A0A087YJN4_POEFO Loading...

Inositol polyphosphate-5-phosphatase K

AlphaFold DB , UniProt , Accession A0A087YJN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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	49.6	Very low	54.3	Low	211 Å²	211	103.9 Å²	103.9	100%	1.039	58%	0.584	S	S	*	*				0	120.9	0	-60.7	-172.1	71.3	0	0	105
2	S	49.9	Very low	54.4	Low	59 Å²	59	100.8 Å²	100.8	41%	0.413	57%	0.574	S	S	.	*			trans	-77.5	156.3	-168.6	74.1	0	0	0	0	109.6	D4 D5	S2-D4 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact N-OD2 3.29Å; S2-D5 PolarHBondContact O-N 3.06Å; S2-D5 PolarHBondContact OG-OD2 2.95Å
3	S	51.3	Low	54.7	Low	91 Å²	91	103.8 Å²	103.8	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-57.5	-18.3	175.8	50.4	0	0	0	0	113.7	A7	S3-A7 PolarHBondContact O-N 3.22Å
4	D	53.5	Low	55.3	Low	123 Å²	123	101.2 Å²	101.2	66%	0.658	56%	0.559	S	S	*	*	H	α-helix	trans	-81.4	-25.2	-179.6	-60.5	-12.9	0	0	0	111.4	S2 G8	S2-D4 PolarHBondContact O-N 3.24Å; D4-G8 PolarHBondContact O-N 3.41Å; D4-G8 VanDerWaalsContact O-N 3.15Å
5	D	54.9	Low	55	Low	84 Å²	84	100.4 Å²	100.4	45%	0.449	55%	0.553	S	S	.	*	H	α-helix	trans	-74.6	-40.4	176.8	-56.6	-44.9	0	0	0	111.3	S2 G8 E9	S2-D5 PolarHBondContact N-OD2 3.29Å; S2-D5 PolarHBondContact O-N 3.06Å; S2-D5 PolarHBondContact OG-OD2 2.95Å; D5-G8 PolarHBondContact O-N 2.95Å; D5-E9 PolarHBondContact O-N 3.46Å; D5-E9 VanDerWaalsContact O-N 3.09Å
6	E	55.7	Low	54.9	Low	141 Å²	141	100.1 Å²	100.1	66%	0.659	55%	0.55	S	S	*	.	H	α-helix	trans	-66.6	-37.3	175.5	-83.7	-179.5	163.3	0	0	111.9	E10	E6-E10 WeakPolarHBondContact O-CB 3.21Å; E6-E10 PolarHBondContact O-N 2.95Å
7	A	54.5	Low	54.8	Low	50 Å²	50	99.6 Å²	99.6	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-68.2	-36.2	176.3	0	0	0	0	0	112	S3 V11	S3-A7 PolarHBondContact O-N 3.22Å; A7-V11 WeakPolarHBondContact O-CB 3.39Å; A7-V11 WeakPolarHBondContact O-CG2 3.4Å; A7-V11 PolarHBondContact O-N 3.07Å
8	G	54.3	Low	54.5	Low	43 Å²	43	96.6 Å²	96.6	44%	0.443	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-44.9	174.6	0	0	0	0	0	112.8	D4 D5 V11 S12	D4-G8 PolarHBondContact O-N 3.41Å; D4-G8 VanDerWaalsContact O-N 3.15Å; D5-G8 PolarHBondContact O-N 2.95Å; G8-V11 PolarHBondContact O-N 2.87Å; G8-S12 WeakPolarHBondContact O-CB 3.49Å; G8-S12 PolarHBondContact O-N 3.1Å
9	E	57.6	Low	54.5	Low	139 Å²	139	99.2 Å²	99.2	65%	0.65	54%	0.539	S	S	*	.	H	α-helix	trans	-64.2	-39.7	175.7	-79.5	-174.5	163.8	0	0	112.4	D5 S12 R13	D5-E9 PolarHBondContact O-N 3.46Å; D5-E9 VanDerWaalsContact O-N 3.09Å; E9-S12 PolarHBondContact O-N 3.17Å; E9-R13 WeakPolarHBondContact O-CB 3.22Å; E9-R13 PolarHBondContact O-N 3.35Å
10	E	55.8	Low	54.3	Low	118 Å²	118	100.7 Å²	100.7	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-71.6	-34.5	-179.9	-167.9	157.9	-154	0	0	112.6	E6 T14	E6-E10 WeakPolarHBondContact O-CB 3.21Å; E6-E10 PolarHBondContact O-N 2.95Å; E10-T14 WeakPolarHBondContact O-CB 3.24Å; E10-T14 PolarHBondContact O-N 3.09Å; E10-T14 PolarHBondContact O-OG1 3.1Å
11	V	60.6	Low	54.1	Low	84 Å²	84	101.2 Å²	101.2	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-41.4	172.7	172.2	0	0	0	0	111.5	A7 G8 T14 L15	A7-V11 WeakPolarHBondContact O-CB 3.39Å; A7-V11 WeakPolarHBondContact O-CG2 3.4Å; A7-V11 PolarHBondContact O-N 3.07Å; G8-V11 PolarHBondContact O-N 2.87Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 3.05Å; V11-T14 PolarHBondContact O-OG1 3.41Å; V11-T14 VanDerWaalsContact O-OG1 3.05Å; V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 WeakPolarHBondContact O-CB 3.38Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 2.92Å
12	S	54.7	Low	54	Low	66 Å²	66	94.7 Å²	94.7	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.1	-175.5	0	0	0	0	111.5	G8 E9 T14 L15 D16	G8-S12 WeakPolarHBondContact O-CB 3.49Å; G8-S12 PolarHBondContact O-N 3.1Å; E9-S12 PolarHBondContact O-N 3.17Å; S12-T14 VanDerWaalsContact C-N 3.34Å; S12-T14 PolarHBondContact O-N 3.05Å; S12-L15 PolarHBondContact O-N 3.42Å; S12-D16 PolarHBondContact O-N 3.38Å
13	R	58.8	Low	53.9	Low	141 Å²	141	93.9 Å²	93.9	53%	0.532	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-37.7	178.3	-152.3	-176.7	78.1	-144.7	-8.1	112.8	E9 D16 E17	E9-R13 WeakPolarHBondContact O-CB 3.22Å; E9-R13 PolarHBondContact O-N 3.35Å; R13-D16 PolarHBondContact O-N 3.01Å; R13-E17 IonicContact NE-OE1 2.71Å; R13-E17 PolarHBondContact NE-OE1 3.1Å; R13-E17 WeakPolarHBondContact O-CB 3.34Å; R13-E17 VanDerWaalsContact O-CG 3.27Å; R13-E17 WeakPolarHBondContact O-CG 3.3Å; R13-E17 PolarHBondContact O-N 3.4Å
14	T	62.4	Low	53.7	Low	67 Å²	67	99 Å²	99	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-73.8	-31.3	176.9	41.6	0	0	0	0	112.9	E10 V11 S12 A18	E10-T14 WeakPolarHBondContact O-CB 3.24Å; E10-T14 PolarHBondContact O-N 3.09Å; E10-T14 PolarHBondContact O-OG1 3.1Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 3.05Å; V11-T14 PolarHBondContact O-OG1 3.41Å; V11-T14 VanDerWaalsContact O-OG1 3.05Å; S12-T14 VanDerWaalsContact C-N 3.34Å; S12-T14 PolarHBondContact O-N 3.05Å; T14-A18 WeakPolarHBondContact O-CB 3.47Å; T14-A18 PolarHBondContact O-N 2.97Å
15	L	52	Low	53.5	Low	89 Å²	89	99.9 Å²	99.9	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-66.4	-44.8	169	-83	161	0	0	0	111.2	V11 S12 E17 A18 F19	V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 WeakPolarHBondContact O-CB 3.38Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 2.92Å; S12-L15 PolarHBondContact O-N 3.42Å; L15-E17 PolarHBondContact O-N 2.92Å; L15-A18 CarbonylContact O-C 3.52Å; L15-A18 PolarHBondContact O-N 3.23Å; L15-A18 VanDerWaalsContact O-N 3.16Å; L15-F19 HydrophobicContact CD2-CE2 4.27Å; L15-F19 WeakPolarHBondContact O-CB 3.5Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.11Å
16	D	52.1	Low	53.6	Low	95 Å²	95	100.3 Å²	100.3	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-43.2	175.1	-83.8	-20.3	0	0	0	112.3	S12 R13 A18 F19 Q20	S12-D16 PolarHBondContact O-N 3.38Å; R13-D16 PolarHBondContact O-N 3.01Å; D16-A18 VanDerWaalsContact C-N 3.33Å; D16-A18 PolarHBondContact O-N 2.68Å; D16-F19 PolarHBondContact O-N 3.12Å; D16-Q20 WeakPolarHBondContact O-CB 3.49Å; D16-Q20 WeakPolarHBondContact O-CG 3.18Å; D16-Q20 PolarHBondContact O-N 3.15Å
17	E	54.2	Low	53.9	Low	92 Å²	92	99.2 Å²	99.2	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.3	-75.2	172.3	-162.6	0	0	111.2	R13 L15 Q20 L21	R13-E17 IonicContact NE-OE1 2.71Å; R13-E17 PolarHBondContact NE-OE1 3.1Å; R13-E17 WeakPolarHBondContact O-CB 3.34Å; R13-E17 VanDerWaalsContact O-CG 3.27Å; R13-E17 WeakPolarHBondContact O-CG 3.3Å; R13-E17 PolarHBondContact O-N 3.4Å; L15-E17 PolarHBondContact O-N 2.92Å; E17-Q20 PolarHBondContact O-N 3.49Å; E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 WeakPolarHBondContact O-CD1 3.17Å; E17-L21 PolarHBondContact O-N 2.84Å
18	A	49.7	Very low	55.1	Low	45 Å²	45	100.5 Å²	100.5	37%	0.372	54%	0.539	S	S	.	.	H	α-helix	trans	-69	-37.6	176.1	0	0	0	0	0	112.8	T14 L15 D16 L21 C22	T14-A18 WeakPolarHBondContact O-CB 3.47Å; T14-A18 PolarHBondContact O-N 2.97Å; L15-A18 CarbonylContact O-C 3.52Å; L15-A18 PolarHBondContact O-N 3.23Å; L15-A18 VanDerWaalsContact O-N 3.16Å; D16-A18 VanDerWaalsContact C-N 3.33Å; D16-A18 PolarHBondContact O-N 2.68Å; A18-L21 PolarHBondContact O-N 2.93Å; A18-C22 WeakPolarHBondContact O-CB 3.38Å; A18-C22 PolarHBondContact O-N 3.46Å; A18-C22 PolarHBondContact O-SG 3.38Å
19	F	53.4	Low	56.8	Low	146 Å²	146	101.3 Å²	101.3	64%	0.64	53%	0.533	S	S	*	.	H	α-helix	trans	-69.4	-36.8	173.3	-85.3	-70	0	0	0	111.6	L15 D16 L21 C22 G23	L15-F19 HydrophobicContact CD2-CE2 4.27Å; L15-F19 WeakPolarHBondContact O-CB 3.5Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.11Å; D16-F19 PolarHBondContact O-N 3.12Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-C22 PolarHBondContact O-N 3.22Å; F19-G23 PolarHBondContact O-N 3.03Å
20	Q	51.3	Low	58.6	Low	130 Å²	130	97.6 Å²	97.6	61%	0.607	53%	0.526	S	S	*	.	H	α-helix	trans	-65.1	-36.9	170.2	-76.7	-172.5	13.7	0	0	112.1	D16 E17 R24	D16-Q20 WeakPolarHBondContact O-CB 3.49Å; D16-Q20 WeakPolarHBondContact O-CG 3.18Å; D16-Q20 PolarHBondContact O-N 3.15Å; E17-Q20 PolarHBondContact O-N 3.49Å; Q20-R24 VanDerWaalsContact O-CG 3.3Å; Q20-R24 WeakPolarHBondContact O-CG 3.43Å; Q20-R24 PolarHBondContact O-N 3.1Å
21	L	49.5	Very low	60.5	Low	111 Å²	111	92.5 Å²	92.5	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-71.4	-39.3	175.2	-90.6	152.1	0	0	0	112.6	E17 A18 F19 R24	E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 WeakPolarHBondContact O-CD1 3.17Å; E17-L21 PolarHBondContact O-N 2.84Å; A18-L21 PolarHBondContact O-N 2.93Å; F19-L21 VanDerWaalsContact C-N 3.33Å; L21-R24 PolarHBondContact O-N 3.48Å
22	C	46.8	Very low	62.3	Low	74 Å²	74	89.9 Å²	89.9	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-73.8	-35.8	176	-76.8	0	0	0	0	112.8	A18 F19 R24 L25	A18-C22 WeakPolarHBondContact O-CB 3.38Å; A18-C22 PolarHBondContact O-N 3.46Å; A18-C22 PolarHBondContact O-SG 3.38Å; F19-C22 PolarHBondContact O-N 3.22Å; C22-R24 PolarHBondContact O-N 2.93Å; C22-L25 WeakPolarHBondContact O-CB 3.31Å; C22-L25 PolarHBondContact O-N 2.9Å
23	G	49.6	Very low	64.4	Low	43 Å²	43	86.8 Å²	86.8	44%	0.443	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-26.3	172.6	0	0	0	0	0	113.2	F19 L25	F19-G23 PolarHBondContact O-N 3.03Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.93Å
24	R	47.4	Very low	66.3	Low	197 Å²	197	80 Å²	80	74%	0.743	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.1	171.4	-74.7	175.3	-171.7	-165	4.9	114.3	Q20 L21 C22	Q20-R24 VanDerWaalsContact O-CG 3.3Å; Q20-R24 WeakPolarHBondContact O-CG 3.43Å; Q20-R24 PolarHBondContact O-N 3.1Å; L21-R24 PolarHBondContact O-N 3.48Å; C22-R24 PolarHBondContact O-N 2.93Å
25	L	49.4	Very low	68	Low	143 Å²	143	76.9 Å²	76.9	75%	0.749	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.4	-179.6	-73.1	163.5	0	0	0	113.3	C22 G23	C22-L25 WeakPolarHBondContact O-CB 3.31Å; C22-L25 PolarHBondContact O-N 2.9Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.93Å
26	L	55.7	Low	70.3	Confident	92 Å²	92	72.6 Å²	72.6	48%	0.482	39%	0.394	S	S	.	.	S	Bend	trans	-91.5	135.7	175.3	-66.5	173.9	0	0	0	110.2	T28 Y319	L26-T28 PolarHBondContact O-N 2.83Å; L26-Y319 HydrophobicContact CD1-CE1 4.4Å
27	P	61.3	Low	72.5	Confident	118 Å²	118	68.1 Å²	68.1	77%	0.766	37%	0.37	S	S	*	.			trans	-60.4	123.4	-179.7	-19.6	30.3	0	0	0	111.3
28	T	80.1	Confident	74.6	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.472	35%	0.35	S	S	.	.			trans	-112.2	145.6	169.5	53	0	0	0	0	109.7	L26	L26-T28 PolarHBondContact O-N 2.83Å
29	D	90.9	Very high	77	Confident	61 Å²	61	61.6 Å²	61.6	33%	0.326	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.4	169.6	-70.5	-81.8	0	0	0	109.2	F31 E349 L350 K352	D29-F31 HydrophobicContact CB-CD2 4.29Å; D29-F31 HydrophobicContact CB-CE2 3.5Å; D29-F31 VanDerWaalsContact CB-CE2 3.5Å; D29-F31 HydrophobicContact CB-CZ 3.86Å; D29-E349 WeakPolarHBondContact O-CA 3.49Å; D29-L350 PolarHBondContact N-O 3.24Å; D29-L350 PolarHBondContact O-N 3.46Å; D29-K352 VanDerWaalsContact CG-CE 3.43Å; D29-K352 IonicContact OD1-NZ 2.69Å; D29-K352 PolarHBondContact OD1-NZ 2.89Å; D29-K352 VanDerWaalsContact OD2-CD 3.3Å; D29-K352 WeakPolarHBondContact OD2-CD 3.46Å; D29-K352 WeakPolarHBondContact OD2-CE 3.35Å; D29-K352 WeakPolarHBondContact OD2-CG 3.49Å; D29-K352 IonicContact OD2-NZ 3.61Å; D29-K352 PolarHBondContact OD2-NZ 3.03Å
30	A	94.6	Very high	79.1	Confident	61 Å²	61	54.6 Å²	54.6	50%	0.504	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.2	177.1	0	0	0	0	0	110.2	T347 L348 E349	A30-T347 HydrophobicContact CB-CG2 3.95Å; A30-L348 WeakPolarHBondContact CA-O 3.32Å; A30-E349 HydrophobicContact CB-CG 4Å
31	F	96.9	Very high	81.2	Confident	11 Å²	11	48.8 Å²	48.8	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.8	178.1	-59.2	-86.8	0	0	0	111.7	D29 D62 H122 F154 Y155 T347 L348 L350	D29-F31 HydrophobicContact CB-CD2 4.29Å; D29-F31 HydrophobicContact CB-CE2 3.5Å; D29-F31 VanDerWaalsContact CB-CE2 3.5Å; D29-F31 HydrophobicContact CB-CZ 3.86Å; F31-D62 WeakPolarHBondContact CA-OD2 3.39Å; F31-H122 AromaticContact CD1-CE1 3.97Å; F31-H122 AromaticContact CE1-CE1 3.75Å; F31-F154 HydrophobicContact CB-CE1 4.06Å; F31-F154 HydrophobicContact CB-CZ 4.44Å; F31-F154 AromaticContact CD1-CE1 3.93Å; F31-F154 HydrophobicContact CD1-CE1 3.93Å; F31-F154 AromaticContact CD1-CZ 3.75Å; F31-F154 HydrophobicContact CD1-CZ 3.75Å; F31-F154 AromaticContact CD2-CE1 3.81Å; F31-F154 HydrophobicContact CD2-CE1 3.81Å; F31-F154 HydrophobicContact CD2-CZ 4.45Å; F31-F154 HydrophobicContact CE1-CE1 4.25Å; F31-F154 AromaticContact CE1-CZ 3.98Å; F31-F154 HydrophobicContact CE1-CZ 3.98Å; F31-F154 HydrophobicContact CE2-CE1 4.15Å; F31-F154 AromaticContact CG-CE1 3.66Å; F31-F154 HydrophobicContact CG-CE1 3.66Å; F31-F154 AromaticContact CG-CZ 3.97Å; F31-F154 HydrophobicContact CG-CZ 3.97Å; F31-F154 HydrophobicContact CZ-CE1 4.32Å; F31-F154 HydrophobicContact CZ-CZ 4.41Å; F31-Y155 HydrophobicContact CD1-CE2 4.37Å; F31-Y155 HydrophobicContact CE1-CD2 4.06Å; F31-Y155 AromaticContact CE1-CE2 3.41Å; F31-Y155 HydrophobicContact CE1-CE2 3.41Å; F31-Y155 VanDerWaalsContact CE1-CE2 3.41Å; F31-Y155 HydrophobicContact CE2-CD2 4.11Å; F31-Y155 HydrophobicContact CE2-CE2 4.29Å; F31-Y155 AromaticContact CZ-CD2 3.56Å; F31-Y155 HydrophobicContact CZ-CD2 3.56Å; F31-Y155 AromaticContact CZ-CE2 3.34Å; F31-Y155 HydrophobicContact CZ-CE2 3.34Å; F31-Y155 HydrophobicContact CZ-CG 4.34Å; F31-Y155 AromaticContact CZ-CZ 3.97Å; F31-T347 CarbonylContact O-C 3.57Å; F31-T347 WeakPolarHBondContact O-CA 3.42Å; F31-L348 HydrophobicContact CB-CB 4.4Å; F31-L348 PolarHBondContact N-O 2.92Å; F31-L348 PolarHBondContact O-N 3.02Å; F31-L350 HydrophobicContact CD2-CD1 4.27Å; F31-L350 HydrophobicContact CD2-CD2 4.12Å; F31-L350 HydrophobicContact CD2-CG 3.95Å; F31-L350 HydrophobicContact CE2-CD1 3.66Å; F31-L350 HydrophobicContact CE2-CD2 4.29Å; F31-L350 HydrophobicContact CE2-CG 3.86Å
32	R	97.7	Very high	83.3	Confident	29 Å²	29	46.9 Å²	46.9	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.4	-178.5	-62	-57.3	-57.3	163.7	10.8	110.9	P59 A60 I61 D62 L63 N326 T347	R32-P59 HydrophobicContact CG-CB 4.47Å; R32-P59 HydrophobicContact CG-CG 4Å; R32-A60 WeakPolarHBondContact CB-O 3.4Å; R32-A60 WeakPolarHBondContact CG-O 3.43Å; R32-I61 HydrophobicContact CB-CD1 4.09Å; R32-D62 PolarHBondContact N-OD2 3.39Å; R32-D62 WeakPolarHBondContact O-CA 3.47Å; R32-D62 WeakPolarHBondContact O-CB 3.28Å; R32-D62 PolarHBondContact O-N 2.81Å; R32-L63 PolarHBondContact O-N 3.35Å; R32-N326 VanDerWaalsContact NH1-CG 3.25Å; R32-N326 PolarHBondContact NH1-ND2 2.78Å; R32-N326 PolarHBondContact NH1-OD1 3.26Å; R32-N326 PolarHBondContact NH2-OD1 2.95Å; R32-T347 PolarHBondContact NH1-OG1 2.96Å
33	L	98.6	Very high	85.5	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.8	174.8	167.1	67	0	0	0	109.7	M35 L63 V65 F161 F204 N345 F346 L348	L33-M35 HydrophobicContact CD1-CG 4.05Å; L33-M35 HydrophobicContact CD2-CG 4.01Å; L33-M35 HydrophobicContact CD2-SD 4.02Å; L33-M35 HydrophobicContact CG-CG 3.83Å; L33-L63 WeakPolarHBondContact CA-O 3.4Å; L33-L63 HydrophobicContact CD1-CB 3.8Å; L33-V65 HydrophobicContact CD1-CB 4.2Å; L33-V65 HydrophobicContact CD1-CG2 3.6Å; L33-F161 HydrophobicContact CD1-CE1 4.33Å; L33-F161 HydrophobicContact CD2-CE1 3.87Å; L33-F161 HydrophobicContact CD2-CZ 4.42Å; L33-F204 HydrophobicContact CD2-CD2 4.29Å; L33-F204 HydrophobicContact CD2-CE1 4.01Å; L33-F204 HydrophobicContact CD2-CE2 3.71Å; L33-F204 HydrophobicContact CD2-CZ 3.57Å; L33-N345 WeakPolarHBondContact O-CA 3.41Å; L33-F346 HydrophobicContact CB-CB 4.2Å; L33-F346 HydrophobicContact CD2-CB 4.4Å; L33-F346 HydrophobicContact CD2-CD2 4.36Å; L33-F346 HydrophobicContact CG-CD2 4.48Å; L33-F346 PolarHBondContact N-O 3.33Å; L33-F346 PolarHBondContact O-N 3.48Å; L33-L348 HydrophobicContact CB-CD1 4.18Å; L33-L348 HydrophobicContact CB-CG 4.32Å; L33-L348 HydrophobicContact CD2-CD1 4.31Å; L33-L348 HydrophobicContact CD2-CD2 4.44Å
34	H	98.8	Very high	87.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.6	171.9	-175.6	93.5	0	0	0	109.7	L52 I61 L63 Y64 V65 N345	H34-L52 PolarHBondContact NE2-O 3.4Å; H34-I61 HydrophobicContact CB-CD1 4.07Å; H34-I61 HydrophobicContact CB-CG1 4.16Å; H34-I61 HydrophobicContact CB-CG2 3.78Å; H34-L63 PolarHBondContact N-O 2.93Å; H34-Y64 HydrophobicContact CB-CD1 3.6Å; H34-Y64 HydrophobicContact CB-CE1 3.63Å; H34-Y64 HydrophobicContact CB-CG 4.46Å; H34-Y64 AromaticContact CD2-CD1 3.49Å; H34-Y64 VanDerWaalsContact CD2-CD1 3.49Å; H34-Y64 WeakPolarHBondContact CD2-CD1 3.37Å; H34-Y64 AromaticContact CD2-CE1 3.58Å; H34-Y64 AromaticContact CG-CD1 3.75Å; H34-Y64 AromaticContact CG-CE1 3.6Å; H34-Y64 CarbonylContact O-C 3.51Å; H34-Y64 WeakPolarHBondContact O-CA 3.19Å; H34-V65 PolarHBondContact O-N 3Å; H34-N345 PolarHBondContact ND1-OD1 2.84Å
35	M	98.9	Very high	89.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.2	-179.3	-61.6	-167	71.2	0	0	111.3	L33 V65 F161 F204 F206 I287 I343 G344 F346	L33-M35 HydrophobicContact CD1-CG 4.05Å; L33-M35 HydrophobicContact CD2-CG 4.01Å; L33-M35 HydrophobicContact CD2-SD 4.02Å; L33-M35 HydrophobicContact CG-CG 3.83Å; M35-V65 CarbonylContact C-O 3.6Å; M35-V65 VanDerWaalsContact CA-O 3.27Å; M35-V65 WeakPolarHBondContact CA-O 3.46Å; M35-V65 HydrophobicContact CE-CB 4.39Å; M35-V65 HydrophobicContact CE-CG1 4.08Å; M35-V65 HydrophobicContact CG-CB 4.34Å; M35-F161 HydrophobicContact CE-CD1 4.1Å; M35-F204 HydrophobicContact CE-CB 3.78Å; M35-F204 HydrophobicContact CE-CD1 4.29Å; M35-F204 HydrophobicContact CE-CG 4.18Å; M35-F204 HydrophobicContact SD-CB 4.08Å; M35-F204 HydrophobicContact SD-CD1 3.44Å; M35-F204 WeakPolarHBondContact SD-CD1 3.21Å; M35-F204 HydrophobicContact SD-CE1 4.02Å; M35-F204 HydrophobicContact SD-CG 3.82Å; M35-F206 HydrophobicContact CE-CD1 3.32Å; M35-F206 HydrophobicContact CE-CD2 4.2Å; M35-F206 HydrophobicContact CE-CE1 3.32Å; M35-F206 HydrophobicContact CE-CE2 4.15Å; M35-F206 HydrophobicContact CE-CG 3.82Å; M35-F206 HydrophobicContact CE-CZ 3.74Å; M35-I287 HydrophobicContact CB-CD1 4.13Å; M35-I287 HydrophobicContact CE-CG2 4.35Å; M35-I287 HydrophobicContact SD-CG2 3.96Å; M35-I343 CarbonylContact O-C 3.5Å; M35-I343 WeakPolarHBondContact O-CA 3.41Å; M35-G344 PolarHBondContact N-O 3.44Å; M35-G344 PolarHBondContact O-N 3.3Å; M35-F346 HydrophobicContact CB-CE2 4.29Å; M35-F346 HydrophobicContact CG-CD2 4.08Å; M35-F346 HydrophobicContact CG-CE2 3.95Å; M35-F346 HydrophobicContact SD-CD2 4.09Å; M35-F346 HydrophobicContact SD-CE2 3.63Å; M35-F346 HydrophobicContact SD-CZ 4.35Å
36	V	98.9	Very high	92.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.2	174.7	-179.7	0	0	0	0	109.3	L52 V65 I66 G67 V342 I343	V36-L52 HydrophobicContact CG1-CD1 3.81Å; V36-L52 HydrophobicContact CG1-CD2 4.2Å; V36-L52 HydrophobicContact CG1-CG 4.18Å; V36-L52 HydrophobicContact CG2-CD1 4.34Å; V36-L52 HydrophobicContact CG2-CG 4.35Å; V36-V65 PolarHBondContact N-O 2.95Å; V36-I66 HydrophobicContact CB-CB 4.46Å; V36-I66 HydrophobicContact CB-CG1 4.29Å; V36-I66 HydrophobicContact CB-CG2 4.18Å; V36-I66 HydrophobicContact CG1-CG2 4.39Å; V36-I66 HydrophobicContact CG2-CG1 4.31Å; V36-G67 PolarHBondContact O-N 2.87Å; V36-V342 WeakPolarHBondContact CA-O 3.48Å; V36-I343 HydrophobicContact CG2-CG2 4.11Å
37	T	98.9	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	160.4	-177.1	0	0	0	0	110.8	G67 Q69 G207 D285 I287 V342	T37-G67 CarbonylContact C-O 3.55Å; T37-G67 VanDerWaalsContact CA-O 3.27Å; T37-G67 WeakPolarHBondContact CA-O 3.2Å; T37-Q69 PolarHBondContact OG1-NE2 3.24Å; T37-Q69 VanDerWaalsContact OG1-NE2 3.14Å; T37-G207 VanDerWaalsContact OG1-C 3.29Å; T37-G207 WeakPolarHBondContact OG1-CA 3.35Å; T37-G207 PolarHBondContact OG1-N 3.08Å; T37-G207 PolarHBondContact OG1-O 2.84Å; T37-D285 HydrophobicContact CG2-CB 4.1Å; T37-I287 HydrophobicContact CG2-CD1 4.48Å; T37-I287 HydrophobicContact CG2-CG1 4.03Å; T37-V342 HydrophobicContact CG2-CB 3.66Å; T37-V342 HydrophobicContact CG2-CG1 4.22Å; T37-V342 PolarHBondContact N-O 2.91Å; T37-V342 PolarHBondContact O-N 3.46Å
38	W	98.8	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	115.9	176.8	-167.1	14.5	0	0	0	113.4	V40 P46 L52 G67 L68 Q69 W88 Y334 V336 H339 P341	W38-V40 HydrophobicContact CB-CG1 4.41Å; W38-V40 HydrophobicContact CD2-CG1 3.86Å; W38-V40 HydrophobicContact CE3-CG1 4.05Å; W38-V40 HydrophobicContact CG-CG1 4.03Å; W38-V40 PolarHBondContact O-N 2.86Å; W38-P46 HydrophobicContact CH2-CG 4.37Å; W38-L52 HydrophobicContact CE3-CD2 4.05Å; W38-L52 HydrophobicContact CZ3-CD2 4.12Å; W38-G67 PolarHBondContact N-O 3.37Å; W38-L68 HydrophobicContact CB-CD2 3.95Å; W38-L68 VanDerWaalsContact O-CA 3.28Å; W38-L68 WeakPolarHBondContact O-CA 3.34Å; W38-Q69 PolarHBondContact O-N 2.93Å; W38-Q69 VanDerWaalsContact O-N 3.08Å; W38-Q69 PolarHBondContact O-OE1 3.41Å; W38-W88 AromaticContact CE3-CH2 3.75Å; W38-W88 HydrophobicContact CE3-CH2 3.75Å; W38-W88 AromaticContact CE3-CZ3 3.83Å; W38-W88 HydrophobicContact CE3-CZ3 3.83Å; W38-W88 AromaticContact CH2-CH2 3.82Å; W38-W88 HydrophobicContact CH2-CH2 3.82Å; W38-W88 HydrophobicContact CH2-CZ3 4.4Å; W38-W88 AromaticContact CZ3-CH2 3.31Å; W38-W88 HydrophobicContact CZ3-CH2 3.31Å; W38-W88 AromaticContact CZ3-CZ3 3.51Å; W38-W88 HydrophobicContact CZ3-CZ3 3.51Å; W38-Y334 HydrophobicContact CH2-CD1 4Å; W38-Y334 HydrophobicContact CH2-CG 4.09Å; W38-V336 HydrophobicContact CH2-CG2 3.37Å; W38-V336 HydrophobicContact CZ2-CG2 3.35Å; W38-H339 PolarHBondContact NE1-O 2.92Å; W38-P341 HydrophobicContact CB-CB 3.96Å; W38-P341 HydrophobicContact CD2-CB 3.85Å; W38-P341 HydrophobicContact CD2-CG 4.26Å; W38-P341 HydrophobicContact CE3-CB 4.27Å; W38-P341 HydrophobicContact CG-CB 3.7Å
39	N	98.6	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	110	164.4	-175.3	-29.5	0	0	0	108.5	A41 Q69 E70 D208 S337 H339	N39-A41 VanDerWaalsContact C-N 3.32Å; N39-A41 PolarHBondContact OD1-N 2.79Å; N39-Q69 CarbonylContact C-O 3.55Å; N39-Q69 WeakPolarHBondContact CA-O 3.24Å; N39-Q69 VanDerWaalsContact CA-OE1 3.28Å; N39-Q69 HydrophobicContact CB-CB 4.14Å; N39-E70 WeakPolarHBondContact OD1-CB 3.47Å; N39-E70 WeakPolarHBondContact OD1-CG 3.15Å; N39-D208 HydrophobicContact CB-CB 4.3Å; N39-D208 PolarHBondContact ND2-OD2 3.09Å; N39-S337 WeakPolarHBondContact O-CB 3.5Å; N39-S337 PolarHBondContact O-OG 2.86Å; N39-H339 HydrophobicContact CB-CB 4.05Å; N39-H339 WeakPolarHBondContact O-CB 3.23Å
40	V	97.8	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.			trans	-87.8	-2.9	-174	-60.3	0	0	0	0	112.8	W38 T42 A43 L68 Q69 V71 W88	W38-V40 HydrophobicContact CB-CG1 4.41Å; W38-V40 HydrophobicContact CD2-CG1 3.86Å; W38-V40 HydrophobicContact CE3-CG1 4.05Å; W38-V40 HydrophobicContact CG-CG1 4.03Å; W38-V40 PolarHBondContact O-N 2.86Å; V40-T42 PolarHBondContact O-N 2.83Å; V40-T42 VanDerWaalsContact O-N 3.14Å; V40-A43 WeakPolarHBondContact O-CB 3.39Å; V40-A43 PolarHBondContact O-N 2.92Å; V40-L68 HydrophobicContact CG1-CD1 4.4Å; V40-L68 HydrophobicContact CG1-CD2 4.15Å; V40-Q69 WeakPolarHBondContact CG2-O 3.48Å; V40-Q69 PolarHBondContact N-O 2.63Å; V40-V71 HydrophobicContact CG2-CB 4.45Å; V40-V71 HydrophobicContact CG2-CG2 3.99Å; V40-W88 HydrophobicContact CB-CH2 4.31Å; V40-W88 HydrophobicContact CB-CZ2 3.64Å; V40-W88 HydrophobicContact CG1-CD2 4.47Å; V40-W88 HydrophobicContact CG1-CH2 3.61Å; V40-W88 HydrophobicContact CG1-CZ2 3.36Å; V40-W88 HydrophobicContact CG1-CZ3 4.28Å; V40-W88 HydrophobicContact CG2-CZ2 4.22Å
41	A	95.5	Very high	96.4	Very high	8 Å²	8	30.3 Å²	30.3	7%	0.066	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	42.7	176.5	0	0	0	0	0	113.3	N39 A43 E70 R267 S337 D338	N39-A41 VanDerWaalsContact C-N 3.32Å; N39-A41 PolarHBondContact OD1-N 2.79Å; A41-A43 PolarHBondContact O-N 3.33Å; A41-E70 WeakPolarHBondContact CA-OE2 3.37Å; A41-R267 PolarHBondContact O-NH2 3.02Å; A41-S337 WeakPolarHBondContact CB-OG 3.25Å; A41-D338 WeakPolarHBondContact CB-OD1 3.43Å
42	T	93.6	Very high	96.4	Very high	70 Å²	70	29.8 Å²	29.8	43%	0.429	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	13.1	-175.9	68.5	0	0	0	0	115.5	V40 E70	V40-T42 PolarHBondContact O-N 2.83Å; V40-T42 VanDerWaalsContact O-N 3.14Å; T42-E70 WeakPolarHBondContact CA-O 3.23Å; T42-E70 HydrophobicContact CG2-CB 4.45Å; T42-E70 WeakPolarHBondContact CG2-O 3.22Å; T42-E70 PolarHBondContact N-O 2.93Å
43	A	94.2	Very high	96.4	Very high	13 Å²	13	28.4 Å²	28.4	11%	0.107	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.6	149.9	174.4	0	0	0	0	0	111.4	V40 A41 W88 V336	V40-A43 WeakPolarHBondContact O-CB 3.39Å; V40-A43 PolarHBondContact O-N 2.92Å; A41-A43 PolarHBondContact O-N 3.33Å; A43-W88 PolarHBondContact O-NE1 2.85Å; A43-W88 VanDerWaalsContact O-NE1 3.14Å; A43-V336 HydrophobicContact CB-CB 4.1Å; A43-V336 HydrophobicContact CB-CG2 4.25Å
44	E	93.3	Very high	96.2	Very high	81 Å²	81	30.1 Å²	30.1	38%	0.379	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-67.2	153.2	160.2	-59.8	-52	138.2	0	0	110.4	R77	E44-R77 VanDerWaalsContact CD-NH1 3.35Å; E44-R77 IonicContact OE1-CZ 3.88Å; E44-R77 IonicContact OE1-NH1 3.43Å; E44-R77 PolarHBondContact OE1-NH1 2.99Å; E44-R77 IonicContact OE1-NH2 3.76Å; E44-R77 PolarHBondContact OE1-NH2 3.24Å; E44-R77 IonicContact OE2-CZ 3.96Å; E44-R77 IonicContact OE2-NH1 3.99Å; E44-R77 PolarHBondContact OE2-NH1 2.93Å; E44-R77 IonicContact OE2-NH2 3.06Å
45	P	94.9	Very high	95.7	Very high	31 Å²	31	31.9 Å²	31.9	20%	0.201	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-56.8	147.2	172.3	21.7	-31.4	0	0	0	112.7	W88 L91	P45-W88 VanDerWaalsContact CA-CZ2 3.44Å; P45-W88 HydrophobicContact CB-CD2 3.75Å; P45-W88 HydrophobicContact CB-CE3 3.75Å; P45-W88 HydrophobicContact CB-CG 4.34Å; P45-W88 HydrophobicContact CB-CH2 4.14Å; P45-W88 HydrophobicContact CB-CZ2 4.12Å; P45-W88 HydrophobicContact CB-CZ3 3.95Å; P45-W88 HydrophobicContact CG-CD2 4.33Å; P45-W88 HydrophobicContact CG-CG 4.47Å; P45-L91 HydrophobicContact CB-CB 4.37Å; P45-L91 HydrophobicContact CB-CD2 3.52Å; P45-L91 HydrophobicContact CG-CD2 4.5Å
46	P	95.4	Very high	95	Very high	23 Å²	23	38.2 Å²	38.2	15%	0.149	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68.8	166.6	168.7	32.9	-35.4	0	0	0	110.7	W38 D48 V49 L91 Y334 V336	W38-P46 HydrophobicContact CH2-CG 4.37Å; P46-D48 VanDerWaalsContact C-N 3.28Å; P46-D48 PolarHBondContact O-N 2.92Å; P46-V49 HydrophobicContact CG-CG1 3.91Å; P46-L91 WeakPolarHBondContact O-CD2 3.37Å; P46-Y334 HydrophobicContact CB-CD1 4.43Å; P46-Y334 HydrophobicContact CB-CE1 4.33Å; P46-Y334 HydrophobicContact CG-CD1 4.04Å; P46-Y334 HydrophobicContact CG-CE1 3.86Å; P46-V336 HydrophobicContact CB-CG1 4.25Å
47	E	92.8	Very high	94.2	Very high	199 Å²	199	42.2 Å²	42.2	93%	0.93	23%	0.232	S	C	*	.	S	Bend	trans	-66.5	-29.5	177.7	-66.9	177.1	-178.3	0	0	113.2
48	D	93.7	Very high	93.3	Very high	90 Å²	90	49.9 Å²	49.9	48%	0.481	27%	0.268	S	S	.	.			trans	-134.3	130.7	-176.3	176.2	39	0	0	0	112.4	P46 A50 Y334	P46-D48 VanDerWaalsContact C-N 3.28Å; P46-D48 PolarHBondContact O-N 2.92Å; D48-A50 WeakPolarHBondContact OD1-CB 3.46Å; D48-A50 PolarHBondContact OD1-N 3.37Å; D48-Y334 WeakPolarHBondContact O-CE1 3.45Å; D48-Y334 PolarHBondContact O-OH 2.84Å
49	V	96.8	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.			trans	-116.8	11.4	175.3	-71	0	0	0	0	112.6	P46 S51 L52 L53 L91 F92 T95 Y334	P46-V49 HydrophobicContact CG-CG1 3.91Å; V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.97Å; V49-L52 HydrophobicContact CB-CB 4.32Å; V49-L52 HydrophobicContact CB-CD2 4.46Å; V49-L52 HydrophobicContact CG1-CD2 4.24Å; V49-L52 WeakPolarHBondContact O-CB 3.45Å; V49-L52 PolarHBondContact O-N 2.98Å; V49-L52 VanDerWaalsContact O-N 3.07Å; V49-L53 HydrophobicContact CB-CD1 4.36Å; V49-L53 HydrophobicContact CB-CG 4.46Å; V49-L53 HydrophobicContact CG2-CD1 3.78Å; V49-L53 HydrophobicContact CG2-CG 4.4Å; V49-L53 WeakPolarHBondContact O-CG 3.09Å; V49-L53 PolarHBondContact O-N 3.04Å; V49-L91 HydrophobicContact CG1-CD2 3.66Å; V49-L91 HydrophobicContact CG1-CG 4.48Å; V49-L91 HydrophobicContact CG2-CD1 4.45Å; V49-L91 HydrophobicContact CG2-CD2 4.08Å; V49-L91 HydrophobicContact CG2-CG 4Å; V49-F92 HydrophobicContact CB-CE1 4.12Å; V49-F92 HydrophobicContact CG1-CE1 4.08Å; V49-F92 HydrophobicContact CG2-CD1 4.03Å; V49-F92 HydrophobicContact CG2-CE1 4Å; V49-T95 HydrophobicContact CG2-CG2 4.04Å; V49-Y334 VanDerWaalsContact CA-OH 3.31Å; V49-Y334 WeakPolarHBondContact CA-OH 3.33Å
50	A	95	Very high	92.2	Very high	25 Å²	25	55.7 Å²	55.7	21%	0.207	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-40.2	-176.2	0	0	0	0	0	113.4	D48 Q54 L55	D48-A50 WeakPolarHBondContact OD1-CB 3.46Å; D48-A50 PolarHBondContact OD1-N 3.37Å; A50-Q54 PolarHBondContact O-N 3.39Å; A50-L55 HydrophobicContact CB-CD1 3.8Å; A50-L55 HydrophobicContact CB-CG 4.36Å; A50-L55 PolarHBondContact O-N 3.33Å
51	S	94.4	Very high	92.1	Very high	57 Å²	57	56.4 Å²	56.4	40%	0.399	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-31	177	73.7	0	0	0	0	113	V49 Y334	V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.97Å; S51-Y334 WeakPolarHBondContact OG-CE2 3.49Å; S51-Y334 PolarHBondContact OG-OH 2.79Å
52	L	97.3	Very high	92.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-44.9	174	178.6	58.7	0	0	0	110.9	H34 V36 W38 V49 Q54 F92 V331 Y334 P341 I343	H34-L52 PolarHBondContact NE2-O 3.4Å; V36-L52 HydrophobicContact CG1-CD1 3.81Å; V36-L52 HydrophobicContact CG1-CD2 4.2Å; V36-L52 HydrophobicContact CG1-CG 4.18Å; V36-L52 HydrophobicContact CG2-CD1 4.34Å; V36-L52 HydrophobicContact CG2-CG 4.35Å; W38-L52 HydrophobicContact CE3-CD2 4.05Å; W38-L52 HydrophobicContact CZ3-CD2 4.12Å; V49-L52 HydrophobicContact CB-CB 4.32Å; V49-L52 HydrophobicContact CB-CD2 4.46Å; V49-L52 HydrophobicContact CG1-CD2 4.24Å; V49-L52 WeakPolarHBondContact O-CB 3.45Å; V49-L52 PolarHBondContact O-N 2.98Å; V49-L52 VanDerWaalsContact O-N 3.07Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-F92 HydrophobicContact CD2-CE1 4.36Å; L52-F92 HydrophobicContact CD2-CZ 4.45Å; L52-V331 HydrophobicContact CD1-CG2 4.36Å; L52-Y334 HydrophobicContact CB-CD2 4.48Å; L52-Y334 HydrophobicContact CB-CE2 3.64Å; L52-Y334 PolarHBondContact N-OH 3.06Å; L52-P341 HydrophobicContact CD1-CB 3.56Å; L52-P341 HydrophobicContact CD1-CG 3.85Å; L52-I343 HydrophobicContact CD1-CG2 3.84Å
53	L	97.1	Very high	92.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.2	-177.4	-60.7	173.2	0	0	0	113.5	V49 L55 Y64 I66 F92 T95 L96	V49-L53 HydrophobicContact CB-CD1 4.36Å; V49-L53 HydrophobicContact CB-CG 4.46Å; V49-L53 HydrophobicContact CG2-CD1 3.78Å; V49-L53 HydrophobicContact CG2-CG 4.4Å; V49-L53 WeakPolarHBondContact O-CG 3.09Å; V49-L53 PolarHBondContact O-N 3.04Å; L53-L55 HydrophobicContact CB-CD2 3.57Å; L53-L55 HydrophobicContact CB-CG 3.9Å; L53-L55 HydrophobicContact CD1-CD2 4.06Å; L53-L55 HydrophobicContact CG-CD2 4.49Å; L53-L55 PolarHBondContact O-N 2.97Å; L53-Y64 HydrophobicContact CB-CE1 4.14Å; L53-Y64 HydrophobicContact CD2-CD1 4.07Å; L53-Y64 HydrophobicContact CD2-CE1 4.23Å; L53-Y64 WeakPolarHBondContact O-CE1 3.35Å; L53-Y64 PolarHBondContact O-OH 2.82Å; L53-I66 HydrophobicContact CD2-CD1 3.79Å; L53-F92 HydrophobicContact CD1-CD1 4.12Å; L53-F92 HydrophobicContact CD2-CD1 4.2Å; L53-F92 HydrophobicContact CD2-CE1 4.18Å; L53-T95 HydrophobicContact CD1-CG2 3.77Å; L53-L96 HydrophobicContact CD1-CD1 4.49Å; L53-L96 HydrophobicContact CD1-CD2 3.93Å; L53-L96 HydrophobicContact CD1-CG 4.03Å
54	Q	94.5	Very high	92.7	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.164	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.9	-179	-65.7	-173.5	-33	0	0	113.5	A50 L52 N56 D57 I343 N345	A50-Q54 PolarHBondContact O-N 3.39Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-N56 PolarHBondContact O-N 3.49Å; Q54-D57 HydrophobicContact CB-CB 4.07Å; Q54-D57 WeakPolarHBondContact CB-OD2 3.1Å; Q54-D57 VanDerWaalsContact CD-OD2 3.3Å; Q54-D57 WeakPolarHBondContact O-CB 3.3Å; Q54-D57 PolarHBondContact O-N 3.45Å; Q54-I343 HydrophobicContact CG-CD1 4.23Å; Q54-I343 VanDerWaalsContact NE2-CD1 3.29Å; Q54-N345 PolarHBondContact OE1-ND2 2.88Å; Q54-N345 PolarHBondContact OE1-OD1 2.75Å
55	L	89.4	Confident	93	Very high	37 Å²	37	49.4 Å²	49.4	19%	0.194	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.9	-169.3	-60.9	179.5	0	0	0	115.5	A50 L53 T95 L96	A50-L55 HydrophobicContact CB-CD1 3.8Å; A50-L55 HydrophobicContact CB-CG 4.36Å; A50-L55 PolarHBondContact O-N 3.33Å; L53-L55 HydrophobicContact CB-CD2 3.57Å; L53-L55 HydrophobicContact CB-CG 3.9Å; L53-L55 HydrophobicContact CD1-CD2 4.06Å; L53-L55 HydrophobicContact CG-CD2 4.49Å; L53-L55 PolarHBondContact O-N 2.97Å; L55-T95 HydrophobicContact CD1-CG2 3.5Å; L55-T95 VanDerWaalsContact CD1-CG2 3.5Å; L55-L96 HydrophobicContact CD2-CD2 3.85Å
56	N	83.9	Confident	93.2	Very high	134 Å²	134	47.9 Å²	47.9	72%	0.717	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-2.7	-178.6	-61.1	-42.9	0	0	0	112.9	Q54	Q54-N56 PolarHBondContact O-N 3.49Å
57	D	83.1	Confident	93.3	Very high	84 Å²	84	46.8 Å²	46.8	45%	0.449	26%	0.255	S	S	.	.			trans	-79.9	149.4	-175.8	-68.6	5.2	0	0	0	110.4	Q54	Q54-D57 HydrophobicContact CB-CB 4.07Å; Q54-D57 WeakPolarHBondContact CB-OD2 3.1Å; Q54-D57 VanDerWaalsContact CD-OD2 3.3Å; Q54-D57 WeakPolarHBondContact O-CB 3.3Å; Q54-D57 PolarHBondContact O-N 3.45Å
58	Q	78.9	Confident	93.6	Very high	161 Å²	161	37.3 Å²	37.3	75%	0.752	21%	0.211	S	C	*	.	S	Bend	trans	-113	146.8	173.3	-69.3	-63.2	-37.3	0	0	109.3
59	P	83.9	Confident	93.8	Very high	75 Å²	75	33 Å²	33	49%	0.487	19%	0.188	S	C	.	.	S	Bend	cis	-76.6	160.9	2.2	32.2	-36.5	0	0	0	113.5	R32 I61	R32-P59 HydrophobicContact CG-CB 4.47Å; R32-P59 HydrophobicContact CG-CG 4Å; P59-I61 PolarHBondContact O-N 2.86Å
60	A	89.8	Confident	93.7	Very high	46 Å²	46	36 Å²	36	38%	0.38	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-57.3	129.3	-178.9	0	0	0	0	0	112.6	R32	R32-A60 WeakPolarHBondContact CB-O 3.4Å; R32-A60 WeakPolarHBondContact CG-O 3.43Å
