPolarHBondContact O-CB 3.17Å; S269-A596 PolarHBondContact OG-N 2.85Å
597	G	87.8	Confident	95.1	Very high	52 Å²	52	21.3 Å²	21.3	54%	0.536	15%	0.152	S	C	.	.	S	Bend	trans	-142.6	-124	-170	0	0	0	0	0	113.2
598	P	91.6	Very high	95	Very high	63 Å²	63	21.3 Å²	21.3	41%	0.409	15%	0.152	S	C	.	.	S	Bend	trans	-60.3	154.5	-177.2	-21.6	32.5	0	0	0	113.4	T602 L603	P598-T602 HydrophobicContact CB-CG2 4.15Å; P598-L603 HydrophobicContact CB-CD2 3.72Å; P598-L603 HydrophobicContact CB-CG 4.09Å; P598-L603 HydrophobicContact CG-CD2 3.8Å
599	A	95	Very high	95	Very high	43 Å²	43	22.1 Å²	22.1	36%	0.355	16%	0.156	S	C	.	.			trans	-63.5	148.4	173.9	0	0	0	0	0	111	Y533 G601 T602 L603	Y533-A599 HydrophobicContact CE1-CB 4.31Å; A599-G601 PolarHBondContact O-N 3.3Å; A599-T602 WeakPolarHBondContact O-CA 3.38Å; A599-T602 WeakPolarHBondContact O-CB 3.17Å; A599-T602 PolarHBondContact O-N 3.36Å; A599-L603 PolarHBondContact O-N 2.89Å; A599-L603 VanDerWaalsContact O-N 3.15Å
600	V	97.3	Very high	94.8	Very high	11 Å²	11	23.3 Å²	23.3	7%	0.067	16%	0.161	C	C	.	.	H	α-helix	trans	-52.2	-33.1	179.8	71.7	0	0	0	0	113.7	K572 M574 M589 L591 M604	K572-V600 HydrophobicContact CB-CB 4.16Å; K572-V600 HydrophobicContact CB-CG1 3.83Å; M574-V600 HydrophobicContact CB-CG1 4.23Å; M574-V600 HydrophobicContact CB-CG2 3.76Å; M574-V600 HydrophobicContact CE-CG1 3.95Å; M589-V600 HydrophobicContact CE-CG2 3.86Å; M589-V600 HydrophobicContact CG-CG2 3.63Å; M589-V600 HydrophobicContact SD-CG2 3.68Å; L591-V600 HydrophobicContact CD1-CB 3.84Å; L591-V600 HydrophobicContact CD1-CG2 4.34Å; L591-V600 HydrophobicContact CG-CB 4.05Å; L591-V600 HydrophobicContact CG-CG2 4.07Å; V600-M604 VanDerWaalsContact O-CB 3.3Å; V600-M604 WeakPolarHBondContact O-CB 3.49Å; V600-M604 PolarHBondContact O-N 3.43Å
601	G	97.1	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70	-34.6	176.7	0	0	0	0	0	113.7	F534 A599 R605	F534-G601 WeakPolarHBondContact CE1-O 3.34Å; A599-G601 PolarHBondContact O-N 3.3Å; G601-R605 WeakPolarHBondContact O-CB 3.09Å; G601-R605 PolarHBondContact O-N 2.93Å
602	T	97.4	Very high	94.6	Very high	57 Å²	57	28 Å²	28	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-68	-47.3	174.1	-58.1	0	0	0	0	110.4	P598 A599 M604 R605 Q606	P598-T602 HydrophobicContact CB-CG2 4.15Å; A599-T602 WeakPolarHBondContact O-CA 3.38Å; A599-T602 WeakPolarHBondContact O-CB 3.17Å; A599-T602 PolarHBondContact O-N 3.36Å; T602-M604 PolarHBondContact O-N 3.12Å; T602-R605 WeakPolarHBondContact O-CB 3.34Å; T602-R605 PolarHBondContact O-N 3.05Å; T602-R605 VanDerWaalsContact O-N 3.16Å; T602-Q606 WeakPolarHBondContact O-CG 3.43Å; T602-Q606 PolarHBondContact O-N 3.42Å
603	L	97.6	Very high	94.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-44.1	177	-61.4	-175.3	0	0	0	111.6	L265 L266 M589 L591 P598 A599 R605 Q606 I607	L265-L603 HydrophobicContact CB-CD2 4.41Å; L266-L603 HydrophobicContact CD2-CD1 4.03Å; M589-L603 HydrophobicContact CE-CB 3.9Å; M589-L603 HydrophobicContact CE-CD1 4.27Å; L591-L603 HydrophobicContact CD1-CD1 3.8Å; L591-L603 HydrophobicContact CD2-CD1 3.94Å; L591-L603 HydrophobicContact CG-CD1 4.43Å; P598-L603 HydrophobicContact CB-CD2 3.72Å; P598-L603 HydrophobicContact CB-CG 4.09Å; P598-L603 HydrophobicContact CG-CD2 3.8Å; A599-L603 PolarHBondContact O-N 2.89Å; A599-L603 VanDerWaalsContact O-N 3.15Å; L603-R605 VanDerWaalsContact C-N 3.29Å; L603-R605 PolarHBondContact O-N 3.01Å; L603-Q606 PolarHBondContact O-N 2.83Å; L603-I607 VanDerWaalsContact O-CG1 3.31Å; L603-I607 WeakPolarHBondContact O-CG1 3.28Å; L603-I607 PolarHBondContact O-N 3.45Å
604	M	98.4	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-43.5	174.5	-178.9	63.4	79.9	0	0	111.8	F534 M574 A576 V587 M589 V600 T602 I607 L608	F534-M604 HydrophobicContact CE1-CB 4.04Å; F534-M604 HydrophobicContact CE1-CG 3.84Å; F534-M604 HydrophobicContact CZ-CB 3.93Å; F534-M604 HydrophobicContact CZ-CG 3.67Å; M574-M604 HydrophobicContact CB-CE 3.79Å; M574-M604 HydrophobicContact CG-CB 4.11Å; M574-M604 HydrophobicContact CG-CE 3.61Å; M574-M604 HydrophobicContact CG-CG 3.95Å; M574-M604 WeakPolarHBondContact O-CE 3.44Å; A576-M604 HydrophobicContact CB-CE 4.05Å; A576-M604 HydrophobicContact CB-CG 3.88Å; A576-M604 HydrophobicContact CB-SD 3.77Å; V587-M604 HydrophobicContact CB-CE 3.8Å; V587-M604 HydrophobicContact CB-SD 3.57Å; V587-M604 VanDerWaalsContact CB-SD 3.57Å; V587-M604 HydrophobicContact CG1-CE 3.67Å; V587-M604 HydrophobicContact CG1-SD 3.64Å; V587-M604 HydrophobicContact CG2-SD 4.1Å; M589-M604 HydrophobicContact CG-CE 3.64Å; M589-M604 HydrophobicContact SD-CB 3.92Å; M589-M604 HydrophobicContact SD-CE 3.76Å; M589-M604 HydrophobicContact SD-SD 4.34Å; V600-M604 VanDerWaalsContact O-CB 3.3Å; V600-M604 WeakPolarHBondContact O-CB 3.49Å; V600-M604 PolarHBondContact O-N 3.43Å; T602-M604 PolarHBondContact O-N 3.12Å; M604-I607 PolarHBondContact O-N 3.4Å; M604-L608 HydrophobicContact CG-CD1 4.14Å; M604-L608 WeakPolarHBondContact O-CG 3.4Å; M604-L608 PolarHBondContact O-N 2.86Å; M604-L608 HydrophobicContact SD-CD1 4.34Å; M604-L608 HydrophobicContact SD-CG 4.38Å