61	I	96.9	Very high	93.7	Very high	16 Å²	16	35 Å²	35	8%	0.082	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.3	145.1	176.4	-57.5	-53.2	0	0	0	110.8	R32 H34 P59 L63 Y64 F101 K119	R32-I61 HydrophobicContact CB-CD1 4.09Å; H34-I61 HydrophobicContact CB-CD1 4.07Å; H34-I61 HydrophobicContact CB-CG1 4.16Å; H34-I61 HydrophobicContact CB-CG2 3.78Å; P59-I61 PolarHBondContact O-N 2.86Å; I61-L63 WeakPolarHBondContact CG2-O 3.48Å; I61-Y64 HydrophobicContact CB-CE1 4.46Å; I61-Y64 HydrophobicContact CB-CE2 3.94Å; I61-Y64 HydrophobicContact CG1-CE1 4.34Å; I61-Y64 HydrophobicContact CG2-CD1 4.31Å; I61-Y64 HydrophobicContact CG2-CD2 3.92Å; I61-Y64 HydrophobicContact CG2-CE1 4.03Å; I61-Y64 HydrophobicContact CG2-CE2 3.64Å; I61-Y64 HydrophobicContact CG2-CG 4.24Å; I61-F101 HydrophobicContact CB-CZ 4.27Å; I61-F101 HydrophobicContact CG2-CE1 4.49Å; I61-F101 HydrophobicContact CG2-CZ 4.41Å; I61-F101 WeakPolarHBondContact O-CZ 3.41Å; I61-K119 WeakPolarHBondContact O-CE 3.16Å; I61-K119 PolarHBondContact O-NZ 2.67Å
62	D	98	Very high	93.3	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.183	C	C	.	.	S	Bend	trans	-107.3	-36.6	177	-62.5	-46.6	0	0	0	111.7	F31 R32 A118 K119 H122	F31-D62 WeakPolarHBondContact CA-OD2 3.39Å; R32-D62 PolarHBondContact N-OD2 3.39Å; R32-D62 WeakPolarHBondContact O-CA 3.47Å; R32-D62 WeakPolarHBondContact O-CB 3.28Å; R32-D62 PolarHBondContact O-N 2.81Å; D62-A118 WeakPolarHBondContact O-CA 3.26Å; D62-K119 PolarHBondContact O-N 3.36Å; D62-K119 IonicContact OD1-NZ 2.95Å; D62-K119 PolarHBondContact OD1-NZ 3.22Å; D62-H122 WeakPolarHBondContact CB-NE2 3.22Å; D62-H122 IonicContact OD1-NE2 3.2Å; D62-H122 PolarHBondContact OD1-NE2 2.89Å
63	L	98.7	Very high	92.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.9	-179.8	-58.1	176	0	0	0	110.8	R32 L33 H34 I61 F117 A118 I126 F154	R32-L63 PolarHBondContact O-N 3.35Å; L33-L63 WeakPolarHBondContact CA-O 3.4Å; L33-L63 HydrophobicContact CD1-CB 3.8Å; H34-L63 PolarHBondContact N-O 2.93Å; I61-L63 WeakPolarHBondContact CG2-O 3.48Å; L63-F117 CarbonylContact C-O 3.39Å; L63-F117 WeakPolarHBondContact CA-O 3.36Å; L63-A118 HydrophobicContact CD2-CB 3.48Å; L63-A118 VanDerWaalsContact CD2-CB 3.48Å; L63-I126 HydrophobicContact CD2-CD1 4.21Å; L63-F154 HydrophobicContact CD1-CD1 4.46Å; L63-F154 HydrophobicContact CD1-CD2 4.47Å; L63-F154 HydrophobicContact CD1-CE1 4.18Å; L63-F154 HydrophobicContact CD1-CE2 4.18Å; L63-F154 HydrophobicContact CD1-CZ 4.03Å; L63-F154 HydrophobicContact CD2-CE2 4.18Å; L63-F154 HydrophobicContact CG-CZ 4.41Å
64	Y	98.9	Very high	90.7	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.1	163.8	-70.8	-87.1	0	0	0	110	H34 L53 I61 L96 F101 V116 F117	H34-Y64 HydrophobicContact CB-CD1 3.6Å; H34-Y64 HydrophobicContact CB-CE1 3.63Å; H34-Y64 HydrophobicContact CB-CG 4.46Å; H34-Y64 AromaticContact CD2-CD1 3.49Å; H34-Y64 VanDerWaalsContact CD2-CD1 3.49Å; H34-Y64 WeakPolarHBondContact CD2-CD1 3.37Å; H34-Y64 AromaticContact CD2-CE1 3.58Å; H34-Y64 AromaticContact CG-CD1 3.75Å; H34-Y64 AromaticContact CG-CE1 3.6Å; H34-Y64 CarbonylContact O-C 3.51Å; H34-Y64 WeakPolarHBondContact O-CA 3.19Å; L53-Y64 HydrophobicContact CB-CE1 4.14Å; L53-Y64 HydrophobicContact CD2-CD1 4.07Å; L53-Y64 HydrophobicContact CD2-CE1 4.23Å; L53-Y64 WeakPolarHBondContact O-CE1 3.35Å; L53-Y64 PolarHBondContact O-OH 2.82Å; I61-Y64 HydrophobicContact CB-CE1 4.46Å; I61-Y64 HydrophobicContact CB-CE2 3.94Å; I61-Y64 HydrophobicContact CG1-CE1 4.34Å; I61-Y64 HydrophobicContact CG2-CD1 4.31Å; I61-Y64 HydrophobicContact CG2-CD2 3.92Å; I61-Y64 HydrophobicContact CG2-CE1 4.03Å; I61-Y64 HydrophobicContact CG2-CE2 3.64Å; I61-Y64 HydrophobicContact CG2-CG 4.24Å; Y64-L96 HydrophobicContact CD2-CD1 4.08Å; Y64-L96 HydrophobicContact CD2-CD2 3.72Å; Y64-L96 HydrophobicContact CE2-CD2 3.49Å; Y64-L96 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L96 HydrophobicContact CG-CD1 4.21Å; Y64-L96 HydrophobicContact CG-CD2 4.33Å; Y64-F101 AromaticContact CD2-CD1 3.69Å; Y64-F101 HydrophobicContact CD2-CD1 3.69Å; Y64-F101 AromaticContact CD2-CE1 3.43Å; Y64-F101 HydrophobicContact CD2-CE1 3.43Å; Y64-F101 VanDerWaalsContact CD2-CE1 3.43Å; Y64-F101 HydrophobicContact CD2-CE2 4.4Å; Y64-F101 HydrophobicContact CD2-CG 4.28Å; Y64-F101 AromaticContact CD2-CZ 3.83Å; Y64-F101 HydrophobicContact CD2-CZ 3.83Å; Y64-F101 HydrophobicContact CE2-CD1 4.03Å; Y64-F101 HydrophobicContact CE2-CD2 4.24Å; Y64-F101 AromaticContact CE2-CE1 3.51Å; Y64-F101 HydrophobicContact CE2-CE1 3.51Å; Y64-F101 AromaticContact CE2-CE2 3.75Å; Y64-F101 HydrophobicContact CE2-CE2 3.75Å; Y64-F101 HydrophobicContact CE2-CG 4.36Å; Y64-F101 AromaticContact CE2-CZ 3.35Å; Y64-F101 HydrophobicContact CE2-CZ 3.35Å; Y64-V116 WeakPolarHBondContact O-CA 3.25Å; Y64-F117 PolarHBondContact N-O 2.96Å; Y64-F117 PolarHBondContact O-N 3.29Å
65	V	98.9	Very high	88.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.2	173.8	177.9	0	0	0	0	108.7	L33 H34 M35 V36 L114 L115 V116 F161 F206	L33-V65 HydrophobicContact CD1-CB 4.2Å; L33-V65 HydrophobicContact CD1-CG2 3.6Å; H34-V65 PolarHBondContact O-N 3Å; M35-V65 CarbonylContact C-O 3.6Å; M35-V65 VanDerWaalsContact CA-O 3.27Å; M35-V65 WeakPolarHBondContact CA-O 3.46Å; M35-V65 HydrophobicContact CE-CB 4.39Å; M35-V65 HydrophobicContact CE-CG1 4.08Å; M35-V65 HydrophobicContact CG-CB 4.34Å; V36-V65 PolarHBondContact N-O 2.95Å; V65-L114 HydrophobicContact CG1-CD1 3.73Å; V65-L115 WeakPolarHBondContact CA-O 3.48Å; V65-V116 HydrophobicContact CG2-CG1 4.34Å; V65-V116 HydrophobicContact CG2-CG2 4.28Å; V65-F161 HydrophobicContact CB-CD1 4.3Å; V65-F161 HydrophobicContact CG1-CB 4.2Å; V65-F161 HydrophobicContact CG1-CD1 3.82Å; V65-F161 HydrophobicContact CG1-CG 4.13Å; V65-F161 HydrophobicContact CG2-CD1 3.91Å; V65-F161 HydrophobicContact CG2-CE1 3.82Å; V65-F161 HydrophobicContact CG2-CG 4.37Å; V65-F161 HydrophobicContact CG2-CZ 4.22Å; V65-F206 HydrophobicContact CG1-CE1 4.12Å; V65-F206 HydrophobicContact CG1-CE2 4.37Å; V65-F206 HydrophobicContact CG1-CZ 3.54Å
66	I	98.9	Very high	87.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.7	-170.4	-55.3	175	0	0	0	109.1	V36 L53 L68 F92 L114 L115 F117	V36-I66 HydrophobicContact CB-CB 4.46Å; V36-I66 HydrophobicContact CB-CG1 4.29Å; V36-I66 HydrophobicContact CB-CG2 4.18Å; V36-I66 HydrophobicContact CG1-CG2 4.39Å; V36-I66 HydrophobicContact CG2-CG1 4.31Å; L53-I66 HydrophobicContact CD2-CD1 3.79Å; I66-L68 HydrophobicContact CG2-CD2 4Å; I66-L68 HydrophobicContact CG2-CG 4.34Å; I66-F92 HydrophobicContact CD1-CB 4.32Å; I66-F92 HydrophobicContact CD1-CD1 3.62Å; I66-F92 HydrophobicContact CD1-CD2 4.08Å; I66-F92 HydrophobicContact CD1-CE1 3.86Å; I66-F92 HydrophobicContact CD1-CE2 4.3Å; I66-F92 HydrophobicContact CD1-CG 3.75Å; I66-F92 HydrophobicContact CD1-CZ 4.2Å; I66-F92 HydrophobicContact CG2-CD2 4.35Å; I66-F92 HydrophobicContact CG2-CE2 3.76Å; I66-F92 HydrophobicContact CG2-CZ 3.88Å; I66-L114 WeakPolarHBondContact O-CA 3.43Å; I66-L115 HydrophobicContact CB-CB 4.33Å; I66-L115 PolarHBondContact N-O 3.29Å; I66-L115 PolarHBondContact O-N 3.13Å; I66-F117 HydrophobicContact CD1-CD2 4.4Å; I66-F117 HydrophobicContact CD1-CE2 4.12Å
67	G	98.8	Very high	86.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	176.8	0	0	0	0	0	111.2	V36 T37 W38 Q69 L113 N163	V36-G67 PolarHBondContact O-N 2.87Å; T37-G67 CarbonylContact C-O 3.55Å; T37-G67 VanDerWaalsContact CA-O 3.27Å; T37-G67 WeakPolarHBondContact CA-O 3.2Å; W38-G67 PolarHBondContact N-O 3.37Å; G67-Q69 PolarHBondContact O-NE2 3.36Å; G67-L113 CarbonylContact C-O 3.5Å; G67-L113 WeakPolarHBondContact CA-O 3.36Å; G67-N163 WeakPolarHBondContact CA-ND2 3.25Å
68	L	98.7	Very high	84.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.6	175.3	-51.3	-176.9	0	0	0	111.1	W38 V40 I66 V71 W88 F92 L112 L113 N163	W38-L68 HydrophobicContact CB-CD2 3.95Å; W38-L68 VanDerWaalsContact O-CA 3.28Å; W38-L68 WeakPolarHBondContact O-CA 3.34Å; V40-L68 HydrophobicContact CG1-CD1 4.4Å; V40-L68 HydrophobicContact CG1-CD2 4.15Å; I66-L68 HydrophobicContact CG2-CD2 4Å; I66-L68 HydrophobicContact CG2-CG 4.34Å; L68-V71 HydrophobicContact CB-CG2 3.51Å; L68-V71 HydrophobicContact CD1-CG2 3.89Å; L68-V71 HydrophobicContact CG-CG2 4.38Å; L68-W88 HydrophobicContact CD1-CB 3.69Å; L68-W88 HydrophobicContact CD1-CD2 3.67Å; L68-W88 HydrophobicContact CD1-CE3 3.87Å; L68-W88 HydrophobicContact CD1-CG 3.61Å; L68-F92 HydrophobicContact CD1-CE2 4.2Å; L68-L112 WeakPolarHBondContact O-CA 3.48Å; L68-L113 HydrophobicContact CB-CB 4.37Å; L68-L113 HydrophobicContact CD1-CD2 4.25Å; L68-L113 PolarHBondContact N-O 2.69Å; L68-L113 PolarHBondContact O-N 3.14Å; L68-N163 PolarHBondContact N-ND2 2.96Å; L68-N163 PolarHBondContact O-ND2 3.25Å
69	Q	98.1	Very high	83.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	154.3	171.1	-47.8	78.9	41	0	0	110.2	T37 W38 N39 V40 G67 V71 G111 L112 N163 C164 H165 D208	T37-Q69 PolarHBondContact OG1-NE2 3.24Å; T37-Q69 VanDerWaalsContact OG1-NE2 3.14Å; W38-Q69 PolarHBondContact O-N 2.93Å; W38-Q69 VanDerWaalsContact O-N 3.08Å; W38-Q69 PolarHBondContact O-OE1 3.41Å; N39-Q69 CarbonylContact C-O 3.55Å; N39-Q69 WeakPolarHBondContact CA-O 3.24Å; N39-Q69 VanDerWaalsContact CA-OE1 3.28Å; N39-Q69 HydrophobicContact CB-CB 4.14Å; V40-Q69 WeakPolarHBondContact CG2-O 3.48Å; V40-Q69 PolarHBondContact N-O 2.63Å; G67-Q69 PolarHBondContact O-NE2 3.36Å; Q69-V71 PolarHBondContact O-N 3.21Å; Q69-G111 CarbonylContact C-O 3.57Å; Q69-G111 VanDerWaalsContact C-O 3.29Å; Q69-G111 WeakPolarHBondContact CA-O 3.43Å; Q69-L112 HydrophobicContact CB-CD2 4.38Å; Q69-L112 HydrophobicContact CG-CD2 3.76Å; Q69-N163 PolarHBondContact NE2-OD1 3.25Å; Q69-C164 WeakPolarHBondContact CG-O 3.49Å; Q69-H165 HydrophobicContact CB-CB 4.23Å; Q69-H165 HydrophobicContact CG-CB 3.98Å; Q69-D208 HydrophobicContact CB-CB 4.44Å; Q69-D208 HydrophobicContact CG-CB 3.98Å
70	E	95.3	Very high	82.4	Confident	62 Å²	62	41 Å²	41	29%	0.29	23%	0.23	S	C	.	.	S	Bend	trans	54.2	32.5	-174.6	-55	-165.2	-174.5	0	0	114.2	N39 A41 T42 N72 G111 H165	N39-E70 WeakPolarHBondContact OD1-CB 3.47Å; N39-E70 WeakPolarHBondContact OD1-CG 3.15Å; A41-E70 WeakPolarHBondContact CA-OE2 3.37Å; T42-E70 WeakPolarHBondContact CA-O 3.23Å; T42-E70 HydrophobicContact CG2-CB 4.45Å; T42-E70 WeakPolarHBondContact CG2-O 3.22Å; T42-E70 PolarHBondContact N-O 2.93Å; E70-N72 PolarHBondContact O-N 2.92Å; E70-G111 PolarHBondContact N-O 2.69Å; E70-H165 IonicContact OE1-CE1 3.15Å; E70-H165 PolarHBondContact OE1-CE1 3.47Å; E70-H165 IonicContact OE1-NE2 3.63Å
71	V	93.5	Very high	80.7	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	22%	0.222	C	C	.	.			trans	-57.4	139.4	166.7	-179.6	0	0	0	0	109	V40 L68 Q69 V73 G111 L113	V40-V71 HydrophobicContact CG2-CB 4.45Å; V40-V71 HydrophobicContact CG2-CG2 3.99Å; L68-V71 HydrophobicContact CB-CG2 3.51Å; L68-V71 HydrophobicContact CD1-CG2 3.89Å; L68-V71 HydrophobicContact CG-CG2 4.38Å; Q69-V71 PolarHBondContact O-N 3.21Å; V71-V73 WeakPolarHBondContact O-CG2 3.44Å; V71-V73 PolarHBondContact O-N 3.07Å; V71-G111 PolarHBondContact N-O 2.86Å; V71-G111 WeakPolarHBondContact O-CA 3.42Å; V71-L113 HydrophobicContact CG2-CB 4.02Å; V71-L113 HydrophobicContact CG2-CD2 4.47Å
72	N	87.8	Confident	78.8	Confident	34 Å²	34	45.9 Å²	45.9	18%	0.182	25%	0.249	C	C	.	.			trans	-62.9	129.7	-175.3	-169.5	-7.8	0	0	0	111.6	E70 T74 R77 R108	E70-N72 PolarHBondContact O-N 2.92Å; N72-T74 PolarHBondContact OD1-N 3.16Å; N72-R77 PolarHBondContact ND2-NH1 2.93Å; N72-R108 PolarHBondContact O-NH2 3.47Å
73	V	72.4	Confident	76.6	Confident	49 Å²	49	53 Å²	53	30%	0.297	28%	0.284	S	S	.	.			trans	-128.5	40.5	-173.8	-153	0	0	0	0	112.2	V71 F78 Q110	V71-V73 WeakPolarHBondContact O-CG2 3.44Å; V71-V73 PolarHBondContact O-N 3.07Å; V73-F78 HydrophobicContact CG1-CB 4.21Å; V73-F78 HydrophobicContact CG1-CD2 3.86Å; V73-F78 HydrophobicContact CG1-CG 4.43Å; V73-Q110 WeakPolarHBondContact CG2-O 3.41Å
74	T	65.9	Low	74.8	Confident	59 Å²	59	55.3 Å²	55.3	36%	0.362	30%	0.303	S	S	.	.			trans	-56.3	144.8	175.3	54.6	0	0	0	0	110.5	N72 V76 R77 F78	N72-T74 PolarHBondContact OD1-N 3.16Å; T74-V76 PolarHBondContact O-N 2.89Å; T74-V76 VanDerWaalsContact O-N 3.1Å; T74-R77 CarbonylContact O-C 3.56Å; T74-R77 WeakPolarHBondContact O-CA 3.34Å; T74-R77 WeakPolarHBondContact O-CB 3.37Å; T74-R77 PolarHBondContact O-N 3.29Å; T74-R77 WeakPolarHBondContact OG1-CB 3.32Å; T74-R77 WeakPolarHBondContact OG1-CD 3.21Å; T74-R77 WeakPolarHBondContact OG1-CG 3.37Å; T74-F78 PolarHBondContact O-N 2.86Å
75	P	56.9	Low	73.9	Confident	101 Å²	101	57.8 Å²	57.8	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-54.8	-35.6	-174.8	-28.9	34.9	0	0	0	114.4	F78 I79	P75-F78 PolarHBondContact O-N 3.3Å; P75-I79 WeakPolarHBondContact O-CG1 3.49Å; P75-I79 PolarHBondContact O-N 2.91Å; P75-I79 VanDerWaalsContact O-N 3.16Å
76	V	58.8	Low	73.3	Confident	120 Å²	120	58.2 Å²	58.2	73%	0.727	32%	0.317	S	S	*	.	H	α-helix	trans	-65.2	-42.6	173.9	177.4	0	0	0	0	110.9	T74 S80	T74-V76 PolarHBondContact O-N 2.89Å; T74-V76 VanDerWaalsContact O-N 3.1Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 2.82Å
77	R	57.3	Low	72.9	Confident	83 Å²	83	60.3 Å²	60.3	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-70.4	-36.8	174.9	-72.5	-175.5	179.1	-165.7	5.7	112.4	E44 N72 T74 I79 S80 D81	E44-R77 VanDerWaalsContact CD-NH1 3.35Å; E44-R77 IonicContact OE1-CZ 3.88Å; E44-R77 IonicContact OE1-NH1 3.43Å; E44-R77 PolarHBondContact OE1-NH1 2.99Å; E44-R77 IonicContact OE1-NH2 3.76Å; E44-R77 PolarHBondContact OE1-NH2 3.24Å; E44-R77 IonicContact OE2-CZ 3.96Å; E44-R77 IonicContact OE2-NH1 3.99Å; E44-R77 PolarHBondContact OE2-NH1 2.93Å; E44-R77 IonicContact OE2-NH2 3.06Å; N72-R77 PolarHBondContact ND2-NH1 2.93Å; T74-R77 CarbonylContact O-C 3.56Å; T74-R77 WeakPolarHBondContact O-CA 3.34Å; T74-R77 WeakPolarHBondContact O-CB 3.37Å; T74-R77 PolarHBondContact O-N 3.29Å; T74-R77 WeakPolarHBondContact OG1-CB 3.32Å; T74-R77 WeakPolarHBondContact OG1-CD 3.21Å; T74-R77 WeakPolarHBondContact OG1-CG 3.37Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.24Å; R77-S80 CarbonylContact O-C 3.51Å; R77-S80 WeakPolarHBondContact O-CB 3.4Å; R77-S80 PolarHBondContact O-N 2.84Å; R77-S80 VanDerWaalsContact O-N 3.16Å; R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 3.03Å
78	F	55.4	Low	72.8	Confident	93 Å²	93	60.4 Å²	60.4	41%	0.408	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-42.7	176	-177.5	-102.7	0	0	0	112	V73 T74 P75 D81 L82	V73-F78 HydrophobicContact CG1-CB 4.21Å; V73-F78 HydrophobicContact CG1-CD2 3.86Å; V73-F78 HydrophobicContact CG1-CG 4.43Å; T74-F78 PolarHBondContact O-N 2.86Å; P75-F78 PolarHBondContact O-N 3.3Å; F78-D81 PolarHBondContact O-N 2.96Å; F78-L82 HydrophobicContact CD1-CD1 4Å; F78-L82 HydrophobicContact CE1-CD1 3.59Å; F78-L82 HydrophobicContact CE1-CG 4.35Å; F78-L82 HydrophobicContact CZ-CD1 4.03Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 VanDerWaalsContact O-CG 3.28Å; F78-L82 WeakPolarHBondContact O-CG 3.45Å; F78-L82 PolarHBondContact O-N 3.14Å
79	I	55	Low	72.6	Confident	106 Å²	106	60.4 Å²	60.4	54%	0.544	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-42.2	174.5	-64.5	169.5	0	0	0	110.6	P75 R77 D81 L82 M83	P75-I79 WeakPolarHBondContact O-CG1 3.49Å; P75-I79 PolarHBondContact O-N 2.91Å; P75-I79 VanDerWaalsContact O-N 3.16Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.24Å; I79-D81 VanDerWaalsContact C-N 3.34Å; I79-D81 PolarHBondContact O-N 3.44Å; I79-L82 PolarHBondContact O-N 3.15Å; I79-M83 WeakPolarHBondContact O-CG 3.19Å; I79-M83 PolarHBondContact O-N 2.92Å
80	S	55.7	Low	72.3	Confident	62 Å²	62	64.4 Å²	64.4	43%	0.434	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-41.3	175.1	-169	0	0	0	0	112.2	V76 R77 L82 M83 A84	V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 2.82Å; R77-S80 CarbonylContact O-C 3.51Å; R77-S80 WeakPolarHBondContact O-CB 3.4Å; R77-S80 PolarHBondContact O-N 2.84Å; R77-S80 VanDerWaalsContact O-N 3.16Å; S80-L82 VanDerWaalsContact C-N 3.28Å; S80-L82 PolarHBondContact O-N 2.74Å; S80-M83 CarbonylContact O-C 3.55Å; S80-M83 WeakPolarHBondContact O-CA 3.14Å; S80-M83 PolarHBondContact O-N 2.71Å; S80-A84 WeakPolarHBondContact O-CA 3.23Å; S80-A84 WeakPolarHBondContact O-CB 3.38Å; S80-A84 PolarHBondContact O-N 3.2Å
81	D	55.5	Low	72.4	Confident	40 Å²	40	62.8 Å²	62.8	21%	0.214	34%	0.344	C	S	.	.	H	α-helix	trans	-74.3	-20.2	-177.2	-64.8	-14.3	0	0	0	111.7	R77 F78 I79 M83 A84 R108	R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 3.03Å; F78-D81 PolarHBondContact O-N 2.96Å; I79-D81 VanDerWaalsContact C-N 3.34Å; I79-D81 PolarHBondContact O-N 3.44Å; D81-M83 VanDerWaalsContact C-N 3.28Å; D81-A84 CarbonylContact C-O 3.52Å; D81-A84 VanDerWaalsContact C-O 3.24Å; D81-A84 WeakPolarHBondContact CA-O 3.27Å; D81-R108 VanDerWaalsContact CG-NH1 3.34Å; D81-R108 IonicContact OD2-CZ 3.05Å; D81-R108 IonicContact OD2-NH1 3.84Å; D81-R108 PolarHBondContact OD2-NH1 2.95Å; D81-R108 IonicContact OD2-NH2 3.64Å; D81-R108 PolarHBondContact OD2-NH2 3Å
82	L	56.9	Low	72.6	Confident	125 Å²	125	62.6 Å²	62.6	65%	0.654	34%	0.343	S	S	*	.	H	α-helix	trans	-76.2	-18.8	167.1	-73.9	171.2	0	0	0	112.2	F78 I79 S80	F78-L82 HydrophobicContact CD1-CD1 4Å; F78-L82 HydrophobicContact CE1-CD1 3.59Å; F78-L82 HydrophobicContact CE1-CG 4.35Å; F78-L82 HydrophobicContact CZ-CD1 4.03Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 VanDerWaalsContact O-CG 3.28Å; F78-L82 WeakPolarHBondContact O-CG 3.45Å; F78-L82 PolarHBondContact O-N 3.14Å; I79-L82 PolarHBondContact O-N 3.15Å; S80-L82 VanDerWaalsContact C-N 3.28Å; S80-L82 PolarHBondContact O-N 2.74Å
83	M	51.8	Low	72.9	Confident	166 Å²	166	61.3 Å²	61.3	82%	0.818	34%	0.336	S	S	*	.	H	α-helix	trans	-110.6	-16.4	-177.9	-61.8	-172.6	76.9	0	0	113.3	I79 S80 D81	I79-M83 WeakPolarHBondContact O-CG 3.19Å; I79-M83 PolarHBondContact O-N 2.92Å; S80-M83 CarbonylContact O-C 3.55Å; S80-M83 WeakPolarHBondContact O-CA 3.14Å; S80-M83 PolarHBondContact O-N 2.71Å; D81-M83 VanDerWaalsContact C-N 3.28Å
84	A	61	Low	74	Confident	49 Å²	49	62.8 Å²	62.8	41%	0.405	34%	0.342	S	S	.	.	S	Bend	trans	-151.2	162.9	-175	0	0	0	0	0	110.1	S80 D81	S80-A84 WeakPolarHBondContact O-CA 3.23Å; S80-A84 WeakPolarHBondContact O-CB 3.38Å; S80-A84 PolarHBondContact O-N 3.2Å; D81-A84 CarbonylContact C-O 3.52Å; D81-A84 VanDerWaalsContact C-O 3.24Å; D81-A84 WeakPolarHBondContact CA-O 3.27Å
85	E	78.5	Confident	75.4	Confident	60 Å²	60	61.2 Å²	61.2	28%	0.28	33%	0.333	S	S	.	.			trans	-71.4	148	176.6	-62.4	-72.8	172.4	0	0	110.9	H90 M93 K103	E85-H90 PolarHBondContact O-CD2 2.88Å; E85-H90 PolarHBondContact O-NE2 3.13Å; E85-M93 HydrophobicContact CG-SD 4.31Å; E85-K103 IonicContact OE1-NZ 3.86Å; E85-K103 PolarHBondContact OE1-NZ 3.1Å; E85-K103 IonicContact OE2-NZ 3.68Å; E85-K103 PolarHBondContact OE2-NZ 2.87Å
86	D	86.8	Confident	77.3	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.043	30%	0.301	C	S	.	.			trans	-73.7	160.5	176.6	76.7	86.5	0	0	0	111.6	W88 S89 H90 L113	D86-W88 PolarHBondContact O-N 2.76Å; D86-W88 VanDerWaalsContact O-N 3.15Å; D86-W88 WeakPolarHBondContact OD1-CA 3.31Å; D86-W88 VanDerWaalsContact OD1-CB 3.23Å; D86-W88 WeakPolarHBondContact OD1-CB 3.43Å; D86-W88 PolarHBondContact OD1-N 2.88Å; D86-S89 WeakPolarHBondContact O-CB 3.4Å; D86-S89 PolarHBondContact O-N 2.93Å; D86-S89 VanDerWaalsContact O-N 3.1Å; D86-S89 PolarHBondContact OD1-N 2.94Å; D86-S89 VanDerWaalsContact OD1-N 3.15Å; D86-S89 WeakPolarHBondContact OD2-CB 3.42Å; D86-S89 PolarHBondContact OD2-OG 3.47Å; D86-H90 PolarHBondContact O-N 2.96Å; D86-L113 VanDerWaalsContact OD2-CD2 3.29Å; D86-L113 WeakPolarHBondContact OD2-CD2 3.35Å
87	S	91.6	Very high	79	Confident	45 Å²	45	50.9 Å²	50.9	32%	0.315	27%	0.269	S	S	.	.	H	α-helix	trans	-56	-33.4	-176.9	52.4	0	0	0	0	114.3	L91	S87-L91 PolarHBondContact O-N 3.24Å; S87-L91 VanDerWaalsContact O-N 3.14Å
88	W	95.4	Very high	80.6	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-73.4	-45.4	177.7	-74.6	92.8	0	0	0	110.7	W38 V40 A43 P45 L68 D86 H90 L91 F92 L113	W38-W88 AromaticContact CE3-CH2 3.75Å; W38-W88 HydrophobicContact CE3-CH2 3.75Å; W38-W88 AromaticContact CE3-CZ3 3.83Å; W38-W88 HydrophobicContact CE3-CZ3 3.83Å; W38-W88 AromaticContact CH2-CH2 3.82Å; W38-W88 HydrophobicContact CH2-CH2 3.82Å; W38-W88 HydrophobicContact CH2-CZ3 4.4Å; W38-W88 AromaticContact CZ3-CH2 3.31Å; W38-W88 HydrophobicContact CZ3-CH2 3.31Å; W38-W88 AromaticContact CZ3-CZ3 3.51Å; W38-W88 HydrophobicContact CZ3-CZ3 3.51Å; V40-W88 HydrophobicContact CB-CH2 4.31Å; V40-W88 HydrophobicContact CB-CZ2 3.64Å; V40-W88 HydrophobicContact CG1-CD2 4.47Å; V40-W88 HydrophobicContact CG1-CH2 3.61Å; V40-W88 HydrophobicContact CG1-CZ2 3.36Å; V40-W88 HydrophobicContact CG1-CZ3 4.28Å; V40-W88 HydrophobicContact CG2-CZ2 4.22Å; A43-W88 PolarHBondContact O-NE1 2.85Å; A43-W88 VanDerWaalsContact O-NE1 3.14Å; P45-W88 VanDerWaalsContact CA-CZ2 3.44Å; P45-W88 HydrophobicContact CB-CD2 3.75Å; P45-W88 HydrophobicContact CB-CE3 3.75Å; P45-W88 HydrophobicContact CB-CG 4.34Å; P45-W88 HydrophobicContact CB-CH2 4.14Å; P45-W88 HydrophobicContact CB-CZ2 4.12Å; P45-W88 HydrophobicContact CB-CZ3 3.95Å; P45-W88 HydrophobicContact CG-CD2 4.33Å; P45-W88 HydrophobicContact CG-CG 4.47Å; L68-W88 HydrophobicContact CD1-CB 3.69Å; L68-W88 HydrophobicContact CD1-CD2 3.67Å; L68-W88 HydrophobicContact CD1-CE3 3.87Å; L68-W88 HydrophobicContact CD1-CG 3.61Å; D86-W88 PolarHBondContact O-N 2.76Å; D86-W88 VanDerWaalsContact O-N 3.15Å; D86-W88 WeakPolarHBondContact OD1-CA 3.31Å; D86-W88 VanDerWaalsContact OD1-CB 3.23Å; D86-W88 WeakPolarHBondContact OD1-CB 3.43Å; D86-W88 PolarHBondContact OD1-N 2.88Å; W88-H90 VanDerWaalsContact C-N 3.31Å; W88-H90 PolarHBondContact O-N 3.07Å; W88-L91 PolarHBondContact O-N 3.1Å; W88-F92 HydrophobicContact CB-CE2 4.36Å; W88-F92 AromaticContact CE3-CE2 3.81Å; W88-F92 HydrophobicContact CE3-CE2 3.81Å; W88-F92 AromaticContact CE3-CZ 3.95Å; W88-F92 HydrophobicContact CE3-CZ 3.95Å; W88-F92 HydrophobicContact CZ3-CZ 4.27Å; W88-F92 WeakPolarHBondContact O-CD2 3.45Å; W88-F92 PolarHBondContact O-N 2.92Å; W88-L113 HydrophobicContact CB-CD2 4.5Å
89	S	94.9	Very high	82.4	Confident	1 Å²	1	53 Å²	53	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-55.3	-46.8	174.2	-66.2	0	0	0	0	111.5	D86 F92 M93 L115	D86-S89 WeakPolarHBondContact O-CB 3.4Å; D86-S89 PolarHBondContact O-N 2.93Å; D86-S89 VanDerWaalsContact O-N 3.1Å; D86-S89 PolarHBondContact OD1-N 2.94Å; D86-S89 VanDerWaalsContact OD1-N 3.15Å; D86-S89 WeakPolarHBondContact OD2-CB 3.42Å; D86-S89 PolarHBondContact OD2-OG 3.47Å; S89-F92 PolarHBondContact O-N 3.09Å; S89-M93 WeakPolarHBondContact O-CB 3.31Å; S89-M93 VanDerWaalsContact O-CG 3.23Å; S89-M93 WeakPolarHBondContact O-CG 3.39Å; S89-M93 PolarHBondContact O-N 2.92Å; S89-L115 WeakPolarHBondContact OG-CD2 3.2Å
90	H	92.9	Very high	84.3	Confident	83 Å²	83	49.6 Å²	49.6	38%	0.384	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-49.6	175.4	-84.7	-60.3	0	0	0	112.8	E85 D86 W88 F92 M93 D94	E85-H90 PolarHBondContact O-CD2 2.88Å; E85-H90 PolarHBondContact O-NE2 3.13Å; D86-H90 PolarHBondContact O-N 2.96Å; W88-H90 VanDerWaalsContact C-N 3.31Å; W88-H90 PolarHBondContact O-N 3.07Å; H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 PolarHBondContact O-N 3.28Å; H90-M93 PolarHBondContact O-N 3.01Å; H90-D94 WeakPolarHBondContact O-CB 3.07Å; H90-D94 VanDerWaalsContact O-CG 3.27Å; H90-D94 PolarHBondContact O-N 2.87Å
91	L	95.6	Very high	86.3	Confident	29 Å²	29	47.1 Å²	47.1	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-45.3	179.1	175.7	62.8	0	0	0	112	P45 P46 V49 S87 W88 D94 T95	P45-L91 HydrophobicContact CB-CB 4.37Å; P45-L91 HydrophobicContact CB-CD2 3.52Å; P45-L91 HydrophobicContact CG-CD2 4.5Å; P46-L91 WeakPolarHBondContact O-CD2 3.37Å; V49-L91 HydrophobicContact CG1-CD2 3.66Å; V49-L91 HydrophobicContact CG1-CG 4.48Å; V49-L91 HydrophobicContact CG2-CD1 4.45Å; V49-L91 HydrophobicContact CG2-CD2 4.08Å; V49-L91 HydrophobicContact CG2-CG 4Å; S87-L91 PolarHBondContact O-N 3.24Å; S87-L91 VanDerWaalsContact O-N 3.14Å; W88-L91 PolarHBondContact O-N 3.1Å; L91-D94 PolarHBondContact O-N 3.12Å; L91-T95 VanDerWaalsContact O-CB 3.32Å; L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 2.78Å; L91-T95 PolarHBondContact O-OG1 2.86Å
92	F	97.6	Very high	88.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-41.8	179.4	-68.4	-56.1	0	0	0	112	V49 L52 L53 I66 L68 W88 S89 H90 D94 T95 L96 L115 F117	V49-F92 HydrophobicContact CB-CE1 4.12Å; V49-F92 HydrophobicContact CG1-CE1 4.08Å; V49-F92 HydrophobicContact CG2-CD1 4.03Å; V49-F92 HydrophobicContact CG2-CE1 4Å; L52-F92 HydrophobicContact CD2-CE1 4.36Å; L52-F92 HydrophobicContact CD2-CZ 4.45Å; L53-F92 HydrophobicContact CD1-CD1 4.12Å; L53-F92 HydrophobicContact CD2-CD1 4.2Å; L53-F92 HydrophobicContact CD2-CE1 4.18Å; I66-F92 HydrophobicContact CD1-CB 4.32Å; I66-F92 HydrophobicContact CD1-CD1 3.62Å; I66-F92 HydrophobicContact CD1-CD2 4.08Å; I66-F92 HydrophobicContact CD1-CE1 3.86Å; I66-F92 HydrophobicContact CD1-CE2 4.3Å; I66-F92 HydrophobicContact CD1-CG 3.75Å; I66-F92 HydrophobicContact CD1-CZ 4.2Å; I66-F92 HydrophobicContact CG2-CD2 4.35Å; I66-F92 HydrophobicContact CG2-CE2 3.76Å; I66-F92 HydrophobicContact CG2-CZ 3.88Å; L68-F92 HydrophobicContact CD1-CE2 4.2Å; W88-F92 HydrophobicContact CB-CE2 4.36Å; W88-F92 AromaticContact CE3-CE2 3.81Å; W88-F92 HydrophobicContact CE3-CE2 3.81Å; W88-F92 AromaticContact CE3-CZ 3.95Å; W88-F92 HydrophobicContact CE3-CZ 3.95Å; W88-F92 HydrophobicContact CZ3-CZ 4.27Å; W88-F92 WeakPolarHBondContact O-CD2 3.45Å; W88-F92 PolarHBondContact O-N 2.92Å; S89-F92 PolarHBondContact O-N 3.09Å; H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 PolarHBondContact O-N 3.28Å; F92-D94 PolarHBondContact O-N 2.81Å; F92-T95 PolarHBondContact O-N 3.03Å; F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 WeakPolarHBondContact O-CG 3.3Å; F92-L96 PolarHBondContact O-N 3.41Å; F92-L115 HydrophobicContact CD2-CD1 3.66Å; F92-L115 HydrophobicContact CE2-CD1 4.31Å; F92-F117 HydrophobicContact CB-CE2 4.02Å; F92-F117 HydrophobicContact CB-CZ 3.69Å
93	M	95.5	Very high	90.3	Very high	8 Å²	8	40 Å²	40	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-43.1	174.9	-73.9	172.8	70	0	0	112.1	E85 S89 H90 T95 G97 K103 F117 K399	E85-M93 HydrophobicContact CG-SD 4.31Å; S89-M93 WeakPolarHBondContact O-CB 3.31Å; S89-M93 VanDerWaalsContact O-CG 3.23Å; S89-M93 WeakPolarHBondContact O-CG 3.39Å; S89-M93 PolarHBondContact O-N 2.92Å; H90-M93 PolarHBondContact O-N 3.01Å; M93-T95 VanDerWaalsContact C-N 3.34Å; M93-G97 WeakPolarHBondContact O-CA 3.48Å; M93-G97 PolarHBondContact O-N 2.85Å; M93-K103 HydrophobicContact CG-CB 4.25Å; M93-K103 HydrophobicContact CG-CD 4.3Å; M93-K103 HydrophobicContact SD-CD 3.99Å; M93-F117 HydrophobicContact CB-CE1 4.47Å; M93-F117 HydrophobicContact CG-CE1 3.71Å; M93-F117 HydrophobicContact CG-CZ 4.09Å; M93-K399 HydrophobicContact CB-CB 4.18Å; M93-K399 HydrophobicContact CB-CD 4.23Å; M93-K399 HydrophobicContact CE-CB 3.51Å
94	D	94	Very high	92.5	Very high	79 Å²	79	33.3 Å²	33.3	42%	0.422	19%	0.194	S	C	.	.	H	α-helix	trans	-69.6	-33.2	179.2	-70.7	-14	0	0	0	112.4	H90 L91 F92 P98 K399	H90-D94 WeakPolarHBondContact O-CB 3.07Å; H90-D94 VanDerWaalsContact O-CG 3.27Å; H90-D94 PolarHBondContact O-N 2.87Å; L91-D94 PolarHBondContact O-N 3.12Å; F92-D94 PolarHBondContact O-N 2.81Å; D94-P98 WeakPolarHBondContact O-CD 3.42Å; D94-P98 WeakPolarHBondContact O-CG 3.48Å; D94-K399 IonicContact OD1-NZ 3.82Å; D94-K399 PolarHBondContact OD1-NZ 3.47Å
95	T	96	Very high	94.2	Very high	27 Å²	27	32.3 Å²	32.3	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-77.2	-41.1	178.5	-56.5	0	0	0	0	112.2	V49 L53 L55 L91 F92 M93	V49-T95 HydrophobicContact CG2-CG2 4.04Å; L53-T95 HydrophobicContact CD1-CG2 3.77Å; L55-T95 HydrophobicContact CD1-CG2 3.5Å; L55-T95 VanDerWaalsContact CD1-CG2 3.5Å; L91-T95 VanDerWaalsContact O-CB 3.32Å; L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 2.78Å; L91-T95 PolarHBondContact O-OG1 2.86Å; F92-T95 PolarHBondContact O-N 3.03Å; M93-T95 VanDerWaalsContact C-N 3.34Å
96	L	96.4	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-88.9	-31.1	-173.5	-70.5	174.9	0	0	0	113.2	L53 L55 Y64 F92 K99 F101 F117	L53-L96 HydrophobicContact CD1-CD1 4.49Å; L53-L96 HydrophobicContact CD1-CD2 3.93Å; L53-L96 HydrophobicContact CD1-CG 4.03Å; L55-L96 HydrophobicContact CD2-CD2 3.85Å; Y64-L96 HydrophobicContact CD2-CD1 4.08Å; Y64-L96 HydrophobicContact CD2-CD2 3.72Å; Y64-L96 HydrophobicContact CE2-CD2 3.49Å; Y64-L96 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L96 HydrophobicContact CG-CD1 4.21Å; Y64-L96 HydrophobicContact CG-CD2 4.33Å; F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 WeakPolarHBondContact O-CG 3.3Å; F92-L96 PolarHBondContact O-N 3.41Å; L96-K99 WeakPolarHBondContact O-CA 3.43Å; L96-K99 WeakPolarHBondContact O-CB 3.35Å; L96-K99 PolarHBondContact O-N 3.47Å; L96-F101 HydrophobicContact CB-CB 3.87Å; L96-F101 HydrophobicContact CB-CG 4.46Å; L96-F101 HydrophobicContact CD2-CD2 4.42Å; L96-F101 PolarHBondContact O-N 3.42Å; L96-F117 HydrophobicContact CD1-CB 4.16Å; L96-F117 HydrophobicContact CD1-CD1 3.9Å; L96-F117 HydrophobicContact CD1-CD2 3.79Å; L96-F117 HydrophobicContact CD1-CE1 4.21Å; L96-F117 HydrophobicContact CD1-CE2 4.11Å; L96-F117 HydrophobicContact CD1-CG 3.69Å; L96-F117 HydrophobicContact CD1-CZ 4.33Å
97	G	94.4	Very high	95.5	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-52.1	-51.1	179.7	0	0	0	0	0	114	M93 K99 G100 F101	M93-G97 WeakPolarHBondContact O-CA 3.48Å; M93-G97 PolarHBondContact O-N 2.85Å; G97-K99 PolarHBondContact O-N 3.35Å; G97-G100 PolarHBondContact O-N 2.98Å; G97-F101 WeakPolarHBondContact CA-O 3.43Å
98	P	92.6	Very high	95.6	Very high	104 Å²	104	32 Å²	32	68%	0.675	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-61.4	-11.8	176.2	-24.9	35.4	0	0	0	114.9	D94	D94-P98 WeakPolarHBondContact O-CD 3.42Å; D94-P98 WeakPolarHBondContact O-CG 3.48Å
99	K	92.9	Very high	95.4	Very high	115 Å²	115	32.2 Å²	32.2	50%	0.5	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-98.2	9.1	175.6	-57.1	-61.7	-174.4	177.4	0	112.7	L96 G97 F101	L96-K99 WeakPolarHBondContact O-CA 3.43Å; L96-K99 WeakPolarHBondContact O-CB 3.35Å; L96-K99 PolarHBondContact O-N 3.47Å; G97-K99 PolarHBondContact O-N 3.35Å; K99-F101 HydrophobicContact CB-CD2 3.87Å; K99-F101 HydrophobicContact CB-CE2 4.17Å
100	G	94	Very high	95	Very high	35 Å²	35	35.6 Å²	35.6	36%	0.361	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	18.7	177.9	0	0	0	0	0	114.2	G97 K119 M120	G97-G100 PolarHBondContact O-N 2.98Å; G100-K119 WeakPolarHBondContact O-CA 2.88Å; G100-M120 PolarHBondContact O-N 3.35Å
101	F	97.4	Very high	94.9	Very high	11 Å²	11	32 Å²	32	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.2	175.8	-73	-94.7	0	0	0	111.4	I61 Y64 L96 G97 K99 F117 A118 K119	I61-F101 HydrophobicContact CB-CZ 4.27Å; I61-F101 HydrophobicContact CG2-CE1 4.49Å; I61-F101 HydrophobicContact CG2-CZ 4.41Å; I61-F101 WeakPolarHBondContact O-CZ 3.41Å; Y64-F101 AromaticContact CD2-CD1 3.69Å; Y64-F101 HydrophobicContact CD2-CD1 3.69Å; Y64-F101 AromaticContact CD2-CE1 3.43Å; Y64-F101 HydrophobicContact CD2-CE1 3.43Å; Y64-F101 VanDerWaalsContact CD2-CE1 3.43Å; Y64-F101 HydrophobicContact CD2-CE2 4.4Å; Y64-F101 HydrophobicContact CD2-CG 4.28Å; Y64-F101 AromaticContact CD2-CZ 3.83Å; Y64-F101 HydrophobicContact CD2-CZ 3.83Å; Y64-F101 HydrophobicContact CE2-CD1 4.03Å; Y64-F101 HydrophobicContact CE2-CD2 4.24Å; Y64-F101 AromaticContact CE2-CE1 3.51Å; Y64-F101 HydrophobicContact CE2-CE1 3.51Å; Y64-F101 AromaticContact CE2-CE2 3.75Å; Y64-F101 HydrophobicContact CE2-CE2 3.75Å; Y64-F101 HydrophobicContact CE2-CG 4.36Å; Y64-F101 AromaticContact CE2-CZ 3.35Å; Y64-F101 HydrophobicContact CE2-CZ 3.35Å; L96-F101 HydrophobicContact CB-CB 3.87Å; L96-F101 HydrophobicContact CB-CG 4.46Å; L96-F101 HydrophobicContact CD2-CD2 4.42Å; L96-F101 PolarHBondContact O-N 3.42Å; G97-F101 WeakPolarHBondContact CA-O 3.43Å; K99-F101 HydrophobicContact CB-CD2 3.87Å; K99-F101 HydrophobicContact CB-CE2 4.17Å; F101-F117 HydrophobicContact CB-CB 4.45Å; F101-F117 HydrophobicContact CD1-CB 4.39Å; F101-A118 WeakPolarHBondContact CA-O 3.35Å; F101-A118 VanDerWaalsContact CD1-C 3.46Å; F101-K119 HydrophobicContact CD1-CG 4.28Å; F101-K119 HydrophobicContact CE1-CG 3.78Å; F101-K119 HydrophobicContact CE2-CG 4.16Å; F101-K119 HydrophobicContact CZ-CG 3.71Å
102	V	98.2	Very high	94.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	177.4	-176.8	0	0	0	0	108.1	V104 F117 A118 M120 L123 F398	V102-V104 PolarHBondContact O-N 3.19Å; V102-V104 VanDerWaalsContact O-N 3.12Å; V102-F117 VanDerWaalsContact O-CA 3.25Å; V102-F117 WeakPolarHBondContact O-CA 3.31Å; V102-A118 PolarHBondContact N-O 2.65Å; V102-A118 PolarHBondContact O-N 3.06Å; V102-M120 HydrophobicContact CG2-CB 4.4Å; V102-L123 HydrophobicContact CB-CD1 3.89Å; V102-L123 HydrophobicContact CB-CD2 4.26Å; V102-L123 HydrophobicContact CG1-CD1 4.07Å; V102-L123 HydrophobicContact CG2-CD1 3.84Å; V102-F398 HydrophobicContact CB-CE2 4.3Å; V102-F398 HydrophobicContact CG1-CD2 3.93Å; V102-F398 HydrophobicContact CG1-CE2 3.5Å; V102-F398 HydrophobicContact CG1-CZ 4.28Å; V102-F398 HydrophobicContact CG2-CD2 4.21Å; V102-F398 HydrophobicContact CG2-CE1 4.27Å; V102-F398 HydrophobicContact CG2-CE2 3.79Å; V102-F398 HydrophobicContact CG2-CZ 3.82Å