605	R	97.9	Very high	93.1	Very high	40 Å²	40	36.1 Å²	36.1	15%	0.151	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178.3	173.6	60	-171.7	-78.7	-8.9	111.4	Y533 F534 S536 G601 T602 L603 L608 D609	Y533-R605 WeakPolarHBondContact O-CG 3.37Å; Y533-R605 PolarHBondContact O-NH1 3.01Å; Y533-R605 VanDerWaalsContact O-NH1 3.1Å; F534-R605 HydrophobicContact CD1-CB 4.07Å; F534-R605 HydrophobicContact CE1-CB 3.92Å; S536-R605 PolarHBondContact OG-NH1 2.78Å; G601-R605 WeakPolarHBondContact O-CB 3.09Å; G601-R605 PolarHBondContact O-N 2.93Å; T602-R605 WeakPolarHBondContact O-CB 3.34Å; T602-R605 PolarHBondContact O-N 3.05Å; T602-R605 VanDerWaalsContact O-N 3.16Å; L603-R605 VanDerWaalsContact C-N 3.29Å; L603-R605 PolarHBondContact O-N 3.01Å; R605-L608 PolarHBondContact O-N 3.09Å; R605-D609 IonicContact CZ-OD1 2.72Å; R605-D609 IonicContact CZ-OD2 3.64Å; R605-D609 VanDerWaalsContact CZ-OD2 3.31Å; R605-D609 IonicContact NE-OD1 3.76Å; R605-D609 PolarHBondContact NE-OD1 3.26Å; R605-D609 IonicContact NE-OD2 3.53Å; R605-D609 PolarHBondContact NE-OD2 3.43Å; R605-D609 IonicContact NH2-OD1 2.71Å; R605-D609 IonicContact NH2-OD2 3.03Å; R605-D609 PolarHBondContact NH2-OD2 3.03Å; R605-D609 VanDerWaalsContact NH2-OD2 3.07Å; R605-D609 WeakPolarHBondContact O-CB 3.31Å; R605-D609 PolarHBondContact O-N 3.24Å
606	Q	97.2	Very high	92.4	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.6	-70.6	174.2	-62	0	0	111.9	L265 T602 L603 L608 D609 H610	L265-Q606 HydrophobicContact CD1-CB 3.99Å; T602-Q606 WeakPolarHBondContact O-CG 3.43Å; T602-Q606 PolarHBondContact O-N 3.42Å; L603-Q606 PolarHBondContact O-N 2.83Å; Q606-L608 PolarHBondContact O-N 3.27Å; Q606-D609 PolarHBondContact O-N 3.47Å; Q606-H610 WeakPolarHBondContact O-CB 3.43Å; Q606-H610 PolarHBondContact O-N 2.73Å
607	I	98	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-47	175.6	-66	169.9	0	0	0	111	I262 L265 V273 V275 V587 M589 L603 M604 H610 I611	I262-I607 HydrophobicContact CD1-CD1 4.48Å; I262-I607 HydrophobicContact CD1-CG2 4.28Å; I262-I607 HydrophobicContact CG1-CD1 4.04Å; I262-I607 HydrophobicContact CG1-CG1 4Å; I262-I607 HydrophobicContact CG1-CG2 4.45Å; L265-I607 HydrophobicContact CD1-CG1 3.78Å; V273-I607 HydrophobicContact CG1-CD1 4.17Å; V273-I607 HydrophobicContact CG2-CD1 4.38Å; V275-I607 HydrophobicContact CG2-CG2 4.33Å; V587-I607 HydrophobicContact CG2-CG2 4.4Å; M589-I607 HydrophobicContact SD-CD1 4.47Å; L603-I607 VanDerWaalsContact O-CG1 3.31Å; L603-I607 WeakPolarHBondContact O-CG1 3.28Å; L603-I607 PolarHBondContact O-N 3.45Å; M604-I607 PolarHBondContact O-N 3.4Å; I607-H610 PolarHBondContact O-N 3.43Å; I607-I611 HydrophobicContact CG2-CD1 3.86Å; I607-I611 WeakPolarHBondContact O-CD1 3.33Å; I607-I611 VanDerWaalsContact O-CG1 3.25Å; I607-I611 WeakPolarHBondContact O-CG1 3.1Å; I607-I611 PolarHBondContact O-N 3.49Å; I607-I611 VanDerWaalsContact O-N 3.11Å