103	K	98.1	Very high	94.9	Very high	11 Å²	11	30.9 Å²	30.9	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	110	169.2	-168	178	67.1	147.7	0	108.2	E85 M93 S106 L115 F117 K399	E85-K103 IonicContact OE1-NZ 3.86Å; E85-K103 PolarHBondContact OE1-NZ 3.1Å; E85-K103 IonicContact OE2-NZ 3.68Å; E85-K103 PolarHBondContact OE2-NZ 2.87Å; M93-K103 HydrophobicContact CG-CB 4.25Å; M93-K103 HydrophobicContact CG-CD 4.3Å; M93-K103 HydrophobicContact SD-CD 3.99Å; K103-S106 PolarHBondContact NZ-OG 3.26Å; K103-S106 VanDerWaalsContact NZ-OG 3.14Å; K103-L115 HydrophobicContact CD-CD2 4.15Å; K103-F117 HydrophobicContact CB-CD1 3.79Å; K103-F117 HydrophobicContact CB-CE1 3.57Å; K103-F117 HydrophobicContact CB-CZ 4.27Å; K103-F117 HydrophobicContact CD-CE1 4.42Å; K103-F117 HydrophobicContact CD-CZ 4.3Å; K103-F117 HydrophobicContact CG-CD1 4.28Å; K103-F117 HydrophobicContact CG-CE1 3.92Å; K103-F117 HydrophobicContact CG-CZ 4.11Å; K103-K399 VanDerWaalsContact CB-O 3.31Å; K103-K399 WeakPolarHBondContact CB-O 3.48Å; K103-K399 PolarHBondContact N-O 3.15Å
104	V	98.2	Very high	95	Very high	25 Å²	25	30.5 Å²	30.5	15%	0.152	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-51.9	-179.5	170.1	0	0	0	0	109.6	V102 V116 A118 L123 I126 I129	V102-V104 PolarHBondContact O-N 3.19Å; V102-V104 VanDerWaalsContact O-N 3.12Å; V104-V116 HydrophobicContact CB-CB 4.42Å; V104-V116 HydrophobicContact CB-CG1 4.19Å; V104-V116 PolarHBondContact N-O 2.98Å; V104-A118 HydrophobicContact CG2-CB 3.53Å; V104-L123 HydrophobicContact CG2-CD2 3.72Å; V104-I126 HydrophobicContact CG1-CG2 3.93Å; V104-I126 HydrophobicContact CG2-CD1 3.95Å; V104-I129 HydrophobicContact CG1-CD1 3.38Å
105	T	97.8	Very high	95.2	Very high	29 Å²	29	26.7 Å²	26.7	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	168.5	177.9	-169.5	0	0	0	0	110.8	V116 I129 T131 V150	T105-V116 HydrophobicContact CG2-CB 4.33Å; T105-V116 HydrophobicContact CG2-CG2 4.47Å; T105-V116 PolarHBondContact N-O 3.42Å; T105-V116 PolarHBondContact O-N 3.37Å; T105-I129 HydrophobicContact CG2-CG2 3.71Å; T105-T131 HydrophobicContact CG2-CG2 4.43Å; T105-V150 HydrophobicContact CG2-CB 4.31Å; T105-V150 HydrophobicContact CG2-CG1 3.39Å; T105-V150 HydrophobicContact CG2-CG2 3.88Å
106	S	97	Very high	95.4	Very high	39 Å²	39	25.4 Å²	25.4	27%	0.273	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.1	176.1	54.8	0	0	0	0	111.1	K103 L114 L115	K103-S106 PolarHBondContact NZ-OG 3.26Å; K103-S106 VanDerWaalsContact NZ-OG 3.14Å; S106-L114 CarbonylContact C-O 3.46Å; S106-L114 WeakPolarHBondContact CA-O 3.23Å; S106-L115 VanDerWaalsContact CB-CD2 3.49Å
107	V	95.7	Very high	95.5	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.9	174.5	60.8	0	0	0	0	110.2	L114 T131 V148 V150	V107-L114 HydrophobicContact CG1-CB 3.75Å; V107-L114 HydrophobicContact CG1-CD2 4.16Å; V107-L114 HydrophobicContact CG1-CG 4.26Å; V107-L114 PolarHBondContact N-O 3.42Å; V107-L114 PolarHBondContact O-N 2.79Å; V107-T131 HydrophobicContact CB-CG2 4.08Å; V107-V148 HydrophobicContact CG1-CB 3.74Å; V107-V148 HydrophobicContact CG1-CG2 3.91Å; V107-V148 HydrophobicContact CG2-CB 4.15Å; V107-V148 HydrophobicContact CG2-CG1 4.45Å; V107-V150 HydrophobicContact CG1-CG2 3.75Å
108	R	93.1	Very high	95.7	Very high	56 Å²	56	25.3 Å²	25.3	21%	0.211	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.2	-176.7	-169.1	178.5	-177.8	166.1	-6.3	111.7	N72 D81 Q110 L112 L113	N72-R108 PolarHBondContact O-NH2 3.47Å; D81-R108 VanDerWaalsContact CG-NH1 3.34Å; D81-R108 IonicContact OD2-CZ 3.05Å; D81-R108 IonicContact OD2-NH1 3.84Å; D81-R108 PolarHBondContact OD2-NH1 2.95Å; D81-R108 IonicContact OD2-NH2 3.64Å; D81-R108 PolarHBondContact OD2-NH2 3Å; R108-Q110 PolarHBondContact NE-O 3.14Å; R108-L112 CarbonylContact C-O 3.24Å; R108-L112 VanDerWaalsContact CA-O 3.25Å; R108-L112 WeakPolarHBondContact CA-O 3.34Å; R108-L112 VanDerWaalsContact CG-O 3.24Å; R108-L112 WeakPolarHBondContact CG-O 3.49Å; R108-L113 HydrophobicContact CB-CD1 4.03Å; R108-L113 HydrophobicContact CG-CD1 4.24Å
109	M	90.6	Very high	95.9	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.02	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	102.4	168.1	-176.7	-173.1	68	0	0	109.7	G111 L112 Y133 R135 V148	M109-G111 PolarHBondContact O-N 3.15Å; M109-L112 HydrophobicContact CB-CB 4.45Å; M109-L112 HydrophobicContact CE-CD1 3.39Å; M109-L112 PolarHBondContact N-O 3.14Å; M109-L112 WeakPolarHBondContact O-CB 3.33Å; M109-L112 PolarHBondContact O-N 2.66Å; M109-Y133 HydrophobicContact CB-CD2 4.43Å; M109-Y133 HydrophobicContact CB-CG 4.21Å; M109-Y133 HydrophobicContact CG-CD2 4Å; M109-Y133 HydrophobicContact CG-CG 4.28Å; M109-Y133 HydrophobicContact SD-CD2 3.47Å; M109-Y133 WeakPolarHBondContact SD-CD2 3.2Å; M109-Y133 HydrophobicContact SD-CE2 4.26Å; M109-Y133 HydrophobicContact SD-CG 4.06Å; M109-R135 HydrophobicContact CE-CG 4.37Å; M109-R135 HydrophobicContact CG-CG 4.48Å; M109-R135 HydrophobicContact SD-CB 4.37Å; M109-R135 HydrophobicContact SD-CG 3.31Å; M109-R135 WeakPolarHBondContact SD-CG 3.35Å; M109-V148 HydrophobicContact CB-CG1 3.37Å
110	Q	87.3	Confident	96.1	Very high	73 Å²	73	19.2 Å²	19.2	34%	0.341	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-114.1	-172.2	-57.3	-174.3	6.5	0	0	111	V73 R108 G143 N144	V73-Q110 WeakPolarHBondContact CG2-O 3.41Å; R108-Q110 PolarHBondContact NE-O 3.14Å; Q110-G143 VanDerWaalsContact CD-O 3.22Å; Q110-G143 PolarHBondContact NE2-O 2.6Å; Q110-G143 VanDerWaalsContact NE2-O 3.09Å; Q110-G143 VanDerWaalsContact OE1-C 3.27Å; Q110-G143 PolarHBondContact OE1-O 2.86Å; Q110-G143 VanDerWaalsContact OE1-O 3.07Å; Q110-N144 VanDerWaalsContact OE1-CA 3.23Å
111	G	90.9	Very high	96.1	Very high	8 Å²	8	23.4 Å²	23.4	8%	0.082	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.2	179.8	0	0	0	0	0	114.4	Q69 E70 V71 M109	Q69-G111 CarbonylContact C-O 3.57Å; Q69-G111 VanDerWaalsContact C-O 3.29Å; Q69-G111 WeakPolarHBondContact CA-O 3.43Å; E70-G111 PolarHBondContact N-O 2.69Å; V71-G111 PolarHBondContact N-O 2.86Å; V71-G111 WeakPolarHBondContact O-CA 3.42Å; M109-G111 PolarHBondContact O-N 3.15Å
112	L	94.9	Very high	96.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127	170.7	-80.9	159.1	0	0	0	109.5	L68 Q69 R108 M109 G146 V148 H165	L68-L112 WeakPolarHBondContact O-CA 3.48Å; Q69-L112 HydrophobicContact CB-CD2 4.38Å; Q69-L112 HydrophobicContact CG-CD2 3.76Å; R108-L112 CarbonylContact C-O 3.24Å; R108-L112 VanDerWaalsContact CA-O 3.25Å; R108-L112 WeakPolarHBondContact CA-O 3.34Å; R108-L112 VanDerWaalsContact CG-O 3.24Å; R108-L112 WeakPolarHBondContact CG-O 3.49Å; M109-L112 HydrophobicContact CB-CB 4.45Å; M109-L112 HydrophobicContact CE-CD1 3.39Å; M109-L112 PolarHBondContact N-O 3.14Å; M109-L112 WeakPolarHBondContact O-CB 3.33Å; M109-L112 PolarHBondContact O-N 2.66Å; L112-G146 WeakPolarHBondContact CD1-O 3.48Å; L112-V148 HydrophobicContact CB-CG1 3.94Å; L112-V148 HydrophobicContact CB-CG2 4.35Å; L112-H165 HydrophobicContact CD1-CB 4.14Å; L112-H165 HydrophobicContact CD2-CB 3.87Å; L112-H165 HydrophobicContact CG-CB 4.13Å
113	L	97	Very high	96.1	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.6	177.4	178.3	65.7	0	0	0	109.1	G67 L68 V71 D86 W88 R108 L115 N163	G67-L113 CarbonylContact C-O 3.5Å; G67-L113 WeakPolarHBondContact CA-O 3.36Å; L68-L113 HydrophobicContact CB-CB 4.37Å; L68-L113 HydrophobicContact CD1-CD2 4.25Å; L68-L113 PolarHBondContact N-O 2.69Å; L68-L113 PolarHBondContact O-N 3.14Å; V71-L113 HydrophobicContact CG2-CB 4.02Å; V71-L113 HydrophobicContact CG2-CD2 4.47Å; D86-L113 VanDerWaalsContact OD2-CD2 3.29Å; D86-L113 WeakPolarHBondContact OD2-CD2 3.35Å; W88-L113 HydrophobicContact CB-CD2 4.5Å; R108-L113 HydrophobicContact CB-CD1 4.03Å; R108-L113 HydrophobicContact CG-CD1 4.24Å; L113-L115 HydrophobicContact CD1-CD2 4.07Å; L113-L115 HydrophobicContact CD1-CG 4.48Å; L113-L115 HydrophobicContact CD2-CD1 4.12Å; L113-L115 HydrophobicContact CD2-CD2 4.32Å; L113-L115 HydrophobicContact CD2-CG 4.23Å; L113-L115 HydrophobicContact CG-CD1 4.5Å; L113-L115 HydrophobicContact CG-CD2 4.19Å; L113-L115 HydrophobicContact CG-CG 4.09Å; L113-N163 PolarHBondContact O-ND2 3.25Å
114	L	98.7	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126	173.4	171.7	58.4	0	0	0	108.7	V65 I66 S106 V107 V148 V150 F161 N163 F206	V65-L114 HydrophobicContact CG1-CD1 3.73Å; I66-L114 WeakPolarHBondContact O-CA 3.43Å; S106-L114 CarbonylContact C-O 3.46Å; S106-L114 WeakPolarHBondContact CA-O 3.23Å; V107-L114 HydrophobicContact CG1-CB 3.75Å; V107-L114 HydrophobicContact CG1-CD2 4.16Å; V107-L114 HydrophobicContact CG1-CG 4.26Å; V107-L114 PolarHBondContact N-O 3.42Å; V107-L114 PolarHBondContact O-N 2.79Å; L114-V148 HydrophobicContact CB-CG2 3.62Å; L114-V148 HydrophobicContact CD2-CG2 4.47Å; L114-V150 HydrophobicContact CD2-CB 4.02Å; L114-V150 HydrophobicContact CD2-CG2 3.71Å; L114-V150 HydrophobicContact CG-CG2 3.9Å; L114-F161 HydrophobicContact CD2-CB 4.32Å; L114-F161 WeakPolarHBondContact CD2-O 3.5Å; L114-N163 HydrophobicContact CB-CB 4.1Å; L114-N163 HydrophobicContact CD1-CB 4.34Å; L114-N163 HydrophobicContact CD2-CB 4.41Å; L114-F206 HydrophobicContact CD1-CE1 4.47Å; L114-F206 HydrophobicContact CD1-CE2 4.29Å; L114-F206 HydrophobicContact CD1-CZ 3.55Å
115	L	98.7	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.4	-179.4	-55.9	167.2	0	0	0	109.3	V65 I66 S89 F92 K103 S106 L113 F117	V65-L115 WeakPolarHBondContact CA-O 3.48Å; I66-L115 HydrophobicContact CB-CB 4.33Å; I66-L115 PolarHBondContact N-O 3.29Å; I66-L115 PolarHBondContact O-N 3.13Å; S89-L115 WeakPolarHBondContact OG-CD2 3.2Å; F92-L115 HydrophobicContact CD2-CD1 3.66Å; F92-L115 HydrophobicContact CE2-CD1 4.31Å; K103-L115 HydrophobicContact CD-CD2 4.15Å; S106-L115 VanDerWaalsContact CB-CD2 3.49Å; L113-L115 HydrophobicContact CD1-CD2 4.07Å; L113-L115 HydrophobicContact CD1-CG 4.48Å; L113-L115 HydrophobicContact CD2-CD1 4.12Å; L113-L115 HydrophobicContact CD2-CD2 4.32Å; L113-L115 HydrophobicContact CD2-CG 4.23Å; L113-L115 HydrophobicContact CG-CD1 4.5Å; L113-L115 HydrophobicContact CG-CD2 4.19Å; L113-L115 HydrophobicContact CG-CG 4.09Å; L115-F117 HydrophobicContact CB-CD2 4.35Å; L115-F117 HydrophobicContact CB-CE2 3.64Å; L115-F117 HydrophobicContact CB-CZ 4.41Å; L115-F117 HydrophobicContact CD1-CE2 4.25Å; L115-F117 HydrophobicContact CG-CE2 4.49Å
116	V	98.9	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.2	172.9	-178.4	0	0	0	0	109	Y64 V65 V104 T105 V150 F152	Y64-V116 WeakPolarHBondContact O-CA 3.25Å; V65-V116 HydrophobicContact CG2-CG1 4.34Å; V65-V116 HydrophobicContact CG2-CG2 4.28Å; V104-V116 HydrophobicContact CB-CB 4.42Å; V104-V116 HydrophobicContact CB-CG1 4.19Å; V104-V116 PolarHBondContact N-O 2.98Å; T105-V116 HydrophobicContact CG2-CB 4.33Å; T105-V116 HydrophobicContact CG2-CG2 4.47Å; T105-V116 PolarHBondContact N-O 3.42Å; T105-V116 PolarHBondContact O-N 3.37Å; V116-V150 HydrophobicContact CG2-CB 4.12Å; V116-V150 HydrophobicContact CG2-CG1 3.85Å; V116-V150 HydrophobicContact CG2-CG2 4.18Å; V116-F152 HydrophobicContact CG1-CE1 3.92Å; V116-F152 HydrophobicContact CG1-CZ 4.21Å; V116-F152 HydrophobicContact CG2-CE1 4.48Å
117	F	98.8	Very high	96	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.1	173.2	-56.9	-103.2	0	0	0	109.9	L63 Y64 I66 F92 M93 L96 F101 V102 K103 L115	L63-F117 CarbonylContact C-O 3.39Å; L63-F117 WeakPolarHBondContact CA-O 3.36Å; Y64-F117 PolarHBondContact N-O 2.96Å; Y64-F117 PolarHBondContact O-N 3.29Å; I66-F117 HydrophobicContact CD1-CD2 4.4Å; I66-F117 HydrophobicContact CD1-CE2 4.12Å; F92-F117 HydrophobicContact CB-CE2 4.02Å; F92-F117 HydrophobicContact CB-CZ 3.69Å; M93-F117 HydrophobicContact CB-CE1 4.47Å; M93-F117 HydrophobicContact CG-CE1 3.71Å; M93-F117 HydrophobicContact CG-CZ 4.09Å; L96-F117 HydrophobicContact CD1-CB 4.16Å; L96-F117 HydrophobicContact CD1-CD1 3.9Å; L96-F117 HydrophobicContact CD1-CD2 3.79Å; L96-F117 HydrophobicContact CD1-CE1 4.21Å; L96-F117 HydrophobicContact CD1-CE2 4.11Å; L96-F117 HydrophobicContact CD1-CG 3.69Å; L96-F117 HydrophobicContact CD1-CZ 4.33Å; F101-F117 HydrophobicContact CB-CB 4.45Å; F101-F117 HydrophobicContact CD1-CB 4.39Å; V102-F117 VanDerWaalsContact O-CA 3.25Å; V102-F117 WeakPolarHBondContact O-CA 3.31Å; K103-F117 HydrophobicContact CB-CD1 3.79Å; K103-F117 HydrophobicContact CB-CE1 3.57Å; K103-F117 HydrophobicContact CB-CZ 4.27Å; K103-F117 HydrophobicContact CD-CE1 4.42Å; K103-F117 HydrophobicContact CD-CZ 4.3Å; K103-F117 HydrophobicContact CG-CD1 4.28Å; K103-F117 HydrophobicContact CG-CE1 3.92Å; K103-F117 HydrophobicContact CG-CZ 4.11Å; L115-F117 HydrophobicContact CB-CD2 4.35Å; L115-F117 HydrophobicContact CB-CE2 3.64Å; L115-F117 HydrophobicContact CB-CZ 4.41Å; L115-F117 HydrophobicContact CD1-CE2 4.25Å; L115-F117 HydrophobicContact CG-CE2 4.49Å
118	A	98.6	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.7	174.8	0	0	0	0	0	110.2	D62 L63 F101 V102 V104 H122 L123 I126	D62-A118 WeakPolarHBondContact O-CA 3.26Å; L63-A118 HydrophobicContact CD2-CB 3.48Å; L63-A118 VanDerWaalsContact CD2-CB 3.48Å; F101-A118 WeakPolarHBondContact CA-O 3.35Å; F101-A118 VanDerWaalsContact CD1-C 3.46Å; V102-A118 PolarHBondContact N-O 2.65Å; V102-A118 PolarHBondContact O-N 3.06Å; V104-A118 HydrophobicContact CG2-CB 3.53Å; A118-H122 HydrophobicContact CB-CB 4.37Å; A118-L123 HydrophobicContact CB-CD2 4.2Å; A118-I126 HydrophobicContact CB-CD1 3.45Å; A118-I126 VanDerWaalsContact CB-CD1 3.45Å
119	K	97.4	Very high	96.2	Very high	43 Å²	43	20 Å²	20	19%	0.187	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	142.6	164.7	-74.1	-178.1	178.1	139.5	0	109.7	I61 D62 G100 F101 M121 H122	I61-K119 WeakPolarHBondContact O-CE 3.16Å; I61-K119 PolarHBondContact O-NZ 2.67Å; D62-K119 PolarHBondContact O-N 3.36Å; D62-K119 IonicContact OD1-NZ 2.95Å; D62-K119 PolarHBondContact OD1-NZ 3.22Å; G100-K119 WeakPolarHBondContact O-CA 2.88Å; F101-K119 HydrophobicContact CD1-CG 4.28Å; F101-K119 HydrophobicContact CE1-CG 3.78Å; F101-K119 HydrophobicContact CE2-CG 4.16Å; F101-K119 HydrophobicContact CZ-CG 3.71Å; K119-M121 HydrophobicContact CB-CG 4.11Å; K119-M121 HydrophobicContact CD-SD 4.42Å; K119-M121 PolarHBondContact O-N 2.83Å; K119-M121 VanDerWaalsContact O-N 3.09Å; K119-H122 WeakPolarHBondContact O-CB 3.49Å; K119-H122 PolarHBondContact O-N 3.1Å
120	M	96.1	Very high	96.5	Very high	48 Å²	48	22.1 Å²	22.1	24%	0.236	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-50.4	-39.3	-178.2	-170.9	178.7	79	0	0	113.3	G100 V102 H122 L123 F398 V439 L453	G100-M120 PolarHBondContact O-N 3.35Å; V102-M120 HydrophobicContact CG2-CB 4.4Å; M120-H122 PolarHBondContact O-N 2.76Å; M120-H122 VanDerWaalsContact O-N 3.1Å; M120-L123 HydrophobicContact CG-CD1 4.25Å; M120-L123 WeakPolarHBondContact O-CG 3.42Å; M120-L123 PolarHBondContact O-N 3.16Å; M120-L123 VanDerWaalsContact O-N 3.13Å; M120-F398 HydrophobicContact CG-CE1 4.15Å; M120-F398 HydrophobicContact CG-CZ 4.37Å; M120-F398 HydrophobicContact SD-CE1 3.73Å; M120-V439 HydrophobicContact SD-CG1 4.48Å; M120-L453 HydrophobicContact CG-CD1 3.86Å; M120-L453 WeakPolarHBondContact O-CD1 3.39Å
121	M	95.6	Very high	97	Very high	123 Å²	123	21.6 Å²	21.6	61%	0.606	11%	0.11	S	C	*	.	G	3₁₀ helix	trans	-61.8	-18.2	179.3	68	-177.4	-69.5	0	0	114.8	K119 F125	K119-M121 HydrophobicContact CB-CG 4.11Å; K119-M121 HydrophobicContact CD-SD 4.42Å; K119-M121 PolarHBondContact O-N 2.83Å; K119-M121 VanDerWaalsContact O-N 3.09Å; M121-F125 WeakPolarHBondContact O-CD2 3.23Å; M121-F125 WeakPolarHBondContact O-CE2 3.47Å
122	H	97.8	Very high	97.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-92.3	-15	179.3	-61.8	-45.1	0	0	0	113.4	F31 D62 A118 K119 M120 F125 I126 F154 Y155	F31-H122 AromaticContact CD1-CE1 3.97Å; F31-H122 AromaticContact CE1-CE1 3.75Å; D62-H122 WeakPolarHBondContact CB-NE2 3.22Å; D62-H122 IonicContact OD1-NE2 3.2Å; D62-H122 PolarHBondContact OD1-NE2 2.89Å; A118-H122 HydrophobicContact CB-CB 4.37Å; K119-H122 WeakPolarHBondContact O-CB 3.49Å; K119-H122 PolarHBondContact O-N 3.1Å; M120-H122 PolarHBondContact O-N 2.76Å; M120-H122 VanDerWaalsContact O-N 3.1Å; H122-F125 CarbonylContact O-C 3.58Å; H122-F125 WeakPolarHBondContact O-CA 3.07Å; H122-F125 PolarHBondContact O-N 3.44Å; H122-I126 HydrophobicContact CB-CD1 4.27Å; H122-I126 PolarHBondContact O-N 2.68Å; H122-F154 HydrophobicContact CB-CE2 4.13Å; H122-Y155 AromaticContact ND1-CE2 3.79Å; H122-Y155 AromaticContact ND1-CZ 3.8Å; H122-Y155 PolarHBondContact ND1-OH 3.49Å
123	L	98	Very high	97.2	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-56.1	-46.3	-171.9	-59	177.3	0	0	0	113.2	V102 V104 A118 M120 F125 I126 F398 I450 L453	V102-L123 HydrophobicContact CB-CD1 3.89Å; V102-L123 HydrophobicContact CB-CD2 4.26Å; V102-L123 HydrophobicContact CG1-CD1 4.07Å; V102-L123 HydrophobicContact CG2-CD1 3.84Å; V104-L123 HydrophobicContact CG2-CD2 3.72Å; A118-L123 HydrophobicContact CB-CD2 4.2Å; M120-L123 HydrophobicContact CG-CD1 4.25Å; M120-L123 WeakPolarHBondContact O-CG 3.42Å; M120-L123 PolarHBondContact O-N 3.16Å; M120-L123 VanDerWaalsContact O-N 3.13Å; L123-F125 PolarHBondContact O-N 3.06Å; L123-I126 PolarHBondContact O-N 3.44Å; L123-F398 HydrophobicContact CD1-CE2 4.39Å; L123-F398 HydrophobicContact CD1-CZ 3.96Å; L123-I450 CarbonylContact C-O 3.52Å; L123-I450 VanDerWaalsContact C-O 3.27Å; L123-I450 HydrophobicContact CB-CB 4.36Å; L123-I450 HydrophobicContact CD1-CD1 4.24Å; L123-L453 HydrophobicContact CB-CD1 4.36Å; L123-L453 HydrophobicContact CD1-CD1 4.49Å
124	P	97.8	Very high	97.1	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.019	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-61.7	-14.3	178.9	-22.9	36.1	0	0	0	115	R127 Q357 I450 L453	P124-R127 PolarHBondContact O-NE 3.39Å; P124-R127 VanDerWaalsContact O-NE 3.14Å; P124-R127 PolarHBondContact O-NH2 3.16Å; P124-Q357 HydrophobicContact CB-CB 3.66Å; P124-Q357 HydrophobicContact CG-CB 4.47Å; P124-I450 VanDerWaalsContact CA-O 3.28Å; P124-I450 WeakPolarHBondContact CA-O 3.4Å; P124-L453 HydrophobicContact CG-CB 4.36Å; P124-L453 HydrophobicContact CG-CD1 3.98Å; P124-L453 HydrophobicContact CG-CG 4.11Å
125	F	97.9	Very high	96.8	Very high	25 Å²	25	32 Å²	32	11%	0.11	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-109.4	1.1	-176.2	-47.8	-67.3	0	0	0	113.2	M121 H122 L123 Y155 F354 D355	M121-F125 WeakPolarHBondContact O-CD2 3.23Å; M121-F125 WeakPolarHBondContact O-CE2 3.47Å; H122-F125 CarbonylContact O-C 3.58Å; H122-F125 WeakPolarHBondContact O-CA 3.07Å; H122-F125 PolarHBondContact O-N 3.44Å; L123-F125 PolarHBondContact O-N 3.06Å; F125-Y155 HydrophobicContact CB-CD1 3.65Å; F125-Y155 HydrophobicContact CB-CD2 4.35Å; F125-Y155 HydrophobicContact CB-CE1 3.45Å; F125-Y155 VanDerWaalsContact CB-CE1 3.45Å; F125-Y155 HydrophobicContact CB-CE2 4.17Å; F125-Y155 HydrophobicContact CB-CG 4.1Å; F125-Y155 HydrophobicContact CD1-CD1 4.18Å; F125-Y155 AromaticContact CD1-CE1 3.84Å; F125-Y155 HydrophobicContact CD1-CE1 3.84Å; F125-Y155 HydrophobicContact CD2-CD1 4.44Å; F125-Y155 AromaticContact CD2-CE1 3.46Å; F125-Y155 HydrophobicContact CD2-CE1 3.46Å; F125-Y155 VanDerWaalsContact CD2-CE1 3.46Å; F125-Y155 AromaticContact CD2-CZ 3.59Å; F125-Y155 VanDerWaalsContact CD2-OH 3.31Å; F125-Y155 WeakPolarHBondContact CD2-OH 3.45Å; F125-Y155 HydrophobicContact CE1-CE1 4.44Å; F125-Y155 HydrophobicContact CE2-CE1 4.12Å; F125-Y155 AromaticContact CG-CD1 3.83Å; F125-Y155 HydrophobicContact CG-CD1 3.83Å; F125-Y155 AromaticContact CG-CE1 3.27Å; F125-Y155 HydrophobicContact CG-CE1 3.27Å; F125-Y155 AromaticContact CG-CZ 3.76Å; F125-Y155 PolarHBondContact O-N 3.47Å; F125-F354 HydrophobicContact CB-CE2 4.03Å; F125-F354 AromaticContact CD1-CD2 3.97Å; F125-F354 HydrophobicContact CD1-CD2 3.97Å; F125-F354 HydrophobicContact CD1-CE2 4.28Å; F125-D355 VanDerWaalsContact CE1-O 3.25Å; F125-D355 WeakPolarHBondContact CE1-O 3.25Å; F125-D355 VanDerWaalsContact CZ-O 3.3Å; F125-D355 WeakPolarHBondContact CZ-O 3.48Å
126	I	98.1	Very high	96.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	104.3	169.1	-63.5	165.2	0	0	0	107.5	L63 V104 A118 H122 L123 I129 F152 S153 F154 S449	L63-I126 HydrophobicContact CD2-CD1 4.21Å; V104-I126 HydrophobicContact CG1-CG2 3.93Å; V104-I126 HydrophobicContact CG2-CD1 3.95Å; A118-I126 HydrophobicContact CB-CD1 3.45Å; A118-I126 VanDerWaalsContact CB-CD1 3.45Å; H122-I126 HydrophobicContact CB-CD1 4.27Å; H122-I126 PolarHBondContact O-N 2.68Å; L123-I126 PolarHBondContact O-N 3.44Å; I126-I129 HydrophobicContact CG2-CD1 3.77Å; I126-I129 HydrophobicContact CG2-CG1 4.1Å; I126-F152 HydrophobicContact CG2-CB 3.93Å; I126-F152 HydrophobicContact CG2-CD1 4.43Å; I126-F152 HydrophobicContact CG2-CD2 3.65Å; I126-F152 HydrophobicContact CG2-CE2 4.21Å; I126-F152 HydrophobicContact CG2-CG 3.76Å; I126-S153 CarbonylContact C-O 3.54Å; I126-S153 VanDerWaalsContact CA-O 3.28Å; I126-S153 WeakPolarHBondContact CA-O 3.46Å; I126-F154 HydrophobicContact CD1-CD2 4.43Å; I126-F154 HydrophobicContact CD1-CE2 4.49Å; I126-F154 HydrophobicContact CG1-CD2 3.72Å; I126-F154 HydrophobicContact CG1-CE2 4.15Å; I126-S449 WeakPolarHBondContact O-CB 3.44Å; I126-S449 PolarHBondContact O-OG 3.41Å
127	R	95.2	Very high	95.1	Very high	15 Å²	15	33.2 Å²	33.2	6%	0.057	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.3	-171.9	-56.3	178.1	-173.3	171.6	1.8	111.2	P124 I129 F152 S153 F354 T356 L358 E381	P124-R127 PolarHBondContact O-NE 3.39Å; P124-R127 VanDerWaalsContact O-NE 3.14Å; P124-R127 PolarHBondContact O-NH2 3.16Å; R127-I129 VanDerWaalsContact C-N 3.33Å; R127-I129 PolarHBondContact O-N 3.37Å; R127-F152 WeakPolarHBondContact O-CB 3.33Å; R127-S153 PolarHBondContact N-O 3.18Å; R127-S153 PolarHBondContact O-N 3.38Å; R127-F354 HydrophobicContact CG-CZ 4.44Å; R127-T356 PolarHBondContact NH2-O 3.33Å; R127-L358 VanDerWaalsContact CZ-CG 3.44Å; R127-L358 VanDerWaalsContact NH1-CD2 3.3Å; R127-E381 IonicContact NH1-OE2 2.63Å
128	N	94.3	Very high	93.5	Very high	49 Å²	49	39 Å²	39	26%	0.262	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	45.5	175.8	-63.4	-30.7	0	0	0	113.2	Q130 R151 M158 L447	N128-Q130 PolarHBondContact O-N 2.71Å; N128-R151 PolarHBondContact O-NH1 3.46Å; N128-M158 HydrophobicContact CB-CE 4.24Å; N128-L447 PolarHBondContact N-O 3.36Å; N128-L447 WeakPolarHBondContact OD1-CD2 3.45Å
129	I	97.3	Very high	91.5	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.9	-178.1	-50.6	-168.7	0	0	0	109.2	V104 T105 I126 R127 R151 F152 L447 N448	V104-I129 HydrophobicContact CG1-CD1 3.38Å; T105-I129 HydrophobicContact CG2-CG2 3.71Å; I126-I129 HydrophobicContact CG2-CD1 3.77Å; I126-I129 HydrophobicContact CG2-CG1 4.1Å; R127-I129 VanDerWaalsContact C-N 3.33Å; R127-I129 PolarHBondContact O-N 3.37Å; I129-R151 WeakPolarHBondContact CA-O 3.43Å; I129-F152 HydrophobicContact CG1-CB 4.03Å; I129-L447 PolarHBondContact N-O 2.95Å; I129-L447 VanDerWaalsContact N-O 3.09Å; I129-N448 HydrophobicContact CB-CB 4.14Å; I129-N448 WeakPolarHBondContact CD1-O 3.46Å; I129-N448 PolarHBondContact O-ND2 2.75Å
130	Q	97	Very high	89.6	Confident	50 Å²	50	47 Å²	47	23%	0.234	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.1	169	-63.6	-172.5	-24.3	0	0	110.7	N128 R151 F189 D190	N128-Q130 PolarHBondContact O-N 2.71Å; Q130-R151 HydrophobicContact CB-CG 4.01Å; Q130-R151 PolarHBondContact N-O 3.5Å; Q130-R151 PolarHBondContact O-N 3.14Å; Q130-F189 HydrophobicContact CB-CD1 4.08Å; Q130-D190 PolarHBondContact NE2-O 2.97Å
131	T	97.2	Very high	87.4	Confident	62 Å²	62	54 Å²	54	38%	0.38	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.2	179.1	67.4	0	0	0	0	109.9	T105 V107 S149 V150	T105-T131 HydrophobicContact CG2-CG2 4.43Å; V107-T131 HydrophobicContact CB-CG2 4.08Å; T131-S149 WeakPolarHBondContact CA-O 3.08Å; T131-S149 WeakPolarHBondContact CB-O 3.37Å; T131-V150 HydrophobicContact CG2-CG2 3.89Å
132	T	95.9	Very high	85.4	Confident	31 Å²	31	58 Å²	58	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-179.9	175.3	-169.9	0	0	0	0	109.6	S149 Q187 D188 F189	T132-S149 WeakPolarHBondContact CG2-OG 3.21Å; T132-S149 PolarHBondContact N-O 3.26Å; T132-S149 PolarHBondContact O-N 2.85Å; T132-S149 PolarHBondContact O-OG 2.99Å; T132-Q187 HydrophobicContact CG2-CG 3.41Å; T132-Q187 VanDerWaalsContact CG2-CG 3.41Å; T132-D188 WeakPolarHBondContact CG2-O 3.44Å; T132-D188 PolarHBondContact OG1-O 2.87Å; T132-F189 HydrophobicContact CG2-CD1 3.85Å; T132-F189 HydrophobicContact CG2-CE1 3.49Å; T132-F189 VanDerWaalsContact CG2-CE1 3.49Å; T132-F189 HydrophobicContact CG2-CZ 3.88Å
133	Y	95.4	Very high	83.8	Confident	97 Å²	97	58.7 Å²	58.7	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.5	176.2	64.2	-98.6	0	0	0	111.3	M109 R135 A147	M109-Y133 HydrophobicContact CB-CD2 4.43Å; M109-Y133 HydrophobicContact CB-CG 4.21Å; M109-Y133 HydrophobicContact CG-CD2 4Å; M109-Y133 HydrophobicContact CG-CG 4.28Å; M109-Y133 HydrophobicContact SD-CD2 3.47Å; M109-Y133 WeakPolarHBondContact SD-CD2 3.2Å; M109-Y133 HydrophobicContact SD-CE2 4.26Å; M109-Y133 HydrophobicContact SD-CG 4.06Å; Y133-R135 HydrophobicContact CD2-CG 4.49Å; Y133-R135 VanDerWaalsContact CE2-NH1 3.26Å; Y133-R135 PolarHBondContact OH-NH1 3.02Å; Y133-R135 PolarHBondContact OH-NH2 2.83Å; Y133-A147 CarbonylContact C-O 3.57Å; Y133-A147 VanDerWaalsContact CA-O 3.23Å; Y133-A147 WeakPolarHBondContact CA-O 3.19Å; Y133-A147 VanDerWaalsContact CB-O 3.25Å; Y133-A147 WeakPolarHBondContact CB-O 3.14Å
134	T	94.4	Very high	82.7	Confident	12 Å²	12	61.7 Å²	61.7	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.8	172.7	-66.4	0	0	0	0	110.2	G146 A147 Y182 I183 Q187	T134-G146 CarbonylContact O-C 3.54Å; T134-G146 WeakPolarHBondContact O-CA 3.47Å; T134-A147 PolarHBondContact N-O 2.87Å; T134-A147 PolarHBondContact O-N 3.17Å; T134-Y182 HydrophobicContact CG2-CD1 3.95Å; T134-Y182 HydrophobicContact CG2-CE1 3.52Å; T134-I183 HydrophobicContact CG2-CG1 3.94Å; T134-Q187 VanDerWaalsContact OG1-CB 3.27Å; T134-Q187 WeakPolarHBondContact OG1-CB 3.06Å; T134-Q187 WeakPolarHBondContact OG1-CG 3.39Å
135	R	93	Very high	82.3	Confident	89 Å²	89	62.9 Å²	62.9	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.7	175.8	-71.9	178.8	-174.1	103.1	8.6	110.3	M109 Y133 G140	M109-R135 HydrophobicContact CE-CG 4.37Å; M109-R135 HydrophobicContact CG-CG 4.48Å; M109-R135 HydrophobicContact SD-CB 4.37Å; M109-R135 HydrophobicContact SD-CG 3.31Å; M109-R135 WeakPolarHBondContact SD-CG 3.35Å; Y133-R135 HydrophobicContact CD2-CG 4.49Å; Y133-R135 VanDerWaalsContact CE2-NH1 3.26Å; Y133-R135 PolarHBondContact OH-NH1 3.02Å; Y133-R135 PolarHBondContact OH-NH2 2.83Å; R135-G140 WeakPolarHBondContact CB-O 3.43Å
136	T	87.6	Confident	82.2	Confident	15 Å²	15	61.7 Å²	61.7	9%	0.092	29%	0.291	C	S	.	.			trans	-121.4	11	174.9	63.3	0	0	0	0	113.2	K145 G146 E179 Y182 I183	T136-K145 PolarHBondContact N-O 3.37Å; T136-K145 VanDerWaalsContact OG1-C 3.26Å; T136-G146 VanDerWaalsContact OG1-CA 3.24Å; T136-G146 WeakPolarHBondContact OG1-CA 3.43Å; T136-G146 PolarHBondContact OG1-N 3.24Å; T136-E179 HydrophobicContact CG2-CB 4.29Å; T136-E179 HydrophobicContact CG2-CG 4.21Å; T136-Y182 HydrophobicContact CG2-CD1 3.91Å; T136-Y182 HydrophobicContact CG2-CE1 4.33Å; T136-I183 HydrophobicContact CG2-CD1 3.8Å; T136-I183 HydrophobicContact CG2-CG1 3.73Å
137	G	74	Confident	82.2	Confident	12 Å²	12	61.6 Å²	61.6	12%	0.124	29%	0.291	C	S	.	.	S	Bend	trans	-61.7	-168.7	176.7	0	0	0	0	0	114.2	F139 G140 W142	G137-F139 PolarHBondContact O-N 2.78Å; G137-G140 PolarHBondContact O-N 3.37Å; G137-W142 CarbonylContact C-O 3.54Å; G137-W142 WeakPolarHBondContact CA-O 3.29Å
138	I	65.1	Low	82.3	Confident	123 Å²	123	60.9 Å²	60.9	63%	0.631	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-48.6	118.6	178.4	-52.3	174	0	0	0	110	G140 W142	I138-G140 PolarHBondContact O-N 3.45Å; I138-W142 WeakPolarHBondContact CA-O 3.39Å; I138-W142 WeakPolarHBondContact CB-O 3.37Å; I138-W142 PolarHBondContact N-O 2.82Å; I138-W142 PolarHBondContact O-N 2.93Å
139	F	57.2	Low	82.5	Confident	185 Å²	185	58.6 Å²	58.6	81%	0.811	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	18.4	-176.6	-56.3	-73	0	0	0	116.1	G137 Y141	G137-F139 PolarHBondContact O-N 2.78Å; F139-Y141 WeakPolarHBondContact O-CD2 3.38Å; F139-Y141 WeakPolarHBondContact O-CE2 3.29Å; F139-Y141 PolarHBondContact O-N 3.19Å; F139-Y141 VanDerWaalsContact O-N 3.14Å
140	G	57.5	Low	82.6	Confident	24 Å²	24	58.2 Å²	58.2	25%	0.247	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-8.3	-177.9	0	0	0	0	0	114.9	R135 G137 I138	R135-G140 WeakPolarHBondContact CB-O 3.43Å; G137-G140 PolarHBondContact O-N 3.37Å; I138-G140 PolarHBondContact O-N 3.45Å
141	Y	49.2	Very low	82.6	Confident	195 Å²	195	55.9 Å²	55.9	77%	0.765	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-22.7	-175.8	-60.9	-72.7	0	0	0	114.1	F139	F139-Y141 WeakPolarHBondContact O-CD2 3.38Å; F139-Y141 WeakPolarHBondContact O-CE2 3.29Å; F139-Y141 PolarHBondContact O-N 3.19Å; F139-Y141 VanDerWaalsContact O-N 3.14Å
142	W	54.2	Low	82.6	Confident	208 Å²	208	52.9 Å²	52.9	79%	0.788	25%	0.245	S	C	*	.	B	Isolated β-bridge	trans	-134.2	115.6	-172.8	-99	83.5	0	0	0	112.6	G137 I138	G137-W142 CarbonylContact C-O 3.54Å; G137-W142 WeakPolarHBondContact CA-O 3.29Å; I138-W142 WeakPolarHBondContact CA-O 3.39Å; I138-W142 WeakPolarHBondContact CB-O 3.37Å; I138-W142 PolarHBondContact N-O 2.82Å; I138-W142 PolarHBondContact O-N 2.93Å
143	G	63.3	Low	82.6	Confident	18 Å²	18	51.7 Å²	51.7	19%	0.186	24%	0.238	C	C	.	.	S	Bend	trans	152.7	176.8	169.5	0	0	0	0	0	114	Q110 K145	Q110-G143 VanDerWaalsContact CD-O 3.22Å; Q110-G143 PolarHBondContact NE2-O 2.6Å; Q110-G143 VanDerWaalsContact NE2-O 3.09Å; Q110-G143 VanDerWaalsContact OE1-C 3.27Å; Q110-G143 PolarHBondContact OE1-O 2.86Å; Q110-G143 VanDerWaalsContact OE1-O 3.07Å; G143-K145 VanDerWaalsContact C-N 3.35Å
144	N	74.9	Confident	82.7	Confident	74 Å²	74	47.1 Å²	47.1	40%	0.396	22%	0.22	S	C	.	.	S	Bend	trans	-97.9	27	-177	69.8	-18.7	0	0	0	113.2	Q110	Q110-N144 VanDerWaalsContact OE1-CA 3.23Å
145	K	90.5	Very high	82.8	Confident	28 Å²	28	47 Å²	47	12%	0.122	22%	0.218	C	C	.	.			trans	-123.1	147.3	-175.9	-63	-69.6	177.5	-80.8	0	110.1	T136 G143 H165 L166	T136-K145 PolarHBondContact N-O 3.37Å; T136-K145 VanDerWaalsContact OG1-C 3.26Å; G143-K145 VanDerWaalsContact C-N 3.35Å; K145-H165 VanDerWaalsContact CA-O 3.3Å; K145-H165 WeakPolarHBondContact CA-O 3.34Å; K145-H165 WeakPolarHBondContact CB-O 3.42Å; K145-H165 HydrophobicContact CD-CB 4.39Å; K145-H165 WeakPolarHBondContact CD-O 3.36Å; K145-H165 VanDerWaalsContact CE-CD2 3.43Å; K145-H165 WeakPolarHBondContact CE-CD2 3.5Å; K145-H165 VanDerWaalsContact CE-NE2 3.25Å; K145-H165 WeakPolarHBondContact CE-NE2 3.28Å; K145-H165 PolarHBondContact NZ-CE1 2.72Å; K145-H165 PolarHBondContact NZ-NE2 3.18Å; K145-L166 WeakPolarHBondContact CD-O 3.09Å; K145-L166 WeakPolarHBondContact CE-O 3.45Å
146	G	95.1	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.2	-151.2	-178.5	0	0	0	0	0	111.4	L112 T134 T136 C164 H165	L112-G146 WeakPolarHBondContact CD1-O 3.48Å; T134-G146 CarbonylContact O-C 3.54Å; T134-G146 WeakPolarHBondContact O-CA 3.47Å; T136-G146 VanDerWaalsContact OG1-CA 3.24Å; T136-G146 WeakPolarHBondContact OG1-CA 3.43Å; T136-G146 PolarHBondContact OG1-N 3.24Å; G146-C164 CarbonylContact O-C 3.55Å; G146-C164 VanDerWaalsContact O-CA 3.25Å; G146-C164 WeakPolarHBondContact O-CA 3.46Å; G146-C164 WeakPolarHBondContact O-CB 3.49Å; G146-H165 PolarHBondContact N-O 3.37Å; G146-H165 PolarHBondContact O-N 3.41Å
147	A	97.5	Very high	83.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154	177.4	0	0	0	0	0	111.6	Y133 T134 N163 C164 I183	Y133-A147 CarbonylContact C-O 3.57Å; Y133-A147 VanDerWaalsContact CA-O 3.23Å; Y133-A147 WeakPolarHBondContact CA-O 3.19Å; Y133-A147 VanDerWaalsContact CB-O 3.25Å; Y133-A147 WeakPolarHBondContact CB-O 3.14Å; T134-A147 PolarHBondContact N-O 2.87Å; T134-A147 PolarHBondContact O-N 3.17Å; A147-N163 CarbonylContact C-O 3.54Å; A147-N163 VanDerWaalsContact CA-O 3.3Å; A147-N163 WeakPolarHBondContact CA-O 3.41Å; A147-C164 HydrophobicContact CB-CB 3.88Å; A147-I183 HydrophobicContact CB-CD1 3.93Å; A147-I183 HydrophobicContact CB-CG1 4.44Å; A147-I183 HydrophobicContact CB-CG2 3.75Å
148	V	97.9	Very high	84.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.3	163.8	-60.8	0	0	0	0	108.2	V107 M109 L112 L114 L162 N163	V107-V148 HydrophobicContact CG1-CB 3.74Å; V107-V148 HydrophobicContact CG1-CG2 3.91Å; V107-V148 HydrophobicContact CG2-CB 4.15Å; V107-V148 HydrophobicContact CG2-CG1 4.45Å; M109-V148 HydrophobicContact CB-CG1 3.37Å; L112-V148 HydrophobicContact CB-CG1 3.94Å; L112-V148 HydrophobicContact CB-CG2 4.35Å; L114-V148 HydrophobicContact CB-CG2 3.62Å; L114-V148 HydrophobicContact CD2-CG2 4.47Å; V148-L162 WeakPolarHBondContact O-CA 3.3Å; V148-N163 HydrophobicContact CG2-CB 3.97Å; V148-N163 PolarHBondContact N-O 2.93Å; V148-N163 PolarHBondContact O-N 2.86Å
149	S	98.4	Very high	85.6	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.4	179.6	60.4	0	0	0	0	114.1	T131 T132 F161 Q187 F189	T131-S149 WeakPolarHBondContact CA-O 3.08Å; T131-S149 WeakPolarHBondContact CB-O 3.37Å; T132-S149 WeakPolarHBondContact CG2-OG 3.21Å; T132-S149 PolarHBondContact N-O 3.26Å; T132-S149 PolarHBondContact O-N 2.85Å; T132-S149 PolarHBondContact O-OG 2.99Å; S149-F161 CarbonylContact C-O 3.59Å; S149-F161 WeakPolarHBondContact CA-O 3.43Å; S149-F161 WeakPolarHBondContact CB-O 3.31Å; S149-Q187 PolarHBondContact OG-NE2 2.97Å; S149-F189 WeakPolarHBondContact OG-CZ 3.48Å
150	V	98.6	Very high	87.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.9	169.6	171.4	0	0	0	0	107.1	T105 V107 L114 V116 T131 F152 F161	T105-V150 HydrophobicContact CG2-CB 4.31Å; T105-V150 HydrophobicContact CG2-CG1 3.39Å; T105-V150 HydrophobicContact CG2-CG2 3.88Å; V107-V150 HydrophobicContact CG1-CG2 3.75Å; L114-V150 HydrophobicContact CD2-CB 4.02Å; L114-V150 HydrophobicContact CD2-CG2 3.71Å; L114-V150 HydrophobicContact CG-CG2 3.9Å; V116-V150 HydrophobicContact CG2-CB 4.12Å; V116-V150 HydrophobicContact CG2-CG1 3.85Å; V116-V150 HydrophobicContact CG2-CG2 4.18Å; T131-V150 HydrophobicContact CG2-CG2 3.89Å; V150-F152 HydrophobicContact CG1-CD1 3.79Å; V150-F152 HydrophobicContact CG1-CE1 4.05Å; V150-F161 PolarHBondContact N-O 3Å; V150-F161 PolarHBondContact O-N 3.03Å
151	R	97.7	Very high	89.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	172.4	69.8	80.3	52.6	163.4	13.3	110.9	N128 I129 Q130 M159 C160 F189 T194 H200	N128-R151 PolarHBondContact O-NH1 3.46Å; I129-R151 WeakPolarHBondContact CA-O 3.43Å; Q130-R151 HydrophobicContact CB-CG 4.01Å; Q130-R151 PolarHBondContact N-O 3.5Å; Q130-R151 PolarHBondContact O-N 3.14Å; R151-M159 VanDerWaalsContact CA-O 3.26Å; R151-M159 WeakPolarHBondContact CA-O 3.49Å; R151-C160 HydrophobicContact CB-CB 4.35Å; R151-F189 HydrophobicContact CB-CD1 4.48Å; R151-F189 HydrophobicContact CB-CE1 3.89Å; R151-F189 HydrophobicContact CB-CE2 4.32Å; R151-F189 HydrophobicContact CB-CZ 3.8Å; R151-F189 HydrophobicContact CG-CD1 3.38Å; R151-F189 HydrophobicContact CG-CD2 4.19Å; R151-F189 HydrophobicContact CG-CE1 3.22Å; R151-F189 HydrophobicContact CG-CE2 4.07Å; R151-F189 HydrophobicContact CG-CG 3.87Å; R151-F189 HydrophobicContact CG-CZ 3.59Å; R151-T194 PolarHBondContact NH2-OG1 2.97Å; R151-H200 WeakPolarHBondContact CB-NE2 3.35Å; R151-H200 PolarHBondContact NE-NE2 3.02Å; R151-H200 PolarHBondContact NH2-NE2 3.3Å
152	F	97.9	Very high	91.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.1	175.9	53.7	-96.5	0	0	0	111.2	V116 I126 R127 I129 V150 F154 M159 F161	V116-F152 HydrophobicContact CG1-CE1 3.92Å; V116-F152 HydrophobicContact CG1-CZ 4.21Å; V116-F152 HydrophobicContact CG2-CE1 4.48Å; I126-F152 HydrophobicContact CG2-CB 3.93Å; I126-F152 HydrophobicContact CG2-CD1 4.43Å; I126-F152 HydrophobicContact CG2-CD2 3.65Å; I126-F152 HydrophobicContact CG2-CE2 4.21Å; I126-F152 HydrophobicContact CG2-CG 3.76Å; R127-F152 WeakPolarHBondContact O-CB 3.33Å; I129-F152 HydrophobicContact CG1-CB 4.03Å; V150-F152 HydrophobicContact CG1-CD1 3.79Å; V150-F152 HydrophobicContact CG1-CE1 4.05Å; F152-F154 HydrophobicContact CD2-CB 4.08Å; F152-F154 HydrophobicContact CE2-CB 3.9Å; F152-F154 HydrophobicContact CE2-CD2 4.48Å; F152-F154 HydrophobicContact CE2-CG 4.44Å; F152-M159 PolarHBondContact N-O 3.38Å; F152-M159 VanDerWaalsContact N-O 3.11Å; F152-M159 PolarHBondContact O-N 2.72Å; F152-F161 AromaticContact CE1-CD2 3.85Å; F152-F161 HydrophobicContact CE1-CD2 3.85Å; F152-F161 AromaticContact CE1-CE2 3.54Å; F152-F161 HydrophobicContact CE1-CE2 3.54Å; F152-F161 HydrophobicContact CE2-CE2 4.28Å; F152-F161 HydrophobicContact CZ-CD2 4.2Å; F152-F161 AromaticContact CZ-CE2 3.42Å; F152-F161 HydrophobicContact CZ-CE2 3.42Å; F152-F161 VanDerWaalsContact CZ-CE2 3.42Å; F152-F161 HydrophobicContact CZ-CZ 4.17Å
153	S	96.1	Very high	94	Very high	6 Å²	6	7.9 Å²	7.9	4%	0.042	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.4	164.2	-168.8	0	0	0	0	109.1	I126 R127 G156 M158	I126-S153 CarbonylContact C-O 3.54Å; I126-S153 VanDerWaalsContact CA-O 3.28Å; I126-S153 WeakPolarHBondContact CA-O 3.46Å; R127-S153 PolarHBondContact N-O 3.18Å; R127-S153 PolarHBondContact O-N 3.38Å; S153-G156 WeakPolarHBondContact OG-CA 3.46Å; S153-G156 PolarHBondContact OG-N 3.42Å; S153-M158 WeakPolarHBondContact CA-SD 3.15Å; S153-M158 WeakPolarHBondContact CB-SD 3.22Å; S153-M158 PolarHBondContact OG-SD 3.47Å
154	F	97.4	Very high	95.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.9	170.2	-173.4	-120.6	0	0	0	109.2	F31 L63 H122 I126 F152 G156 H157 M159 L350	F31-F154 HydrophobicContact CB-CE1 4.06Å; F31-F154 HydrophobicContact CB-CZ 4.44Å; F31-F154 AromaticContact CD1-CE1 3.93Å; F31-F154 HydrophobicContact CD1-CE1 3.93Å; F31-F154 AromaticContact CD1-CZ 3.75Å; F31-F154 HydrophobicContact CD1-CZ 3.75Å; F31-F154 AromaticContact CD2-CE1 3.81Å; F31-F154 HydrophobicContact CD2-CE1 3.81Å; F31-F154 HydrophobicContact CD2-CZ 4.45Å; F31-F154 HydrophobicContact CE1-CE1 4.25Å; F31-F154 AromaticContact CE1-CZ 3.98Å; F31-F154 HydrophobicContact CE1-CZ 3.98Å; F31-F154 HydrophobicContact CE2-CE1 4.15Å; F31-F154 AromaticContact CG-CE1 3.66Å; F31-F154 HydrophobicContact CG-CE1 3.66Å; F31-F154 AromaticContact CG-CZ 3.97Å; F31-F154 HydrophobicContact CG-CZ 3.97Å; F31-F154 HydrophobicContact CZ-CE1 4.32Å; F31-F154 HydrophobicContact CZ-CZ 4.41Å; L63-F154 HydrophobicContact CD1-CD1 4.46Å; L63-F154 HydrophobicContact CD1-CD2 4.47Å; L63-F154 HydrophobicContact CD1-CE1 4.18Å; L63-F154 HydrophobicContact CD1-CE2 4.18Å; L63-F154 HydrophobicContact CD1-CZ 4.03Å; L63-F154 HydrophobicContact CD2-CE2 4.18Å; L63-F154 HydrophobicContact CG-CZ 4.41Å; H122-F154 HydrophobicContact CB-CE2 4.13Å; I126-F154 HydrophobicContact CD1-CD2 4.43Å; I126-F154 HydrophobicContact CD1-CE2 4.49Å; I126-F154 HydrophobicContact CG1-CD2 3.72Å; I126-F154 HydrophobicContact CG1-CE2 4.15Å; F152-F154 HydrophobicContact CD2-CB 4.08Å; F152-F154 HydrophobicContact CE2-CB 3.9Å; F152-F154 HydrophobicContact CE2-CD2 4.48Å; F152-F154 HydrophobicContact CE2-CG 4.44Å; F154-G156 PolarHBondContact O-N 2.84Å; F154-G156 VanDerWaalsContact O-N 3.09Å; F154-H157 PolarHBondContact N-O 2.83Å; F154-H157 PolarHBondContact O-N 2.87Å; F154-M159 HydrophobicContact CB-CE 4Å; F154-M159 HydrophobicContact CB-SD 3.98Å; F154-M159 HydrophobicContact CD1-CE 3.83Å; F154-M159 HydrophobicContact CD1-SD 4.37Å; F154-M159 HydrophobicContact CG-CE 4.38Å; F154-L350 HydrophobicContact CD1-CD2 3.94Å; F154-L350 HydrophobicContact CE1-CD2 4.3Å
155	Y	96	Very high	96.8	Very high	9 Å²	9	3.7 Å²	3.7	4%	0.035	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	31.7	-174.4	-67.3	-79.2	0	0	0	113.5	F31 H122 F125 K352 Y353 F354	F31-Y155 HydrophobicContact CD1-CE2 4.37Å; F31-Y155 HydrophobicContact CE1-CD2 4.06Å; F31-Y155 AromaticContact CE1-CE2 3.41Å; F31-Y155 HydrophobicContact CE1-CE2 3.41Å; F31-Y155 VanDerWaalsContact CE1-CE2 3.41Å; F31-Y155 HydrophobicContact CE2-CD2 4.11Å; F31-Y155 HydrophobicContact CE2-CE2 4.29Å; F31-Y155 AromaticContact CZ-CD2 3.56Å; F31-Y155 HydrophobicContact CZ-CD2 3.56Å; F31-Y155 AromaticContact CZ-CE2 3.34Å; F31-Y155 HydrophobicContact CZ-CE2 3.34Å; F31-Y155 HydrophobicContact CZ-CG 4.34Å; F31-Y155 AromaticContact CZ-CZ 3.97Å; H122-Y155 AromaticContact ND1-CE2 3.79Å; H122-Y155 AromaticContact ND1-CZ 3.8Å; H122-Y155 PolarHBondContact ND1-OH 3.49Å; F125-Y155 HydrophobicContact CB-CD1 3.65Å; F125-Y155 HydrophobicContact CB-CD2 4.35Å; F125-Y155 HydrophobicContact CB-CE1 3.45Å; F125-Y155 VanDerWaalsContact CB-CE1 3.45Å; F125-Y155 HydrophobicContact CB-CE2 4.17Å; F125-Y155 HydrophobicContact CB-CG 4.1Å; F125-Y155 HydrophobicContact CD1-CD1 4.18Å; F125-Y155 AromaticContact CD1-CE1 3.84Å; F125-Y155 HydrophobicContact CD1-CE1 3.84Å; F125-Y155 HydrophobicContact CD2-CD1 4.44Å; F125-Y155 AromaticContact CD2-CE1 3.46Å; F125-Y155 HydrophobicContact CD2-CE1 3.46Å; F125-Y155 VanDerWaalsContact CD2-CE1 3.46Å; F125-Y155 AromaticContact CD2-CZ 3.59Å; F125-Y155 VanDerWaalsContact CD2-OH 3.31Å; F125-Y155 WeakPolarHBondContact CD2-OH 3.45Å; F125-Y155 HydrophobicContact CE1-CE1 4.44Å; F125-Y155 HydrophobicContact CE2-CE1 4.12Å; F125-Y155 AromaticContact CG-CD1 3.83Å; F125-Y155 HydrophobicContact CG-CD1 3.83Å; F125-Y155 AromaticContact CG-CE1 3.27Å; F125-Y155 HydrophobicContact CG-CE1 3.27Å; F125-Y155 AromaticContact CG-CZ 3.76Å; F125-Y155 PolarHBondContact O-N 3.47Å; Y155-K352 HydrophobicContact CD1-CB 4.04Å; Y155-K352 HydrophobicContact CD1-CD 3.56Å; Y155-K352 HydrophobicContact CD1-CG 3.51Å; Y155-K352 HydrophobicContact CE1-CD 3.7Å; Y155-K352 HydrophobicContact CE1-CG 4.15Å; Y155-K352 HydrophobicContact CG-CB 4.38Å; Y155-K352 HydrophobicContact CG-CD 4.23Å; Y155-K352 HydrophobicContact CG-CG 3.74Å; Y155-Y353 PolarHBondContact O-N 3.14Å; Y155-F354 VanDerWaalsContact CA-CE2 3.49Å; Y155-F354 WeakPolarHBondContact CD1-O 3.28Å
156	G	92.8	Very high	97.1	Very high	11 Å²	11	2.4 Å²	2.4	11%	0.113	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-14.3	-179.8	0	0	0	0	0	114.9	S153 F154	S153-G156 WeakPolarHBondContact OG-CA 3.46Å; S153-G156 PolarHBondContact OG-N 3.42Å; F154-G156 PolarHBondContact O-N 2.84Å; F154-G156 VanDerWaalsContact O-N 3.09Å
157	H	93.7	Very high	97.1	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.005	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.9	179.3	-61.3	-100.8	0	0	0	110.4	F154 M159 K201 I321 R351 Y353	F154-H157 PolarHBondContact N-O 2.83Å; F154-H157 PolarHBondContact O-N 2.87Å; H157-M159 HydrophobicContact CB-CE 4.29Å; H157-M159 PolarHBondContact O-N 3.06Å; H157-K201 HydrophobicContact CB-CD 4.33Å; H157-K201 PolarHBondContact CE1-NZ 2.83Å; H157-K201 VanDerWaalsContact ND1-CD 3.33Å; H157-K201 WeakPolarHBondContact ND1-CD 3.47Å; H157-K201 WeakPolarHBondContact ND1-CE 3.36Å; H157-K201 PolarHBondContact ND1-NZ 2.85Å; H157-I321 HydrophobicContact CB-CD1 4.46Å; H157-R351 PolarHBondContact NE2-O 2.9Å; H157-Y353 AromaticContact CD2-CD2 3.87Å; H157-Y353 AromaticContact CD2-CE2 3.8Å; H157-Y353 AromaticContact CE1-CE2 3.45Å; H157-Y353 VanDerWaalsContact CE1-CE2 3.45Å; H157-Y353 WeakPolarHBondContact CE1-CE2 3.18Å; H157-Y353 AromaticContact ND1-CE2 3.93Å; H157-Y353 AromaticContact NE2-CD2 3.64Å; H157-Y353 AromaticContact NE2-CE2 3.32Å; H157-Y353 VanDerWaalsContact NE2-CE2 3.32Å; H157-Y353 WeakPolarHBondContact NE2-CE2 3.48Å
158	M	95.1	Very high	96.9	Very high	19 Å²	19	4 Å²	4	9%	0.094	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119	177.5	-55.4	-42.2	-69.7	0	0	111	N128 S153 T194 K201 V202	N128-M158 HydrophobicContact CB-CE 4.24Å; S153-M158 WeakPolarHBondContact CA-SD 3.15Å; S153-M158 WeakPolarHBondContact CB-SD 3.22Å; S153-M158 PolarHBondContact OG-SD 3.47Å; M158-T194 HydrophobicContact CB-CG2 4.39Å; M158-T194 HydrophobicContact CG-CG2 4.18Å; M158-K201 WeakPolarHBondContact O-CB 3.17Å; M158-K201 PolarHBondContact O-N 3.07Å; M158-V202 PolarHBondContact O-N 3.24Å
159	M	97.4	Very high	96.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.4	179.4	-59.1	-176.8	-179.6	0	0	110.4	R151 F152 F154 H157 F161 V202 I321 L348 L350	R151-M159 VanDerWaalsContact CA-O 3.26Å; R151-M159 WeakPolarHBondContact CA-O 3.49Å; F152-M159 PolarHBondContact N-O 3.38Å; F152-M159 VanDerWaalsContact N-O 3.11Å; F152-M159 PolarHBondContact O-N 2.72Å; F154-M159 HydrophobicContact CB-CE 4Å; F154-M159 HydrophobicContact CB-SD 3.98Å; F154-M159 HydrophobicContact CD1-CE 3.83Å; F154-M159 HydrophobicContact CD1-SD 4.37Å; F154-M159 HydrophobicContact CG-CE 4.38Å; H157-M159 HydrophobicContact CB-CE 4.29Å; H157-M159 PolarHBondContact O-N 3.06Å; M159-F161 HydrophobicContact CB-CE2 3.86Å; M159-F161 HydrophobicContact CB-CZ 4.28Å; M159-F161 HydrophobicContact SD-CZ 4.37Å; M159-V202 CarbonylContact C-O 3.55Å; M159-V202 WeakPolarHBondContact CA-O 3.48Å; M159-V202 HydrophobicContact CG-CB 4.48Å; M159-I321 HydrophobicContact CE-CD1 3.54Å; M159-L348 HydrophobicContact CE-CD1 3.92Å; M159-L348 HydrophobicContact SD-CD1 4.11Å; M159-L350 HydrophobicContact CE-CD2 3.85Å
160	C	98.5	Very high	96.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.8	174.6	-171.7	0	0	0	0	110.6	R151 L162 H200 V202 V203 F204	R151-C160 HydrophobicContact CB-CB 4.35Å; C160-L162 HydrophobicContact CB-CD1 4.48Å; C160-H200 HydrophobicContact CB-CB 3.96Å; C160-V202 PolarHBondContact N-O 3.47Å; C160-V203 HydrophobicContact CB-CG2 4.42Å; C160-V203 CarbonylContact O-C 3.59Å; C160-V203 WeakPolarHBondContact O-CA 3.34Å; C160-F204 PolarHBondContact O-N 3.02Å
161	F	98.9	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.5	179.2	-60.5	-88.6	0	0	0	108.7	L33 M35 V65 L114 S149 V150 F152 M159 F204 F206	L33-F161 HydrophobicContact CD1-CE1 4.33Å; L33-F161 HydrophobicContact CD2-CE1 3.87Å; L33-F161 HydrophobicContact CD2-CZ 4.42Å; M35-F161 HydrophobicContact CE-CD1 4.1Å; V65-F161 HydrophobicContact CB-CD1 4.3Å; V65-F161 HydrophobicContact CG1-CB 4.2Å; V65-F161 HydrophobicContact CG1-CD1 3.82Å; V65-F161 HydrophobicContact CG1-CG 4.13Å; V65-F161 HydrophobicContact CG2-CD1 3.91Å; V65-F161 HydrophobicContact CG2-CE1 3.82Å; V65-F161 HydrophobicContact CG2-CG 4.37Å; V65-F161 HydrophobicContact CG2-CZ 4.22Å; L114-F161 HydrophobicContact CD2-CB 4.32Å; L114-F161 WeakPolarHBondContact CD2-O 3.5Å; S149-F161 CarbonylContact C-O 3.59Å; S149-F161 WeakPolarHBondContact CA-O 3.43Å; S149-F161 WeakPolarHBondContact CB-O 3.31Å; V150-F161 PolarHBondContact N-O 3Å; V150-F161 PolarHBondContact O-N 3.03Å; F152-F161 AromaticContact CE1-CD2 3.85Å; F152-F161 HydrophobicContact CE1-CD2 3.85Å; F152-F161 AromaticContact CE1-CE2 3.54Å; F152-F161 HydrophobicContact CE1-CE2 3.54Å; F152-F161 HydrophobicContact CE2-CE2 4.28Å; F152-F161 HydrophobicContact CZ-CD2 4.2Å; F152-F161 AromaticContact CZ-CE2 3.42Å; F152-F161 HydrophobicContact CZ-CE2 3.42Å; F152-F161 VanDerWaalsContact CZ-CE2 3.42Å; F152-F161 HydrophobicContact CZ-CZ 4.17Å; M159-F161 HydrophobicContact CB-CE2 3.86Å; M159-F161 HydrophobicContact CB-CZ 4.28Å; M159-F161 HydrophobicContact SD-CZ 4.37Å; F161-F204 WeakPolarHBondContact CA-O 3.46Å; F161-F204 HydrophobicContact CD1-CB 3.75Å; F161-F204 AromaticContact CD1-CD2 3.69Å; F161-F204 HydrophobicContact CD1-CD2 3.69Å; F161-F204 AromaticContact CD1-CG 3.99Å; F161-F204 HydrophobicContact CD1-CG 3.99Å; F161-F204 HydrophobicContact CE1-CB 4.2Å; F161-F204 AromaticContact CE1-CD2 3.26Å; F161-F204 HydrophobicContact CE1-CD2 3.26Å; F161-F204 AromaticContact CE1-CE2 3.82Å; F161-F204 HydrophobicContact CE1-CE2 3.82Å; F161-F204 AromaticContact CE1-CG 3.9Å; F161-F204 HydrophobicContact CE1-CG 3.9Å; F161-F204 AromaticContact CZ-CD2 3.95Å; F161-F204 HydrophobicContact CZ-CD2 3.95Å; F161-F204 HydrophobicContact CZ-CE2 4.25Å; F161-F206 HydrophobicContact CB-CE1 4.16Å
162	L	98.6	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.9	-179.8	-61.7	96.5	0	0	0	110.6	V148 C160 I183 V197 V203 F204 W205 F206	V148-L162 WeakPolarHBondContact O-CA 3.3Å; C160-L162 HydrophobicContact CB-CD1 4.48Å; L162-I183 HydrophobicContact CD2-CG2 4.28Å; L162-V197 HydrophobicContact CD1-CG1 3.76Å; L162-V197 HydrophobicContact CD2-CG1 4.1Å; L162-V197 HydrophobicContact CD2-CG2 3.94Å; L162-V203 HydrophobicContact CD1-CG1 3.44Å; L162-V203 VanDerWaalsContact CD1-CG1 3.44Å; L162-F204 PolarHBondContact N-O 3.43Å; L162-W205 HydrophobicContact CB-CD2 4.25Å; L162-W205 HydrophobicContact CB-CE3 3.98Å; L162-W205 HydrophobicContact CD1-CE3 4.07Å; L162-W205 HydrophobicContact CD2-CE3 3.71Å; L162-W205 HydrophobicContact CD2-CH2 4.46Å; L162-W205 HydrophobicContact CD2-CZ3 3.58Å; L162-W205 HydrophobicContact CG-CE3 4.14Å; L162-W205 HydrophobicContact CG-CZ3 4.48Å; L162-F206 WeakPolarHBondContact O-CD1 3.35Å; L162-F206 VanDerWaalsContact O-CE1 3.29Å; L162-F206 WeakPolarHBondContact O-CE1 3.48Å; L162-F206 PolarHBondContact O-N 2.73Å
163	N	98.8	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.3	169.3	174	27	0	0	0	109.5	G67 L68 Q69 L113 L114 A147 V148 F206	G67-N163 WeakPolarHBondContact CA-ND2 3.25Å; L68-N163 PolarHBondContact N-ND2 2.96Å; L68-N163 PolarHBondContact O-ND2 3.25Å; Q69-N163 PolarHBondContact NE2-OD1 3.25Å; L113-N163 PolarHBondContact O-ND2 3.25Å; L114-N163 HydrophobicContact CB-CB 4.1Å; L114-N163 HydrophobicContact CD1-CB 4.34Å; L114-N163 HydrophobicContact CD2-CB 4.41Å; A147-N163 CarbonylContact C-O 3.54Å; A147-N163 VanDerWaalsContact CA-O 3.3Å; A147-N163 WeakPolarHBondContact CA-O 3.41Å; V148-N163 HydrophobicContact CG2-CB 3.97Å; V148-N163 PolarHBondContact N-O 2.93Å; V148-N163 PolarHBondContact O-N 2.86Å; N163-F206 CarbonylContact C-O 3.59Å; N163-F206 VanDerWaalsContact CA-O 3.25Å; N163-F206 WeakPolarHBondContact CA-O 3.27Å; N163-F206 HydrophobicContact CB-CE2 4.21Å; N163-F206 HydrophobicContact CB-CZ 4.2Å
164	C	98.4	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.9	-177.9	79.2	0	0	0	0	114.8	Q69 G146 A147 L166 W205 F206 G207 D208	Q69-C164 WeakPolarHBondContact CG-O 3.49Å; G146-C164 CarbonylContact O-C 3.55Å; G146-C164 VanDerWaalsContact O-CA 3.25Å; G146-C164 WeakPolarHBondContact O-CA 3.46Å; G146-C164 WeakPolarHBondContact O-CB 3.49Å; A147-C164 HydrophobicContact CB-CB 3.88Å; C164-L166 HydrophobicContact CB-CD2 4.06Å; C164-L166 HydrophobicContact CB-CG 4.49Å; C164-W205 HydrophobicContact CB-CZ2 4.43Å; C164-W205 PolarHBondContact SG-NE1 3.14Å; C164-W205 VanDerWaalsContact SG-NE1 3.42Å; C164-F206 PolarHBondContact N-O 2.95Å; C164-G207 VanDerWaalsContact O-CA 3.31Å; C164-G207 WeakPolarHBondContact O-CA 3.36Å; C164-D208 PolarHBondContact O-N 2.91Å
165	H	97.9	Very high	95.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	102.8	167.2	-174.4	172.3	0	0	0	107.4	Q69 E70 L112 K145 G146 D208 N210	Q69-H165 HydrophobicContact CB-CB 4.23Å; Q69-H165 HydrophobicContact CG-CB 3.98Å; E70-H165 IonicContact OE1-CE1 3.15Å; E70-H165 PolarHBondContact OE1-CE1 3.47Å; E70-H165 IonicContact OE1-NE2 3.63Å; L112-H165 HydrophobicContact CD1-CB 4.14Å; L112-H165 HydrophobicContact CD2-CB 3.87Å; L112-H165 HydrophobicContact CG-CB 4.13Å; K145-H165 VanDerWaalsContact CA-O 3.3Å; K145-H165 WeakPolarHBondContact CA-O 3.34Å; K145-H165 WeakPolarHBondContact CB-O 3.42Å; K145-H165 HydrophobicContact CD-CB 4.39Å; K145-H165 WeakPolarHBondContact CD-O 3.36Å; K145-H165 VanDerWaalsContact CE-CD2 3.43Å; K145-H165 WeakPolarHBondContact CE-CD2 3.5Å; K145-H165 VanDerWaalsContact CE-NE2 3.25Å; K145-H165 WeakPolarHBondContact CE-NE2 3.28Å; K145-H165 PolarHBondContact NZ-CE1 2.72Å; K145-H165 PolarHBondContact NZ-NE2 3.18Å; G146-H165 PolarHBondContact N-O 3.37Å; G146-H165 PolarHBondContact O-N 3.41Å; H165-D208 WeakPolarHBondContact CA-O 3.3Å; H165-D208 IonicContact CD2-OD2 3.58Å; H165-D208 IonicContact NE2-OD2 2.71Å; H165-N210 PolarHBondContact CD2-ND2 2.63Å; H165-N210 PolarHBondContact NE2-ND2 2.73Å
166	L	96.9	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-93.4	170.7	-173.9	-53	-175.9	0	0	0	112.6	K145 C164 A168 R176 E179 I183 D208 L209 N210	K145-L166 WeakPolarHBondContact CD-O 3.09Å; K145-L166 WeakPolarHBondContact CE-O 3.45Å; C164-L166 HydrophobicContact CB-CD2 4.06Å; C164-L166 HydrophobicContact CB-CG 4.49Å; L166-A168 PolarHBondContact O-N 3.14Å; L166-R176 HydrophobicContact CB-CB 4.49Å; L166-R176 HydrophobicContact CB-CG 3.91Å; L166-R176 HydrophobicContact CD1-CB 4.28Å; L166-E179 WeakPolarHBondContact CA-OE2 3.45Å; L166-E179 HydrophobicContact CD2-CB 4.23Å; L166-I183 HydrophobicContact CD2-CD1 4.03Å; L166-D208 PolarHBondContact N-O 2.8Å; L166-L209 HydrophobicContact CD1-CB 4.27Å; L166-L209 HydrophobicContact CD1-CG 4.24Å; L166-N210 PolarHBondContact O-ND2 2.95Å; L166-N210 VanDerWaalsContact O-ND2 3.15Å
167	A	95.4	Very high	96.3	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-48.6	122.7	-179.7	0	0	0	0	0	113.3	N172 Q175 R176 E179 N210	A167-N172 HydrophobicContact CB-CB 4.18Å; A167-Q175 HydrophobicContact CB-CG 3.95Å; A167-R176 HydrophobicContact CB-CG 4.07Å; A167-R176 WeakPolarHBondContact O-CD 3.28Å; A167-R176 WeakPolarHBondContact O-CG 3.14Å; A167-R176 PolarHBondContact O-NH1 2.85Å; A167-E179 WeakPolarHBondContact CB-OE1 3.45Å; A167-E179 PolarHBondContact N-OE2 3.48Å; A167-N210 WeakPolarHBondContact O-CB 3.2Å
168	A	93	Very high	96.4	Very high	27 Å²	27	32.3 Å²	32.3	22%	0.223	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.2	171.5	176.9	0	0	0	0	0	112	L166 N172	L166-A168 PolarHBondContact O-N 3.14Å; A168-N172 PolarHBondContact O-ND2 3.49Å
169	H	91.9	Very high	96.4	Very high	83 Å²	83	32 Å²	32	38%	0.384	16%	0.164	S	C	.	.	S	Bend	trans	82.4	154.4	176.4	-52.7	-89.5	0	0	0	116.2	H171 R176 R279	H169-H171 PolarHBondContact O-N 2.9Å; H169-R176 PolarHBondContact O-NH1 3.01Å; H169-R279 PolarHBondContact CE1-NH2 2.86Å
170	M	92.3	Very high	96.4	Very high	61 Å²	61	32 Å²	32	30%	0.3	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-39.5	-172.5	-176.6	65.3	62.5	0	0	113.6	N172 R212 I213 Q238	M170-N172 VanDerWaalsContact C-N 3.33Å; M170-N172 PolarHBondContact O-N 3.19Å; M170-R212 HydrophobicContact CE-CB 3.52Å; M170-R212 HydrophobicContact CE-CG 4.13Å; M170-R212 HydrophobicContact SD-CB 3.49Å; M170-R212 WeakPolarHBondContact SD-CB 3.4Å; M170-R212 HydrophobicContact SD-CG 4.18Å; M170-I213 WeakPolarHBondContact CE-O 3.48Å; M170-Q238 PolarHBondContact O-NE2 3.06Å
171	H	94.1	Very high	96.3	Very high	150 Å²	150	35.9 Å²	35.9	69%	0.694	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.9	-172.1	55.8	-86.4	0	0	0	114	H169 A173	H169-H171 PolarHBondContact O-N 2.9Å; H171-A173 VanDerWaalsContact C-N 3.3Å; H171-A173 PolarHBondContact O-N 3.25Å
172	N	95.4	Very high	96.1	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.16	20%	0.202	C	C	.	.			trans	-93.5	30.2	-173.3	-68.1	-19.4	0	0	0	113.1	A167 A168 M170 Q175 R176	A167-N172 HydrophobicContact CB-CB 4.18Å; A168-N172 PolarHBondContact O-ND2 3.49Å; M170-N172 VanDerWaalsContact C-N 3.33Å; M170-N172 PolarHBondContact O-N 3.19Å; N172-Q175 HydrophobicContact CB-CB 4.17Å; N172-Q175 PolarHBondContact O-N 3.34Å; N172-R176 WeakPolarHBondContact O-CG 3.42Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 PolarHBondContact O-NH1 2.92Å
173	A	96.9	Very high	96	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-42.8	-177.8	0	0	0	0	0	112.7	H171 R176 V177 Q238 M242	H171-A173 VanDerWaalsContact C-N 3.3Å; H171-A173 PolarHBondContact O-N 3.25Å; A173-R176 VanDerWaalsContact CA-NH2 3.31Å; A173-R176 PolarHBondContact O-N 2.77Å; A173-V177 PolarHBondContact O-N 2.84Å; A173-Q238 HydrophobicContact CB-CB 4.32Å; A173-Q238 HydrophobicContact CB-CG 4.2Å; A173-M242 HydrophobicContact CB-CE 3.55Å
174	L	96.7	Very high	95.9	Very high	107 Å²	107	41.5 Å²	41.5	56%	0.56	21%	0.205	S	C	*	.	H	α-helix	trans	-68.7	-44.1	175.7	-66.3	174.9	0	0	0	111.5	R176 V177 D178 M242	L174-R176 PolarHBondContact O-N 3.4Å; L174-R176 VanDerWaalsContact O-N 3.13Å; L174-V177 WeakPolarHBondContact O-CA 3.34Å; L174-V177 VanDerWaalsContact O-CB 3.31Å; L174-V177 WeakPolarHBondContact O-CB 3.32Å; L174-V177 PolarHBondContact O-N 2.82Å; L174-D178 PolarHBondContact O-N 2.72Å; L174-M242 HydrophobicContact CD2-CE 3.8Å; L174-M242 HydrophobicContact CD2-SD 4.29Å; L174-M242 HydrophobicContact CG-CE 4.3Å
175	Q	96.2	Very high	95.6	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-53.7	-38.3	174.5	-179.4	-176.9	-6.7	0	0	112.2	A167 N172 V177 D178 E179	A167-Q175 HydrophobicContact CB-CG 3.95Å; N172-Q175 HydrophobicContact CB-CB 4.17Å; N172-Q175 PolarHBondContact O-N 3.34Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; Q175-D178 PolarHBondContact O-N 2.96Å; Q175-E179 HydrophobicContact CG-CG 4.4Å; Q175-E179 PolarHBondContact NE2-OE1 2.81Å; Q175-E179 WeakPolarHBondContact O-CB 3.35Å; Q175-E179 VanDerWaalsContact O-CG 3.29Å; Q175-E179 WeakPolarHBondContact O-CG 3.19Å; Q175-E179 PolarHBondContact O-N 2.8Å
176	R	97.5	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-31.1	176.1	-73.6	-173.4	-74.1	-83.8	2.3	113.7	L166 A167 H169 N172 A173 L174 F180 L209 N210 F211	L166-R176 HydrophobicContact CB-CB 4.49Å; L166-R176 HydrophobicContact CB-CG 3.91Å; L166-R176 HydrophobicContact CD1-CB 4.28Å; A167-R176 HydrophobicContact CB-CG 4.07Å; A167-R176 WeakPolarHBondContact O-CD 3.28Å; A167-R176 WeakPolarHBondContact O-CG 3.14Å; A167-R176 PolarHBondContact O-NH1 2.85Å; H169-R176 PolarHBondContact O-NH1 3.01Å; N172-R176 WeakPolarHBondContact O-CG 3.42Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 PolarHBondContact O-NH1 2.92Å; A173-R176 VanDerWaalsContact CA-NH2 3.31Å; A173-R176 PolarHBondContact O-N 2.77Å; L174-R176 PolarHBondContact O-N 3.4Å; L174-R176 VanDerWaalsContact O-N 3.13Å; R176-F180 WeakPolarHBondContact O-CB 3.44Å; R176-F180 PolarHBondContact O-N 3Å; R176-L209 WeakPolarHBondContact CD-O 3.49Å; R176-N210 VanDerWaalsContact CZ-O 3.29Å; R176-N210 PolarHBondContact NH1-O 2.68Å; R176-F211 HydrophobicContact CB-CE1 3.89Å; R176-F211 HydrophobicContact CB-CE2 4.14Å; R176-F211 HydrophobicContact CB-CZ 3.6Å; R176-F211 VanDerWaalsContact NE-CD1 3.33Å
177	V	97.9	Very high	95.2	Very high	5 Å²	5	50 Å²	50	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-49	172.1	175.3	0	0	0	0	108.8	A173 L174 Q175 E179 F180 E181 F211 M242 E246 F248 L249	A173-V177 PolarHBondContact O-N 2.84Å; L174-V177 WeakPolarHBondContact O-CA 3.34Å; L174-V177 VanDerWaalsContact O-CB 3.31Å; L174-V177 WeakPolarHBondContact O-CB 3.32Å; L174-V177 PolarHBondContact O-N 2.82Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; V177-E179 VanDerWaalsContact C-N 3.3Å; V177-E179 PolarHBondContact O-N 2.72Å; V177-F180 WeakPolarHBondContact O-CB 3.25Å; V177-F180 PolarHBondContact O-N 2.94Å; V177-E181 PolarHBondContact O-N 2.82Å; V177-F211 HydrophobicContact CG2-CE1 4.5Å; V177-F211 HydrophobicContact CG2-CZ 4.38Å; V177-M242 HydrophobicContact CG2-CB 3.9Å; V177-M242 HydrophobicContact CG2-CG 3.7Å; V177-M242 HydrophobicContact CG2-SD 4.37Å; V177-E246 HydrophobicContact CG1-CG 3.8Å; V177-E246 HydrophobicContact CG2-CG 4.47Å; V177-F248 HydrophobicContact CG1-CE1 3.84Å; V177-F248 HydrophobicContact CG1-CZ 3.78Å; V177-L249 HydrophobicContact CG1-CD1 4.49Å; V177-L249 HydrophobicContact CG2-CD1 4.21Å
178	D	96.4	Very high	95.1	Very high	96 Å²	96	54.4 Å²	54.4	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-42.1	177.3	-53.4	-22.6	0	0	0	111.4	L174 Q175 Y182	L174-D178 PolarHBondContact O-N 2.72Å; Q175-D178 PolarHBondContact O-N 2.96Å; D178-Y182 WeakPolarHBondContact O-CB 3.19Å; D178-Y182 PolarHBondContact O-N 3.44Å
179	E	95.8	Very high	95.1	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-37.2	175.9	-74.6	177.2	-176.6	0	0	112.5	T136 L166 A167 Q175 V177 I183	T136-E179 HydrophobicContact CG2-CB 4.29Å; T136-E179 HydrophobicContact CG2-CG 4.21Å; L166-E179 WeakPolarHBondContact CA-OE2 3.45Å; L166-E179 HydrophobicContact CD2-CB 4.23Å; A167-E179 WeakPolarHBondContact CB-OE1 3.45Å; A167-E179 PolarHBondContact N-OE2 3.48Å; Q175-E179 HydrophobicContact CG-CG 4.4Å; Q175-E179 PolarHBondContact NE2-OE1 2.81Å; Q175-E179 WeakPolarHBondContact O-CB 3.35Å; Q175-E179 VanDerWaalsContact O-CG 3.29Å; Q175-E179 WeakPolarHBondContact O-CG 3.19Å; Q175-E179 PolarHBondContact O-N 2.8Å; V177-E179 VanDerWaalsContact C-N 3.3Å; V177-E179 PolarHBondContact O-N 2.72Å; E179-I183 WeakPolarHBondContact O-CB 3.35Å; E179-I183 VanDerWaalsContact O-CD1 3.25Å; E179-I183 WeakPolarHBondContact O-CD1 3.38Å; E179-I183 WeakPolarHBondContact O-CG1 3.07Å; E179-I183 PolarHBondContact O-N 2.85Å; E179-I183 VanDerWaalsContact O-N 3.09Å
180	F	96.9	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-51.9	176.7	-161.7	-56.7	0	0	0	110.2	R176 V177 I183 L184 W205 L209 F248 L249 F252	R176-F180 WeakPolarHBondContact O-CB 3.44Å; R176-F180 PolarHBondContact O-N 3Å; V177-F180 WeakPolarHBondContact O-CB 3.25Å; V177-F180 PolarHBondContact O-N 2.94Å; F180-I183 PolarHBondContact O-N 2.88Å; F180-L184 HydrophobicContact CD1-CD1 3.73Å; F180-L184 HydrophobicContact CD1-CG 3.96Å; F180-L184 HydrophobicContact CE1-CD1 3.69Å; F180-L184 HydrophobicContact CE1-CD2 4.34Å; F180-L184 HydrophobicContact CE1-CG 4Å; F180-L184 PolarHBondContact O-N 2.95Å; F180-W205 HydrophobicContact CB-CZ2 4.42Å; F180-W205 HydrophobicContact CD1-CD2 4.5Å; F180-W205 AromaticContact CD1-CH2 3.78Å; F180-W205 HydrophobicContact CD1-CH2 3.78Å; F180-W205 AromaticContact CD1-CZ2 3.82Å; F180-W205 HydrophobicContact CD1-CZ2 3.82Å; F180-W205 HydrophobicContact CD1-CZ3 4.17Å; F180-W205 AromaticContact CD2-CE2 3.82Å; F180-W205 AromaticContact CD2-CZ2 3.85Å; F180-W205 HydrophobicContact CD2-CZ2 3.85Å; F180-W205 AromaticContact CD2-NE1 3.75Å; F180-W205 AromaticContact CE1-CD2 3.8Å; F180-W205 HydrophobicContact CE1-CD2 3.8Å; F180-W205 AromaticContact CE1-CE2 3.88Å; F180-W205 AromaticContact CE1-CE3 3.85Å; F180-W205 HydrophobicContact CE1-CE3 3.85Å; F180-W205 HydrophobicContact CE1-CG 4.37Å; F180-W205 AromaticContact CE1-CH2 3.94Å; F180-W205 HydrophobicContact CE1-CH2 3.94Å; F180-W205 AromaticContact CE1-CZ2 3.97Å; F180-W205 HydrophobicContact CE1-CZ2 3.97Å; F180-W205 AromaticContact CE1-CZ3 3.92Å; F180-W205 HydrophobicContact CE1-CZ3 3.92Å; F180-W205 AromaticContact CE2-CD1 3.56Å; F180-W205 AromaticContact CE2-CD2 3.92Å; F180-W205 HydrophobicContact CE2-CD2 3.92Å; F180-W205 AromaticContact CE2-CE2 3.52Å; F180-W205 AromaticContact CE2-CG 3.94Å; F180-W205 HydrophobicContact CE2-CG 3.94Å; F180-W205 HydrophobicContact CE2-CZ2 4.02Å; F180-W205 AromaticContact CE2-NE1 3.3Å; F180-W205 VanDerWaalsContact CE2-NE1 3.3Å; F180-W205 HydrophobicContact CG-CH2 4.13Å; F180-W205 AromaticContact CG-CZ2 3.76Å; F180-W205 HydrophobicContact CG-CZ2 3.76Å; F180-W205 HydrophobicContact CZ-CB 4.31Å; F180-W205 AromaticContact CZ-CD1 3.73Å; F180-W205 AromaticContact CZ-CD2 3.48Å; F180-W205 HydrophobicContact CZ-CD2 3.48Å; F180-W205 VanDerWaalsContact CZ-CD2 3.48Å; F180-W205 AromaticContact CZ-CE2 3.55Å; F180-W205 AromaticContact CZ-CE3 3.99Å; F180-W205 HydrophobicContact CZ-CE3 3.99Å; F180-W205 AromaticContact CZ-CG 3.61Å; F180-W205 HydrophobicContact CZ-CG 3.61Å; F180-W205 HydrophobicContact CZ-CH2 4.44Å; F180-W205 HydrophobicContact CZ-CZ2 4.08Å; F180-W205 HydrophobicContact CZ-CZ3 4.44Å; F180-W205 AromaticContact CZ-NE1 3.71Å; F180-L209 HydrophobicContact CE2-CD2 4.45Å; F180-F248 HydrophobicContact CB-CE2 4.35Å; F180-F248 HydrophobicContact CD1-CD2 4.5Å; F180-F248 AromaticContact CD1-CE2 3.71Å; F180-F248 HydrophobicContact CD1-CE2 3.71Å; F180-F248 HydrophobicContact CE1-CE2 4.32Å; F180-F248 HydrophobicContact CG-CE2 4.19Å; F180-L249 HydrophobicContact CD1-CD2 4.14Å; F180-L249 HydrophobicContact CD2-CD2 3.95Å; F180-L249 HydrophobicContact CE1-CD2 4.18Å; F180-L249 HydrophobicContact CE2-CD2 3.98Å; F180-L249 HydrophobicContact CG-CD2 4.03Å; F180-L249 HydrophobicContact CZ-CD2 4.1Å; F180-F252 HydrophobicContact CE1-CD2 4.39Å; F180-F252 AromaticContact CE1-CE2 3.92Å; F180-F252 HydrophobicContact CE1-CE2 3.92Å; F180-F252 HydrophobicContact CE1-CZ 4.05Å; F180-F252 HydrophobicContact CZ-CD2 4.32Å; F180-F252 HydrophobicContact CZ-CE1 4.41Å; F180-F252 HydrophobicContact CZ-CE2 4.2Å; F180-F252 HydrophobicContact CZ-CG 4.49Å; F180-F252 HydrophobicContact CZ-CZ 4.25Å
181	E	96.3	Very high	94.5	Very high	80 Å²	80	56.1 Å²	56.1	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-49.8	178.4	-174.2	170.9	-127.2	0	0	110.9	V177 I183 L184 E185 F248	V177-E181 PolarHBondContact O-N 2.82Å; E181-I183 VanDerWaalsContact C-N 3.3Å; E181-I183 PolarHBondContact O-N 2.99Å; E181-L184 WeakPolarHBondContact O-CB 3.38Å; E181-L184 PolarHBondContact O-N 2.82Å; E181-E185 HydrophobicContact CG-CG 4.46Å; E181-E185 WeakPolarHBondContact O-CG 3.25Å; E181-E185 PolarHBondContact O-N 2.9Å; E181-F248 HydrophobicContact CB-CE1 4.23Å; E181-F248 HydrophobicContact CB-CE2 4.33Å; E181-F248 HydrophobicContact CB-CZ 3.88Å
182	Y	95.6	Very high	93.8	Very high	106 Å²	106	58.9 Å²	58.9	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-55.2	-43.3	177.8	176.4	-103.1	0	0	0	112.9	T134 T136 D178 E185 T186	T134-Y182 HydrophobicContact CG2-CD1 3.95Å; T134-Y182 HydrophobicContact CG2-CE1 3.52Å; T136-Y182 HydrophobicContact CG2-CD1 3.91Å; T136-Y182 HydrophobicContact CG2-CE1 4.33Å; D178-Y182 WeakPolarHBondContact O-CB 3.19Å; D178-Y182 PolarHBondContact O-N 3.44Å; Y182-E185 PolarHBondContact O-N 2.81Å; Y182-T186 HydrophobicContact CD2-CG2 3.72Å; Y182-T186 HydrophobicContact CE2-CG2 3.41Å; Y182-T186 VanDerWaalsContact CE2-CG2 3.41Å; Y182-T186 HydrophobicContact CG-CG2 4.42Å; Y182-T186 WeakPolarHBondContact O-CB 3.45Å; Y182-T186 WeakPolarHBondContact O-CG2 3.23Å; Y182-T186 PolarHBondContact O-N 2.82Å; Y182-T186 PolarHBondContact O-OG1 2.88Å
183	I	96.4	Very high	93.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-39.7	177.5	-70.1	160.8	0	0	0	110.8	T134 T136 A147 L162 L166 E179 F180 E181 E185 Q187 W205	T134-I183 HydrophobicContact CG2-CG1 3.94Å; T136-I183 HydrophobicContact CG2-CD1 3.8Å; T136-I183 HydrophobicContact CG2-CG1 3.73Å; A147-I183 HydrophobicContact CB-CD1 3.93Å; A147-I183 HydrophobicContact CB-CG1 4.44Å; A147-I183 HydrophobicContact CB-CG2 3.75Å; L162-I183 HydrophobicContact CD2-CG2 4.28Å; L166-I183 HydrophobicContact CD2-CD1 4.03Å; E179-I183 WeakPolarHBondContact O-CB 3.35Å; E179-I183 VanDerWaalsContact O-CD1 3.25Å; E179-I183 WeakPolarHBondContact O-CD1 3.38Å; E179-I183 WeakPolarHBondContact O-CG1 3.07Å; E179-I183 PolarHBondContact O-N 2.85Å; E179-I183 VanDerWaalsContact O-N 3.09Å; F180-I183 PolarHBondContact O-N 2.88Å; E181-I183 VanDerWaalsContact C-N 3.3Å; E181-I183 PolarHBondContact O-N 2.99Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 2.9Å; I183-Q187 HydrophobicContact CG2-CB 4.41Å; I183-Q187 WeakPolarHBondContact O-CB 3.35Å; I183-Q187 PolarHBondContact O-N 2.72Å; I183-Q187 VanDerWaalsContact O-N 3.08Å; I183-W205 HydrophobicContact CB-CH2 3.65Å; I183-W205 HydrophobicContact CB-CZ2 4.48Å; I183-W205 HydrophobicContact CB-CZ3 4.46Å; I183-W205 HydrophobicContact CD1-CH2 4.29Å; I183-W205 HydrophobicContact CD1-CZ2 4.31Å; I183-W205 HydrophobicContact CG2-CH2 3.32Å; I183-W205 HydrophobicContact CG2-CZ2 4.25Å; I183-W205 HydrophobicContact CG2-CZ3 3.79Å
184	L	95.6	Very high	92.7	Very high	12 Å²	12	62 Å²	62	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-38.8	176.2	-73.1	177.7	0	0	0	112.5	F180 E181 V197 L198 W205 F248 F252	F180-L184 HydrophobicContact CD1-CD1 3.73Å; F180-L184 HydrophobicContact CD1-CG 3.96Å; F180-L184 HydrophobicContact CE1-CD1 3.69Å; F180-L184 HydrophobicContact CE1-CD2 4.34Å; F180-L184 HydrophobicContact CE1-CG 4Å; F180-L184 PolarHBondContact O-N 2.95Å; E181-L184 WeakPolarHBondContact O-CB 3.38Å; E181-L184 PolarHBondContact O-N 2.82Å; L184-V197 HydrophobicContact CD2-CB 4.29Å; L184-V197 HydrophobicContact CD2-CG1 3.72Å; L184-L198 HydrophobicContact CD1-CD2 4.41Å; L184-L198 HydrophobicContact CD2-CD2 3.86Å; L184-L198 HydrophobicContact CD2-CG 4.27Å; L184-W205 HydrophobicContact CD2-CE3 3.97Å; L184-W205 HydrophobicContact CD2-CH2 4.41Å; L184-W205 HydrophobicContact CD2-CZ3 3.48Å; L184-W205 VanDerWaalsContact CD2-CZ3 3.48Å; L184-W205 HydrophobicContact CG-CH2 4.32Å; L184-W205 HydrophobicContact CG-CZ3 3.84Å; L184-F248 HydrophobicContact CD1-CD2 3.94Å; L184-F248 HydrophobicContact CD1-CE2 4.22Å; L184-F252 HydrophobicContact CD1-CE2 4.18Å; L184-F252 HydrophobicContact CD1-CZ 4.47Å; L184-F252 HydrophobicContact CD2-CZ 4.15Å