608	L	98.2	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-38.2	179.2	-66	173.4	0	0	0	112	Y539 I541 A576 A578 V585 V587 M604 R605 Q606 I611 M612	Y539-L608 HydrophobicContact CE2-CB 3.99Å; Y539-L608 WeakPolarHBondContact OH-CB 3.44Å; Y539-L608 PolarHBondContact OH-O 2.94Å; I541-L608 HydrophobicContact CD1-CD1 3.88Å; I541-L608 HydrophobicContact CG1-CD1 4.09Å; I541-L608 HydrophobicContact CG2-CD1 3.94Å; A576-L608 HydrophobicContact CB-CD1 4.08Å; A578-L608 HydrophobicContact CB-CD2 4.06Å; V585-L608 HydrophobicContact CG1-CD2 3.85Å; V587-L608 HydrophobicContact CG2-CD2 3.98Å; M604-L608 HydrophobicContact CG-CD1 4.14Å; M604-L608 WeakPolarHBondContact O-CG 3.4Å; M604-L608 PolarHBondContact O-N 2.86Å; M604-L608 HydrophobicContact SD-CD1 4.34Å; M604-L608 HydrophobicContact SD-CG 4.38Å; R605-L608 PolarHBondContact O-N 3.09Å; Q606-L608 PolarHBondContact O-N 3.27Å; L608-I611 PolarHBondContact O-N 3.29Å; L608-M612 VanDerWaalsContact O-CB 3.24Å; L608-M612 WeakPolarHBondContact O-CB 3.36Å; L608-M612 WeakPolarHBondContact O-CG 3.27Å; L608-M612 PolarHBondContact O-N 3.31Å
609	D	97.3	Very high	89.2	Confident	16 Å²	16	44.1 Å²	44.1	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-41.4	176.6	-78	-5.1	0	0	0	111.2	Y539 R605 Q606 I611 M612 L613 G614 D615	Y539-D609 VanDerWaalsContact CE1-OD1 3.23Å; Y539-D609 WeakPolarHBondContact CE1-OD1 3.49Å; Y539-D609 VanDerWaalsContact CZ-OD1 3.3Å; Y539-D609 PolarHBondContact OH-N 3.3Å; Y539-D609 VanDerWaalsContact OH-N 3.07Å; Y539-D609 PolarHBondContact OH-OD1 3.21Å; R605-D609 IonicContact CZ-OD1 2.72Å; R605-D609 IonicContact CZ-OD2 3.64Å; R605-D609 VanDerWaalsContact CZ-OD2 3.31Å; R605-D609 IonicContact NE-OD1 3.76Å; R605-D609 PolarHBondContact NE-OD1 3.26Å; R605-D609 IonicContact NE-OD2 3.53Å; R605-D609 PolarHBondContact NE-OD2 3.43Å; R605-D609 IonicContact NH2-OD1 2.71Å; R605-D609 IonicContact NH2-OD2 3.03Å; R605-D609 PolarHBondContact NH2-OD2 3.03Å; R605-D609 VanDerWaalsContact NH2-OD2 3.07Å; R605-D609 WeakPolarHBondContact O-CB 3.31Å; R605-D609 PolarHBondContact O-N 3.24Å; Q606-D609 PolarHBondContact O-N 3.47Å; D609-I611 PolarHBondContact O-N 2.91Å; D609-M612 PolarHBondContact O-N 3.46Å; D609-L613 WeakPolarHBondContact O-CA 3.41Å; D609-L613 VanDerWaalsContact O-CB 3.28Å; D609-L613 WeakPolarHBondContact O-CB 3.14Å; D609-L613 PolarHBondContact O-N 2.89Å; D609-G614 PolarHBondContact O-N 3.43Å; D609-D615 HydrophobicContact CB-CB 4.25Å