185	E	92.8	Very high	92.5	Very high	130 Å²	130	58.4 Å²	58.4	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-78.3	-37.2	-177.4	-69.4	-178	159.5	0	0	113.3	E181 Y182 I183	E181-E185 HydrophobicContact CG-CG 4.46Å; E181-E185 WeakPolarHBondContact O-CG 3.25Å; E181-E185 PolarHBondContact O-N 2.9Å; Y182-E185 PolarHBondContact O-N 2.81Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 2.9Å
186	T	93	Very high	92.4	Very high	52 Å²	52	58.7 Å²	58.7	32%	0.319	29%	0.291	S	S	.	.	H	α-helix	trans	-103.5	-15.4	-168.8	62.3	0	0	0	0	114.7	Y182 D188	Y182-T186 HydrophobicContact CD2-CG2 3.72Å; Y182-T186 HydrophobicContact CE2-CG2 3.41Å; Y182-T186 VanDerWaalsContact CE2-CG2 3.41Å; Y182-T186 HydrophobicContact CG-CG2 4.42Å; Y182-T186 WeakPolarHBondContact O-CB 3.45Å; Y182-T186 WeakPolarHBondContact O-CG2 3.23Å; Y182-T186 PolarHBondContact O-N 2.82Å; Y182-T186 PolarHBondContact O-OG1 2.88Å; T186-D188 PolarHBondContact O-N 3.05Å
187	Q	93.3	Very high	92.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.291	C	S	.	.			trans	-83	107.4	179.7	-161.6	174.4	-94.4	0	0	110.2	T132 T134 S149 I183 V197	T132-Q187 HydrophobicContact CG2-CG 3.41Å; T132-Q187 VanDerWaalsContact CG2-CG 3.41Å; T134-Q187 VanDerWaalsContact OG1-CB 3.27Å; T134-Q187 WeakPolarHBondContact OG1-CB 3.06Å; T134-Q187 WeakPolarHBondContact OG1-CG 3.39Å; S149-Q187 PolarHBondContact OG-NE2 2.97Å; I183-Q187 HydrophobicContact CG2-CB 4.41Å; I183-Q187 WeakPolarHBondContact O-CB 3.35Å; I183-Q187 PolarHBondContact O-N 2.72Å; I183-Q187 VanDerWaalsContact O-N 3.08Å; Q187-V197 HydrophobicContact CB-CG2 4.12Å
188	D	93.4	Very high	92.2	Very high	98 Å²	98	61.1 Å²	61.1	52%	0.524	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-117.3	157.7	-175.6	60.6	-1.5	0	0	0	112.8	T132 T186 P195	T132-D188 WeakPolarHBondContact CG2-O 3.44Å; T132-D188 PolarHBondContact OG1-O 2.87Å; T186-D188 PolarHBondContact O-N 3.05Å; D188-P195 CarbonylContact C-O 3.54Å; D188-P195 WeakPolarHBondContact CA-O 3.5Å
189	F	93.1	Very high	92.1	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.039	29%	0.29	C	S	.	.			trans	-117.7	137.7	178.2	-63.6	-77.8	0	0	0	108.4	Q130 T132 S149 R151 I191 P195 V197 H200	Q130-F189 HydrophobicContact CB-CD1 4.08Å; T132-F189 HydrophobicContact CG2-CD1 3.85Å; T132-F189 HydrophobicContact CG2-CE1 3.49Å; T132-F189 VanDerWaalsContact CG2-CE1 3.49Å; T132-F189 HydrophobicContact CG2-CZ 3.88Å; S149-F189 WeakPolarHBondContact OG-CZ 3.48Å; R151-F189 HydrophobicContact CB-CD1 4.48Å; R151-F189 HydrophobicContact CB-CE1 3.89Å; R151-F189 HydrophobicContact CB-CE2 4.32Å; R151-F189 HydrophobicContact CB-CZ 3.8Å; R151-F189 HydrophobicContact CG-CD1 3.38Å; R151-F189 HydrophobicContact CG-CD2 4.19Å; R151-F189 HydrophobicContact CG-CE1 3.22Å; R151-F189 HydrophobicContact CG-CE2 4.07Å; R151-F189 HydrophobicContact CG-CG 3.87Å; R151-F189 HydrophobicContact CG-CZ 3.59Å; F189-I191 HydrophobicContact CB-CG2 4.11Å; F189-I191 PolarHBondContact O-N 2.88Å; F189-P195 WeakPolarHBondContact CD2-O 3.5Å; F189-P195 PolarHBondContact N-O 2.87Å; F189-V197 HydrophobicContact CE2-CG2 4.33Å; F189-H200 AromaticContact CD2-CE1 3.75Å; F189-H200 AromaticContact CE2-CE1 3.67Å
190	D	88.3	Confident	92.1	Very high	156 Å²	156	58.1 Å²	58.1	83%	0.834	29%	0.287	S	S	*	.	S	Bend	trans	-78.3	70.5	178.5	-170.5	17.4	0	0	0	110	Q130	Q130-D190 PolarHBondContact NE2-O 2.97Å
191	I	83.6	Confident	91.9	Very high	43 Å²	43	60.2 Å²	60.2	22%	0.221	30%	0.297	C	S	.	.			trans	-150.9	149.3	179.9	-159.8	169.4	0	0	0	110.9	F189 D193 P195	F189-I191 HydrophobicContact CB-CG2 4.11Å; F189-I191 PolarHBondContact O-N 2.88Å; I191-D193 VanDerWaalsContact CD1-OD1 3.28Å; I191-D193 WeakPolarHBondContact CD1-OD1 3.3Å; I191-D193 WeakPolarHBondContact CG1-OD1 3.36Å; I191-P195 WeakPolarHBondContact O-CB 3.09Å
192	F	79.4	Confident	92	Very high	207 Å²	207	56.4 Å²	56.4	91%	0.908	28%	0.279	S	S	*	.	S	Bend	trans	-81.3	-35.5	-173.2	-174.1	-93.2	0	0	0	114.4
193	D	80.6	Confident	92.1	Very high	89 Å²	89	51.4 Å²	51.4	48%	0.476	26%	0.259	S	S	.	.	S	Bend	trans	-80.4	-37.7	-169.8	62	-9.1	0	0	0	113.6	I191	I191-D193 VanDerWaalsContact CD1-OD1 3.28Å; I191-D193 WeakPolarHBondContact CD1-OD1 3.3Å; I191-D193 WeakPolarHBondContact CG1-OD1 3.36Å
194	T	88.7	Confident	92.2	Very high	15 Å²	15	51.4 Å²	51.4	9%	0.092	26%	0.259	C	S	.	.			trans	-145.6	59.3	-170.9	37.7	0	0	0	0	111	R151 M158 H196 D199 H200	R151-T194 PolarHBondContact NH2-OG1 2.97Å; M158-T194 HydrophobicContact CB-CG2 4.39Å; M158-T194 HydrophobicContact CG-CG2 4.18Å; T194-H196 PolarHBondContact O-N 2.91Å; T194-D199 HydrophobicContact CG2-CB 4.12Å; T194-H200 PolarHBondContact O-CE1 3.06Å
195	P	91.6	Very high	92.4	Very high	32 Å²	32	50.8 Å²	50.8	21%	0.208	26%	0.256	C	S	.	.			trans	-67.6	-28.6	-174.4	24.7	-33.3	0	0	0	114.1	D188 F189 I191 D199	D188-P195 CarbonylContact C-O 3.54Å; D188-P195 WeakPolarHBondContact CA-O 3.5Å; F189-P195 WeakPolarHBondContact CD2-O 3.5Å; F189-P195 PolarHBondContact N-O 2.87Å; I191-P195 WeakPolarHBondContact O-CB 3.09Å; P195-D199 VanDerWaalsContact CD-OD2 3.24Å; P195-D199 WeakPolarHBondContact CD-OD2 3.26Å
196	H	94.8	Very high	92.7	Very high	88 Å²	88	44.6 Å²	44.6	41%	0.407	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-106.3	156.6	-174.7	-52.4	-69.2	0	0	0	112.4	T194 L198 D199 H200	T194-H196 PolarHBondContact O-N 2.91Å; H196-L198 VanDerWaalsContact C-N 3.28Å; H196-L198 PolarHBondContact O-N 2.88Å; H196-D199 WeakPolarHBondContact CA-OD2 3.31Å; H196-D199 VanDerWaalsContact CB-OD2 3.3Å; H196-D199 WeakPolarHBondContact CB-OD2 3.24Å; H196-D199 IonicContact CD2-OD2 2.9Å; H196-D199 PolarHBondContact CD2-OD2 2.65Å; H196-D199 VanDerWaalsContact CD2-OD2 3.31Å; H196-D199 IonicContact CG-OD2 3.42Å; H196-D199 PolarHBondContact N-OD2 2.79Å; H196-D199 WeakPolarHBondContact O-CB 3.36Å; H196-D199 PolarHBondContact O-N 2.82Å; H196-H200 PolarHBondContact O-CE1 2.84Å; H196-H200 VanDerWaalsContact O-CE1 3.27Å; H196-H200 PolarHBondContact O-ND1 3.36Å
197	V	95.9	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-54.3	-45.3	178.8	172.3	0	0	0	0	111.7	L162 L184 Q187 F189 D199 H200 V203	L162-V197 HydrophobicContact CD1-CG1 3.76Å; L162-V197 HydrophobicContact CD2-CG1 4.1Å; L162-V197 HydrophobicContact CD2-CG2 3.94Å; L184-V197 HydrophobicContact CD2-CB 4.29Å; L184-V197 HydrophobicContact CD2-CG1 3.72Å; Q187-V197 HydrophobicContact CB-CG2 4.12Å; F189-V197 HydrophobicContact CE2-CG2 4.33Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 2.98Å; V197-H200 PolarHBondContact O-N 3.34Å; V197-H200 PolarHBondContact O-ND1 3.36Å; V197-H200 VanDerWaalsContact O-ND1 3.13Å; V197-V203 HydrophobicContact CG1-CG1 3.76Å; V197-V203 HydrophobicContact CG1-CG2 4.22Å; V197-V203 WeakPolarHBondContact O-CG2 3.47Å
198	L	95.3	Very high	93.2	Very high	55 Å²	55	42.1 Å²	42.1	29%	0.288	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-77.4	-9.7	-174.7	-62.3	-179.5	0	0	0	114.5	L184 H196 H200 F252 R290	L184-L198 HydrophobicContact CD1-CD2 4.41Å; L184-L198 HydrophobicContact CD2-CD2 3.86Å; L184-L198 HydrophobicContact CD2-CG 4.27Å; H196-L198 VanDerWaalsContact C-N 3.28Å; H196-L198 PolarHBondContact O-N 2.88Å; L198-H200 VanDerWaalsContact C-N 3.25Å; L198-H200 PolarHBondContact O-N 3.15Å; L198-F252 HydrophobicContact CD2-CZ 4.39Å; L198-R290 PolarHBondContact O-NH1 2.69Å
199	D	93.9	Very high	93.5	Very high	47 Å²	47	37.5 Å²	37.5	25%	0.251	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-71.8	-24.4	175.7	-60.4	-21.6	0	0	0	112.1	T194 P195 H196 V197 K292	T194-D199 HydrophobicContact CG2-CB 4.12Å; P195-D199 VanDerWaalsContact CD-OD2 3.24Å; P195-D199 WeakPolarHBondContact CD-OD2 3.26Å; H196-D199 WeakPolarHBondContact CA-OD2 3.31Å; H196-D199 VanDerWaalsContact CB-OD2 3.3Å; H196-D199 WeakPolarHBondContact CB-OD2 3.24Å; H196-D199 IonicContact CD2-OD2 2.9Å; H196-D199 PolarHBondContact CD2-OD2 2.65Å; H196-D199 VanDerWaalsContact CD2-OD2 3.31Å; H196-D199 IonicContact CG-OD2 3.42Å; H196-D199 PolarHBondContact N-OD2 2.79Å; H196-D199 WeakPolarHBondContact O-CB 3.36Å; H196-D199 PolarHBondContact O-N 2.82Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 2.98Å; D199-K292 PolarHBondContact O-NZ 2.78Å
200	H	95.3	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-69	142.7	-177.9	-63.9	74.4	0	0	0	111.1	R151 C160 F189 T194 H196 V197 L198 V202 V203	R151-H200 WeakPolarHBondContact CB-NE2 3.35Å; R151-H200 PolarHBondContact NE-NE2 3.02Å; R151-H200 PolarHBondContact NH2-NE2 3.3Å; C160-H200 HydrophobicContact CB-CB 3.96Å; F189-H200 AromaticContact CD2-CE1 3.75Å; F189-H200 AromaticContact CE2-CE1 3.67Å; T194-H200 PolarHBondContact O-CE1 3.06Å; H196-H200 PolarHBondContact O-CE1 2.84Å; H196-H200 VanDerWaalsContact O-CE1 3.27Å; H196-H200 PolarHBondContact O-ND1 3.36Å; V197-H200 PolarHBondContact O-N 3.34Å; V197-H200 PolarHBondContact O-ND1 3.36Å; V197-H200 VanDerWaalsContact O-ND1 3.13Å; L198-H200 VanDerWaalsContact C-N 3.25Å; L198-H200 PolarHBondContact O-N 3.15Å; H200-V202 VanDerWaalsContact C-N 3.29Å; H200-V202 PolarHBondContact O-N 3.43Å; H200-V203 HydrophobicContact CB-CG2 4.09Å
201	K	94.2	Very high	94.2	Very high	45 Å²	45	29.9 Å²	29.9	20%	0.196	15%	0.147	C	C	.	.	S	Bend	trans	-63.5	-37.3	-177.9	-162.9	173.3	-175.1	164.1	0	112.2	H157 M158 I291 K292 Y319 I321 Y353	H157-K201 HydrophobicContact CB-CD 4.33Å; H157-K201 PolarHBondContact CE1-NZ 2.83Å; H157-K201 VanDerWaalsContact ND1-CD 3.33Å; H157-K201 WeakPolarHBondContact ND1-CD 3.47Å; H157-K201 WeakPolarHBondContact ND1-CE 3.36Å; H157-K201 PolarHBondContact ND1-NZ 2.85Å; M158-K201 WeakPolarHBondContact O-CB 3.17Å; M158-K201 PolarHBondContact O-N 3.07Å; K201-I291 WeakPolarHBondContact O-CA 3.49Å; K201-K292 PolarHBondContact O-N 2.63Å; K201-Y319 WeakPolarHBondContact CE-O 3.25Å; K201-Y319 PolarHBondContact NZ-O 2.92Å; K201-I321 HydrophobicContact CD-CG2 3.89Å; K201-I321 HydrophobicContact CG-CG2 3.74Å; K201-Y353 PolarHBondContact NZ-OH 3.47Å
202	V	97.3	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131	172.3	-172.4	0	0	0	0	109.9	M158 M159 C160 H200 F204 R290 I321 V323	M158-V202 PolarHBondContact O-N 3.24Å; M159-V202 CarbonylContact C-O 3.55Å; M159-V202 WeakPolarHBondContact CA-O 3.48Å; M159-V202 HydrophobicContact CG-CB 4.48Å; C160-V202 PolarHBondContact N-O 3.47Å; H200-V202 VanDerWaalsContact C-N 3.29Å; H200-V202 PolarHBondContact O-N 3.43Å; V202-F204 HydrophobicContact CB-CE2 4.47Å; V202-F204 HydrophobicContact CG1-CD2 3.9Å; V202-F204 HydrophobicContact CG1-CE2 3.42Å; V202-F204 VanDerWaalsContact CG1-CE2 3.42Å; V202-F204 HydrophobicContact CG1-CZ 3.87Å; V202-R290 WeakPolarHBondContact CA-O 3.3Å; V202-I321 HydrophobicContact CG2-CB 4.47Å; V202-I321 HydrophobicContact CG2-CD1 3.75Å; V202-I321 HydrophobicContact CG2-CG1 4.16Å; V202-I321 HydrophobicContact CG2-CG2 3.52Å; V202-V323 HydrophobicContact CG1-CG2 3.97Å; V202-V323 HydrophobicContact CG2-CG2 4.11Å
203	V	98.6	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.7	174.1	-178.3	0	0	0	0	108.5	C160 L162 V197 H200 F252 W289 R290	C160-V203 HydrophobicContact CB-CG2 4.42Å; C160-V203 CarbonylContact O-C 3.59Å; C160-V203 WeakPolarHBondContact O-CA 3.34Å; L162-V203 HydrophobicContact CD1-CG1 3.44Å; L162-V203 VanDerWaalsContact CD1-CG1 3.44Å; V197-V203 HydrophobicContact CG1-CG1 3.76Å; V197-V203 HydrophobicContact CG1-CG2 4.22Å; V197-V203 WeakPolarHBondContact O-CG2 3.47Å; H200-V203 HydrophobicContact CB-CG2 4.09Å; V203-F252 HydrophobicContact CB-CE1 4.5Å; V203-F252 HydrophobicContact CG1-CE1 4.11Å; V203-F252 HydrophobicContact CG1-CZ 4.44Å; V203-W289 CarbonylContact O-C 3.34Å; V203-W289 WeakPolarHBondContact O-CA 3.25Å; V203-R290 HydrophobicContact CB-CB 4.37Å; V203-R290 PolarHBondContact N-O 3.09Å; V203-R290 PolarHBondContact O-N 2.67Å
204	F	98.9	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	167.4	-68.6	-86.3	0	0	0	109.6	L33 M35 C160 F161 L162 V202 L288 W289 V323 F346 L348	L33-F204 HydrophobicContact CD2-CD2 4.29Å; L33-F204 HydrophobicContact CD2-CE1 4.01Å; L33-F204 HydrophobicContact CD2-CE2 3.71Å; L33-F204 HydrophobicContact CD2-CZ 3.57Å; M35-F204 HydrophobicContact CE-CB 3.78Å; M35-F204 HydrophobicContact CE-CD1 4.29Å; M35-F204 HydrophobicContact CE-CG 4.18Å; M35-F204 HydrophobicContact SD-CB 4.08Å; M35-F204 HydrophobicContact SD-CD1 3.44Å; M35-F204 WeakPolarHBondContact SD-CD1 3.21Å; M35-F204 HydrophobicContact SD-CE1 4.02Å; M35-F204 HydrophobicContact SD-CG 3.82Å; C160-F204 PolarHBondContact O-N 3.02Å; F161-F204 WeakPolarHBondContact CA-O 3.46Å; F161-F204 HydrophobicContact CD1-CB 3.75Å; F161-F204 AromaticContact CD1-CD2 3.69Å; F161-F204 HydrophobicContact CD1-CD2 3.69Å; F161-F204 AromaticContact CD1-CG 3.99Å; F161-F204 HydrophobicContact CD1-CG 3.99Å; F161-F204 HydrophobicContact CE1-CB 4.2Å; F161-F204 AromaticContact CE1-CD2 3.26Å; F161-F204 HydrophobicContact CE1-CD2 3.26Å; F161-F204 AromaticContact CE1-CE2 3.82Å; F161-F204 HydrophobicContact CE1-CE2 3.82Å; F161-F204 AromaticContact CE1-CG 3.9Å; F161-F204 HydrophobicContact CE1-CG 3.9Å; F161-F204 AromaticContact CZ-CD2 3.95Å; F161-F204 HydrophobicContact CZ-CD2 3.95Å; F161-F204 HydrophobicContact CZ-CE2 4.25Å; L162-F204 PolarHBondContact N-O 3.43Å; V202-F204 HydrophobicContact CB-CE2 4.47Å; V202-F204 HydrophobicContact CG1-CD2 3.9Å; V202-F204 HydrophobicContact CG1-CE2 3.42Å; V202-F204 VanDerWaalsContact CG1-CE2 3.42Å; V202-F204 HydrophobicContact CG1-CZ 3.87Å; F204-L288 WeakPolarHBondContact CA-O 3.25Å; F204-W289 HydrophobicContact CD1-CB 3.64Å; F204-W289 HydrophobicContact CE1-CB 3.74Å; F204-W289 HydrophobicContact CE1-CG 4.41Å; F204-W289 HydrophobicContact CG-CB 4.4Å; F204-V323 HydrophobicContact CE1-CG1 4.12Å; F204-V323 HydrophobicContact CZ-CG1 3.92Å; F204-F346 HydrophobicContact CD1-CZ 4.34Å; F204-F346 AromaticContact CE1-CD1 3.9Å; F204-F346 HydrophobicContact CE1-CD1 3.9Å; F204-F346 HydrophobicContact CE1-CD2 4.26Å; F204-F346 AromaticContact CE1-CE1 3.86Å; F204-F346 HydrophobicContact CE1-CE1 3.86Å; F204-F346 HydrophobicContact CE1-CE2 4.25Å; F204-F346 HydrophobicContact CE1-CG 4.09Å; F204-F346 HydrophobicContact CE1-CZ 4.04Å; F204-L348 HydrophobicContact CE2-CD2 4.4Å; F204-L348 HydrophobicContact CZ-CD2 3.89Å
205	W	98.8	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118	179.2	-173.7	-69.6	0	0	0	110.4	L162 C164 F180 I183 L184 F252 L288	L162-W205 HydrophobicContact CB-CD2 4.25Å; L162-W205 HydrophobicContact CB-CE3 3.98Å; L162-W205 HydrophobicContact CD1-CE3 4.07Å; L162-W205 HydrophobicContact CD2-CE3 3.71Å; L162-W205 HydrophobicContact CD2-CH2 4.46Å; L162-W205 HydrophobicContact CD2-CZ3 3.58Å; L162-W205 HydrophobicContact CG-CE3 4.14Å; L162-W205 HydrophobicContact CG-CZ3 4.48Å; C164-W205 HydrophobicContact CB-CZ2 4.43Å; C164-W205 PolarHBondContact SG-NE1 3.14Å; C164-W205 VanDerWaalsContact SG-NE1 3.42Å; F180-W205 HydrophobicContact CB-CZ2 4.42Å; F180-W205 HydrophobicContact CD1-CD2 4.5Å; F180-W205 AromaticContact CD1-CH2 3.78Å; F180-W205 HydrophobicContact CD1-CH2 3.78Å; F180-W205 AromaticContact CD1-CZ2 3.82Å; F180-W205 HydrophobicContact CD1-CZ2 3.82Å; F180-W205 HydrophobicContact CD1-CZ3 4.17Å; F180-W205 AromaticContact CD2-CE2 3.82Å; F180-W205 AromaticContact CD2-CZ2 3.85Å; F180-W205 HydrophobicContact CD2-CZ2 3.85Å; F180-W205 AromaticContact CD2-NE1 3.75Å; F180-W205 AromaticContact CE1-CD2 3.8Å; F180-W205 HydrophobicContact CE1-CD2 3.8Å; F180-W205 AromaticContact CE1-CE2 3.88Å; F180-W205 AromaticContact CE1-CE3 3.85Å; F180-W205 HydrophobicContact CE1-CE3 3.85Å; F180-W205 HydrophobicContact CE1-CG 4.37Å; F180-W205 AromaticContact CE1-CH2 3.94Å; F180-W205 HydrophobicContact CE1-CH2 3.94Å; F180-W205 AromaticContact CE1-CZ2 3.97Å; F180-W205 HydrophobicContact CE1-CZ2 3.97Å; F180-W205 AromaticContact CE1-CZ3 3.92Å; F180-W205 HydrophobicContact CE1-CZ3 3.92Å; F180-W205 AromaticContact CE2-CD1 3.56Å; F180-W205 AromaticContact CE2-CD2 3.92Å; F180-W205 HydrophobicContact CE2-CD2 3.92Å; F180-W205 AromaticContact CE2-CE2 3.52Å; F180-W205 AromaticContact CE2-CG 3.94Å; F180-W205 HydrophobicContact CE2-CG 3.94Å; F180-W205 HydrophobicContact CE2-CZ2 4.02Å; F180-W205 AromaticContact CE2-NE1 3.3Å; F180-W205 VanDerWaalsContact CE2-NE1 3.3Å; F180-W205 HydrophobicContact CG-CH2 4.13Å; F180-W205 AromaticContact CG-CZ2 3.76Å; F180-W205 HydrophobicContact CG-CZ2 3.76Å; F180-W205 HydrophobicContact CZ-CB 4.31Å; F180-W205 AromaticContact CZ-CD1 3.73Å; F180-W205 AromaticContact CZ-CD2 3.48Å; F180-W205 HydrophobicContact CZ-CD2 3.48Å; F180-W205 VanDerWaalsContact CZ-CD2 3.48Å; F180-W205 AromaticContact CZ-CE2 3.55Å; F180-W205 AromaticContact CZ-CE3 3.99Å; F180-W205 HydrophobicContact CZ-CE3 3.99Å; F180-W205 AromaticContact CZ-CG 3.61Å; F180-W205 HydrophobicContact CZ-CG 3.61Å; F180-W205 HydrophobicContact CZ-CH2 4.44Å; F180-W205 HydrophobicContact CZ-CZ2 4.08Å; F180-W205 HydrophobicContact CZ-CZ3 4.44Å; F180-W205 AromaticContact CZ-NE1 3.71Å; I183-W205 HydrophobicContact CB-CH2 3.65Å; I183-W205 HydrophobicContact CB-CZ2 4.48Å; I183-W205 HydrophobicContact CB-CZ3 4.46Å; I183-W205 HydrophobicContact CD1-CH2 4.29Å; I183-W205 HydrophobicContact CD1-CZ2 4.31Å; I183-W205 HydrophobicContact CG2-CH2 3.32Å; I183-W205 HydrophobicContact CG2-CZ2 4.25Å; I183-W205 HydrophobicContact CG2-CZ3 3.79Å; L184-W205 HydrophobicContact CD2-CE3 3.97Å; L184-W205 HydrophobicContact CD2-CH2 4.41Å; L184-W205 HydrophobicContact CD2-CZ3 3.48Å; L184-W205 VanDerWaalsContact CD2-CZ3 3.48Å; L184-W205 HydrophobicContact CG-CH2 4.32Å; L184-W205 HydrophobicContact CG-CZ3 3.84Å; W205-F252 HydrophobicContact CB-CD1 4.23Å; W205-F252 HydrophobicContact CB-CE1 3.88Å; W205-L288 PolarHBondContact N-O 3.4Å; W205-L288 WeakPolarHBondContact O-CA 3.39Å; W205-L288 WeakPolarHBondContact O-CD1 3.43Å; W205-L288 PolarHBondContact O-N 3.19Å
206	F	98.9	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.4	-172.6	62.2	-73.1	0	0	0	111.6	M35 V65 L114 F161 L162 N163 C164 R286 I287	M35-F206 HydrophobicContact CE-CD1 3.32Å; M35-F206 HydrophobicContact CE-CD2 4.2Å; M35-F206 HydrophobicContact CE-CE1 3.32Å; M35-F206 HydrophobicContact CE-CE2 4.15Å; M35-F206 HydrophobicContact CE-CG 3.82Å; M35-F206 HydrophobicContact CE-CZ 3.74Å; V65-F206 HydrophobicContact CG1-CE1 4.12Å; V65-F206 HydrophobicContact CG1-CE2 4.37Å; V65-F206 HydrophobicContact CG1-CZ 3.54Å; L114-F206 HydrophobicContact CD1-CE1 4.47Å; L114-F206 HydrophobicContact CD1-CE2 4.29Å; L114-F206 HydrophobicContact CD1-CZ 3.55Å; F161-F206 HydrophobicContact CB-CE1 4.16Å; L162-F206 WeakPolarHBondContact O-CD1 3.35Å; L162-F206 VanDerWaalsContact O-CE1 3.29Å; L162-F206 WeakPolarHBondContact O-CE1 3.48Å; L162-F206 PolarHBondContact O-N 2.73Å; N163-F206 CarbonylContact C-O 3.59Å; N163-F206 VanDerWaalsContact CA-O 3.25Å; N163-F206 WeakPolarHBondContact CA-O 3.27Å; N163-F206 HydrophobicContact CB-CE2 4.21Å; N163-F206 HydrophobicContact CB-CZ 4.2Å; C164-F206 PolarHBondContact N-O 2.95Å; F206-R286 WeakPolarHBondContact CA-O 3.44Å; F206-R286 VanDerWaalsContact CB-O 3.26Å; F206-R286 WeakPolarHBondContact CB-O 3.28Å; F206-I287 HydrophobicContact CB-CB 4.18Å; F206-I287 HydrophobicContact CB-CG1 3.94Å; F206-I287 HydrophobicContact CB-CG2 4.17Å
207	G	98.8	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-161.5	179.5	0	0	0	0	0	113.4	T37 C164 L209 D285 R286	T37-G207 VanDerWaalsContact OG1-C 3.29Å; T37-G207 WeakPolarHBondContact OG1-CA 3.35Å; T37-G207 PolarHBondContact OG1-N 3.08Å; T37-G207 PolarHBondContact OG1-O 2.84Å; C164-G207 VanDerWaalsContact O-CA 3.31Å; C164-G207 WeakPolarHBondContact O-CA 3.36Å; G207-L209 WeakPolarHBondContact O-CD1 3.34Å; G207-L209 PolarHBondContact O-N 3.22Å; G207-D285 VanDerWaalsContact O-CA 3.26Å; G207-D285 WeakPolarHBondContact O-CA 3.43Å; G207-R286 PolarHBondContact N-O 3.47Å; G207-R286 VanDerWaalsContact N-O 3.12Å; G207-R286 PolarHBondContact O-N 2.93Å
208	D	98.8	Very high	94.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	83.2	164.1	-178.2	0.8	0	0	0	108.5	N39 Q69 C164 H165 L166 N210 T284 H339	N39-D208 HydrophobicContact CB-CB 4.3Å; N39-D208 PolarHBondContact ND2-OD2 3.09Å; Q69-D208 HydrophobicContact CB-CB 4.44Å; Q69-D208 HydrophobicContact CG-CB 3.98Å; C164-D208 PolarHBondContact O-N 2.91Å; H165-D208 WeakPolarHBondContact CA-O 3.3Å; H165-D208 IonicContact CD2-OD2 3.58Å; H165-D208 IonicContact NE2-OD2 2.71Å; L166-D208 PolarHBondContact N-O 2.8Å; D208-N210 PolarHBondContact O-N 3.41Å; D208-N210 WeakPolarHBondContact OD1-CA 3.45Å; D208-N210 PolarHBondContact OD1-N 3Å; D208-N210 PolarHBondContact OD1-ND2 3.38Å; D208-N210 PolarHBondContact OD2-ND2 3.49Å; D208-T284 CarbonylContact C-O 3.57Å; D208-T284 WeakPolarHBondContact OD1-CB 3.27Å; D208-H339 IonicContact OD2-CE1 2.76Å; D208-H339 PolarHBondContact OD2-CE1 2.93Å; D208-H339 IonicContact OD2-NE2 3.24Å
209	L	98.7	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.			trans	-69.5	-10.8	176.4	-78	70.2	0	0	0	111.5	L166 R176 F180 G207 F211 L239 T284 R286 L288	L166-L209 HydrophobicContact CD1-CB 4.27Å; L166-L209 HydrophobicContact CD1-CG 4.24Å; R176-L209 WeakPolarHBondContact CD-O 3.49Å; F180-L209 HydrophobicContact CE2-CD2 4.45Å; G207-L209 WeakPolarHBondContact O-CD1 3.34Å; G207-L209 PolarHBondContact O-N 3.22Å; L209-F211 HydrophobicContact CB-CD2 3.9Å; L209-F211 HydrophobicContact CB-CE2 4.3Å; L209-F211 HydrophobicContact CD2-CE2 4.48Å; L209-F211 PolarHBondContact O-N 2.64Å; L209-L239 HydrophobicContact CD2-CD2 3.86Å; L209-T284 PolarHBondContact N-O 3.36Å; L209-R286 HydrophobicContact CB-CG 4.26Å; L209-R286 HydrophobicContact CD1-CB 4Å; L209-R286 HydrophobicContact CD1-CG 4.49Å; L209-R286 HydrophobicContact CD2-CB 4.07Å; L209-R286 HydrophobicContact CD2-CG 4.3Å; L209-R286 HydrophobicContact CG-CB 4.46Å; L209-L288 HydrophobicContact CD2-CD1 3.54Å
210	N	98.3	Very high	94.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.151	C	C	.	.			trans	59.6	8.9	171.7	-101.8	-65.5	0	0	0	117.3	H165 L166 A167 R176 D208 R212 T284	H165-N210 PolarHBondContact CD2-ND2 2.63Å; H165-N210 PolarHBondContact NE2-ND2 2.73Å; L166-N210 PolarHBondContact O-ND2 2.95Å; L166-N210 VanDerWaalsContact O-ND2 3.15Å; A167-N210 WeakPolarHBondContact O-CB 3.2Å; R176-N210 VanDerWaalsContact CZ-O 3.29Å; R176-N210 PolarHBondContact NH1-O 2.68Å; D208-N210 PolarHBondContact O-N 3.41Å; D208-N210 WeakPolarHBondContact OD1-CA 3.45Å; D208-N210 PolarHBondContact OD1-N 3Å; D208-N210 PolarHBondContact OD1-ND2 3.38Å; D208-N210 PolarHBondContact OD2-ND2 3.49Å; N210-R212 VanDerWaalsContact O-CD 3.25Å; N210-R212 WeakPolarHBondContact O-CD 3.15Å; N210-R212 PolarHBondContact O-NE 2.94Å; N210-R212 PolarHBondContact OD1-NH2 3.01Å; N210-T284 PolarHBondContact N-O 2.75Å; N210-T284 VanDerWaalsContact N-O 3.14Å
211	F	98.3	Very high	94.7	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.151	C	C	.	.			trans	-63.1	145.4	171.1	-72.6	-78.8	0	0	0	111.5	R176 V177 L209 Q238 L239 M242	R176-F211 HydrophobicContact CB-CE1 3.89Å; R176-F211 HydrophobicContact CB-CE2 4.14Å; R176-F211 HydrophobicContact CB-CZ 3.6Å; R176-F211 VanDerWaalsContact NE-CD1 3.33Å; V177-F211 HydrophobicContact CG2-CE1 4.5Å; V177-F211 HydrophobicContact CG2-CZ 4.38Å; L209-F211 HydrophobicContact CB-CD2 3.9Å; L209-F211 HydrophobicContact CB-CE2 4.3Å; L209-F211 HydrophobicContact CD2-CE2 4.48Å; L209-F211 PolarHBondContact O-N 2.64Å; F211-Q238 HydrophobicContact CB-CB 4.19Å; F211-Q238 HydrophobicContact CD1-CB 3.67Å; F211-Q238 HydrophobicContact CG-CB 4.39Å; F211-L239 HydrophobicContact CB-CB 3.89Å; F211-L239 HydrophobicContact CD1-CB 4.28Å; F211-L239 HydrophobicContact CD2-CB 3.71Å; F211-L239 HydrophobicContact CD2-CD1 3.94Å; F211-L239 HydrophobicContact CD2-CD2 4.23Å; F211-L239 HydrophobicContact CD2-CG 4.17Å; F211-L239 HydrophobicContact CE2-CB 4.31Å; F211-L239 HydrophobicContact CE2-CD1 3.69Å; F211-L239 HydrophobicContact CE2-CG 4.42Å; F211-L239 HydrophobicContact CG-CB 3.7Å; F211-L239 HydrophobicContact CZ-CD1 4.13Å; F211-M242 HydrophobicContact CE1-CG 4.16Å
212	R	97.5	Very high	94.7	Very high	9 Å²	9	30.8 Å²	30.8	3%	0.034	16%	0.156	C	C	.	.			trans	-120.3	169.5	-171.6	-48.7	-56.6	177.1	97.2	-11.6	111.6	M170 N210 Q238 A282	M170-R212 HydrophobicContact CE-CB 3.52Å; M170-R212 HydrophobicContact CE-CG 4.13Å; M170-R212 HydrophobicContact SD-CB 3.49Å; M170-R212 WeakPolarHBondContact SD-CB 3.4Å; M170-R212 HydrophobicContact SD-CG 4.18Å; N210-R212 VanDerWaalsContact O-CD 3.25Å; N210-R212 WeakPolarHBondContact O-CD 3.15Å; N210-R212 PolarHBondContact O-NE 2.94Å; N210-R212 PolarHBondContact OD1-NH2 3.01Å; R212-Q238 WeakPolarHBondContact O-CB 3.36Å; R212-Q238 WeakPolarHBondContact O-CG 3.45Å; R212-Q238 PolarHBondContact O-N 3.35Å; R212-A282 HydrophobicContact CB-CB 4.38Å
213	I	96.8	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-89.7	113.8	170.7	-55.6	174.1	0	0	0	108.5	M170 V221 L233 K236 P261 K280 P281 W283	M170-I213 WeakPolarHBondContact CE-O 3.48Å; I213-V221 HydrophobicContact CD1-CG1 4.43Å; I213-V221 HydrophobicContact CG2-CG2 4.45Å; I213-L233 HydrophobicContact CD1-CB 4.29Å; I213-L233 HydrophobicContact CD1-CD1 4.12Å; I213-K236 CarbonylContact C-O 3.5Å; I213-K236 WeakPolarHBondContact CA-O 3.4Å; I213-K236 HydrophobicContact CG2-CB 4.12Å; I213-P261 HydrophobicContact CD1-CG 4.28Å; I213-K280 WeakPolarHBondContact O-CE 3.25Å; I213-K280 PolarHBondContact O-NZ 2.98Å; I213-P281 WeakPolarHBondContact CD1-O 3.44Å; I213-W283 HydrophobicContact CD1-CE3 3.7Å; I213-W283 HydrophobicContact CD1-CH2 4.39Å; I213-W283 HydrophobicContact CD1-CZ3 3.48Å; I213-W283 VanDerWaalsContact CD1-CZ3 3.48Å; I213-W283 HydrophobicContact CG1-CE3 4.04Å; I213-W283 HydrophobicContact CG1-CZ3 4.1Å
214	E	91.4	Very high	94.5	Very high	66 Å²	66	33.2 Å²	33.2	31%	0.308	17%	0.173	S	C	.	.			trans	-79	168.1	178.6	-170.4	162.6	-118.4	0	0	112.4	H216 K236 Q238 M241	E214-H216 PolarHBondContact O-N 2.88Å; E214-K236 PolarHBondContact N-O 2.87Å; E214-K236 WeakPolarHBondContact O-CB 3.24Å; E214-Q238 HydrophobicContact CB-CG 4.19Å; E214-M241 WeakPolarHBondContact OE2-CE 2.87Å
215	D	79	Confident	94.4	Very high	109 Å²	109	33.4 Å²	33.4	58%	0.583	17%	0.174	S	C	*	.	S	Bend	trans	56.7	-23.7	166.4	-66.8	-23.4	0	0	0	120.5	K236	D215-K236 HydrophobicContact CB-CD 3.99Å; D215-K236 HydrophobicContact CB-CG 4.46Å; D215-K236 WeakPolarHBondContact OD2-CE 3.25Å; D215-K236 IonicContact OD2-NZ 2.81Å; D215-K236 PolarHBondContact OD2-NZ 3.11Å
216	H	81.8	Confident	94.2	Very high	40 Å²	40	39.7 Å²	39.7	19%	0.185	21%	0.208	C	C	.	.			trans	-82.9	133.4	175.8	-68.6	-53	0	0	0	111	E214 F220 V221 K236 K280	E214-H216 PolarHBondContact O-N 2.88Å; H216-F220 HydrophobicContact CB-CD1 3.81Å; H216-F220 AromaticContact CD2-CE1 3.91Å; H216-F220 AromaticContact CE1-CD1 3.76Å; H216-F220 AromaticContact CE1-CE1 3.32Å; H216-F220 WeakPolarHBondContact CE1-CE1 3.41Å; H216-F220 AromaticContact CE1-CZ 3.92Å; H216-F220 AromaticContact CG-CD1 3.43Å; H216-F220 VanDerWaalsContact CG-CD1 3.43Å; H216-F220 AromaticContact CG-CE1 3.73Å; H216-F220 AromaticContact ND1-CD1 3.27Å; H216-F220 VanDerWaalsContact ND1-CD1 3.27Å; H216-F220 WeakPolarHBondContact ND1-CD1 3.38Å; H216-F220 AromaticContact ND1-CE1 3.36Å; H216-F220 WeakPolarHBondContact ND1-CE1 3.4Å; H216-F220 AromaticContact ND1-CG 3.99Å; H216-F220 AromaticContact NE2-CE1 3.65Å; H216-V221 HydrophobicContact CB-CG2 3.53Å; H216-K236 WeakPolarHBondContact NE2-CG 3.28Å; H216-K280 WeakPolarHBondContact O-CD 3.44Å; H216-K280 PolarHBondContact O-NZ 3.42Å
217	G	88.9	Confident	94.1	Very high	47 Å²	47	42.1 Å²	42.1	49%	0.485	23%	0.232	S	C	.	.			trans	-65.9	151.9	167.6	0	0	0	0	0	111.4	H219 F220 V221	G217-H219 PolarHBondContact O-N 3.07Å; G217-H219 VanDerWaalsContact O-N 3.12Å; G217-F220 PolarHBondContact O-N 3.09Å; G217-V221 PolarHBondContact O-N 3.23Å
218	L	90.6	Very high	93.9	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-52.7	-38.6	-176	-178.8	63.2	0	0	0	113.2	V221 R222 K278 K280	L218-V221 PolarHBondContact O-N 3.37Å; L218-R222 HydrophobicContact CD1-CG 4.33Å; L218-R222 WeakPolarHBondContact O-CB 2.96Å; L218-R222 WeakPolarHBondContact O-CG 3.06Å; L218-R222 PolarHBondContact O-N 3.32Å; L218-K278 HydrophobicContact CD2-CB 3.94Å; L218-K280 HydrophobicContact CD1-CB 4.28Å
219	H	92	Very high	93.8	Very high	160 Å²	160	50.6 Å²	50.6	74%	0.741	28%	0.282	S	S	*	.	H	α-helix	trans	-63.8	-43.5	179	-177.4	-92.7	0	0	0	112.5	G217 R222 S223	G217-H219 PolarHBondContact O-N 3.07Å; G217-H219 VanDerWaalsContact O-N 3.12Å; H219-R222 PolarHBondContact O-N 2.94Å; H219-S223 WeakPolarHBondContact O-CB 3.44Å; H219-S223 PolarHBondContact O-N 3.07Å
220	F	95.1	Very high	93.7	Very high	84 Å²	84	51.5 Å²	51.5	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-47.9	177.5	-178.3	-90.3	0	0	0	110.6	H216 G217 R222 S223 S224 L232 L233	H216-F220 HydrophobicContact CB-CD1 3.81Å; H216-F220 AromaticContact CD2-CE1 3.91Å; H216-F220 AromaticContact CE1-CD1 3.76Å; H216-F220 AromaticContact CE1-CE1 3.32Å; H216-F220 WeakPolarHBondContact CE1-CE1 3.41Å; H216-F220 AromaticContact CE1-CZ 3.92Å; H216-F220 AromaticContact CG-CD1 3.43Å; H216-F220 VanDerWaalsContact CG-CD1 3.43Å; H216-F220 AromaticContact CG-CE1 3.73Å; H216-F220 AromaticContact ND1-CD1 3.27Å; H216-F220 VanDerWaalsContact ND1-CD1 3.27Å; H216-F220 WeakPolarHBondContact ND1-CD1 3.38Å; H216-F220 AromaticContact ND1-CE1 3.36Å; H216-F220 WeakPolarHBondContact ND1-CE1 3.4Å; H216-F220 AromaticContact ND1-CG 3.99Å; H216-F220 AromaticContact NE2-CE1 3.65Å; G217-F220 PolarHBondContact O-N 3.09Å; F220-R222 PolarHBondContact O-N 3.01Å; F220-S223 PolarHBondContact O-N 3.38Å; F220-S224 PolarHBondContact O-N 2.75Å; F220-S224 PolarHBondContact O-OG 2.86Å; F220-L232 HydrophobicContact CZ-CB 4.48Å; F220-L233 HydrophobicContact CD1-CD2 4.1Å; F220-L233 HydrophobicContact CE1-CD2 3.91Å
221	V	95.4	Very high	93.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57	-49.1	178	175.3	0	0	0	0	111.3	I213 H216 G217 L218 S223 S224 I225 L233 K280 P281	I213-V221 HydrophobicContact CD1-CG1 4.43Å; I213-V221 HydrophobicContact CG2-CG2 4.45Å; H216-V221 HydrophobicContact CB-CG2 3.53Å; G217-V221 PolarHBondContact O-N 3.23Å; L218-V221 PolarHBondContact O-N 3.37Å; V221-S223 PolarHBondContact O-N 3.33Å; V221-S224 PolarHBondContact O-N 3.3Å; V221-I225 HydrophobicContact CG1-CD1 3.68Å; V221-I225 HydrophobicContact CG1-CG1 4.45Å; V221-I225 WeakPolarHBondContact O-CD1 3.39Å; V221-I225 VanDerWaalsContact O-CG1 3.25Å; V221-I225 WeakPolarHBondContact O-CG1 3.32Å; V221-I225 PolarHBondContact O-N 2.96Å; V221-L233 HydrophobicContact CG1-CD1 4.31Å; V221-L233 HydrophobicContact CG2-CD2 4.21Å; V221-K280 HydrophobicContact CB-CG 4.42Å; V221-K280 HydrophobicContact CG1-CG 4.31Å; V221-K280 HydrophobicContact CG2-CD 3.72Å; V221-K280 HydrophobicContact CG2-CG 4.1Å; V221-P281 HydrophobicContact CG1-CB 4.12Å; V221-P281 HydrophobicContact CG1-CG 4.19Å
222	R	94	Very high	93.4	Very high	80 Å²	80	58.9 Å²	58.9	30%	0.302	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.8	-73.6	-178.8	174.9	-174.6	-3	112.5	L218 H219 F220 I225 N226 D273	L218-R222 HydrophobicContact CD1-CG 4.33Å; L218-R222 WeakPolarHBondContact O-CB 2.96Å; L218-R222 WeakPolarHBondContact O-CG 3.06Å; L218-R222 PolarHBondContact O-N 3.32Å; H219-R222 PolarHBondContact O-N 2.94Å; F220-R222 PolarHBondContact O-N 3.01Å; R222-I225 PolarHBondContact O-N 2.89Å; R222-N226 WeakPolarHBondContact O-CB 3.17Å; R222-N226 PolarHBondContact O-N 3.37Å; R222-N226 PolarHBondContact O-ND2 3.42Å; R222-D273 PolarHBondContact NH2-O 2.83Å; R222-D273 VanDerWaalsContact NH2-O 3.1Å
223	S	95.8	Very high	93.4	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-40.4	177.5	-176.3	0	0	0	0	112.4	H219 F220 V221 G227	H219-S223 WeakPolarHBondContact O-CB 3.44Å; H219-S223 PolarHBondContact O-N 3.07Å; F220-S223 PolarHBondContact O-N 3.38Å; V221-S223 PolarHBondContact O-N 3.33Å; S223-G227 PolarHBondContact O-N 3.08Å
224	S	96.7	Very high	93.4	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-44.4	175.7	-62.9	0	0	0	0	111.8	F220 V221 G227 G228 R229	F220-S224 PolarHBondContact O-N 2.75Å; F220-S224 PolarHBondContact O-OG 2.86Å; V221-S224 PolarHBondContact O-N 3.3Å; S224-G227 PolarHBondContact O-N 2.93Å; S224-G228 PolarHBondContact O-N 2.94Å; S224-R229 PolarHBondContact O-N 2.89Å
225	I	96	Very high	93.5	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-49.3	176.7	-64.8	163.5	0	0	0	111	V221 R222 G227 G228 L230 L233 K260 P261 Y272 P281	V221-I225 HydrophobicContact CG1-CD1 3.68Å; V221-I225 HydrophobicContact CG1-CG1 4.45Å; V221-I225 WeakPolarHBondContact O-CD1 3.39Å; V221-I225 VanDerWaalsContact O-CG1 3.25Å; V221-I225 WeakPolarHBondContact O-CG1 3.32Å; V221-I225 PolarHBondContact O-N 2.96Å; R222-I225 PolarHBondContact O-N 2.89Å; I225-G227 VanDerWaalsContact C-N 3.28Å; I225-G227 PolarHBondContact O-N 2.9Å; I225-G228 PolarHBondContact O-N 3.1Å; I225-G228 VanDerWaalsContact O-N 3.1Å; I225-L230 HydrophobicContact CG1-CD2 4.27Å; I225-L233 HydrophobicContact CG1-CD1 4.08Å; I225-K260 HydrophobicContact CG2-CB 4.38Å; I225-K260 HydrophobicContact CG2-CD 4.12Å; I225-K260 HydrophobicContact CG2-CG 4.15Å; I225-P261 HydrophobicContact CD1-CG 3.75Å; I225-P261 HydrophobicContact CG1-CG 4.07Å; I225-Y272 HydrophobicContact CD1-CE2 4.22Å; I225-Y272 HydrophobicContact CG2-CE2 4.02Å; I225-P281 HydrophobicContact CD1-CB 3.66Å; I225-P281 HydrophobicContact CD1-CG 3.92Å
226	N	95.6	Very high	94.4	Very high	132 Å²	132	59.9 Å²	59.9	71%	0.706	33%	0.331	S	S	*	.	H	α-helix	trans	-65.8	-32.1	-178.5	-70.2	-11.2	0	0	0	112.5	R222 G228	R222-N226 WeakPolarHBondContact O-CB 3.17Å; R222-N226 PolarHBondContact O-N 3.37Å; R222-N226 PolarHBondContact O-ND2 3.42Å; N226-G228 VanDerWaalsContact C-N 3.3Å
227	G	96.3	Very high	95.2	Very high	50 Å²	50	58 Å²	58	52%	0.515	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.3	175.2	0	0	0	0	0	114.7	S223 S224 I225 R229	S223-G227 PolarHBondContact O-N 3.08Å; S224-G227 PolarHBondContact O-N 2.93Å; I225-G227 VanDerWaalsContact C-N 3.28Å; I225-G227 PolarHBondContact O-N 2.9Å; G227-R229 PolarHBondContact O-N 2.84Å