610	H	96.3	Very high	87.8	Confident	25 Å²	25	44.7 Å²	44.7	12%	0.116	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-47.1	174.2	179.3	78	0	0	0	111.7	Y261 Q606 I607 G614 D615 N616	Y261-H610 HydrophobicContact CD1-CB 3.89Å; Y261-H610 AromaticContact CD1-CD2 3.71Å; Y261-H610 AromaticContact CD1-CG 3.61Å; Y261-H610 AromaticContact CD2-ND1 3.93Å; Y261-H610 HydrophobicContact CE1-CB 3.42Å; Y261-H610 VanDerWaalsContact CE1-CB 3.42Å; Y261-H610 AromaticContact CE1-CG 3.65Å; Y261-H610 AromaticContact CG-CE1 3.97Å; Y261-H610 AromaticContact CG-CG 3.97Å; Y261-H610 AromaticContact CG-ND1 3.95Å; Q606-H610 WeakPolarHBondContact O-CB 3.43Å; Q606-H610 PolarHBondContact O-N 2.73Å; I607-H610 PolarHBondContact O-N 3.43Å; H610-G614 WeakPolarHBondContact O-CA 3.39Å; H610-G614 PolarHBondContact O-N 2.78Å; H610-D615 WeakPolarHBondContact CA-O 3.35Å; H610-D615 PolarHBondContact ND1-O 2.93Å; H610-D615 VanDerWaalsContact ND1-O 3.15Å; H610-N616 PolarHBondContact CE1-OD1 3.43Å; H610-N616 PolarHBondContact ND1-OD1 3.3Å
611	I	96.9	Very high	86	Confident	55 Å²	55	47.7 Å²	47.7	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-69.6	-42.7	-179	-64.5	166.9	0	0	0	112	L258 V275 V585 I607 L608 D609	L258-I611 HydrophobicContact CD1-CD1 3.82Å; L258-I611 HydrophobicContact CD1-CG1 3.65Å; L258-I611 HydrophobicContact CD2-CD1 4.02Å; L258-I611 HydrophobicContact CD2-CG1 4.22Å; V275-I611 HydrophobicContact CG1-CD1 3.97Å; V585-I611 HydrophobicContact CB-CG2 4.34Å; V585-I611 HydrophobicContact CG1-CG2 4.13Å; V585-I611 HydrophobicContact CG2-CD1 3.9Å; I607-I611 HydrophobicContact CG2-CD1 3.86Å; I607-I611 WeakPolarHBondContact O-CD1 3.33Å; I607-I611 VanDerWaalsContact O-CG1 3.25Å; I607-I611 WeakPolarHBondContact O-CG1 3.1Å; I607-I611 PolarHBondContact O-N 3.49Å; I607-I611 VanDerWaalsContact O-N 3.11Å; L608-I611 PolarHBondContact O-N 3.29Å; D609-I611 PolarHBondContact O-N 2.91Å