228	G	96	Very high	95.6	Very high	58 Å²	58	55.9 Å²	55.9	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	12	-177	0	0	0	0	0	114.8	S224 I225 N226 L230	S224-G228 PolarHBondContact O-N 2.94Å; I225-G228 PolarHBondContact O-N 3.1Å; I225-G228 VanDerWaalsContact O-N 3.1Å; N226-G228 VanDerWaalsContact C-N 3.3Å; G228-L230 VanDerWaalsContact C-N 3.29Å; G228-L230 PolarHBondContact O-N 3.43Å; G228-L230 VanDerWaalsContact O-N 3.16Å
229	R	96.3	Very high	96	Very high	122 Å²	122	53.7 Å²	53.7	46%	0.46	29%	0.289	S	S	.	.			trans	-92.5	57.4	-176.5	-64.4	177.7	-65.2	173.3	0.4	110.7	S224 G227 N231 L232	S224-R229 PolarHBondContact O-N 2.89Å; G227-R229 PolarHBondContact O-N 2.84Å; R229-N231 VanDerWaalsContact C-N 3.29Å; R229-N231 PolarHBondContact O-N 2.9Å; R229-L232 HydrophobicContact CB-CD1 3.75Å; R229-L232 HydrophobicContact CB-CG 4.05Å; R229-L232 WeakPolarHBondContact O-CB 3.41Å; R229-L232 PolarHBondContact O-N 3.41Å
230	L	96.4	Very high	96.3	Very high	18 Å²	18	48 Å²	48	9%	0.094	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-33.4	-174.3	-59.8	180	0	0	0	112.6	I225 G228 L232 L233 F259 W283	I225-L230 HydrophobicContact CG1-CD2 4.27Å; G228-L230 VanDerWaalsContact C-N 3.29Å; G228-L230 PolarHBondContact O-N 3.43Å; G228-L230 VanDerWaalsContact O-N 3.16Å; L230-L232 PolarHBondContact O-N 2.8Å; L230-L232 VanDerWaalsContact O-N 3.09Å; L230-L233 WeakPolarHBondContact O-CB 3.46Å; L230-L233 PolarHBondContact O-N 2.72Å; L230-F259 WeakPolarHBondContact CD1-O 3.38Å; L230-W283 HydrophobicContact CB-CH2 4.35Å; L230-W283 HydrophobicContact CB-CZ2 4.26Å; L230-W283 HydrophobicContact CD1-CZ2 4.43Å; L230-W283 HydrophobicContact CD2-CH2 4.49Å; L230-W283 HydrophobicContact CD2-CZ2 4.16Å
231	N	95.2	Very high	96.4	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	25%	0.253	S	S	.	.	H	α-helix	trans	-55.7	-26.9	177.3	66.9	-46.6	0	0	0	114	R229 L233 W234	R229-N231 VanDerWaalsContact C-N 3.29Å; R229-N231 PolarHBondContact O-N 2.9Å; N231-L233 PolarHBondContact O-N 3.45Å; N231-W234 HydrophobicContact CB-CD2 4.15Å; N231-W234 HydrophobicContact CB-CE3 3.93Å; N231-W234 HydrophobicContact CB-CH2 4Å; N231-W234 HydrophobicContact CB-CZ2 4.2Å; N231-W234 HydrophobicContact CB-CZ3 3.85Å; N231-W234 PolarHBondContact O-N 2.69Å
232	L	95.4	Very high	96.5	Very high	69 Å²	69	46.1 Å²	46.1	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-16	175.5	-61	-177	0	0	0	113.4	F220 R229 L230	F220-L232 HydrophobicContact CZ-CB 4.48Å; R229-L232 HydrophobicContact CB-CD1 3.75Å; R229-L232 HydrophobicContact CB-CG 4.05Å; R229-L232 WeakPolarHBondContact O-CB 3.41Å; R229-L232 PolarHBondContact O-N 3.41Å; L230-L232 PolarHBondContact O-N 2.8Å; L230-L232 VanDerWaalsContact O-N 3.09Å
233	L	96.8	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-99.2	-19.9	-177	-54.8	177.7	0	0	0	112.7	I213 F220 V221 I225 L230 N231 S235 K236 D237 W283	I213-L233 HydrophobicContact CD1-CB 4.29Å; I213-L233 HydrophobicContact CD1-CD1 4.12Å; F220-L233 HydrophobicContact CD1-CD2 4.1Å; F220-L233 HydrophobicContact CE1-CD2 3.91Å; V221-L233 HydrophobicContact CG1-CD1 4.31Å; V221-L233 HydrophobicContact CG2-CD2 4.21Å; I225-L233 HydrophobicContact CG1-CD1 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.46Å; L230-L233 PolarHBondContact O-N 2.72Å; N231-L233 PolarHBondContact O-N 3.45Å; L233-S235 VanDerWaalsContact C-N 3.34Å; L233-S235 PolarHBondContact O-N 3.36Å; L233-K236 CarbonylContact O-C 3.55Å; L233-K236 PolarHBondContact O-N 2.99Å; L233-D237 PolarHBondContact O-N 3.09Å; L233-W283 HydrophobicContact CB-CH2 3.91Å; L233-W283 HydrophobicContact CB-CZ3 3.8Å; L233-W283 HydrophobicContact CD1-CH2 3.95Å; L233-W283 HydrophobicContact CD1-CZ3 4.3Å
234	W	96	Very high	96.7	Very high	78 Å²	78	48.8 Å²	48.8	30%	0.295	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-37.3	-172.2	-63.2	-18.5	0	0	0	113.7	N231 K236 D237 I240 L257	N231-W234 HydrophobicContact CB-CD2 4.15Å; N231-W234 HydrophobicContact CB-CE3 3.93Å; N231-W234 HydrophobicContact CB-CH2 4Å; N231-W234 HydrophobicContact CB-CZ2 4.2Å; N231-W234 HydrophobicContact CB-CZ3 3.85Å; N231-W234 PolarHBondContact O-N 2.69Å; W234-K236 PolarHBondContact O-N 2.81Å; W234-K236 VanDerWaalsContact O-N 3.1Å; W234-D237 WeakPolarHBondContact O-CB 3.38Å; W234-D237 PolarHBondContact O-N 3.32Å; W234-D237 VanDerWaalsContact O-N 3.09Å; W234-I240 HydrophobicContact CB-CD1 3.94Å; W234-I240 HydrophobicContact CG-CD1 4.36Å; W234-L257 PolarHBondContact NE1-O 2.9Å
235	S	95.1	Very high	96.7	Very high	69 Å²	69	54.9 Å²	54.9	48%	0.483	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.2	178.7	63	0	0	0	0	113.5	L233 M241	L233-S235 VanDerWaalsContact C-N 3.34Å; L233-S235 PolarHBondContact O-N 3.36Å; S235-M241 WeakPolarHBondContact O-CG 3.47Å
236	K	96.6	Very high	96.7	Very high	58 Å²	58	57.3 Å²	57.3	25%	0.252	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	3.4	177.2	-60.7	-55	-173.8	171.8	0	113.2	I213 E214 D215 H216 L233 W234 Q238	I213-K236 CarbonylContact C-O 3.5Å; I213-K236 WeakPolarHBondContact CA-O 3.4Å; I213-K236 HydrophobicContact CG2-CB 4.12Å; E214-K236 PolarHBondContact N-O 2.87Å; E214-K236 WeakPolarHBondContact O-CB 3.24Å; D215-K236 HydrophobicContact CB-CD 3.99Å; D215-K236 HydrophobicContact CB-CG 4.46Å; D215-K236 WeakPolarHBondContact OD2-CE 3.25Å; D215-K236 IonicContact OD2-NZ 2.81Å; D215-K236 PolarHBondContact OD2-NZ 3.11Å; H216-K236 WeakPolarHBondContact NE2-CG 3.28Å; L233-K236 CarbonylContact O-C 3.55Å; L233-K236 PolarHBondContact O-N 2.99Å; W234-K236 PolarHBondContact O-N 2.81Å; W234-K236 VanDerWaalsContact O-N 3.1Å; K236-Q238 PolarHBondContact O-N 2.61Å
237	D	98.1	Very high	96.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-70.9	121.3	169.3	-179.9	-103.7	0	0	0	109.1	L233 W234 L239 I240 M241 R286	L233-D237 PolarHBondContact O-N 3.09Å; W234-D237 WeakPolarHBondContact O-CB 3.38Å; W234-D237 PolarHBondContact O-N 3.32Å; W234-D237 VanDerWaalsContact O-N 3.09Å; D237-L239 VanDerWaalsContact C-N 3.29Å; D237-L239 PolarHBondContact O-N 3.12Å; D237-L239 PolarHBondContact OD1-N 3.03Å; D237-I240 HydrophobicContact CB-CB 4.15Å; D237-I240 HydrophobicContact CB-CD1 3.97Å; D237-I240 HydrophobicContact CB-CG1 4.14Å; D237-I240 PolarHBondContact O-N 2.89Å; D237-I240 WeakPolarHBondContact OD1-CG1 3.37Å; D237-I240 PolarHBondContact OD1-N 3.12Å; D237-I240 VanDerWaalsContact OD1-N 3.13Å; D237-M241 VanDerWaalsContact O-CG 3.28Å; D237-M241 WeakPolarHBondContact O-CG 3.39Å; D237-M241 PolarHBondContact O-N 2.82Å; D237-R286 IonicContact OD1-CZ 2.66Å; D237-R286 IonicContact OD1-NH1 2.65Å; D237-R286 PolarHBondContact OD1-NH1 3.41Å; D237-R286 IonicContact OD1-NH2 3.38Å; D237-R286 PolarHBondContact OD1-NH2 2.89Å; D237-R286 IonicContact OD2-NH1 3.13Å; D237-R286 PolarHBondContact OD2-NH1 2.98Å; D237-R286 VanDerWaalsContact OD2-NH1 3.15Å
238	Q	98.4	Very high	96.7	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.014	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-34	-172.5	-74.8	170.3	-25.5	0	0	112.7	M170 A173 F211 R212 E214 K236 M241 M242	M170-Q238 PolarHBondContact O-NE2 3.06Å; A173-Q238 HydrophobicContact CB-CB 4.32Å; A173-Q238 HydrophobicContact CB-CG 4.2Å; F211-Q238 HydrophobicContact CB-CB 4.19Å; F211-Q238 HydrophobicContact CD1-CB 3.67Å; F211-Q238 HydrophobicContact CG-CB 4.39Å; R212-Q238 WeakPolarHBondContact O-CB 3.36Å; R212-Q238 WeakPolarHBondContact O-CG 3.45Å; R212-Q238 PolarHBondContact O-N 3.35Å; E214-Q238 HydrophobicContact CB-CG 4.19Å; K236-Q238 PolarHBondContact O-N 2.61Å; Q238-M241 PolarHBondContact O-N 2.84Å; Q238-M242 WeakPolarHBondContact O-CB 3.4Å; Q238-M242 VanDerWaalsContact O-CG 3.26Å; Q238-M242 WeakPolarHBondContact O-CG 3.43Å; Q238-M242 PolarHBondContact O-N 3.11Å
239	L	98.6	Very high	96.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.5	-47.3	176.6	-179.1	53.6	0	0	0	110.6	L209 F211 D237 M241 M242 K243 R286 L288	L209-L239 HydrophobicContact CD2-CD2 3.86Å; F211-L239 HydrophobicContact CB-CB 3.89Å; F211-L239 HydrophobicContact CD1-CB 4.28Å; F211-L239 HydrophobicContact CD2-CB 3.71Å; F211-L239 HydrophobicContact CD2-CD1 3.94Å; F211-L239 HydrophobicContact CD2-CD2 4.23Å; F211-L239 HydrophobicContact CD2-CG 4.17Å; F211-L239 HydrophobicContact CE2-CB 4.31Å; F211-L239 HydrophobicContact CE2-CD1 3.69Å; F211-L239 HydrophobicContact CE2-CG 4.42Å; F211-L239 HydrophobicContact CG-CB 3.7Å; F211-L239 HydrophobicContact CZ-CD1 4.13Å; D237-L239 VanDerWaalsContact C-N 3.29Å; D237-L239 PolarHBondContact O-N 3.12Å; D237-L239 PolarHBondContact OD1-N 3.03Å; L239-M241 PolarHBondContact O-N 2.8Å; L239-M242 PolarHBondContact O-N 2.91Å; L239-M242 VanDerWaalsContact O-N 3.15Å; L239-K243 HydrophobicContact CD1-CD 4.45Å; L239-K243 HydrophobicContact CD1-CG 4.18Å; L239-K243 HydrophobicContact CG-CD 4.39Å; L239-K243 WeakPolarHBondContact O-CG 3.36Å; L239-K243 PolarHBondContact O-N 3.48Å; L239-R286 HydrophobicContact CD2-CB 4.45Å; L239-R286 HydrophobicContact CD2-CG 4.08Å; L239-L288 HydrophobicContact CD2-CD1 4.28Å; L239-L288 HydrophobicContact CD2-CD2 4.29Å
240	I	97.9	Very high	96.7	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.205	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-38.7	174.7	-67.5	175.9	0	0	0	111.3	W234 D237 K244 L257	W234-I240 HydrophobicContact CB-CD1 3.94Å; W234-I240 HydrophobicContact CG-CD1 4.36Å; D237-I240 HydrophobicContact CB-CB 4.15Å; D237-I240 HydrophobicContact CB-CD1 3.97Å; D237-I240 HydrophobicContact CB-CG1 4.14Å; D237-I240 PolarHBondContact O-N 2.89Å; D237-I240 WeakPolarHBondContact OD1-CG1 3.37Å; D237-I240 PolarHBondContact OD1-N 3.12Å; D237-I240 VanDerWaalsContact OD1-N 3.13Å; I240-K244 WeakPolarHBondContact O-CG 3.2Å; I240-L257 HydrophobicContact CD1-CD1 4.14Å
241	M	97.8	Very high	96.7	Very high	31 Å²	31	54.4 Å²	54.4	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-42.5	176.7	-68.6	171.4	61.5	0	0	112.5	E214 S235 D237 Q238 L239 K244	E214-M241 WeakPolarHBondContact OE2-CE 2.87Å; S235-M241 WeakPolarHBondContact O-CG 3.47Å; D237-M241 VanDerWaalsContact O-CG 3.28Å; D237-M241 WeakPolarHBondContact O-CG 3.39Å; D237-M241 PolarHBondContact O-N 2.82Å; Q238-M241 PolarHBondContact O-N 2.84Å; L239-M241 PolarHBondContact O-N 2.8Å; M241-K244 PolarHBondContact O-N 2.9Å
242	M	97.6	Very high	96.8	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-38.1	179.7	-66.4	-46.3	178.6	0	0	111.9	A173 L174 V177 F211 Q238 L239 K244 K245 E246 L249	A173-M242 HydrophobicContact CB-CE 3.55Å; L174-M242 HydrophobicContact CD2-CE 3.8Å; L174-M242 HydrophobicContact CD2-SD 4.29Å; L174-M242 HydrophobicContact CG-CE 4.3Å; V177-M242 HydrophobicContact CG2-CB 3.9Å; V177-M242 HydrophobicContact CG2-CG 3.7Å; V177-M242 HydrophobicContact CG2-SD 4.37Å; F211-M242 HydrophobicContact CE1-CG 4.16Å; Q238-M242 WeakPolarHBondContact O-CB 3.4Å; Q238-M242 VanDerWaalsContact O-CG 3.26Å; Q238-M242 WeakPolarHBondContact O-CG 3.43Å; Q238-M242 PolarHBondContact O-N 3.11Å; L239-M242 PolarHBondContact O-N 2.91Å; L239-M242 VanDerWaalsContact O-N 3.15Å; M242-K244 PolarHBondContact O-N 3.19Å; M242-K244 VanDerWaalsContact O-N 3.13Å; M242-K245 PolarHBondContact O-N 2.79Å; M242-K245 HydrophobicContact SD-CD 4.22Å; M242-E246 PolarHBondContact O-N 2.83Å; M242-L249 HydrophobicContact CB-CD1 3.94Å
243	K	97.5	Very high	97	Very high	35 Å²	35	51 Å²	51	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-54.6	-33.8	172.1	-71.7	-176.6	75.4	165.7	0	112.5	L239 K245 L249 Q250 F252	L239-K243 HydrophobicContact CD1-CD 4.45Å; L239-K243 HydrophobicContact CD1-CG 4.18Å; L239-K243 HydrophobicContact CG-CD 4.39Å; L239-K243 WeakPolarHBondContact O-CG 3.36Å; L239-K243 PolarHBondContact O-N 3.48Å; K243-K245 VanDerWaalsContact C-N 3.29Å; K243-K245 PolarHBondContact O-N 3.1Å; K243-L249 VanDerWaalsContact CE-O 3.29Å; K243-L249 WeakPolarHBondContact CE-O 3.33Å; K243-L249 HydrophobicContact CG-CB 4.02Å; K243-Q250 WeakPolarHBondContact O-CG 3.33Å; K243-Q250 PolarHBondContact O-NE2 3.04Å; K243-Q250 VanDerWaalsContact O-NE2 3.1Å; K243-F252 WeakPolarHBondContact CE-O 3.49Å; K243-F252 PolarHBondContact NZ-O 3.48Å
244	K	96.6	Very high	97.1	Very high	152 Å²	152	52.6 Å²	52.6	66%	0.661	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.7	176.6	-66.6	176.6	-175.4	-177	0	114.1	I240 M241 M242	I240-K244 WeakPolarHBondContact O-CG 3.2Å; M241-K244 PolarHBondContact O-N 2.9Å; M242-K244 PolarHBondContact O-N 3.19Å; M242-K244 VanDerWaalsContact O-N 3.13Å
245	K	96.4	Very high	97.1	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-39	-174.1	-66.8	177.8	-179	-179.7	0	112.2	M242 K243	M242-K245 PolarHBondContact O-N 2.79Å; M242-K245 HydrophobicContact SD-CD 4.22Å; K243-K245 VanDerWaalsContact C-N 3.29Å; K243-K245 PolarHBondContact O-N 3.1Å
246	E	97.3	Very high	97.1	Very high	55 Å²	55	49.9 Å²	49.9	26%	0.257	25%	0.249	S	C	.	.			trans	-101.4	115.4	-172	-52	-54.7	148.7	0	0	110.3	V177 M242 F248 L249	V177-E246 HydrophobicContact CG1-CG 3.8Å; V177-E246 HydrophobicContact CG2-CG 4.47Å; M242-E246 PolarHBondContact O-N 2.83Å; E246-F248 HydrophobicContact CB-CD1 4.2Å; E246-F248 HydrophobicContact CB-CE1 4.01Å; E246-F248 PolarHBondContact O-N 3.41Å; E246-L249 HydrophobicContact CB-CB 4.23Å; E246-L249 HydrophobicContact CB-CD1 3.93Å; E246-L249 HydrophobicContact CB-CG 4.07Å; E246-L249 HydrophobicContact CG-CD1 4.16Å; E246-L249 PolarHBondContact O-N 3.43Å
247	P	95.4	Very high	97.2	Very high	91 Å²	91	47.3 Å²	47.3	59%	0.591	24%	0.238	S	C	*	.	H	α-helix	trans	-58.4	-43.7	-176.5	-27.9	36.3	0	0	0	114.2	L249 Q250	P247-L249 PolarHBondContact O-N 3.05Å; P247-Q250 VanDerWaalsContact O-CB 3.25Å; P247-Q250 WeakPolarHBondContact O-CB 3.5Å; P247-Q250 PolarHBondContact O-N 3.37Å
248	F	94.8	Very high	97.1	Very high	32 Å²	32	52.6 Å²	52.6	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-29.6	-178	79.6	-92.3	0	0	0	112.6	V177 F180 E181 L184 E246 Q250 E251	V177-F248 HydrophobicContact CG1-CE1 3.84Å; V177-F248 HydrophobicContact CG1-CZ 3.78Å; F180-F248 HydrophobicContact CB-CE2 4.35Å; F180-F248 HydrophobicContact CD1-CD2 4.5Å; F180-F248 AromaticContact CD1-CE2 3.71Å; F180-F248 HydrophobicContact CD1-CE2 3.71Å; F180-F248 HydrophobicContact CE1-CE2 4.32Å; F180-F248 HydrophobicContact CG-CE2 4.19Å; E181-F248 HydrophobicContact CB-CE1 4.23Å; E181-F248 HydrophobicContact CB-CE2 4.33Å; E181-F248 HydrophobicContact CB-CZ 3.88Å; L184-F248 HydrophobicContact CD1-CD2 3.94Å; L184-F248 HydrophobicContact CD1-CE2 4.22Å; E246-F248 HydrophobicContact CB-CD1 4.2Å; E246-F248 HydrophobicContact CB-CE1 4.01Å; E246-F248 PolarHBondContact O-N 3.41Å; F248-Q250 VanDerWaalsContact C-N 3.26Å; F248-Q250 PolarHBondContact O-N 2.99Å; F248-E251 PolarHBondContact O-N 2.99Å
249	L	96.8	Very high	97.1	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-74	-17.5	175.2	-69.4	-178	0	0	0	112.8	V177 F180 M242 K243 E246 P247 E251 F252	V177-L249 HydrophobicContact CG1-CD1 4.49Å; V177-L249 HydrophobicContact CG2-CD1 4.21Å; F180-L249 HydrophobicContact CD1-CD2 4.14Å; F180-L249 HydrophobicContact CD2-CD2 3.95Å; F180-L249 HydrophobicContact CE1-CD2 4.18Å; F180-L249 HydrophobicContact CE2-CD2 3.98Å; F180-L249 HydrophobicContact CG-CD2 4.03Å; F180-L249 HydrophobicContact CZ-CD2 4.1Å; M242-L249 HydrophobicContact CB-CD1 3.94Å; K243-L249 VanDerWaalsContact CE-O 3.29Å; K243-L249 WeakPolarHBondContact CE-O 3.33Å; K243-L249 HydrophobicContact CG-CB 4.02Å; E246-L249 HydrophobicContact CB-CB 4.23Å; E246-L249 HydrophobicContact CB-CD1 3.93Å; E246-L249 HydrophobicContact CB-CG 4.07Å; E246-L249 HydrophobicContact CG-CD1 4.16Å; E246-L249 PolarHBondContact O-N 3.43Å; P247-L249 PolarHBondContact O-N 3.05Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-F252 PolarHBondContact O-N 3.42Å
250	Q	96.5	Very high	97	Very high	113 Å²	113	57.9 Å²	57.9	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-75.4	-21.7	175.5	-62.5	175.9	19.8	0	0	112.3	K243 P247 F248 F252	K243-Q250 WeakPolarHBondContact O-CG 3.33Å; K243-Q250 PolarHBondContact O-NE2 3.04Å; K243-Q250 VanDerWaalsContact O-NE2 3.1Å; P247-Q250 VanDerWaalsContact O-CB 3.25Å; P247-Q250 WeakPolarHBondContact O-CB 3.5Å; P247-Q250 PolarHBondContact O-N 3.37Å; F248-Q250 VanDerWaalsContact C-N 3.26Å; F248-Q250 PolarHBondContact O-N 2.99Å; Q250-F252 PolarHBondContact O-N 3.32Å
251	E	96.2	Very high	97	Very high	81 Å²	81	56 Å²	56	38%	0.379	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.3	174.3	-63.8	-177.5	-124.5	0	0	113.1	F248 L249 R290	F248-E251 PolarHBondContact O-N 2.99Å; L249-E251 VanDerWaalsContact C-N 3.31Å; E251-R290 HydrophobicContact CB-CG 4.35Å; E251-R290 WeakPolarHBondContact O-CB 3.24Å; E251-R290 WeakPolarHBondContact O-CG 3.32Å; E251-R290 IonicContact OE2-CZ 2.67Å; E251-R290 VanDerWaalsContact OE2-CZ 3.3Å; E251-R290 IonicContact OE2-NE 3.37Å; E251-R290 PolarHBondContact OE2-NE 3.2Å; E251-R290 IonicContact OE2-NH2 3.45Å; E251-R290 PolarHBondContact OE2-NH2 3.11Å
252	F	98.1	Very high	97.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	27%	0.272	C	S	.	.	S	Bend	trans	-94.8	127.8	175.6	-72.8	-94.5	0	0	0	110.1	F180 L184 L198 V203 W205 K243 L249 Q250 L288 W289 R290	F180-F252 HydrophobicContact CE1-CD2 4.39Å; F180-F252 AromaticContact CE1-CE2 3.92Å; F180-F252 HydrophobicContact CE1-CE2 3.92Å; F180-F252 HydrophobicContact CE1-CZ 4.05Å; F180-F252 HydrophobicContact CZ-CD2 4.32Å; F180-F252 HydrophobicContact CZ-CE1 4.41Å; F180-F252 HydrophobicContact CZ-CE2 4.2Å; F180-F252 HydrophobicContact CZ-CG 4.49Å; F180-F252 HydrophobicContact CZ-CZ 4.25Å; L184-F252 HydrophobicContact CD1-CE2 4.18Å; L184-F252 HydrophobicContact CD1-CZ 4.47Å; L184-F252 HydrophobicContact CD2-CZ 4.15Å; L198-F252 HydrophobicContact CD2-CZ 4.39Å; V203-F252 HydrophobicContact CB-CE1 4.5Å; V203-F252 HydrophobicContact CG1-CE1 4.11Å; V203-F252 HydrophobicContact CG1-CZ 4.44Å; W205-F252 HydrophobicContact CB-CD1 4.23Å; W205-F252 HydrophobicContact CB-CE1 3.88Å; K243-F252 WeakPolarHBondContact CE-O 3.49Å; K243-F252 PolarHBondContact NZ-O 3.48Å; L249-F252 PolarHBondContact O-N 3.42Å; Q250-F252 PolarHBondContact O-N 3.32Å; F252-L288 HydrophobicContact CB-CB 4.22Å; F252-L288 HydrophobicContact CB-CD2 3.98Å; F252-L288 HydrophobicContact CD1-CB 4.21Å; F252-W289 CarbonylContact C-O 3.45Å; F252-W289 VanDerWaalsContact CA-O 3.3Å; F252-W289 WeakPolarHBondContact CA-O 3.44Å; F252-R290 HydrophobicContact CD1-CB 3.75Å; F252-R290 HydrophobicContact CD2-CB 4.47Å; F252-R290 HydrophobicContact CE1-CB 3.72Å; F252-R290 HydrophobicContact CE2-CB 4.45Å; F252-R290 HydrophobicContact CG-CB 4.14Å; F252-R290 HydrophobicContact CZ-CB 4.09Å
253	D	98.3	Very high	97.1	Very high	86 Å²	86	54.8 Å²	54.8	46%	0.46	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-85.3	154.6	169.8	-76.2	-46.9	0	0	0	111.8	L288 W289	D253-L288 VanDerWaalsContact O-CA 3.23Å; D253-L288 WeakPolarHBondContact O-CA 3.34Å; D253-L288 WeakPolarHBondContact O-CB 3.44Å; D253-W289 HydrophobicContact CB-CD2 3.79Å; D253-W289 HydrophobicContact CB-CE3 4.19Å; D253-W289 HydrophobicContact CB-CG 4.41Å; D253-W289 HydrophobicContact CB-CH2 3.83Å; D253-W289 HydrophobicContact CB-CZ2 3.37Å; D253-W289 HydrophobicContact CB-CZ3 4.22Å; D253-W289 PolarHBondContact N-O 2.85Å; D253-W289 PolarHBondContact O-N 2.99Å; D253-W289 VanDerWaalsContact O-N 3.11Å
254	E	98.5	Very high	97.1	Very high	35 Å²	35	55.6 Å²	55.6	16%	0.164	28%	0.276	C	S	.	.			trans	-151.2	138	172.4	-171.7	-177.6	-166	0	0	110	R286 L288 Y328	E254-R286 VanDerWaalsContact CD-NH2 3.34Å; E254-R286 IonicContact OE1-CZ 3.3Å; E254-R286 IonicContact OE1-NE 2.78Å; E254-R286 PolarHBondContact OE1-NE 2.93Å; E254-R286 IonicContact OE1-NH2 3.67Å; E254-R286 PolarHBondContact OE1-NH2 2.98Å; E254-R286 IonicContact OE2-CZ 3.31Å; E254-R286 IonicContact OE2-NE 3.63Å; E254-R286 IonicContact OE2-NH2 3.36Å; E254-R286 PolarHBondContact OE2-NH2 3.44Å; E254-L288 HydrophobicContact CB-CD2 4.43Å; E254-L288 HydrophobicContact CB-CG 4.25Å; E254-L288 HydrophobicContact CG-CG 4.43Å; E254-Y328 HydrophobicContact CG-CE1 3.84Å; E254-Y328 PolarHBondContact OE1-OH 3.39Å
255	G	96.8	Very high	97.1	Very high	12 Å²	12	48.8 Å²	48.8	12%	0.124	25%	0.246	C	C	.	.			trans	-69.6	167.6	174.3	0	0	0	0	0	114.4	Q325 Y328	G255-Q325 VanDerWaalsContact N-OE1 3.1Å; G255-Y328 WeakPolarHBondContact O-CE1 3.21Å
256	P	95.6	Very high	97.1	Very high	78 Å²	78	44.2 Å²	44.2	51%	0.506	23%	0.228	S	C	.	.			trans	-67.5	136.4	-179.1	28.5	-35.1	0	0	0	112.2	N258	P256-N258 WeakPolarHBondContact CG-ND2 3.33Å; P256-N258 PolarHBondContact O-N 2.98Å
257	L	97.4	Very high	96.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.238	C	C	.	.			trans	-76.9	67.4	177.1	-59.7	175.4	0	0	0	111.8	W234 I240 F259 W283 Y328	W234-L257 PolarHBondContact NE1-O 2.9Å; I240-L257 HydrophobicContact CD1-CD1 4.14Å; L257-F259 VanDerWaalsContact C-N 3.26Å; L257-F259 HydrophobicContact CD2-CE1 4.02Å; L257-F259 HydrophobicContact CD2-CZ 3.79Å; L257-F259 PolarHBondContact O-N 2.6Å; L257-W283 HydrophobicContact CB-CD2 4.46Å; L257-W283 HydrophobicContact CB-CZ2 4.43Å; L257-W283 HydrophobicContact CD1-CB 4.22Å; L257-W283 HydrophobicContact CD1-CD2 3.85Å; L257-W283 HydrophobicContact CD1-CE3 4.02Å; L257-W283 HydrophobicContact CD1-CG 3.95Å; L257-W283 HydrophobicContact CD2-CG 4.34Å; L257-Y328 HydrophobicContact CD2-CE1 3.85Å
258	N	96.5	Very high	96.7	Very high	110 Å²	110	52.1 Å²	52.1	59%	0.588	25%	0.249	S	C	*	.			trans	-86	11.1	-178.7	-70.4	-28.7	0	0	0	113.9	P256	P256-N258 WeakPolarHBondContact CG-ND2 3.33Å; P256-N258 PolarHBondContact O-N 2.98Å
259	F	97.9	Very high	96.5	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	26%	0.255	C	S	.	.	S	Bend	trans	-118.5	157.5	178.2	55.2	-85.3	0	0	0	110.6	L230 L257 T262 W283 Y328 V342	L230-F259 WeakPolarHBondContact CD1-O 3.38Å; L257-F259 VanDerWaalsContact C-N 3.26Å; L257-F259 HydrophobicContact CD2-CE1 4.02Å; L257-F259 HydrophobicContact CD2-CZ 3.79Å; L257-F259 PolarHBondContact O-N 2.6Å; F259-T262 HydrophobicContact CD2-CG2 4.13Å; F259-T262 HydrophobicContact CE2-CG2 3.93Å; F259-W283 AromaticContact CD2-CD1 3.99Å; F259-W283 AromaticContact CD2-NE1 3.95Å; F259-W283 AromaticContact CE2-CD1 3.56Å; F259-W283 AromaticContact CE2-NE1 3.97Å; F259-W283 WeakPolarHBondContact O-CZ2 3.5Å; F259-W283 PolarHBondContact O-NE1 3Å; F259-Y328 AromaticContact CE1-CD1 3.91Å; F259-Y328 HydrophobicContact CE1-CD1 3.91Å; F259-Y328 HydrophobicContact CE1-CD2 4.34Å; F259-Y328 AromaticContact CE1-CE1 3.93Å; F259-Y328 HydrophobicContact CE1-CE1 3.93Å; F259-Y328 HydrophobicContact CE1-CE2 4.33Å; F259-Y328 HydrophobicContact CE1-CG 4.14Å; F259-Y328 HydrophobicContact CZ-CE1 4.22Å; F259-Y328 HydrophobicContact CZ-CE2 4.28Å; F259-V342 HydrophobicContact CE2-CG2 4.03Å; F259-V342 HydrophobicContact CZ-CG1 4.24Å; F259-V342 HydrophobicContact CZ-CG2 4.45Å
260	K	97.8	Very high	96.3	Very high	107 Å²	107	58 Å²	58	47%	0.465	29%	0.286	S	S	.	.			trans	-63.3	151.2	-178.3	-57.1	179.2	178.6	172.7	0	111.1	I225 T262 Y272 M332	I225-K260 HydrophobicContact CG2-CB 4.38Å; I225-K260 HydrophobicContact CG2-CD 4.12Å; I225-K260 HydrophobicContact CG2-CG 4.15Å; K260-T262 PolarHBondContact O-N 3.07Å; K260-Y272 WeakPolarHBondContact CB-OH 3.17Å; K260-M332 HydrophobicContact CB-CE 3.85Å; K260-M332 VanDerWaalsContact O-CE 3.26Å; K260-M332 WeakPolarHBondContact O-CE 3.47Å
261	P	98.3	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.			trans	-50.2	135	171.4	-29.9	37.7	0	0	0	112.1	I213 I225 F265 Y272 P281 A282 W283	I213-P261 HydrophobicContact CD1-CG 4.28Å; I225-P261 HydrophobicContact CD1-CG 3.75Å; I225-P261 HydrophobicContact CG1-CG 4.07Å; P261-F265 WeakPolarHBondContact O-CE2 3.37Å; P261-Y272 WeakPolarHBondContact O-CE1 3.47Å; P261-Y272 PolarHBondContact O-OH 2.91Å; P261-P281 HydrophobicContact CB-CB 3.84Å; P261-P281 HydrophobicContact CG-CB 4.25Å; P261-A282 WeakPolarHBondContact CB-O 3.16Å; P261-W283 HydrophobicContact CB-CD2 4.35Å; P261-W283 HydrophobicContact CG-CD2 3.99Å; P261-W283 HydrophobicContact CG-CE3 4.26Å; P261-W283 HydrophobicContact CG-CH2 4.03Å; P261-W283 HydrophobicContact CG-CZ2 3.74Å; P261-W283 HydrophobicContact CG-CZ3 4.28Å
262	T	98.5	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.			trans	-90.7	-10.7	-168.8	51.7	0	0	0	0	114.2	F259 K260 F265 A282 D285 S330 M332 H339 K340 V342	F259-T262 HydrophobicContact CD2-CG2 4.13Å; F259-T262 HydrophobicContact CE2-CG2 3.93Å; K260-T262 PolarHBondContact O-N 3.07Å; T262-F265 WeakPolarHBondContact O-CD2 3.5Å; T262-F265 WeakPolarHBondContact O-CE2 3.26Å; T262-A282 PolarHBondContact N-O 3.1Å; T262-A282 VanDerWaalsContact N-O 3.12Å; T262-D285 WeakPolarHBondContact CB-OD2 3.07Å; T262-D285 PolarHBondContact OG1-OD2 3.32Å; T262-S330 WeakPolarHBondContact CG2-OG 3.47Å; T262-M332 HydrophobicContact CG2-CE 4.46Å; T262-H339 CarbonylContact O-C 3.27Å; T262-H339 VanDerWaalsContact O-CA 3.3Å; T262-H339 WeakPolarHBondContact O-CA 3.33Å; T262-K340 HydrophobicContact CG2-CB 4.38Å; T262-K340 PolarHBondContact O-N 3.05Å; T262-V342 HydrophobicContact CG2-CG2 3.6Å
263	Y	98.3	Very high	95.8	Very high	18 Å²	18	52.3 Å²	52.3	7%	0.071	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-131	150.9	177.2	173.1	-101.5	0	0	0	110.1	P281 A282 T284 H339	Y263-P281 CarbonylContact O-C 3.44Å; Y263-P281 WeakPolarHBondContact O-CA 3.26Å; Y263-A282 PolarHBondContact N-O 3.3Å; Y263-A282 VanDerWaalsContact N-O 3.11Å; Y263-A282 PolarHBondContact O-N 3.33Å; Y263-T284 WeakPolarHBondContact CB-OG1 3.26Å; Y263-T284 HydrophobicContact CD1-CG2 3.9Å; Y263-T284 HydrophobicContact CG-CG2 4.06Å; Y263-H339 AromaticContact CD2-CD2 3.57Å; Y263-H339 AromaticContact CD2-CE1 3.47Å; Y263-H339 VanDerWaalsContact CD2-CE1 3.47Å; Y263-H339 WeakPolarHBondContact CD2-CE1 3.16Å; Y263-H339 AromaticContact CD2-NE2 3.08Å; Y263-H339 WeakPolarHBondContact CD2-NE2 3.5Å; Y263-H339 AromaticContact CE2-NE2 3.44Å; Y263-H339 WeakPolarHBondContact CE2-NE2 3.18Å; Y263-H339 AromaticContact CG-CE1 3.94Å; Y263-H339 AromaticContact CG-NE2 4Å
264	K	96.8	Very high	95.3	Very high	52 Å²	52	52.8 Å²	52.8	23%	0.226	27%	0.271	C	S	.	.			cis	-107.7	127.9	-10.5	-175.6	179.6	166.9	100.3	0	109.1	Y272 D273 R279 D338	K264-Y272 CarbonylContact O-C 3.6Å; K264-Y272 WeakPolarHBondContact O-CA 3.44Å; K264-Y272 WeakPolarHBondContact O-CD1 3.08Å; K264-D273 HydrophobicContact CB-CB 4.21Å; K264-D273 HydrophobicContact CD-CB 4.25Å; K264-D273 HydrophobicContact CG-CB 4.29Å; K264-D273 PolarHBondContact O-N 3.47Å; K264-R279 HydrophobicContact CB-CB 4.18Å; K264-R279 HydrophobicContact CD-CB 4.16Å; K264-R279 HydrophobicContact CD-CG 4.07Å; K264-D338 WeakPolarHBondContact CE-OD2 3.01Å; K264-D338 HydrophobicContact CG-CB 3.97Å; K264-D338 IonicContact NZ-OD2 3.81Å; K264-D338 PolarHBondContact NZ-OD2 2.56Å
265	F	97.1	Very high	94.9	Very high	9 Å²	9	53.5 Å²	53.5	4%	0.039	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-96.7	155.4	176.4	-71.9	-96.2	0	0	0	111.9	P261 T262 S271 Y272 M332 D338 K340	P261-F265 WeakPolarHBondContact O-CE2 3.37Å; T262-F265 WeakPolarHBondContact O-CD2 3.5Å; T262-F265 WeakPolarHBondContact O-CE2 3.26Å; F265-S271 WeakPolarHBondContact CA-O 3.48Å; F265-Y272 HydrophobicContact CD1-CD1 4.35Å; F265-Y272 HydrophobicContact CD1-CE1 4.44Å; F265-Y272 HydrophobicContact CD2-CD1 4.26Å; F265-Y272 HydrophobicContact CD2-CE1 4.07Å; F265-Y272 HydrophobicContact CE1-CD1 4.12Å; F265-Y272 AromaticContact CE1-CE1 3.83Å; F265-Y272 HydrophobicContact CE1-CE1 3.83Å; F265-Y272 HydrophobicContact CE1-CE2 4.31Å; F265-Y272 HydrophobicContact CE1-CG 4.49Å; F265-Y272 AromaticContact CE1-CZ 3.93Å; F265-Y272 HydrophobicContact CE2-CD1 4.03Å; F265-Y272 AromaticContact CE2-CE1 3.39Å; F265-Y272 HydrophobicContact CE2-CE1 3.39Å; F265-Y272 HydrophobicContact CG-CD1 4.43Å; F265-Y272 AromaticContact CZ-CD1 3.97Å; F265-Y272 HydrophobicContact CZ-CD1 3.97Å; F265-Y272 AromaticContact CZ-CE1 3.27Å; F265-Y272 HydrophobicContact CZ-CE1 3.27Å; F265-Y272 HydrophobicContact CZ-CE2 4.23Å; F265-Y272 AromaticContact CZ-CZ 3.42Å; F265-Y272 VanDerWaalsContact CZ-CZ 3.42Å; F265-M332 HydrophobicContact CZ-SD 4.25Å; F265-D338 PolarHBondContact N-O 2.9Å; F265-D338 WeakPolarHBondContact O-CB 3.29Å; F265-K340 HydrophobicContact CD2-CD 4.37Å; F265-K340 HydrophobicContact CD2-CG 3.66Å; F265-K340 HydrophobicContact CE1-CG 4.43Å; F265-K340 HydrophobicContact CE2-CB 4.47Å; F265-K340 HydrophobicContact CE2-CD 4.43Å; F265-K340 HydrophobicContact CE2-CG 3.42Å; F265-K340 VanDerWaalsContact CE2-CG 3.42Å; F265-K340 HydrophobicContact CG-CG 4.26Å; F265-K340 HydrophobicContact CZ-CG 3.83Å
266	D	95.9	Very high	94	Very high	33 Å²	33	56.9 Å²	56.9	18%	0.176	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73	133.4	160.2	-61.4	-38.8	0	0	0	108.3	K268 A269 S271 D273 T274	D266-K268 PolarHBondContact O-N 3.47Å; D266-A269 HydrophobicContact CB-CB 4.09Å; D266-A269 PolarHBondContact O-N 3.12Å; D266-S271 PolarHBondContact N-O 2.92Å; D266-S271 PolarHBondContact OD2-OG 2.88Å; D266-D273 WeakPolarHBondContact OD1-CA 3.39Å; D266-T274 VanDerWaalsContact CG-OG1 3.28Å; D266-T274 PolarHBondContact OD1-N 3.17Å; D266-T274 PolarHBondContact OD1-OG1 3.35Å; D266-T274 WeakPolarHBondContact OD2-CB 3.43Å; D266-T274 WeakPolarHBondContact OD2-CG2 3.31Å; D266-T274 PolarHBondContact OD2-N 2.87Å; D266-T274 PolarHBondContact OD2-OG1 3.02Å
267	R	93.8	Very high	93.4	Very high	124 Å²	124	60.8 Å²	60.8	47%	0.468	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140	179.8	-66.1	178.1	111.5	151.9	12.6	110.2	A41 A269 V336	A41-R267 PolarHBondContact O-NH2 3.02Å; R267-A269 PolarHBondContact O-N 3.44Å; R267-V336 PolarHBondContact NE-O 2.94Å; R267-V336 PolarHBondContact NH2-O 3.29Å
268	K	91.8	Very high	92.8	Very high	189 Å²	189	66.6 Å²	66.6	82%	0.822	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	23.5	-178.1	-52.6	-178.2	179.5	-174.4	0	113.6	D266 G335	D266-K268 PolarHBondContact O-N 3.47Å; K268-G335 WeakPolarHBondContact CA-O 3.32Å; K268-G335 PolarHBondContact N-O 2.97Å
269	A	90.8	Very high	92.4	Very high	32 Å²	32	64.4 Å²	64.4	26%	0.264	33%	0.332	S	S	.	.	S	Bend	trans	-138.9	163.9	176.5	0	0	0	0	0	111.2	D266 R267	D266-A269 HydrophobicContact CB-CB 4.09Å; D266-A269 PolarHBondContact O-N 3.12Å; R267-A269 PolarHBondContact O-N 3.44Å
270	D	90.8	Very high	92.2	Very high	125 Å²	125	66 Å²	66	67%	0.668	34%	0.339	S	S	*	.	S	Bend	trans	-97.5	1.8	173.7	-63.9	-32.8	0	0	0	112.5	K340	D270-K340 IonicContact OD1-NZ 3.36Å; D270-K340 PolarHBondContact OD1-NZ 2.87Å
271	S	93.1	Very high	92.2	Very high	51 Å²	51	60.9 Å²	60.9	36%	0.357	32%	0.316	S	S	.	.	S	Bend	trans	-79	135.3	174.7	52	0	0	0	0	111.2	F265 D266	F265-S271 WeakPolarHBondContact CA-O 3.48Å; D266-S271 PolarHBondContact N-O 2.92Å; D266-S271 PolarHBondContact OD2-OG 2.88Å
272	Y	95.3	Very high	92.2	Very high	23 Å²	23	60.9 Å²	60.9	9%	0.09	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-68.2	150.4	164.4	-70.1	-75.1	0	0	0	111.1	I225 K260 P261 K264 F265 T274 P281	I225-Y272 HydrophobicContact CD1-CE2 4.22Å; I225-Y272 HydrophobicContact CG2-CE2 4.02Å; K260-Y272 WeakPolarHBondContact CB-OH 3.17Å; P261-Y272 WeakPolarHBondContact O-CE1 3.47Å; P261-Y272 PolarHBondContact O-OH 2.91Å; K264-Y272 CarbonylContact O-C 3.6Å; K264-Y272 WeakPolarHBondContact O-CA 3.44Å; K264-Y272 WeakPolarHBondContact O-CD1 3.08Å; F265-Y272 HydrophobicContact CD1-CD1 4.35Å; F265-Y272 HydrophobicContact CD1-CE1 4.44Å; F265-Y272 HydrophobicContact CD2-CD1 4.26Å; F265-Y272 HydrophobicContact CD2-CE1 4.07Å; F265-Y272 HydrophobicContact CE1-CD1 4.12Å; F265-Y272 AromaticContact CE1-CE1 3.83Å; F265-Y272 HydrophobicContact CE1-CE1 3.83Å; F265-Y272 HydrophobicContact CE1-CE2 4.31Å; F265-Y272 HydrophobicContact CE1-CG 4.49Å; F265-Y272 AromaticContact CE1-CZ 3.93Å; F265-Y272 HydrophobicContact CE2-CD1 4.03Å; F265-Y272 AromaticContact CE2-CE1 3.39Å; F265-Y272 HydrophobicContact CE2-CE1 3.39Å; F265-Y272 HydrophobicContact CG-CD1 4.43Å; F265-Y272 AromaticContact CZ-CD1 3.97Å; F265-Y272 HydrophobicContact CZ-CD1 3.97Å; F265-Y272 AromaticContact CZ-CE1 3.27Å; F265-Y272 HydrophobicContact CZ-CE1 3.27Å; F265-Y272 HydrophobicContact CZ-CE2 4.23Å; F265-Y272 AromaticContact CZ-CZ 3.42Å; F265-Y272 VanDerWaalsContact CZ-CZ 3.42Å; Y272-T274 PolarHBondContact O-N 2.97Å; Y272-T274 VanDerWaalsContact O-N 3.15Å; Y272-P281 HydrophobicContact CD1-CB 3.86Å; Y272-P281 HydrophobicContact CD1-CG 3.66Å; Y272-P281 HydrophobicContact CD2-CG 4.15Å; Y272-P281 HydrophobicContact CE1-CB 3.73Å; Y272-P281 HydrophobicContact CE1-CG 4.01Å; Y272-P281 HydrophobicContact CE2-CG 4.47Å; Y272-P281 HydrophobicContact CG-CB 4.38Å; Y272-P281 HydrophobicContact CG-CG 3.73Å
273	D	92.4	Very high	92.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.011	32%	0.316	C	S	.	.			trans	-26.7	105.8	-174.4	-174.3	12.3	0	0	0	114.2	R222 K264 D266 S275 R279	R222-D273 PolarHBondContact NH2-O 2.83Å; R222-D273 VanDerWaalsContact NH2-O 3.1Å; K264-D273 HydrophobicContact CB-CB 4.21Å; K264-D273 HydrophobicContact CD-CB 4.25Å; K264-D273 HydrophobicContact CG-CB 4.29Å; K264-D273 PolarHBondContact O-N 3.47Å; D266-D273 WeakPolarHBondContact OD1-CA 3.39Å; D273-S275 WeakPolarHBondContact OD1-CB 3.13Å; D273-S275 PolarHBondContact OD1-N 3.47Å; D273-S275 PolarHBondContact OD1-OG 2.85Å; D273-S275 PolarHBondContact OD2-OG 3.44Å; D273-R279 HydrophobicContact CB-CB 4.39Å; D273-R279 WeakPolarHBondContact OD2-CB 3.37Å; D273-R279 WeakPolarHBondContact OD2-CG 3.35Å; D273-R279 PolarHBondContact OD2-N 3.21Å
274	T	88.6	Confident	92.2	Very high	97 Å²	97	60 Å²	60	60%	0.595	31%	0.313	S	S	*	.			trans	-94.1	-1.6	175.5	57.2	0	0	0	0	112.8	D266 Y272	D266-T274 VanDerWaalsContact CG-OG1 3.28Å; D266-T274 PolarHBondContact OD1-N 3.17Å; D266-T274 PolarHBondContact OD1-OG1 3.35Å; D266-T274 WeakPolarHBondContact OD2-CB 3.43Å; D266-T274 WeakPolarHBondContact OD2-CG2 3.31Å; D266-T274 PolarHBondContact OD2-N 2.87Å; D266-T274 PolarHBondContact OD2-OG1 3.02Å; Y272-T274 PolarHBondContact O-N 2.97Å; Y272-T274 VanDerWaalsContact O-N 3.15Å
275	S	89.6	Confident	92.3	Very high	50 Å²	50	57.5 Å²	57.5	35%	0.35	30%	0.302	S	S	.	.	S	Bend	trans	-64.5	168	177.6	80.8	0	0	0	0	112.4	D273 K277 K278	D273-S275 WeakPolarHBondContact OD1-CB 3.13Å; D273-S275 PolarHBondContact OD1-N 3.47Å; D273-S275 PolarHBondContact OD1-OG 2.85Å; D273-S275 PolarHBondContact OD2-OG 3.44Å; S275-K277 PolarHBondContact O-N 3.19Å; S275-K277 VanDerWaalsContact O-N 3.1Å; S275-K277 PolarHBondContact OG-N 2.96Å; S275-K278 WeakPolarHBondContact O-CG 3.42Å; S275-K278 PolarHBondContact O-N 3.16Å
276	G	77.4	Confident	92.4	Very high	82 Å²	82	57.1 Å²	57.1	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.7	175.6	0	0	0	0	0	114.4
277	K	84	Confident	92.5	Very high	160 Å²	160	55.5 Å²	55.5	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-23.4	178.3	-68.2	-179	-179	174.4	0	112.9	S275 R279	S275-K277 PolarHBondContact O-N 3.19Å; S275-K277 VanDerWaalsContact O-N 3.1Å; S275-K277 PolarHBondContact OG-N 2.96Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 HydrophobicContact CB-CG 4.48Å; K277-R279 PolarHBondContact O-N 3.29Å
278	K	83.9	Confident	92.8	Very high	126 Å²	126	49.7 Å²	49.7	55%	0.548	27%	0.27	S	S	.	.			trans	40.5	54.5	177.4	-59.7	-174	179.8	176.9	0	113	L218 S275 K280	L218-K278 HydrophobicContact CD2-CB 3.94Å; S275-K278 WeakPolarHBondContact O-CG 3.42Å; S275-K278 PolarHBondContact O-N 3.16Å; K278-K280 PolarHBondContact O-N 2.9Å
279	R	89.1	Confident	93.1	Very high	65 Å²	65	41.9 Å²	41.9	25%	0.245	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-57.5	131.5	-179.1	-66.9	-61.4	-175.3	96.5	-9.2	109.7	H169 K264 D273 K277	H169-R279 PolarHBondContact CE1-NH2 2.86Å; K264-R279 HydrophobicContact CB-CB 4.18Å; K264-R279 HydrophobicContact CD-CB 4.16Å; K264-R279 HydrophobicContact CD-CG 4.07Å; D273-R279 HydrophobicContact CB-CB 4.39Å; D273-R279 WeakPolarHBondContact OD2-CB 3.37Å; D273-R279 WeakPolarHBondContact OD2-CG 3.35Å; D273-R279 PolarHBondContact OD2-N 3.21Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 HydrophobicContact CB-CG 4.48Å; K277-R279 PolarHBondContact O-N 3.29Å
280	K	93.8	Very high	93.4	Very high	40 Å²	40	41.2 Å²	41.2	17%	0.174	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-66.7	134.4	178.1	176.8	167.6	40.9	167.4	0	109.6	I213 H216 L218 V221 K278	I213-K280 WeakPolarHBondContact O-CE 3.25Å; I213-K280 PolarHBondContact O-NZ 2.98Å; H216-K280 WeakPolarHBondContact O-CD 3.44Å; H216-K280 PolarHBondContact O-NZ 3.42Å; L218-K280 HydrophobicContact CD1-CB 4.28Å; V221-K280 HydrophobicContact CB-CG 4.42Å; V221-K280 HydrophobicContact CG1-CG 4.31Å; V221-K280 HydrophobicContact CG2-CD 3.72Å; V221-K280 HydrophobicContact CG2-CG 4.1Å; K278-K280 PolarHBondContact O-N 2.9Å
281	P	97.2	Very high	93.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-56.4	143.5	175.3	-26.9	35.1	0	0	0	112.8	I213 V221 I225 P261 Y263 Y272	I213-P281 WeakPolarHBondContact CD1-O 3.44Å; V221-P281 HydrophobicContact CG1-CB 4.12Å; V221-P281 HydrophobicContact CG1-CG 4.19Å; I225-P281 HydrophobicContact CD1-CB 3.66Å; I225-P281 HydrophobicContact CD1-CG 3.92Å; P261-P281 HydrophobicContact CB-CB 3.84Å; P261-P281 HydrophobicContact CG-CB 4.25Å; Y263-P281 CarbonylContact O-C 3.44Å; Y263-P281 WeakPolarHBondContact O-CA 3.26Å; Y272-P281 HydrophobicContact CD1-CB 3.86Å; Y272-P281 HydrophobicContact CD1-CG 3.66Å; Y272-P281 HydrophobicContact CD2-CG 4.15Å; Y272-P281 HydrophobicContact CE1-CB 3.73Å; Y272-P281 HydrophobicContact CE1-CG 4.01Å; Y272-P281 HydrophobicContact CE2-CG 4.47Å; Y272-P281 HydrophobicContact CG-CB 4.38Å; Y272-P281 HydrophobicContact CG-CG 3.73Å
282	A	97.9	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-152	152.1	-178.9	0	0	0	0	0	112.5	R212 P261 T262 Y263 T284	R212-A282 HydrophobicContact CB-CB 4.38Å; P261-A282 WeakPolarHBondContact CB-O 3.16Å; T262-A282 PolarHBondContact N-O 3.1Å; T262-A282 VanDerWaalsContact N-O 3.12Å; Y263-A282 PolarHBondContact N-O 3.3Å; Y263-A282 VanDerWaalsContact N-O 3.11Å; Y263-A282 PolarHBondContact O-N 3.33Å; A282-T284 HydrophobicContact CB-CG2 3.99Å; A282-T284 PolarHBondContact O-N 2.59Å
283	W	98.6	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.			trans	-86.6	81.7	166.8	-67.1	-82.5	0	0	0	108.9	I213 L230 L233 L257 F259 P261 R286	I213-W283 HydrophobicContact CD1-CE3 3.7Å; I213-W283 HydrophobicContact CD1-CH2 4.39Å; I213-W283 HydrophobicContact CD1-CZ3 3.48Å; I213-W283 VanDerWaalsContact CD1-CZ3 3.48Å; I213-W283 HydrophobicContact CG1-CE3 4.04Å; I213-W283 HydrophobicContact CG1-CZ3 4.1Å; L230-W283 HydrophobicContact CB-CH2 4.35Å; L230-W283 HydrophobicContact CB-CZ2 4.26Å; L230-W283 HydrophobicContact CD1-CZ2 4.43Å; L230-W283 HydrophobicContact CD2-CH2 4.49Å; L230-W283 HydrophobicContact CD2-CZ2 4.16Å; L233-W283 HydrophobicContact CB-CH2 3.91Å; L233-W283 HydrophobicContact CB-CZ3 3.8Å; L233-W283 HydrophobicContact CD1-CH2 3.95Å; L233-W283 HydrophobicContact CD1-CZ3 4.3Å; L257-W283 HydrophobicContact CB-CD2 4.46Å; L257-W283 HydrophobicContact CB-CZ2 4.43Å; L257-W283 HydrophobicContact CD1-CB 4.22Å; L257-W283 HydrophobicContact CD1-CD2 3.85Å; L257-W283 HydrophobicContact CD1-CE3 4.02Å; L257-W283 HydrophobicContact CD1-CG 3.95Å; L257-W283 HydrophobicContact CD2-CG 4.34Å; F259-W283 AromaticContact CD2-CD1 3.99Å; F259-W283 AromaticContact CD2-NE1 3.95Å; F259-W283 AromaticContact CE2-CD1 3.56Å; F259-W283 AromaticContact CE2-NE1 3.97Å; F259-W283 WeakPolarHBondContact O-CZ2 3.5Å; F259-W283 PolarHBondContact O-NE1 3Å; P261-W283 HydrophobicContact CB-CD2 4.35Å; P261-W283 HydrophobicContact CG-CD2 3.99Å; P261-W283 HydrophobicContact CG-CE3 4.26Å; P261-W283 HydrophobicContact CG-CH2 4.03Å; P261-W283 HydrophobicContact CG-CZ2 3.74Å; P261-W283 HydrophobicContact CG-CZ3 4.28Å; W283-R286 WeakPolarHBondContact O-CD 3.08Å; W283-R286 PolarHBondContact O-NH1 3.31Å
284	T	98.7	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.			trans	-81.9	-32.9	179.5	44.9	0	0	0	0	112	D208 L209 N210 Y263 A282 H339	D208-T284 CarbonylContact C-O 3.57Å; D208-T284 WeakPolarHBondContact OD1-CB 3.27Å; L209-T284 PolarHBondContact N-O 3.36Å; N210-T284 PolarHBondContact N-O 2.75Å; N210-T284 VanDerWaalsContact N-O 3.14Å; Y263-T284 WeakPolarHBondContact CB-OG1 3.26Å; Y263-T284 HydrophobicContact CD1-CG2 3.9Å; Y263-T284 HydrophobicContact CG-CG2 4.06Å; A282-T284 HydrophobicContact CB-CG2 3.99Å; A282-T284 PolarHBondContact O-N 2.59Å; T284-H339 PolarHBondContact OG1-CE1 2.73Å; T284-H339 PolarHBondContact OG1-ND1 3.48Å
285	D	98.9	Very high	90.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.6	-173.8	-43.6	-88.6	0	0	0	109.3	T37 G207 T262 H339 V342	T37-D285 HydrophobicContact CG2-CB 4.1Å; G207-D285 VanDerWaalsContact O-CA 3.26Å; G207-D285 WeakPolarHBondContact O-CA 3.43Å; T262-D285 WeakPolarHBondContact CB-OD2 3.07Å; T262-D285 PolarHBondContact OG1-OD2 3.32Å; D285-H339 IonicContact OD1-CE1 2.74Å; D285-H339 IonicContact OD1-CG 3.52Å; D285-H339 IonicContact OD1-ND1 2.69Å; D285-H339 PolarHBondContact OD1-ND1 3.07Å; D285-H339 IonicContact OD2-CG 3.35Å; D285-H339 IonicContact OD2-ND1 2.95Å; D285-H339 PolarHBondContact OD2-ND1 3.24Å; D285-V342 HydrophobicContact CB-CB 4.42Å; D285-V342 HydrophobicContact CB-CG2 3.74Å
286	R	98.9	Very high	88.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.6	-167.3	-46.4	-66.3	-79.6	-95.1	-5.2	112	F206 G207 L209 D237 L239 E254 W283 L288 Y328	F206-R286 WeakPolarHBondContact CA-O 3.44Å; F206-R286 VanDerWaalsContact CB-O 3.26Å; F206-R286 WeakPolarHBondContact CB-O 3.28Å; G207-R286 PolarHBondContact N-O 3.47Å; G207-R286 VanDerWaalsContact N-O 3.12Å; G207-R286 PolarHBondContact O-N 2.93Å; L209-R286 HydrophobicContact CB-CG 4.26Å; L209-R286 HydrophobicContact CD1-CB 4Å; L209-R286 HydrophobicContact CD1-CG 4.49Å; L209-R286 HydrophobicContact CD2-CB 4.07Å; L209-R286 HydrophobicContact CD2-CG 4.3Å; L209-R286 HydrophobicContact CG-CB 4.46Å; D237-R286 IonicContact OD1-CZ 2.66Å; D237-R286 IonicContact OD1-NH1 2.65Å; D237-R286 PolarHBondContact OD1-NH1 3.41Å; D237-R286 IonicContact OD1-NH2 3.38Å; D237-R286 PolarHBondContact OD1-NH2 2.89Å; D237-R286 IonicContact OD2-NH1 3.13Å; D237-R286 PolarHBondContact OD2-NH1 2.98Å; D237-R286 VanDerWaalsContact OD2-NH1 3.15Å; L239-R286 HydrophobicContact CD2-CB 4.45Å; L239-R286 HydrophobicContact CD2-CG 4.08Å; E254-R286 VanDerWaalsContact CD-NH2 3.34Å; E254-R286 IonicContact OE1-CZ 3.3Å; E254-R286 IonicContact OE1-NE 2.78Å; E254-R286 PolarHBondContact OE1-NE 2.93Å; E254-R286 IonicContact OE1-NH2 3.67Å; E254-R286 PolarHBondContact OE1-NH2 2.98Å; E254-R286 IonicContact OE2-CZ 3.31Å; E254-R286 IonicContact OE2-NE 3.63Å; E254-R286 IonicContact OE2-NH2 3.36Å; E254-R286 PolarHBondContact OE2-NH2 3.44Å; W283-R286 WeakPolarHBondContact O-CD 3.08Å; W283-R286 PolarHBondContact O-NH1 3.31Å; R286-L288 HydrophobicContact CB-CD1 3.99Å; R286-Y328 WeakPolarHBondContact CA-OH 3.36Å
287	I	98.9	Very high	87.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.6	173.3	-53.8	172.7	0	0	0	108.6	M35 T37 F206 Y328 V342 F346	M35-I287 HydrophobicContact CB-CD1 4.13Å; M35-I287 HydrophobicContact CE-CG2 4.35Å; M35-I287 HydrophobicContact SD-CG2 3.96Å; T37-I287 HydrophobicContact CG2-CD1 4.48Å; T37-I287 HydrophobicContact CG2-CG1 4.03Å; F206-I287 HydrophobicContact CB-CB 4.18Å; F206-I287 HydrophobicContact CB-CG1 3.94Å; F206-I287 HydrophobicContact CB-CG2 4.17Å; I287-Y328 HydrophobicContact CB-CE2 3.93Å; I287-Y328 HydrophobicContact CD1-CE2 4.26Å; I287-Y328 HydrophobicContact CG1-CE2 4.13Å; I287-Y328 PolarHBondContact N-OH 2.89Å; I287-Y328 VanDerWaalsContact N-OH 3.09Å; I287-V342 HydrophobicContact CD1-CG1 4.1Å; I287-V342 HydrophobicContact CG1-CG1 4.31Å; I287-F346 HydrophobicContact CG2-CE2 4.02Å; I287-F346 HydrophobicContact CG2-CZ 3.82Å
288	L	98.8	Very high	85.2	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.7	177.3	-57.7	92.7	0	0	0	110.1	F204 W205 L209 L239 F252 D253 E254 R286	F204-L288 WeakPolarHBondContact CA-O 3.25Å; W205-L288 PolarHBondContact N-O 3.4Å; W205-L288 WeakPolarHBondContact O-CA 3.39Å; W205-L288 WeakPolarHBondContact O-CD1 3.43Å; W205-L288 PolarHBondContact O-N 3.19Å; L209-L288 HydrophobicContact CD2-CD1 3.54Å; L239-L288 HydrophobicContact CD2-CD1 4.28Å; L239-L288 HydrophobicContact CD2-CD2 4.29Å; F252-L288 HydrophobicContact CB-CB 4.22Å; F252-L288 HydrophobicContact CB-CD2 3.98Å; F252-L288 HydrophobicContact CD1-CB 4.21Å; D253-L288 VanDerWaalsContact O-CA 3.23Å; D253-L288 WeakPolarHBondContact O-CA 3.34Å; D253-L288 WeakPolarHBondContact O-CB 3.44Å; E254-L288 HydrophobicContact CB-CD2 4.43Å; E254-L288 HydrophobicContact CB-CG 4.25Å; E254-L288 HydrophobicContact CG-CG 4.43Å; R286-L288 HydrophobicContact CB-CD1 3.99Å
289	W	98.7	Very high	83.3	Confident	25 Å²	25	56.5 Å²	56.5	10%	0.095	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.2	172	71.2	95.7	0	0	0	111.6	V203 F204 F252 D253 V323 Q325 F346	V203-W289 CarbonylContact O-C 3.34Å; V203-W289 WeakPolarHBondContact O-CA 3.25Å; F204-W289 HydrophobicContact CD1-CB 3.64Å; F204-W289 HydrophobicContact CE1-CB 3.74Å; F204-W289 HydrophobicContact CE1-CG 4.41Å; F204-W289 HydrophobicContact CG-CB 4.4Å; F252-W289 CarbonylContact C-O 3.45Å; F252-W289 VanDerWaalsContact CA-O 3.3Å; F252-W289 WeakPolarHBondContact CA-O 3.44Å; D253-W289 HydrophobicContact CB-CD2 3.79Å; D253-W289 HydrophobicContact CB-CE3 4.19Å; D253-W289 HydrophobicContact CB-CG 4.41Å; D253-W289 HydrophobicContact CB-CH2 3.83Å; D253-W289 HydrophobicContact CB-CZ2 3.37Å; D253-W289 HydrophobicContact CB-CZ3 4.22Å; D253-W289 PolarHBondContact N-O 2.85Å; D253-W289 PolarHBondContact O-N 2.99Å; D253-W289 VanDerWaalsContact O-N 3.11Å; W289-V323 HydrophobicContact CG-CG1 4.21Å; W289-Q325 HydrophobicContact CH2-CB 3.78Å; W289-Q325 HydrophobicContact CZ2-CB 4.38Å; W289-Q325 HydrophobicContact CZ3-CB 4.01Å; W289-Q325 HydrophobicContact CZ3-CG 4.37Å; W289-F346 HydrophobicContact CD2-CE1 4Å; W289-F346 AromaticContact CE3-CE1 3.64Å; W289-F346 HydrophobicContact CE3-CE1 3.64Å; W289-F346 HydrophobicContact CE3-CZ 4.16Å; W289-F346 HydrophobicContact CZ3-CE1 4Å
290	R	97.6	Very high	81.5	Confident	18 Å²	18	61.1 Å²	61.1	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.1	174	170.5	-178	179.5	-90.9	5.7	108.4	L198 V202 V203 E251 F252	L198-R290 PolarHBondContact O-NH1 2.69Å; V202-R290 WeakPolarHBondContact CA-O 3.3Å; V203-R290 HydrophobicContact CB-CB 4.37Å; V203-R290 PolarHBondContact N-O 3.09Å; V203-R290 PolarHBondContact O-N 2.67Å; E251-R290 HydrophobicContact CB-CG 4.35Å; E251-R290 WeakPolarHBondContact O-CB 3.24Å; E251-R290 WeakPolarHBondContact O-CG 3.32Å; E251-R290 IonicContact OE2-CZ 2.67Å; E251-R290 VanDerWaalsContact OE2-CZ 3.3Å; E251-R290 IonicContact OE2-NE 3.37Å; E251-R290 PolarHBondContact OE2-NE 3.2Å; E251-R290 IonicContact OE2-NH2 3.45Å; E251-R290 PolarHBondContact OE2-NH2 3.11Å; F252-R290 HydrophobicContact CD1-CB 3.75Å; F252-R290 HydrophobicContact CD2-CB 4.47Å; F252-R290 HydrophobicContact CE1-CB 3.72Å; F252-R290 HydrophobicContact CE2-CB 4.45Å; F252-R290 HydrophobicContact CG-CB 4.14Å; F252-R290 HydrophobicContact CZ-CB 4.09Å
291	I	95.4	Very high	78.9	Confident	60 Å²	60	66.4 Å²	66.4	31%	0.308	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	168.2	-56.3	176	0	0	0	106.7	K201 P293 I321 V323	K201-I291 WeakPolarHBondContact O-CA 3.49Å; I291-P293 WeakPolarHBondContact O-CD 3.49Å; I291-I321 HydrophobicContact CG2-CG2 4.25Å; I291-V323 HydrophobicContact CD1-CB 3.99Å; I291-V323 HydrophobicContact CD1-CG2 3.89Å; I291-V323 HydrophobicContact CG1-CB 4.47Å; I291-V323 HydrophobicContact CG1-CG2 4.06Å
292	K	91.8	Very high	76.3	Confident	96 Å²	96	74.8 Å²	74.8	42%	0.417	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57.3	124.7	177.7	-172.2	178	-179.5	-179.5	0	109.1	D199 K201	D199-K292 PolarHBondContact O-NZ 2.78Å; K201-K292 PolarHBondContact O-N 2.63Å
293	P	83.3	Confident	73.7	Confident	83 Å²	83	81.9 Å²	81.9	54%	0.539	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-59.1	149.9	174.4	-22.2	33	0	0	0	110.8	I291 S295	I291-P293 WeakPolarHBondContact O-CD 3.49Å; P293-S295 PolarHBondContact O-N 2.88Å
294	K	70.7	Confident	71.3	Confident	161 Å²	161	90 Å²	90	70%	0.7	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-65.4	133.8	170.8	-69.4	-172.3	174.9	-169.6	0	109.2	L296	K294-L296 PolarHBondContact O-N 3.37Å
295	S	63.8	Low	68.5	Low	67 Å²	67	97.4 Å²	97.4	47%	0.469	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-57	124.8	162.6	-34.7	0	0	0	0	107.4	P293 E317	P293-S295 PolarHBondContact O-N 2.88Å; S295-E317 PolarHBondContact OG-OE1 3.14Å
296	L	45.6	Very low	66	Low	159 Å²	159	107.1 Å²	107.1	83%	0.832	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.4	163.7	-71	168.9	0	0	0	107.1	K294 S298	K294-L296 PolarHBondContact O-N 3.37Å; L296-S298 PolarHBondContact O-N 3.41Å
297	P	46.3	Very low	63.1	Low	118 Å²	118	116 Å²	116	77%	0.766	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.2	127.8	169.7	-18	29.1	0	0	0	108.1	E299	P297-E299 PolarHBondContact O-N 2.92Å; P297-E299 VanDerWaalsContact O-N 3.11Å
298	S	41.5	Very low	60.3	Low	103 Å²	103	120.8 Å²	120.8	72%	0.72	64%	0.64	S	S	*	*			trans	-63	113.6	172	45.3	0	0	0	0	108.4	L296 E300	L296-S298 PolarHBondContact O-N 3.41Å; S298-E300 PolarHBondContact O-N 3.4Å
299	E	44.9	Very low	57.3	Low	190 Å²	190	125.4 Å²	125.4	89%	0.888	67%	0.673	S	S	*	*	S	Bend	trans	-72.7	71.9	162.5	-71.1	-168.5	172.5	0	0	108.3	P297	P297-E299 PolarHBondContact O-N 2.92Å; P297-E299 VanDerWaalsContact O-N 3.11Å
300	E	49.4	Very low	54.2	Low	163 Å²	163	130.9 Å²	130.9	76%	0.762	71%	0.71	S	S	*	*			trans	176.6	107.4	166.3	-100.5	158.4	-143.6	0	0	107.6	S298	S298-E300 PolarHBondContact O-N 3.4Å
301	D	40.5	Very low	51.3	Low	151 Å²	151	134.1 Å²	134.1	81%	0.807	74%	0.735	S	S	*	*			trans	172.4	73.8	136.4	-80.7	-18.5	0	0	0	109.6	D303	D301-D303 PolarHBondContact O-N 3.31Å
302	D	43.2	Very low	48.4	Very low	175 Å²	175	136.2 Å²	136.2	94%	0.936	76%	0.761	S	S	*	*			trans	-83	51.5	160	-109	-11.7	0	0	0	109
303	D	42.9	Very low	46.1	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	76%	0.763	S	S	*	*			trans	-130.3	112.1	172.3	-90.6	-35.8	0	0	0	110.4	D301 D305	D301-D303 PolarHBondContact O-N 3.31Å; D303-D305 PolarHBondContact O-N 3.22Å
304	D	46.8	Very low	44	Very low	170 Å²	170	139 Å²	139	91%	0.909	78%	0.776	S	S	*	*			trans	-51.3	103.3	170.3	-81.1	-44.9	0	0	0	110.8
305	D	40	Very low	42.7	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	77%	0.768	S	S	*	*			trans	-143.6	105.9	154	-104.5	-26.6	0	0	0	110.2	D303 K307	D303-D305 PolarHBondContact O-N 3.22Å; D305-K307 VanDerWaalsContact C-N 3.3Å; D305-K307 PolarHBondContact O-N 3.15Å
306	E	47.3	Very low	41.8	Very low	204 Å²	204	135 Å²	135	95%	0.953	77%	0.766	S	S	*	*			trans	-58.5	89.3	167.2	-76.7	-173.4	151.6	0	0	110.2
307	K	36.9	Very low	42	Very low	185 Å²	185	132 Å²	132	80%	0.804	75%	0.748	S	S	*	*			trans	-118.9	110.5	151.3	-85.3	-176.4	-179.7	169.7	0	108.5	D305 S309	D305-K307 VanDerWaalsContact C-N 3.3Å; D305-K307 PolarHBondContact O-N 3.15Å; K307-S309 PolarHBondContact O-N 2.95Å; K307-S309 PolarHBondContact O-OG 2.86Å
308	A	41.3	Very low	42.5	Very low	101 Å²	101	132.6 Å²	132.6	84%	0.835	74%	0.741	S	S	*	*			trans	-59.7	84.3	168.9	0	0	0	0	0	110.6
309	S	35.3	Very low	43.6	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	71%	0.714	S	S	*	*			trans	-81.5	98.4	152	28.8	0	0	0	0	106.8	K307 S311	K307-S309 PolarHBondContact O-N 2.95Å; K307-S309 PolarHBondContact O-OG 2.86Å; S309-S311 PolarHBondContact O-N 2.8Å
310	T	34.8	Very low	45	Very low	140 Å²	140	124.4 Å²	124.4	86%	0.859	70%	0.697	S	S	*	*			trans	-71.9	72.7	166.5	53.4	0	0	0	0	108.9
311	S	36.3	Very low	46.9	Very low	86 Å²	86	117.1 Å²	117.1	60%	0.601	66%	0.663	S	S	*	*			trans	-87.9	98.8	161.8	50	0	0	0	0	107.2	S309 D313	S309-S311 PolarHBondContact O-N 2.8Å; S311-D313 PolarHBondContact O-N 2.96Å
312	A	34.7	Very low	49.4	Very low	104 Å²	104	114.8 Å²	114.8	86%	0.86	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	26.2	171.9	0	0	0	0	0	113
313	D	43.5	Very low	52	Low	86 Å²	86	107.1 Å²	107.1	46%	0.46	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	-12.8	-167.2	-158.7	31.7	0	0	0	113.8	S311 G315 Q316	S311-D313 PolarHBondContact O-N 2.96Å; D313-G315 PolarHBondContact O-N 3.49Å; D313-Q316 PolarHBondContact O-N 3.46Å; D313-Q316 PolarHBondContact OD1-OE1 2.82Å
314	D	39.1	Very low	54.6	Low	151 Å²	151	102.6 Å²	102.6	81%	0.807	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-9.8	-175.8	-140.9	19.3	0	0	0	113.3
315	G	41.6	Very low	57	Low	51 Å²	51	96.2 Å²	96.2	53%	0.526	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-9.4	171.7	0	0	0	0	0	114.8	D313	D313-G315 PolarHBondContact O-N 3.49Å
316	Q	45.2	Very low	59.7	Low	94 Å²	94	92 Å²	92	44%	0.439	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.7	-178.9	-72.2	-167	9.5	0	0	113.7	D313 E318 Y353	D313-Q316 PolarHBondContact O-N 3.46Å; D313-Q316 PolarHBondContact OD1-OE1 2.82Å; Q316-E318 VanDerWaalsContact C-N 3.26Å; Q316-E318 PolarHBondContact O-N 3.32Å; Q316-Y353 HydrophobicContact CB-CE1 4.2Å; Q316-Y353 HydrophobicContact CG-CE1 3.97Å; Q316-Y353 PolarHBondContact O-OH 3.05Å
317	E	51.5	Low	62.1	Low	95 Å²	95	85 Å²	85	44%	0.444	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8	-178.9	-69.9	-161.3	148.3	0	0	114.5	S295 Y319	S295-E317 PolarHBondContact OG-OE1 3.14Å; E317-Y319 VanDerWaalsContact C-N 3.29Å; E317-Y319 PolarHBondContact O-N 2.9Å
318	E	56.3	Low	65	Low	131 Å²	131	77.1 Å²	77.1	61%	0.612	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.2	-170.9	-154.6	-178.2	-170.6	0	0	114	Q316	Q316-E318 VanDerWaalsContact C-N 3.26Å; Q316-E318 PolarHBondContact O-N 3.32Å
319	Y	64.9	Low	67.7	Low	39 Å²	39	74.6 Å²	74.6	15%	0.153	44%	0.438	C	S	.	.	S	Bend	trans	-122.6	101	-170.5	-53.6	-61.5	0	0	0	113.8	L26 K201 E317 R351 Y353	L26-Y319 HydrophobicContact CD1-CE1 4.4Å; K201-Y319 WeakPolarHBondContact CE-O 3.25Å; K201-Y319 PolarHBondContact NZ-O 2.92Å; E317-Y319 VanDerWaalsContact C-N 3.29Å; E317-Y319 PolarHBondContact O-N 2.9Å; Y319-R351 HydrophobicContact CG-CB 4.33Å; Y319-R351 PolarHBondContact OH-NH1 3.23Å; Y319-Y353 HydrophobicContact CD2-CE1 4.35Å
320	P	74.6	Confident	70.7	Confident	82 Å²	82	70.3 Å²	70.3	53%	0.532	41%	0.409	S	S	.	.			trans	-65.3	141	178.3	27.4	-33	0	0	0	111
321	I	89.3	Confident	73.7	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.051	37%	0.374	C	S	.	.			trans	-92.6	133.6	164.5	-177.6	158.9	0	0	0	108.2	H157 M159 K201 V202 I291 L350	H157-I321 HydrophobicContact CB-CD1 4.46Å; M159-I321 HydrophobicContact CE-CD1 3.54Å; K201-I321 HydrophobicContact CD-CG2 3.89Å; K201-I321 HydrophobicContact CG-CG2 3.74Å; V202-I321 HydrophobicContact CG2-CB 4.47Å; V202-I321 HydrophobicContact CG2-CD1 3.75Å; V202-I321 HydrophobicContact CG2-CG1 4.16Å; V202-I321 HydrophobicContact CG2-CG2 3.52Å; I291-I321 HydrophobicContact CG2-CG2 4.25Å; I321-L350 HydrophobicContact CB-CB 4.49Å; I321-L350 HydrophobicContact CD1-CB 4.06Å; I321-L350 HydrophobicContact CD1-CD2 3.81Å; I321-L350 HydrophobicContact CG1-CB 4.07Å
322	M	93.1	Very high	76.5	Confident	101 Å²	101	63 Å²	63	50%	0.498	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.5	174.8	-174	164.5	72.8	0	0	109.6	E349	M322-E349 HydrophobicContact CB-CB 4.22Å; M322-E349 HydrophobicContact CE-CB 4.41Å; M322-E349 WeakPolarHBondContact CE-OE2 3.48Å; M322-E349 PolarHBondContact N-O 3.41Å; M322-E349 PolarHBondContact O-N 3.09Å
323	V	96.4	Very high	79.4	Confident	14 Å²	14	62.3 Å²	62.3	9%	0.085	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.2	178.7	-178.3	0	0	0	0	108.3	V202 F204 W289 I291 F346 L348	V202-V323 HydrophobicContact CG1-CG2 3.97Å; V202-V323 HydrophobicContact CG2-CG2 4.11Å; F204-V323 HydrophobicContact CE1-CG1 4.12Å; F204-V323 HydrophobicContact CZ-CG1 3.92Å; W289-V323 HydrophobicContact CG-CG1 4.21Å; I291-V323 HydrophobicContact CD1-CB 3.99Å; I291-V323 HydrophobicContact CD1-CG2 3.89Å; I291-V323 HydrophobicContact CG1-CB 4.47Å; I291-V323 HydrophobicContact CG1-CG2 4.06Å; V323-F346 HydrophobicContact CG1-CD1 3.77Å; V323-F346 HydrophobicContact CG1-CE1 4.42Å; V323-L348 HydrophobicContact CB-CD2 4.47Å; V323-L348 HydrophobicContact CG1-CD2 4.08Å; V323-L348 HydrophobicContact CG2-CD2 3.99Å
324	T	97.5	Very high	81.9	Confident	55 Å²	55	59.1 Å²	59.1	34%	0.337	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.5	177.2	-62.8	0	0	0	0	109.7	N326 F346 T347	T324-N326 PolarHBondContact O-N 3.31Å; T324-N326 PolarHBondContact O-OD1 3.03Å; T324-F346 CarbonylContact O-C 3.6Å; T324-F346 VanDerWaalsContact O-CA 3.24Å; T324-F346 WeakPolarHBondContact O-CA 3.48Å; T324-T347 PolarHBondContact N-O 2.79Å; T324-T347 PolarHBondContact O-N 3.33Å
325	Q	97.9	Very high	84.6	Confident	36 Å²	36	52.7 Å²	52.7	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	107.7	171.1	-167.8	179.1	55.6	0	0	110.2	G255 W289 N345 F346	G255-Q325 VanDerWaalsContact N-OE1 3.1Å; W289-Q325 HydrophobicContact CH2-CB 3.78Å; W289-Q325 HydrophobicContact CZ2-CB 4.38Å; W289-Q325 HydrophobicContact CZ3-CB 4.01Å; W289-Q325 HydrophobicContact CZ3-CG 4.37Å; Q325-N345 CarbonylContact C-O 3.41Å; Q325-F346 HydrophobicContact CB-CD1 3.78Å; Q325-F346 HydrophobicContact CB-CE1 3.59Å; Q325-F346 HydrophobicContact CB-CZ 4.39Å; Q325-F346 HydrophobicContact CG-CD1 4.02Å; Q325-F346 HydrophobicContact CG-CE1 3.59Å; Q325-F346 HydrophobicContact CG-CZ 3.89Å; Q325-F346 VanDerWaalsContact NE2-CZ 3.32Å
326	N	96.4	Very high	87.2	Confident	69 Å²	69	52 Å²	52	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-32.9	-177.8	-41	98.6	0	0	0	112.7	R32 T324 N345 F346 T347	R32-N326 VanDerWaalsContact NH1-CG 3.25Å; R32-N326 PolarHBondContact NH1-ND2 2.78Å; R32-N326 PolarHBondContact NH1-OD1 3.26Å; R32-N326 PolarHBondContact NH2-OD1 2.95Å; T324-N326 PolarHBondContact O-N 3.31Å; T324-N326 PolarHBondContact O-OD1 3.03Å; N326-N345 HydrophobicContact CB-CB 4.5Å; N326-N345 PolarHBondContact N-O 3.25Å; N326-N345 PolarHBondContact OD1-O 3.42Å; N326-F346 WeakPolarHBondContact OD1-CA 3.23Å; N326-T347 PolarHBondContact ND2-OG1 3.32Å; N326-T347 PolarHBondContact OD1-N 3.37Å; N326-T347 PolarHBondContact OD1-OG1 3.13Å
327	T	96.8	Very high	89.7	Confident	56 Å²	56	47.6 Å²	47.6	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139	-179.7	-51.2	0	0	0	0	109.1	T329 G344 N345	T327-T329 HydrophobicContact CG2-CG2 4.08Å; T327-G344 CarbonylContact O-C 3.6Å; T327-G344 WeakPolarHBondContact O-CA 3.36Å; T327-N345 PolarHBondContact N-O 3.27Å; T327-N345 PolarHBondContact O-N 2.79Å
328	Y	98.4	Very high	91.9	Very high	19 Å²	19	44.1 Å²	44.1	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	109.2	173.7	-174.6	-143	0	0	0	108.6	E254 G255 L257 F259 R286 I287 V342 I343	E254-Y328 HydrophobicContact CG-CE1 3.84Å; E254-Y328 PolarHBondContact OE1-OH 3.39Å; G255-Y328 WeakPolarHBondContact O-CE1 3.21Å; L257-Y328 HydrophobicContact CD2-CE1 3.85Å; F259-Y328 AromaticContact CE1-CD1 3.91Å; F259-Y328 HydrophobicContact CE1-CD1 3.91Å; F259-Y328 HydrophobicContact CE1-CD2 4.34Å; F259-Y328 AromaticContact CE1-CE1 3.93Å; F259-Y328 HydrophobicContact CE1-CE1 3.93Å; F259-Y328 HydrophobicContact CE1-CE2 4.33Å; F259-Y328 HydrophobicContact CE1-CG 4.14Å; F259-Y328 HydrophobicContact CZ-CE1 4.22Å; F259-Y328 HydrophobicContact CZ-CE2 4.28Å; R286-Y328 WeakPolarHBondContact CA-OH 3.36Å; I287-Y328 HydrophobicContact CB-CE2 3.93Å; I287-Y328 HydrophobicContact CD1-CE2 4.26Å; I287-Y328 HydrophobicContact CG1-CE2 4.13Å; I287-Y328 PolarHBondContact N-OH 2.89Å; I287-Y328 VanDerWaalsContact N-OH 3.09Å; Y328-V342 HydrophobicContact CD2-CG1 4.14Å; Y328-V342 HydrophobicContact CE2-CG1 3.54Å; Y328-I343 WeakPolarHBondContact CA-O 3.15Å
329	T	98.3	Very high	93.9	Very high	48 Å²	48	38.1 Å²	38.1	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	177.8	-171.8	-165.3	0	0	0	0	111.3	T327 V342 I343	T327-T329 HydrophobicContact CG2-CG2 4.08Å; T329-V342 WeakPolarHBondContact O-CA 3.31Å; T329-I343 HydrophobicContact CG2-CD1 3.84Å; T329-I343 HydrophobicContact CG2-CG1 3.65Å; T329-I343 PolarHBondContact N-O 3.18Å; T329-I343 VanDerWaalsContact N-O 3.08Å; T329-I343 PolarHBondContact O-N 3.27Å
330	S	98.3	Very high	95.5	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.2	174.1	168.1	0	0	0	0	111.1	T262 M332 K340 P341	T262-S330 WeakPolarHBondContact CG2-OG 3.47Å; S330-M332 PolarHBondContact O-N 3.45Å; S330-M332 VanDerWaalsContact OG-CE 3.31Å; S330-M332 WeakPolarHBondContact OG-CE 3.35Å; S330-K340 WeakPolarHBondContact OG-CB 3.42Å; S330-P341 CarbonylContact C-O 3.38Å; S330-P341 WeakPolarHBondContact CA-O 3.4Å; S330-P341 VanDerWaalsContact CB-O 3.24Å; S330-P341 WeakPolarHBondContact CB-O 3.46Å; S330-P341 PolarHBondContact OG-O 3.14Å
331	V	97.3	Very high	96.6	Very high	21 Å²	21	32.4 Å²	32.4	13%	0.127	19%	0.186	C	C	.	.			trans	-89.6	88.4	-178.4	-169.2	0	0	0	0	108.9	L52 S333 Y334 P341 I343	L52-V331 HydrophobicContact CD1-CG2 4.36Å; V331-S333 WeakPolarHBondContact CG1-OG 3.48Å; V331-S333 PolarHBondContact O-N 3.23Å; V331-Y334 HydrophobicContact CB-CD2 4.14Å; V331-Y334 HydrophobicContact CB-CE2 4.44Å; V331-Y334 HydrophobicContact CG1-CD2 3.72Å; V331-Y334 HydrophobicContact CG1-CE2 3.74Å; V331-P341 HydrophobicContact CB-CG 4.08Å; V331-P341 PolarHBondContact N-O 3.19Å; V331-I343 HydrophobicContact CG2-CD1 3.88Å; V331-I343 HydrophobicContact CG2-CG1 4.25Å; V331-I343 HydrophobicContact CG2-CG2 4.05Å
332	M	96.2	Very high	97.1	Very high	52 Å²	52	31.9 Å²	31.9	26%	0.256	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.2	-170.3	-65.6	-69.5	161.8	0	0	114.7	K260 T262 F265 S330 Y334 K340	K260-M332 HydrophobicContact CB-CE 3.85Å; K260-M332 VanDerWaalsContact O-CE 3.26Å; K260-M332 WeakPolarHBondContact O-CE 3.47Å; T262-M332 HydrophobicContact CG2-CE 4.46Å; F265-M332 HydrophobicContact CZ-SD 4.25Å; S330-M332 PolarHBondContact O-N 3.45Å; S330-M332 VanDerWaalsContact OG-CE 3.31Å; S330-M332 WeakPolarHBondContact OG-CE 3.35Å; M332-Y334 VanDerWaalsContact C-N 3.27Å; M332-Y334 PolarHBondContact O-N 2.76Å; M332-K340 WeakPolarHBondContact O-CE 3.3Å; M332-K340 PolarHBondContact O-NZ 3.15Å; M332-K340 HydrophobicContact SD-CB 4.03Å; M332-K340 HydrophobicContact SD-CD 4.46Å; M332-K340 HydrophobicContact SD-CG 3.77Å
333	S	95.2	Very high	97.3	Very high	88 Å²	88	27.1 Å²	27.1	62%	0.615	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.8	-177.9	50.4	0	0	0	0	113.5	V331	V331-S333 WeakPolarHBondContact CG1-OG 3.48Å; V331-S333 PolarHBondContact O-N 3.23Å
334	Y	96.1	Very high	97.4	Very high	19 Å²	19	26.5 Å²	26.5	8%	0.075	16%	0.156	C	C	.	.			trans	-76.6	127.7	179.3	-72.7	-76.2	0	0	0	111.6	W38 P46 D48 V49 S51 L52 V331 M332 K340 P341	W38-Y334 HydrophobicContact CH2-CD1 4Å; W38-Y334 HydrophobicContact CH2-CG 4.09Å; P46-Y334 HydrophobicContact CB-CD1 4.43Å; P46-Y334 HydrophobicContact CB-CE1 4.33Å; P46-Y334 HydrophobicContact CG-CD1 4.04Å; P46-Y334 HydrophobicContact CG-CE1 3.86Å; D48-Y334 WeakPolarHBondContact O-CE1 3.45Å; D48-Y334 PolarHBondContact O-OH 2.84Å; V49-Y334 VanDerWaalsContact CA-OH 3.31Å; V49-Y334 WeakPolarHBondContact CA-OH 3.33Å; S51-Y334 WeakPolarHBondContact OG-CE2 3.49Å; S51-Y334 PolarHBondContact OG-OH 2.79Å; L52-Y334 HydrophobicContact CB-CD2 4.48Å; L52-Y334 HydrophobicContact CB-CE2 3.64Å; L52-Y334 PolarHBondContact N-OH 3.06Å; V331-Y334 HydrophobicContact CB-CD2 4.14Å; V331-Y334 HydrophobicContact CB-CE2 4.44Å; V331-Y334 HydrophobicContact CG1-CD2 3.72Å; V331-Y334 HydrophobicContact CG1-CE2 3.74Å; M332-Y334 VanDerWaalsContact C-N 3.27Å; M332-Y334 PolarHBondContact O-N 2.76Å; Y334-K340 WeakPolarHBondContact O-CD 3.4Å; Y334-K340 WeakPolarHBondContact O-CE 3.33Å; Y334-K340 PolarHBondContact O-NZ 2.84Å; Y334-P341 HydrophobicContact CD2-CG 3.89Å; Y334-P341 HydrophobicContact CG-CG 4.28Å
335	G	95.4	Very high	97.5	Very high	17 Å²	17	24.4 Å²	24.4	18%	0.175	14%	0.143	C	C	.	.			trans	-121.8	3.9	-174.6	0	0	0	0	0	115.7	K268 S337	K268-G335 WeakPolarHBondContact CA-O 3.32Å; K268-G335 PolarHBondContact N-O 2.97Å; G335-S337 VanDerWaalsContact C-N 3.28Å; G335-S337 PolarHBondContact O-N 2.81Å
336	V	95.9	Very high	97.5	Very high	37 Å²	37	22.7 Å²	22.7	22%	0.224	14%	0.135	C	C	.	.	S	Bend	trans	-69	-26.5	-175.4	-62.4	0	0	0	0	113.3	W38 A43 P46 R267	W38-V336 HydrophobicContact CH2-CG2 3.37Å; W38-V336 HydrophobicContact CZ2-CG2 3.35Å; A43-V336 HydrophobicContact CB-CB 4.1Å; A43-V336 HydrophobicContact CB-CG2 4.25Å; P46-V336 HydrophobicContact CB-CG1 4.25Å; R267-V336 PolarHBondContact NE-O 2.94Å; R267-V336 PolarHBondContact NH2-O 3.29Å
337	S	97.5	Very high	97.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.123	C	C	.	.	S	Bend	trans	-110.2	164	179.4	-179.1	0	0	0	0	111.5	N39 A41 G335 H339	N39-S337 WeakPolarHBondContact O-CB 3.5Å; N39-S337 PolarHBondContact O-OG 2.86Å; A41-S337 WeakPolarHBondContact CB-OG 3.25Å; G335-S337 VanDerWaalsContact C-N 3.28Å; G335-S337 PolarHBondContact O-N 2.81Å; S337-H339 WeakPolarHBondContact CB-O 3.49Å; S337-H339 PolarHBondContact OG-N 3.38Å; S337-H339 VanDerWaalsContact OG-N 3.07Å
338	D	97.3	Very high	97.6	Very high	21 Å²	21	17.6 Å²	17.6	11%	0.112	11%	0.107	C	C	.	.	S	Bend	trans	-81	-0.9	165.6	63	-23.6	0	0	0	112.9	A41 K264 F265	A41-D338 WeakPolarHBondContact CB-OD1 3.43Å; K264-D338 WeakPolarHBondContact CE-OD2 3.01Å; K264-D338 HydrophobicContact CG-CB 3.97Å; K264-D338 IonicContact NZ-OD2 3.81Å; K264-D338 PolarHBondContact NZ-OD2 2.56Å; F265-D338 PolarHBondContact N-O 2.9Å; F265-D338 WeakPolarHBondContact O-CB 3.29Å
339	H	98.5	Very high	97.4	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.023	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-108.2	146.7	164.1	-68.5	-121	0	0	0	111.5	W38 N39 D208 T262 Y263 T284 D285 S337	W38-H339 PolarHBondContact NE1-O 2.92Å; N39-H339 HydrophobicContact CB-CB 4.05Å; N39-H339 WeakPolarHBondContact O-CB 3.23Å; D208-H339 IonicContact OD2-CE1 2.76Å; D208-H339 PolarHBondContact OD2-CE1 2.93Å; D208-H339 IonicContact OD2-NE2 3.24Å; T262-H339 CarbonylContact O-C 3.27Å; T262-H339 VanDerWaalsContact O-CA 3.3Å; T262-H339 WeakPolarHBondContact O-CA 3.33Å; Y263-H339 AromaticContact CD2-CD2 3.57Å; Y263-H339 AromaticContact CD2-CE1 3.47Å; Y263-H339 VanDerWaalsContact CD2-CE1 3.47Å; Y263-H339 WeakPolarHBondContact CD2-CE1 3.16Å; Y263-H339 AromaticContact CD2-NE2 3.08Å; Y263-H339 WeakPolarHBondContact CD2-NE2 3.5Å; Y263-H339 AromaticContact CE2-NE2 3.44Å; Y263-H339 WeakPolarHBondContact CE2-NE2 3.18Å; Y263-H339 AromaticContact CG-CE1 3.94Å; Y263-H339 AromaticContact CG-NE2 4Å; T284-H339 PolarHBondContact OG1-CE1 2.73Å; T284-H339 PolarHBondContact OG1-ND1 3.48Å; D285-H339 IonicContact OD1-CE1 2.74Å; D285-H339 IonicContact OD1-CG 3.52Å; D285-H339 IonicContact OD1-ND1 2.69Å; D285-H339 PolarHBondContact OD1-ND1 3.07Å; D285-H339 IonicContact OD2-CG 3.35Å; D285-H339 IonicContact OD2-ND1 2.95Å; D285-H339 PolarHBondContact OD2-ND1 3.24Å; S337-H339 WeakPolarHBondContact CB-O 3.49Å; S337-H339 PolarHBondContact OG-N 3.38Å; S337-H339 VanDerWaalsContact OG-N 3.07Å
340	K	98.3	Very high	97.1	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.101	C	C	.	.			trans	-96	135.4	170.5	-58.6	-66.9	-174.3	164.4	0	109.5	T262 F265 D270 S330 M332 Y334	T262-K340 HydrophobicContact CG2-CB 4.38Å; T262-K340 PolarHBondContact O-N 3.05Å; F265-K340 HydrophobicContact CD2-CD 4.37Å; F265-K340 HydrophobicContact CD2-CG 3.66Å; F265-K340 HydrophobicContact CE1-CG 4.43Å; F265-K340 HydrophobicContact CE2-CB 4.47Å; F265-K340 HydrophobicContact CE2-CD 4.43Å; F265-K340 HydrophobicContact CE2-CG 3.42Å; F265-K340 VanDerWaalsContact CE2-CG 3.42Å; F265-K340 HydrophobicContact CG-CG 4.26Å; F265-K340 HydrophobicContact CZ-CG 3.83Å; D270-K340 IonicContact OD1-NZ 3.36Å; D270-K340 PolarHBondContact OD1-NZ 2.87Å; S330-K340 WeakPolarHBondContact OG-CB 3.42Å; M332-K340 WeakPolarHBondContact O-CE 3.3Å; M332-K340 PolarHBondContact O-NZ 3.15Å; M332-K340 HydrophobicContact SD-CB 4.03Å; M332-K340 HydrophobicContact SD-CD 4.46Å; M332-K340 HydrophobicContact SD-CG 3.77Å; Y334-K340 WeakPolarHBondContact O-CD 3.4Å; Y334-K340 WeakPolarHBondContact O-CE 3.33Å; Y334-K340 PolarHBondContact O-NZ 2.84Å