612	M	95	Very high	83.9	Confident	45 Å²	45	52.3 Å²	52.3	22%	0.222	30%	0.304	C	S	.	.	H	α-helix	trans	-89	-26.8	-170.2	-64.2	-57.7	-44.9	0	0	113.8	Y539 A578 P579 V585 L608 D609	Y539-M612 HydrophobicContact CD1-CB 3.63Å; Y539-M612 HydrophobicContact CD1-CG 4.12Å; Y539-M612 HydrophobicContact CD2-CB 4.27Å; Y539-M612 HydrophobicContact CD2-CG 3.81Å; Y539-M612 HydrophobicContact CE1-CB 3.63Å; Y539-M612 HydrophobicContact CE1-CG 4.09Å; Y539-M612 HydrophobicContact CE2-CB 4.21Å; Y539-M612 HydrophobicContact CE2-CG 3.71Å; Y539-M612 HydrophobicContact CG-CB 4Å; Y539-M612 HydrophobicContact CG-CG 4.02Å; A578-M612 HydrophobicContact CB-CG 4.34Å; A578-M612 HydrophobicContact CB-SD 4.38Å; P579-M612 HydrophobicContact CG-CE 3.52Å; P579-M612 HydrophobicContact CG-SD 4.44Å; V585-M612 HydrophobicContact CG1-SD 4.37Å; L608-M612 VanDerWaalsContact O-CB 3.24Å; L608-M612 WeakPolarHBondContact O-CB 3.36Å; L608-M612 WeakPolarHBondContact O-CG 3.27Å; L608-M612 PolarHBondContact O-N 3.31Å; D609-M612 PolarHBondContact O-N 3.46Å
613	L	90.4	Very high	81.9	Confident	100 Å²	100	56.3 Å²	56.3	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-120.7	-11.2	-174.6	-54.1	176.4	0	0	0	113	P538 Y539 D609 D615	P538-L613 HydrophobicContact CG-CD1 3.98Å; P538-L613 HydrophobicContact CG-CD2 4.1Å; Y539-L613 HydrophobicContact CD1-CD2 4.27Å; Y539-L613 HydrophobicContact CD1-CG 4.29Å; Y539-L613 HydrophobicContact CE1-CD1 4.14Å; Y539-L613 HydrophobicContact CE1-CG 4.1Å; D609-L613 WeakPolarHBondContact O-CA 3.41Å; D609-L613 VanDerWaalsContact O-CB 3.28Å; D609-L613 WeakPolarHBondContact O-CB 3.14Å; D609-L613 PolarHBondContact O-N 2.89Å; L613-D615 VanDerWaalsContact C-N 3.27Å
614	G	84.6	Confident	79.8	Confident	48 Å²	48	58.4 Å²	58.4	50%	0.495	33%	0.33	S	S	.	.			trans	69.7	24.3	-170.5	0	0	0	0	0	113	D609 H610 N616	D609-G614 PolarHBondContact O-N 3.43Å; H610-G614 WeakPolarHBondContact O-CA 3.39Å; H610-G614 PolarHBondContact O-N 2.78Å; G614-N616 PolarHBondContact O-N 3.07Å; G614-N616 VanDerWaalsContact O-N 3.15Å
615	D	71.7	Confident	76.9	Confident	67 Å²	67	63.4 Å²	63.4	36%	0.358	36%	0.363	S	S	.	.			trans	-67.9	109.7	179.1	-174.4	18.6	0	0	0	110.4	D609 H610 L613	D609-D615 HydrophobicContact CB-CB 4.25Å; H610-D615 WeakPolarHBondContact CA-O 3.35Å; H610-D615 PolarHBondContact ND1-O 2.93Å; H610-D615 VanDerWaalsContact ND1-O 3.15Å; L613-D615 VanDerWaalsContact C-N 3.27Å
616	N	70.4	Confident	74.5	Confident	108 Å²	108	62.8 Å²	62.8	58%	0.578	37%	0.366	S	S	*	.			trans	-101.6	77.3	177.3	-70.9	-22.3	0	0	0	109.1	H610 G614 T618	H610-N616 PolarHBondContact CE1-OD1 3.43Å; H610-N616 PolarHBondContact ND1-OD1 3.3Å; G614-N616 PolarHBondContact O-N 3.07Å; G614-N616 VanDerWaalsContact O-N 3.15Å; N616-T618 PolarHBondContact O-N 3.26Å
617	N	71.2	Confident	72.3	Confident	70 Å²	70	61.2 Å²	61.2	37%	0.374	36%	0.36	S	S	.	.			trans	-87.3	13	178.2	62.6	21	0	0	0	113.8	Y261	Y261-N617 WeakPolarHBondContact CE2-OD1 3.22Å; Y261-N617 PolarHBondContact OH-ND2 3.41Å; Y261-N617 PolarHBondContact OH-OD1 3.09Å
618	T	62.9	Low	69.4	Low	31 Å²	31	64.2 Å²	64.2	19%	0.19	38%	0.384	C	S	.	.	S	Bend	trans	-135.8	142.4	174.2	61.4	0	0	0	0	110.4	Y261 T264 L265 N616 L620	Y261-T618 HydrophobicContact CD2-CG2 4.43Å; Y261-T618 WeakPolarHBondContact CD2-OG1 3.34Å; Y261-T618 HydrophobicContact CE2-CG2 3.86Å; Y261-T618 WeakPolarHBondContact CE2-OG1 3.05Å; T264-T618 HydrophobicContact CG2-CG2 4.4Å; L265-T618 HydrophobicContact CD2-CG2 3.78Å; N616-T618 PolarHBondContact O-N 3.26Å; T618-L620 PolarHBondContact O-N 2.85Å
619	D	63.3	Low	66.7	Low	162 Å²	162	67.1 Å²	67.1	87%	0.866	41%	0.408	S	S	*	.			trans	-74.8	112	169.8	-63.9	-38.5	0	0	0	109.5
620	L	65.4	Low	63.9	Low	55 Å²	55	68.5 Å²	68.5	29%	0.288	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-72.4	148.6	172.8	-66.2	176.5	0	0	0	109.9	Q260 T618 A622	Q260-L620 HydrophobicContact CB-CD2 4.14Å; T618-L620 PolarHBondContact O-N 2.85Å; L620-A622 PolarHBondContact O-N 3.07Å
621	P	59.9	Low	61.1	Low	75 Å²	75	75 Å²	75	49%	0.487	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-54.1	137.1	170.1	-20.5	30.9	0	0	0	110.1	E623	P621-E623 PolarHBondContact O-N 3.29Å
622	A	51.9	Low	58.1	Low	97 Å²	97	78.9 Å²	78.9	80%	0.802	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-54.1	140.9	174.1	0	0	0	0	0	110.3	L620 N624	L620-A622 PolarHBondContact O-N 3.07Å; A622-N624 PolarHBondContact O-N 3.5Å
623	E	54.8	Low	55	Low	140 Å²	140	87.7 Å²	87.7	65%	0.654	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-53.3	133.9	176.3	-79.1	178.8	177.5	0	0	110.3	P621 P625	P621-E623 PolarHBondContact O-N 3.29Å; E623-P625 WeakPolarHBondContact O-CD 3.37Å
624	N	53.8	Low	53.3	Low	48 Å²	48	87.1 Å²	87.1	26%	0.257	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-64.4	122.9	-179	-170.7	-28.8	0	0	0	109	Y165 P167 A622 A626 V627	Y165-N624 PolarHBondContact OH-ND2 2.8Å; P167-N624 HydrophobicContact CB-CB 4.46Å; P167-N624 PolarHBondContact O-ND2 2.77Å; A622-N624 PolarHBondContact O-N 3.5Å; N624-A626 PolarHBondContact O-N 3.07Å; N624-A626 WeakPolarHBondContact OD1-CB 3.47Å; N624-A626 PolarHBondContact OD1-N 3.11Å; N624-V627 HydrophobicContact CB-CG2 4.36Å; N624-V627 PolarHBondContact O-N 3.07Å
625	P	37.4	Very low	51.6	Low	105 Å²	105	89.1 Å²	89.1	68%	0.682	51%	0.514	S	S	*	.	H	α-helix	trans	-55	-24.5	-176.4	-24	30.4	0	0	0	114	E623 V627 A628 A629	E623-P625 WeakPolarHBondContact O-CD 3.37Å; P625-V627 PolarHBondContact O-N 2.86Å; P625-A628 PolarHBondContact O-N 3.08Å; P625-A629 PolarHBondContact O-N 3.24Å
626	A	47.9	Very low	50.5	Low	26 Å²	26	90.3 Å²	90.3	22%	0.215	52%	0.523	C	S	.	.	H	α-helix	trans	-64.8	-20.5	177.4	0	0	0	0	0	114.8	Y165 N624	Y165-A626 HydrophobicContact CE1-CB 4.04Å; N624-A626 PolarHBondContact O-N 3.07Å; N624-A626 WeakPolarHBondContact OD1-CB 3.47Å; N624-A626 PolarHBondContact OD1-N 3.11Å
627	V	50.8	Low	49.3	Very low	13 Å²	13	89.3 Å²	89.3	8%	0.079	52%	0.52	C	S	.	.	H	α-helix	trans	-78.2	-41.1	176.1	-177.4	0	0	0	0	109.6	P78 P167 Y168 N624 P625 A629 A630	P78-V627 HydrophobicContact CG-CG1 4.49Å; P167-V627 HydrophobicContact CB-CG2 3.75Å; P167-V627 HydrophobicContact CG-CG2 4.18Å; Y168-V627 HydrophobicContact CE1-CG2 4.33Å; Y168-V627 WeakPolarHBondContact OH-CG2 3.41Å; N624-V627 HydrophobicContact CB-CG2 4.36Å; N624-V627 PolarHBondContact O-N 3.07Å; P625-V627 PolarHBondContact O-N 2.86Å; V627-A629 VanDerWaalsContact C-N 3.29Å; V627-A629 PolarHBondContact O-N 3.23Å; V627-A630 PolarHBondContact O-N 3.16Å; V627-A630 VanDerWaalsContact O-N 3.1Å
628	A	37.6	Very low	47.9	Very low	62 Å²	62	90.5 Å²	90.5	51%	0.512	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-34.9	176.4	0	0	0	0	0	112.7	P625 A630 E631	P625-A628 PolarHBondContact O-N 3.08Å; A628-A630 VanDerWaalsContact C-N 3.29Å; A628-A630 PolarHBondContact O-N 2.99Å; A628-E631 PolarHBondContact O-N 3.26Å
629	A	41.9	Very low	46.9	Very low	61 Å²	61	94.5 Å²	94.5	50%	0.504	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-17.5	177.4	0	0	0	0	0	114.2	P625 V627	P625-A629 PolarHBondContact O-N 3.24Å; V627-A629 VanDerWaalsContact C-N 3.29Å; V627-A629 PolarHBondContact O-N 3.23Å
630	A	38.4	Very low	45.8	Very low	46 Å²	46	89.6 Å²	89.6	38%	0.38	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.6	177.5	0	0	0	0	0	113	V627 A628	V627-A630 PolarHBondContact O-N 3.16Å; V627-A630 VanDerWaalsContact O-N 3.1Å; A628-A630 VanDerWaalsContact C-N 3.29Å; A628-A630 PolarHBondContact O-N 2.99Å
631	E	37	Very low	44.3	Very low	160 Å²	160	92.3 Å²	92.3	75%	0.748	55%	0.548	S	S	*	.	S	Bend	trans	-85.1	-11.6	174.5	-67.4	-174.7	162.1	0	0	112.9	A628	A628-E631 PolarHBondContact O-N 3.26Å
632	D	33.5	Very low	43	Very low	138 Å²	138	93.8 Å²	93.8	74%	0.738	55%	0.553	S	S	*	*			trans	-98	8.9	-179.1	-80.9	-23.2	0	0	0	114.4
633	H	30.8	Very low	42.2	Very low	229 Å²	229	93.5 Å²	93.5	100%	1.06	53%	0.53	S	S	*	.			trans	-137.7	0	176.9	-70.4	-31.2	0	0	0	111.8

Retrieved 633 of 633 residues in 403.5 ms (Link to these results)

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