341	P	98.5	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.			trans	-62.5	144.1	-179.7	25.7	-33.8	0	0	0	111.2	W38 L52 S330 V331 Y334	W38-P341 HydrophobicContact CB-CB 3.96Å; W38-P341 HydrophobicContact CD2-CB 3.85Å; W38-P341 HydrophobicContact CD2-CG 4.26Å; W38-P341 HydrophobicContact CE3-CB 4.27Å; W38-P341 HydrophobicContact CG-CB 3.7Å; L52-P341 HydrophobicContact CD1-CB 3.56Å; L52-P341 HydrophobicContact CD1-CG 3.85Å; S330-P341 CarbonylContact C-O 3.38Å; S330-P341 WeakPolarHBondContact CA-O 3.4Å; S330-P341 VanDerWaalsContact CB-O 3.24Å; S330-P341 WeakPolarHBondContact CB-O 3.46Å; S330-P341 PolarHBondContact OG-O 3.14Å; V331-P341 HydrophobicContact CB-CG 4.08Å; V331-P341 PolarHBondContact N-O 3.19Å; Y334-P341 HydrophobicContact CD2-CG 3.89Å; Y334-P341 HydrophobicContact CG-CG 4.28Å
342	V	98.9	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	173.8	174.1	0	0	0	0	108.8	V36 T37 F259 T262 D285 I287 Y328 T329	V36-V342 WeakPolarHBondContact CA-O 3.48Å; T37-V342 HydrophobicContact CG2-CB 3.66Å; T37-V342 HydrophobicContact CG2-CG1 4.22Å; T37-V342 PolarHBondContact N-O 2.91Å; T37-V342 PolarHBondContact O-N 3.46Å; F259-V342 HydrophobicContact CE2-CG2 4.03Å; F259-V342 HydrophobicContact CZ-CG1 4.24Å; F259-V342 HydrophobicContact CZ-CG2 4.45Å; T262-V342 HydrophobicContact CG2-CG2 3.6Å; D285-V342 HydrophobicContact CB-CB 4.42Å; D285-V342 HydrophobicContact CB-CG2 3.74Å; I287-V342 HydrophobicContact CD1-CG1 4.1Å; I287-V342 HydrophobicContact CG1-CG1 4.31Å; Y328-V342 HydrophobicContact CD2-CG1 4.14Å; Y328-V342 HydrophobicContact CE2-CG1 3.54Å; T329-V342 WeakPolarHBondContact O-CA 3.31Å
343	I	98.8	Very high	96.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.2	178.8	65	171.8	0	0	0	111.3	M35 V36 L52 Q54 Y328 T329 V331	M35-I343 CarbonylContact O-C 3.5Å; M35-I343 WeakPolarHBondContact O-CA 3.41Å; V36-I343 HydrophobicContact CG2-CG2 4.11Å; L52-I343 HydrophobicContact CD1-CG2 3.84Å; Q54-I343 HydrophobicContact CG-CD1 4.23Å; Q54-I343 VanDerWaalsContact NE2-CD1 3.29Å; Y328-I343 WeakPolarHBondContact CA-O 3.15Å; T329-I343 HydrophobicContact CG2-CD1 3.84Å; T329-I343 HydrophobicContact CG2-CG1 3.65Å; T329-I343 PolarHBondContact N-O 3.18Å; T329-I343 VanDerWaalsContact N-O 3.08Å; T329-I343 PolarHBondContact O-N 3.27Å; V331-I343 HydrophobicContact CG2-CD1 3.88Å; V331-I343 HydrophobicContact CG2-CG1 4.25Å; V331-I343 HydrophobicContact CG2-CG2 4.05Å
344	G	98.4	Very high	95.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.8	175.1	0	0	0	0	0	110.3	M35 T327	M35-G344 PolarHBondContact N-O 3.44Å; M35-G344 PolarHBondContact O-N 3.3Å; T327-G344 CarbonylContact O-C 3.6Å; T327-G344 WeakPolarHBondContact O-CA 3.36Å
345	N	98.2	Very high	95.6	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.059	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131	173.6	-72.3	-31.5	0	0	0	109.6	L33 H34 Q54 Q325 N326 T327	L33-N345 WeakPolarHBondContact O-CA 3.41Å; H34-N345 PolarHBondContact ND1-OD1 2.84Å; Q54-N345 PolarHBondContact OE1-ND2 2.88Å; Q54-N345 PolarHBondContact OE1-OD1 2.75Å; Q325-N345 CarbonylContact C-O 3.41Å; N326-N345 HydrophobicContact CB-CB 4.5Å; N326-N345 PolarHBondContact N-O 3.25Å; N326-N345 PolarHBondContact OD1-O 3.42Å; T327-N345 PolarHBondContact N-O 3.27Å; T327-N345 PolarHBondContact O-N 2.79Å
346	F	98.4	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.5	-178.4	-60.1	-96.8	0	0	0	111.3	L33 M35 F204 I287 W289 V323 T324 Q325 N326 L348	L33-F346 HydrophobicContact CB-CB 4.2Å; L33-F346 HydrophobicContact CD2-CB 4.4Å; L33-F346 HydrophobicContact CD2-CD2 4.36Å; L33-F346 HydrophobicContact CG-CD2 4.48Å; L33-F346 PolarHBondContact N-O 3.33Å; L33-F346 PolarHBondContact O-N 3.48Å; M35-F346 HydrophobicContact CB-CE2 4.29Å; M35-F346 HydrophobicContact CG-CD2 4.08Å; M35-F346 HydrophobicContact CG-CE2 3.95Å; M35-F346 HydrophobicContact SD-CD2 4.09Å; M35-F346 HydrophobicContact SD-CE2 3.63Å; M35-F346 HydrophobicContact SD-CZ 4.35Å; F204-F346 HydrophobicContact CD1-CZ 4.34Å; F204-F346 AromaticContact CE1-CD1 3.9Å; F204-F346 HydrophobicContact CE1-CD1 3.9Å; F204-F346 HydrophobicContact CE1-CD2 4.26Å; F204-F346 AromaticContact CE1-CE1 3.86Å; F204-F346 HydrophobicContact CE1-CE1 3.86Å; F204-F346 HydrophobicContact CE1-CE2 4.25Å; F204-F346 HydrophobicContact CE1-CG 4.09Å; F204-F346 HydrophobicContact CE1-CZ 4.04Å; I287-F346 HydrophobicContact CG2-CE2 4.02Å; I287-F346 HydrophobicContact CG2-CZ 3.82Å; W289-F346 HydrophobicContact CD2-CE1 4Å; W289-F346 AromaticContact CE3-CE1 3.64Å; W289-F346 HydrophobicContact CE3-CE1 3.64Å; W289-F346 HydrophobicContact CE3-CZ 4.16Å; W289-F346 HydrophobicContact CZ3-CE1 4Å; V323-F346 HydrophobicContact CG1-CD1 3.77Å; V323-F346 HydrophobicContact CG1-CE1 4.42Å; T324-F346 CarbonylContact O-C 3.6Å; T324-F346 VanDerWaalsContact O-CA 3.24Å; T324-F346 WeakPolarHBondContact O-CA 3.48Å; Q325-F346 HydrophobicContact CB-CD1 3.78Å; Q325-F346 HydrophobicContact CB-CE1 3.59Å; Q325-F346 HydrophobicContact CB-CZ 4.39Å; Q325-F346 HydrophobicContact CG-CD1 4.02Å; Q325-F346 HydrophobicContact CG-CE1 3.59Å; Q325-F346 HydrophobicContact CG-CZ 3.89Å; Q325-F346 VanDerWaalsContact NE2-CZ 3.32Å; N326-F346 WeakPolarHBondContact OD1-CA 3.23Å; F346-L348 HydrophobicContact CB-CD2 4.43Å
347	T	98	Very high	95.5	Very high	19 Å²	19	29.1 Å²	29.1	12%	0.117	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128	157.4	-44	0	0	0	0	107.8	A30 F31 R32 T324 N326 E349	A30-T347 HydrophobicContact CB-CG2 3.95Å; F31-T347 CarbonylContact O-C 3.57Å; F31-T347 WeakPolarHBondContact O-CA 3.42Å; R32-T347 PolarHBondContact NH1-OG1 2.96Å; T324-T347 PolarHBondContact N-O 2.79Å; T324-T347 PolarHBondContact O-N 3.33Å; N326-T347 PolarHBondContact ND2-OG1 3.32Å; N326-T347 PolarHBondContact OD1-N 3.37Å; N326-T347 PolarHBondContact OD1-OG1 3.13Å; T347-E349 HydrophobicContact CG2-CG 3.91Å
348	L	96.9	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.8	167.4	-48.5	179.5	0	0	0	107.4	A30 F31 L33 M159 F204 V323 F346	A30-L348 WeakPolarHBondContact CA-O 3.32Å; F31-L348 HydrophobicContact CB-CB 4.4Å; F31-L348 PolarHBondContact N-O 2.92Å; F31-L348 PolarHBondContact O-N 3.02Å; L33-L348 HydrophobicContact CB-CD1 4.18Å; L33-L348 HydrophobicContact CB-CG 4.32Å; L33-L348 HydrophobicContact CD2-CD1 4.31Å; L33-L348 HydrophobicContact CD2-CD2 4.44Å; M159-L348 HydrophobicContact CE-CD1 3.92Å; M159-L348 HydrophobicContact SD-CD1 4.11Å; F204-L348 HydrophobicContact CE2-CD2 4.4Å; F204-L348 HydrophobicContact CZ-CD2 3.89Å; V323-L348 HydrophobicContact CB-CD2 4.47Å; V323-L348 HydrophobicContact CG1-CD2 4.08Å; V323-L348 HydrophobicContact CG2-CD2 3.99Å; F346-L348 HydrophobicContact CB-CD2 4.43Å
349	E	95.1	Very high	95.3	Very high	55 Å²	55	28.3 Å²	28.3	26%	0.257	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.5	174.3	-76.3	165	114.6	0	0	108.4	D29 A30 M322 T347	D29-E349 WeakPolarHBondContact O-CA 3.49Å; A30-E349 HydrophobicContact CB-CG 4Å; M322-E349 HydrophobicContact CB-CB 4.22Å; M322-E349 HydrophobicContact CE-CB 4.41Å; M322-E349 WeakPolarHBondContact CE-OE2 3.48Å; M322-E349 PolarHBondContact N-O 3.41Å; M322-E349 PolarHBondContact O-N 3.09Å; T347-E349 HydrophobicContact CG2-CG 3.91Å
350	L	92.3	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.4	-174.7	65.9	83.3	0	0	0	111.3	D29 F31 F154 M159 I321 K352	D29-L350 PolarHBondContact N-O 3.24Å; D29-L350 PolarHBondContact O-N 3.46Å; F31-L350 HydrophobicContact CD2-CD1 4.27Å; F31-L350 HydrophobicContact CD2-CD2 4.12Å; F31-L350 HydrophobicContact CD2-CG 3.95Å; F31-L350 HydrophobicContact CE2-CD1 3.66Å; F31-L350 HydrophobicContact CE2-CD2 4.29Å; F31-L350 HydrophobicContact CE2-CG 3.86Å; F154-L350 HydrophobicContact CD1-CD2 3.94Å; F154-L350 HydrophobicContact CE1-CD2 4.3Å; M159-L350 HydrophobicContact CE-CD2 3.85Å; I321-L350 HydrophobicContact CB-CB 4.49Å; I321-L350 HydrophobicContact CD1-CB 4.06Å; I321-L350 HydrophobicContact CD1-CD2 3.81Å; I321-L350 HydrophobicContact CG1-CB 4.07Å; L350-K352 HydrophobicContact CD1-CG 4.38Å
351	R	90.6	Very high	95.2	Very high	99 Å²	99	32 Å²	32	37%	0.374	16%	0.155	S	C	.	.			trans	-91.6	129.8	167.5	178.7	178.2	173.1	177.2	-8.2	109.4	H157 Y319 Y353	H157-R351 PolarHBondContact NE2-O 2.9Å; Y319-R351 HydrophobicContact CG-CB 4.33Å; Y319-R351 PolarHBondContact OH-NH1 3.23Å; R351-Y353 PolarHBondContact O-N 3.18Å
352	K	91.8	Very high	95.1	Very high	57 Å²	57	33.9 Å²	33.9	25%	0.248	17%	0.17	C	C	.	.			trans	-67.3	128.9	173.7	-58.8	173.2	-178.3	135.3	0	110.3	D29 Y155 L350 D355	D29-K352 VanDerWaalsContact CG-CE 3.43Å; D29-K352 IonicContact OD1-NZ 2.69Å; D29-K352 PolarHBondContact OD1-NZ 2.89Å; D29-K352 VanDerWaalsContact OD2-CD 3.3Å; D29-K352 WeakPolarHBondContact OD2-CD 3.46Å; D29-K352 WeakPolarHBondContact OD2-CE 3.35Å; D29-K352 WeakPolarHBondContact OD2-CG 3.49Å; D29-K352 IonicContact OD2-NZ 3.61Å; D29-K352 PolarHBondContact OD2-NZ 3.03Å; Y155-K352 HydrophobicContact CD1-CB 4.04Å; Y155-K352 HydrophobicContact CD1-CD 3.56Å; Y155-K352 HydrophobicContact CD1-CG 3.51Å; Y155-K352 HydrophobicContact CE1-CD 3.7Å; Y155-K352 HydrophobicContact CE1-CG 4.15Å; Y155-K352 HydrophobicContact CG-CB 4.38Å; Y155-K352 HydrophobicContact CG-CD 4.23Å; Y155-K352 HydrophobicContact CG-CG 3.74Å; L350-K352 HydrophobicContact CD1-CG 4.38Å; K352-D355 HydrophobicContact CD-CB 4.09Å
353	Y	89.9	Confident	95.1	Very high	74 Å²	74	35.6 Å²	35.6	29%	0.29	18%	0.182	S	C	.	.	S	Bend	trans	-76.4	-31.9	168.4	-72.8	-101.5	0	0	0	111.1	Y155 H157 K201 Q316 Y319 R351	Y155-Y353 PolarHBondContact O-N 3.14Å; H157-Y353 AromaticContact CD2-CD2 3.87Å; H157-Y353 AromaticContact CD2-CE2 3.8Å; H157-Y353 AromaticContact CE1-CE2 3.45Å; H157-Y353 VanDerWaalsContact CE1-CE2 3.45Å; H157-Y353 WeakPolarHBondContact CE1-CE2 3.18Å; H157-Y353 AromaticContact ND1-CE2 3.93Å; H157-Y353 AromaticContact NE2-CD2 3.64Å; H157-Y353 AromaticContact NE2-CE2 3.32Å; H157-Y353 VanDerWaalsContact NE2-CE2 3.32Å; H157-Y353 WeakPolarHBondContact NE2-CE2 3.48Å; K201-Y353 PolarHBondContact NZ-OH 3.47Å; Q316-Y353 HydrophobicContact CB-CE1 4.2Å; Q316-Y353 HydrophobicContact CG-CE1 3.97Å; Q316-Y353 PolarHBondContact O-OH 3.05Å; Y319-Y353 HydrophobicContact CD2-CE1 4.35Å; R351-Y353 PolarHBondContact O-N 3.18Å
354	F	90.3	Very high	94.9	Very high	38 Å²	38	37.3 Å²	37.3	17%	0.167	20%	0.195	C	C	.	.			trans	-137.5	138.6	175.6	48.3	-104.9	0	0	0	109.3	F125 R127 Y155	F125-F354 HydrophobicContact CB-CE2 4.03Å; F125-F354 AromaticContact CD1-CD2 3.97Å; F125-F354 HydrophobicContact CD1-CD2 3.97Å; F125-F354 HydrophobicContact CD1-CE2 4.28Å; R127-F354 HydrophobicContact CG-CZ 4.44Å; Y155-F354 VanDerWaalsContact CA-CE2 3.49Å; Y155-F354 WeakPolarHBondContact CD1-O 3.28Å
355	D	88.6	Confident	94.7	Very high	114 Å²	114	40.6 Å²	40.6	61%	0.61	23%	0.23	S	C	*	.			trans	-126.2	3.4	173.3	66.8	-5.7	0	0	0	112.4	F125 K352	F125-D355 VanDerWaalsContact CE1-O 3.25Å; F125-D355 WeakPolarHBondContact CE1-O 3.25Å; F125-D355 VanDerWaalsContact CZ-O 3.3Å; F125-D355 WeakPolarHBondContact CZ-O 3.48Å; K352-D355 HydrophobicContact CD-CB 4.09Å
356	T	92.8	Very high	94.5	Very high	79 Å²	79	47.2 Å²	47.2	49%	0.485	26%	0.26	S	S	.	.	S	Bend	trans	-105.7	135.3	175	-56.2	0	0	0	0	109.4	R127 L380	R127-T356 PolarHBondContact NH2-O 3.33Å; T356-L380 HydrophobicContact CG2-CD1 3.85Å
357	Q	96	Very high	94.5	Very high	36 Å²	36	47.3 Å²	47.3	17%	0.168	26%	0.261	C	S	.	.			trans	-68.4	157.7	177	61.2	-173.6	28.5	0	0	111.2	P124 V359 L380 L453	P124-Q357 HydrophobicContact CB-CB 3.66Å; P124-Q357 HydrophobicContact CG-CB 4.47Å; Q357-V359 VanDerWaalsContact C-N 3.34Å; Q357-V359 VanDerWaalsContact CD-O 3.31Å; Q357-V359 WeakPolarHBondContact CG-O 2.9Å; Q357-V359 PolarHBondContact NE2-O 2.71Å; Q357-L380 WeakPolarHBondContact O-CD1 3.27Å; Q357-L453 PolarHBondContact NE2-O 2.93Å; Q357-L453 PolarHBondContact OE1-O 3.49Å
358	L	95.9	Very high	94.4	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	26%	0.258	C	S	.	.	S	Bend	trans	-74.8	-29.3	-178.5	-68.5	175.9	0	0	0	112.1	R127 L380 E381 F383 L447 V451	R127-L358 VanDerWaalsContact CZ-CG 3.44Å; R127-L358 VanDerWaalsContact NH1-CD2 3.3Å; L358-L380 PolarHBondContact O-N 3.35Å; L358-E381 HydrophobicContact CD2-CB 3.85Å; L358-E381 HydrophobicContact CD2-CG 4.22Å; L358-F383 HydrophobicContact CB-CD1 3.95Å; L358-F383 HydrophobicContact CB-CE1 3.94Å; L358-F383 HydrophobicContact CD1-CB 4.04Å; L358-F383 HydrophobicContact CD1-CD1 3.89Å; L358-F383 HydrophobicContact CD1-CD2 4.28Å; L358-F383 HydrophobicContact CD1-CE1 4.41Å; L358-F383 HydrophobicContact CD1-CG 3.82Å; L358-F383 HydrophobicContact CD2-CD1 4.4Å; L358-F383 HydrophobicContact CG-CD1 4.3Å; L358-L447 HydrophobicContact CD1-CD1 3.66Å; L358-V451 HydrophobicContact CB-CB 4.11Å; L358-V451 HydrophobicContact CB-CG2 4.36Å; L358-V451 HydrophobicContact CD1-CB 4Å; L358-V451 HydrophobicContact CD1-CG1 4.07Å; L358-V451 HydrophobicContact CG-CB 4.41Å; L358-V451 PolarHBondContact N-O 3.19Å
359	V	96.3	Very high	94.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.6	-176.6	-177.3	0	0	0	0	109.4	Q357 Y377 T378 I379 F383 Y442 V451 G452	Q357-V359 VanDerWaalsContact C-N 3.34Å; Q357-V359 VanDerWaalsContact CD-O 3.31Å; Q357-V359 WeakPolarHBondContact CG-O 2.9Å; Q357-V359 PolarHBondContact NE2-O 2.71Å; V359-Y377 HydrophobicContact CG1-CD2 4.11Å; V359-T378 CarbonylContact C-O 3.58Å; V359-T378 WeakPolarHBondContact CA-O 3.42Å; V359-I379 HydrophobicContact CG2-CG1 4.43Å; V359-F383 HydrophobicContact CG2-CE1 3.77Å; V359-F383 HydrophobicContact CG2-CZ 3.89Å; V359-Y442 HydrophobicContact CB-CD2 4.15Å; V359-Y442 HydrophobicContact CB-CG 4.07Å; V359-Y442 HydrophobicContact CG1-CD2 3.6Å; V359-Y442 HydrophobicContact CG1-CE2 4.13Å; V359-Y442 HydrophobicContact CG1-CG 3.98Å; V359-Y442 HydrophobicContact CG2-CD1 4Å; V359-Y442 HydrophobicContact CG2-CD2 3.99Å; V359-Y442 HydrophobicContact CG2-CE1 4.14Å; V359-Y442 HydrophobicContact CG2-CE2 4.05Å; V359-Y442 HydrophobicContact CG2-CG 3.93Å; V359-V451 HydrophobicContact CG2-CG2 4.13Å; V359-V451 PolarHBondContact N-O 3.23Å; V359-G452 VanDerWaalsContact O-CA 3.23Å; V359-G452 WeakPolarHBondContact O-CA 3.42Å
360	D	96.6	Very high	94.4	Very high	81 Å²	81	47.3 Å²	47.3	43%	0.433	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.3	164.8	-167.1	31.8	0	0	0	110.2	Y377 T378 L380	D360-Y377 CarbonylContact O-C 3.5Å; D360-Y377 WeakPolarHBondContact O-CA 3.25Å; D360-Y377 WeakPolarHBondContact O-CB 3.18Å; D360-T378 PolarHBondContact N-O 2.72Å; D360-T378 PolarHBondContact O-N 2.61Å; D360-L380 HydrophobicContact CB-CD1 4.07Å; D360-L380 HydrophobicContact CB-CD2 4.03Å; D360-L380 HydrophobicContact CB-CG 4.18Å
361	L	96.5	Very high	94.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.6	177.2	67.1	169.4	0	0	0	112.2	T376 I391 L440 G452 S454	L361-T376 CarbonylContact C-O 3.57Å; L361-T376 VanDerWaalsContact CA-O 3.22Å; L361-T376 WeakPolarHBondContact CA-O 3.47Å; L361-T376 WeakPolarHBondContact CB-O 3.3Å; L361-I391 HydrophobicContact CD1-CG2 3.8Å; L361-L440 HydrophobicContact CD1-CB 3.51Å; L361-L440 HydrophobicContact CG-CB 4.13Å; L361-G452 VanDerWaalsContact CD2-C 3.44Å; L361-S454 WeakPolarHBondContact O-CA 3.31Å; L361-S454 WeakPolarHBondContact O-CB 3.4Å
362	A	97.6	Very high	94.8	Very high	38 Å²	38	51.1 Å²	51.1	31%	0.314	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.3	-177.4	0	0	0	0	0	111.8	L375 T376	A362-L375 WeakPolarHBondContact O-CA 3.41Å; A362-T376 PolarHBondContact N-O 3.36Å; A362-T376 PolarHBondContact O-N 3Å
363	P	97.4	Very high	95.1	Very high	37 Å²	37	48.5 Å²	48.5	24%	0.24	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.2	165.8	32.7	-36.6	0	0	0	109.8	W367 L440 F457	P363-W367 HydrophobicContact CB-CD2 4.5Å; P363-W367 HydrophobicContact CB-CZ2 4.05Å; P363-L440 HydrophobicContact CB-CD1 4.37Å; P363-F457 HydrophobicContact CB-CD1 4.33Å; P363-F457 HydrophobicContact CB-CD2 3.89Å; P363-F457 HydrophobicContact CB-CE1 4.34Å; P363-F457 HydrophobicContact CB-CE2 3.88Å; P363-F457 HydrophobicContact CB-CG 4.11Å; P363-F457 HydrophobicContact CB-CZ 4.1Å; P363-F457 HydrophobicContact CG-CB 3.9Å; P363-F457 HydrophobicContact CG-CD1 3.76Å; P363-F457 HydrophobicContact CG-CD2 3.87Å; P363-F457 HydrophobicContact CG-CE1 4.2Å; P363-F457 HydrophobicContact CG-CE2 4.28Å; P363-F457 HydrophobicContact CG-CG 3.58Å; P363-F457 HydrophobicContact CG-CZ 4.42Å
364	A	95.9	Very high	95.4	Very high	36 Å²	36	47.9 Å²	47.9	30%	0.298	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.8	173.4	0	0	0	0	0	110.6	W367 L374	A364-W367 PolarHBondContact O-NE1 3.48Å; A364-L374 HydrophobicContact CB-CB 3.96Å; A364-L374 WeakPolarHBondContact CB-O 3.37Å; A364-L374 PolarHBondContact N-O 3.34Å
365	G	93.6	Very high	95.8	Very high	70 Å²	70	46.2 Å²	46.2	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	69.1	-163.2	180	0	0	0	0	0	114
366	E	94.5	Very high	96.2	Very high	150 Å²	150	42.7 Å²	42.7	70%	0.701	26%	0.255	S	S	*	.			trans	-90.8	129.6	176.7	-67.1	-176.1	151.2	0	0	110.6	H371 L460	E366-H371 PolarHBondContact O-NE2 2.77Å; E366-L460 HydrophobicContact CB-CD1 4.43Å
367	W	97.7	Very high	96.3	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.5	-179.1	-75.8	34.8	0	0	0	110.6	P363 A364 A373 L374 L375 L393 V426 L431 L440 F457 I459 L460	P363-W367 HydrophobicContact CB-CD2 4.5Å; P363-W367 HydrophobicContact CB-CZ2 4.05Å; A364-W367 PolarHBondContact O-NE1 3.48Å; W367-A373 HydrophobicContact CB-CB 4.49Å; W367-A373 HydrophobicContact CD2-CB 3.49Å; W367-A373 VanDerWaalsContact CD2-CB 3.49Å; W367-A373 HydrophobicContact CE3-CB 3.89Å; W367-A373 HydrophobicContact CG-CB 3.76Å; W367-A373 HydrophobicContact CH2-CB 4.4Å; W367-A373 HydrophobicContact CZ2-CB 4.04Å; W367-A373 HydrophobicContact CZ3-CB 4.33Å; W367-L374 VanDerWaalsContact CZ2-O 3.24Å; W367-L374 WeakPolarHBondContact CZ2-O 3.42Å; W367-L374 PolarHBondContact NE1-O 3.3Å; W367-L375 HydrophobicContact CH2-CB 4.4Å; W367-L375 HydrophobicContact CH2-CD2 4.23Å; W367-L375 HydrophobicContact CZ2-CB 3.97Å; W367-L393 HydrophobicContact CE3-CD1 4.45Å; W367-L393 HydrophobicContact CZ3-CD1 3.92Å; W367-L393 HydrophobicContact CZ3-CD2 4.22Å; W367-V426 HydrophobicContact CH2-CG2 3.85Å; W367-V426 HydrophobicContact CZ3-CG2 4.35Å; W367-L431 HydrophobicContact CE3-CD2 3.86Å; W367-L431 HydrophobicContact CZ3-CD2 3.97Å; W367-L440 HydrophobicContact CH2-CD1 4.42Å; W367-L440 HydrophobicContact CH2-CD2 3.84Å; W367-L440 HydrophobicContact CZ2-CD1 4.5Å; W367-L440 HydrophobicContact CZ3-CD2 4.3Å; W367-F457 HydrophobicContact CB-CE2 4.41Å; W367-F457 AromaticContact CD2-CE2 3.7Å; W367-F457 HydrophobicContact CD2-CE2 3.7Å; W367-F457 HydrophobicContact CD2-CZ 4.32Å; W367-F457 AromaticContact CE3-CE2 3.71Å; W367-F457 HydrophobicContact CE3-CE2 3.71Å; W367-F457 HydrophobicContact CE3-CZ 4.04Å; W367-F457 HydrophobicContact CG-CE2 4.04Å; W367-F457 HydrophobicContact CH2-CZ 4.48Å; W367-F457 HydrophobicContact CZ3-CE2 4.27Å; W367-F457 HydrophobicContact CZ3-CZ 4.13Å; W367-I459 HydrophobicContact CB-CB 4.49Å; W367-I459 HydrophobicContact CB-CG1 3.89Å; W367-I459 HydrophobicContact CB-CG2 4.45Å; W367-I459 HydrophobicContact CE3-CD1 3.88Å; W367-I459 HydrophobicContact CE3-CG1 4.28Å; W367-I459 WeakPolarHBondContact O-CA 3.4Å; W367-L460 PolarHBondContact O-N 3.44Å
368	S	96.4	Very high	96.2	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	155	169.5	71.8	0	0	0	0	108.5	D370 H371 L431	S368-D370 PolarHBondContact O-N 2.91Å; S368-D370 WeakPolarHBondContact OG-CB 3.42Å; S368-D370 PolarHBondContact OG-N 3.05Å; S368-H371 PolarHBondContact O-N 2.97Å; S368-H371 VanDerWaalsContact O-O 3.12Å; S368-H371 PolarHBondContact OG-CE1 3.12Å; S368-L431 WeakPolarHBondContact O-CD1 3.32Å
369	A	95.6	Very high	96.1	Very high	14 Å²	14	38.3 Å²	38.3	12%	0.116	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	17.2	175.3	0	0	0	0	0	114.4	L431 L433	A369-L431 HydrophobicContact CB-CB 3.94Å; A369-L433 HydrophobicContact CB-CD2 3.78Å
370	D	95.3	Very high	96	Very high	52 Å²	52	41.1 Å²	41.1	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.1	173.7	-70.6	-13.7	0	0	0	112.6	S368 S462 K463	S368-D370 PolarHBondContact O-N 2.91Å; S368-D370 WeakPolarHBondContact OG-CB 3.42Å; S368-D370 PolarHBondContact OG-N 3.05Å; D370-S462 WeakPolarHBondContact OD1-CA 2.92Å; D370-S462 WeakPolarHBondContact OD1-CB 3.39Å; D370-K463 PolarHBondContact OD1-N 3.05Å; D370-K463 VanDerWaalsContact OD2-CD 3.24Å; D370-K463 WeakPolarHBondContact OD2-CD 3.48Å; D370-K463 VanDerWaalsContact OD2-CE 3.22Å; D370-K463 WeakPolarHBondContact OD2-CE 3.2Å; D370-K463 VanDerWaalsContact OD2-CG 3.23Å; D370-K463 WeakPolarHBondContact OD2-CG 3.25Å; D370-K463 IonicContact OD2-NZ 2.64Å
371	H	95.6	Very high	95.7	Very high	89 Å²	89	42 Å²	42	41%	0.412	25%	0.246	S	C	.	.	S	Bend	trans	-149.7	159.5	-176.3	55.5	-89.1	0	0	0	111.3	E366 S368 A373 K428	E366-H371 PolarHBondContact O-NE2 2.77Å; S368-H371 PolarHBondContact O-N 2.97Å; S368-H371 VanDerWaalsContact O-O 3.12Å; S368-H371 PolarHBondContact OG-CE1 3.12Å; H371-A373 PolarHBondContact O-N 2.87Å; H371-K428 VanDerWaalsContact C-CB 3.42Å; H371-K428 WeakPolarHBondContact O-CB 3.44Å
372	D	96.8	Very high	95.2	Very high	90 Å²	90	48 Å²	48	48%	0.481	28%	0.278	S	S	.	.			trans	-63.2	135.5	176.3	-65.3	-14	0	0	0	109.3	V426 K428	D372-V426 WeakPolarHBondContact CA-O 3.46Å; D372-K428 PolarHBondContact OD1-N 2.69Å
373	A	97.4	Very high	94.8	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	151	-177.9	0	0	0	0	0	110.9	W367 H371 S425 V426 L431	W367-A373 HydrophobicContact CB-CB 4.49Å; W367-A373 HydrophobicContact CD2-CB 3.49Å; W367-A373 VanDerWaalsContact CD2-CB 3.49Å; W367-A373 HydrophobicContact CE3-CB 3.89Å; W367-A373 HydrophobicContact CG-CB 3.76Å; W367-A373 HydrophobicContact CH2-CB 4.4Å; W367-A373 HydrophobicContact CZ2-CB 4.04Å; W367-A373 HydrophobicContact CZ3-CB 4.33Å; H371-A373 PolarHBondContact O-N 2.87Å; A373-S425 CarbonylContact O-C 3.59Å; A373-S425 WeakPolarHBondContact O-CA 3.3Å; A373-V426 HydrophobicContact CB-CB 4.48Å; A373-V426 PolarHBondContact N-O 3.49Å; A373-V426 PolarHBondContact O-N 3.31Å; A373-L431 HydrophobicContact CB-CD1 3.72Å
374	L	97.5	Very high	94.3	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.325	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.1	179.4	-63.4	175.7	0	0	0	110	A364 W367 E423 K424	A364-L374 HydrophobicContact CB-CB 3.96Å; A364-L374 WeakPolarHBondContact CB-O 3.37Å; A364-L374 PolarHBondContact N-O 3.34Å; W367-L374 VanDerWaalsContact CZ2-O 3.24Å; W367-L374 WeakPolarHBondContact CZ2-O 3.42Å; W367-L374 PolarHBondContact NE1-O 3.3Å; L374-E423 HydrophobicContact CB-CG 4.49Å; L374-E423 HydrophobicContact CD2-CG 4.3Å; L374-K424 WeakPolarHBondContact CA-O 3.39Å
375	L	97.4	Very high	93.7	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.8	167	64.8	89.2	0	0	0	110.2	A362 W367 Y377 I391 V408 E423 K424 V426 L440	A362-L375 WeakPolarHBondContact O-CA 3.41Å; W367-L375 HydrophobicContact CH2-CB 4.4Å; W367-L375 HydrophobicContact CH2-CD2 4.23Å; W367-L375 HydrophobicContact CZ2-CB 3.97Å; L375-Y377 HydrophobicContact CD1-CD1 4.32Å; L375-I391 HydrophobicContact CD1-CD1 3.69Å; L375-I391 HydrophobicContact CD2-CG2 3.97Å; L375-V408 HydrophobicContact CD2-CG2 4.06Å; L375-E423 CarbonylContact O-C 3.54Å; L375-E423 WeakPolarHBondContact O-CA 3.08Å; L375-K424 HydrophobicContact CD1-CB 3.82Å; L375-K424 HydrophobicContact CD1-CG 4.3Å; L375-K424 HydrophobicContact CG-CB 3.98Å; L375-K424 PolarHBondContact N-O 3.39Å; L375-K424 PolarHBondContact O-N 3.13Å; L375-V426 HydrophobicContact CD2-CG2 3.94Å; L375-L440 HydrophobicContact CB-CD1 3.8Å; L375-L440 HydrophobicContact CD2-CD1 4.21Å; L375-L440 HydrophobicContact CD2-CD2 4.21Å
376	T	96.5	Very high	93.4	Very high	40 Å²	40	49 Å²	49	25%	0.245	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147	169.1	55.6	0	0	0	0	110.6	L361 A362 V421 I422	L361-T376 CarbonylContact C-O 3.57Å; L361-T376 VanDerWaalsContact CA-O 3.22Å; L361-T376 WeakPolarHBondContact CA-O 3.47Å; L361-T376 WeakPolarHBondContact CB-O 3.3Å; A362-T376 PolarHBondContact N-O 3.36Å; A362-T376 PolarHBondContact O-N 3Å; T376-V421 HydrophobicContact CG2-CG1 4.21Å; T376-I422 CarbonylContact C-O 3.57Å; T376-I422 WeakPolarHBondContact CA-O 3.36Å
377	Y	95.8	Very high	93.1	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.7	166.6	75.9	-85.2	0	0	0	111.8	V359 D360 L375 I391 V410 P416 I422 K424 Y442	V359-Y377 HydrophobicContact CG1-CD2 4.11Å; D360-Y377 CarbonylContact O-C 3.5Å; D360-Y377 WeakPolarHBondContact O-CA 3.25Å; D360-Y377 WeakPolarHBondContact O-CB 3.18Å; L375-Y377 HydrophobicContact CD1-CD1 4.32Å; Y377-I391 HydrophobicContact CD1-CD1 3.51Å; Y377-I391 HydrophobicContact CE1-CD1 4.18Å; Y377-I391 HydrophobicContact CG-CD1 3.78Å; Y377-V410 HydrophobicContact CE1-CG1 4.33Å; Y377-V410 HydrophobicContact CE2-CG1 3.84Å; Y377-V410 VanDerWaalsContact OH-CG1 3.3Å; Y377-V410 WeakPolarHBondContact OH-CG1 3.41Å; Y377-V410 PolarHBondContact OH-O 2.78Å; Y377-P416 HydrophobicContact CE2-CG 4.32Å; Y377-I422 HydrophobicContact CD1-CB 4.13Å; Y377-I422 HydrophobicContact CD1-CG2 4.24Å; Y377-I422 HydrophobicContact CE1-CB 3.62Å; Y377-I422 HydrophobicContact CE1-CD1 4.48Å; Y377-I422 HydrophobicContact CE1-CG2 3.42Å; Y377-I422 VanDerWaalsContact CE1-CG2 3.42Å; Y377-I422 HydrophobicContact CE2-CB 4.33Å; Y377-I422 HydrophobicContact CE2-CD1 4.13Å; Y377-I422 PolarHBondContact N-O 3.09Å; Y377-I422 PolarHBondContact O-N 3.1Å; Y377-I422 VanDerWaalsContact OH-CD1 3.26Å; Y377-I422 WeakPolarHBondContact OH-CD1 3.4Å; Y377-K424 HydrophobicContact CD1-CG 4.39Å; Y377-K424 HydrophobicContact CE1-CG 4Å; Y377-Y442 HydrophobicContact CD2-CD2 4.44Å; Y377-Y442 HydrophobicContact CD2-CE2 4.17Å; Y377-Y442 HydrophobicContact CE2-CE2 4.28Å
378	T	94.6	Very high	92.7	Very high	18 Å²	18	53.5 Å²	53.5	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	126.3	-180	-62.5	0	0	0	0	109.8	V359 D360 L380 E420	V359-T378 CarbonylContact C-O 3.58Å; V359-T378 WeakPolarHBondContact CA-O 3.42Å; D360-T378 PolarHBondContact N-O 2.72Å; D360-T378 PolarHBondContact O-N 2.61Å; T378-L380 HydrophobicContact CG2-CD2 4.02Å; T378-L380 PolarHBondContact O-N 3.43Å; T378-E420 WeakPolarHBondContact CA-O 3.41Å; T378-E420 WeakPolarHBondContact CG2-O 3.06Å; T378-E420 PolarHBondContact OG1-O 2.92Å
379	I	93.6	Very high	92.6	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	116.8	171.3	-61.5	-178.5	0	0	0	107.7	V359 E381 F383 P416 N419	V359-I379 HydrophobicContact CG2-CG1 4.43Å; I379-E381 WeakPolarHBondContact CG2-O 3.48Å; I379-F383 HydrophobicContact CG2-CD1 4.33Å; I379-F383 HydrophobicContact CG2-CE1 4.05Å; I379-P416 HydrophobicContact CD1-CB 3.99Å; I379-P416 HydrophobicContact CD1-CG 3.88Å; I379-N419 PolarHBondContact O-N 2.89Å
380	L	93.1	Very high	92.6	Very high	60 Å²	60	54.4 Å²	54.4	31%	0.314	27%	0.272	S	S	.	.			trans	-89.5	-32	-175.9	-57	-177	0	0	0	112.6	T356 Q357 L358 D360 T378	T356-L380 HydrophobicContact CG2-CD1 3.85Å; Q357-L380 WeakPolarHBondContact O-CD1 3.27Å; L358-L380 PolarHBondContact O-N 3.35Å; D360-L380 HydrophobicContact CB-CD1 4.07Å; D360-L380 HydrophobicContact CB-CD2 4.03Å; D360-L380 HydrophobicContact CB-CG 4.18Å; T378-L380 HydrophobicContact CG2-CD2 4.02Å; T378-L380 PolarHBondContact O-N 3.43Å
381	E	90.6	Very high	92.8	Very high	100 Å²	100	52 Å²	52	47%	0.467	26%	0.26	S	S	.	.	S	Bend	trans	-137.1	141.1	179.4	-176.5	179.9	-176	0	0	108.3	R127 L358 I379 F383	R127-E381 IonicContact NH1-OE2 2.63Å; L358-E381 HydrophobicContact CD2-CB 3.85Å; L358-E381 HydrophobicContact CD2-CG 4.22Å; I379-E381 WeakPolarHBondContact CG2-O 3.48Å; E381-F383 WeakPolarHBondContact O-CD1 3.36Å
382	D	86.7	Confident	92.9	Very high	128 Å²	128	47.8 Å²	47.8	68%	0.684	24%	0.24	S	C	*	.			trans	-68.5	137.3	-179.9	-168.8	25	0	0	0	111	V418	D382-V418 HydrophobicContact CB-CG2 4.05Å
383	F	89.5	Confident	92.9	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	22%	0.218	C	C	.	.			trans	-151.5	163	174.8	67.4	-82.5	0	0	0	108.8	L358 V359 I379 E381 S385 Y442 L447 V451	L358-F383 HydrophobicContact CB-CD1 3.95Å; L358-F383 HydrophobicContact CB-CE1 3.94Å; L358-F383 HydrophobicContact CD1-CB 4.04Å; L358-F383 HydrophobicContact CD1-CD1 3.89Å; L358-F383 HydrophobicContact CD1-CD2 4.28Å; L358-F383 HydrophobicContact CD1-CE1 4.41Å; L358-F383 HydrophobicContact CD1-CG 3.82Å; L358-F383 HydrophobicContact CD2-CD1 4.4Å; L358-F383 HydrophobicContact CG-CD1 4.3Å; V359-F383 HydrophobicContact CG2-CE1 3.77Å; V359-F383 HydrophobicContact CG2-CZ 3.89Å; I379-F383 HydrophobicContact CG2-CD1 4.33Å; I379-F383 HydrophobicContact CG2-CE1 4.05Å; E381-F383 WeakPolarHBondContact O-CD1 3.36Å; F383-S385 PolarHBondContact O-N 2.68Å; F383-S385 PolarHBondContact O-OG 2.8Å; F383-Y442 HydrophobicContact CE2-CE1 4.34Å; F383-Y442 AromaticContact CZ-CE1 3.85Å; F383-Y442 HydrophobicContact CZ-CE1 3.85Å; F383-L447 HydrophobicContact CB-CD1 4.44Å; F383-L447 HydrophobicContact CD2-CD1 3.63Å; F383-L447 HydrophobicContact CD2-CG 4.39Å; F383-L447 HydrophobicContact CE2-CD1 4.21Å; F383-L447 HydrophobicContact CG-CD1 4.26Å; F383-V451 HydrophobicContact CE2-CG2 4.41Å; F383-V451 HydrophobicContact CZ-CG2 4.15Å
384	M	85.3	Confident	92.9	Very high	148 Å²	148	43.6 Å²	43.6	73%	0.729	22%	0.217	S	C	*	.			trans	-67.5	76.1	176.6	-66.8	-145.1	-60	0	0	111.3	N446	M384-N446 VanDerWaalsContact O-CB 3.23Å; M384-N446 WeakPolarHBondContact O-CB 3.4Å; M384-N446 PolarHBondContact O-ND2 3.31Å
385	S	84.8	Confident	92.8	Very high	18 Å²	18	44.7 Å²	44.7	13%	0.126	22%	0.219	C	C	.	.			trans	-76.8	153.7	175.7	37.3	0	0	0	0	110.5	F383 D389 R411	F383-S385 PolarHBondContact O-N 2.68Å; F383-S385 PolarHBondContact O-OG 2.8Å; S385-D389 VanDerWaalsContact CA-OD2 3.25Å; S385-D389 WeakPolarHBondContact CA-OD2 3.37Å; S385-D389 VanDerWaalsContact CB-OD2 3.25Å; S385-D389 WeakPolarHBondContact CB-OD2 3.24Å; S385-R411 VanDerWaalsContact O-CZ 3.25Å; S385-R411 PolarHBondContact O-NH1 3.5Å; S385-R411 PolarHBondContact O-NH2 3.16Å; S385-R411 PolarHBondContact OG-NH2 3.47Å
386	S	87.6	Confident	92.7	Very high	16 Å²	16	47 Å²	47	11%	0.112	23%	0.233	C	C	.	.			trans	-117.9	155.9	-175.1	-171.9	0	0	0	0	112.3	W388 D389 R411	S386-W388 PolarHBondContact O-N 3.45Å; S386-W388 PolarHBondContact OG-N 3.4Å; S386-D389 VanDerWaalsContact CB-OD1 3.29Å; S386-D389 WeakPolarHBondContact CB-OD1 3.42Å; S386-D389 VanDerWaalsContact N-CG 3.27Å; S386-D389 PolarHBondContact N-OD1 3.05Å; S386-D389 PolarHBondContact N-OD2 3.43Å; S386-D389 WeakPolarHBondContact O-CB 3.5Å; S386-D389 PolarHBondContact O-N 3.49Å; S386-D389 VanDerWaalsContact O-N 3.13Å; S386-R411 VanDerWaalsContact CA-NH1 3.32Å; S386-R411 WeakPolarHBondContact O-CD 3.21Å; S386-R411 PolarHBondContact O-NE 2.9Å
387	T	86.6	Confident	92.4	Very high	77 Å²	77	46.8 Å²	46.8	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.2	167	51.1	0	0	0	0	112.8	R411	T387-R411 HydrophobicContact CG2-CB 4.12Å
388	W	90.6	Very high	92.3	Very high	167 Å²	167	47.1 Å²	47.1	63%	0.633	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	16	171.9	-59.1	91.3	0	0	0	112.4	S386 W390 W409 T445	S386-W388 PolarHBondContact O-N 3.45Å; S386-W388 PolarHBondContact OG-N 3.4Å; W388-W390 VanDerWaalsContact O-CE3 3.23Å; W388-W409 HydrophobicContact CB-CZ3 4.32Å; W388-W409 AromaticContact CE3-CH2 3.84Å; W388-W409 HydrophobicContact CE3-CH2 3.84Å; W388-W409 HydrophobicContact CE3-CZ2 4.42Å; W388-W409 HydrophobicContact CE3-CZ3 4.16Å; W388-W409 HydrophobicContact CZ3-CH2 4.38Å; W388-W409 WeakPolarHBondContact O-CZ3 3.45Å; W388-T445 HydrophobicContact CB-CG2 4.24Å; W388-T445 PolarHBondContact O-OG1 3.31Å
389	D	94.1	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.			trans	-79.2	144.7	170.7	-66.7	-8.1	0	0	0	109.7	S385 S386 V410 Y442 Y443 S444 T445	S385-D389 VanDerWaalsContact CA-OD2 3.25Å; S385-D389 WeakPolarHBondContact CA-OD2 3.37Å; S385-D389 VanDerWaalsContact CB-OD2 3.25Å; S385-D389 WeakPolarHBondContact CB-OD2 3.24Å; S386-D389 VanDerWaalsContact CB-OD1 3.29Å; S386-D389 WeakPolarHBondContact CB-OD1 3.42Å; S386-D389 VanDerWaalsContact N-CG 3.27Å; S386-D389 PolarHBondContact N-OD1 3.05Å; S386-D389 PolarHBondContact N-OD2 3.43Å; S386-D389 WeakPolarHBondContact O-CB 3.5Å; S386-D389 PolarHBondContact O-N 3.49Å; S386-D389 VanDerWaalsContact O-N 3.13Å; D389-V410 HydrophobicContact CB-CB 4.12Å; D389-V410 HydrophobicContact CB-CG2 3.99Å; D389-V410 WeakPolarHBondContact O-CB 3.44Å; D389-V410 WeakPolarHBondContact O-CG2 3.34Å; D389-V410 PolarHBondContact O-N 3.07Å; D389-Y442 HydrophobicContact CB-CE1 3.94Å; D389-Y442 PolarHBondContact OD2-OH 2.9Å; D389-Y443 WeakPolarHBondContact CA-O 3.42Å; D389-Y443 WeakPolarHBondContact CB-O 3.16Å; D389-S444 WeakPolarHBondContact OD1-CA 3.39Å; D389-T445 PolarHBondContact OD1-N 3.13Å
390	W	96.1	Very high	92.4	Very high	42 Å²	42	49 Å²	49	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.6	-178.8	68.9	91.6	0	0	0	112.4	W388 F407 V408 W409 Y443 T445	W388-W390 VanDerWaalsContact O-CE3 3.23Å; W390-F407 HydrophobicContact CB-CD2 3.93Å; W390-F407 HydrophobicContact CG-CD2 4.31Å; W390-V408 CarbonylContact C-O 3.29Å; W390-V408 VanDerWaalsContact CA-O 3.31Å; W390-V408 WeakPolarHBondContact CA-O 3.35Å; W390-V408 WeakPolarHBondContact CB-O 3.17Å; W390-W409 HydrophobicContact CB-CE3 4.08Å; W390-W409 HydrophobicContact CB-CZ3 4.29Å; W390-W409 HydrophobicContact CE3-CZ3 4.01Å; W390-Y443 HydrophobicContact CD2-CD1 4.2Å; W390-Y443 HydrophobicContact CD2-CG 4.32Å; W390-Y443 VanDerWaalsContact CE2-CB 3.48Å; W390-Y443 AromaticContact CE2-CD1 3.85Å; W390-Y443 AromaticContact CE2-CG 3.71Å; W390-Y443 AromaticContact CE3-CD1 3.96Å; W390-Y443 HydrophobicContact CE3-CD1 3.96Å; W390-Y443 AromaticContact CH2-CD1 3.02Å; W390-Y443 HydrophobicContact CH2-CD1 3.02Å; W390-Y443 HydrophobicContact CH2-CD2 4.4Å; W390-Y443 AromaticContact CH2-CE1 3.21Å; W390-Y443 HydrophobicContact CH2-CE1 3.21Å; W390-Y443 AromaticContact CH2-CG 3.67Å; W390-Y443 HydrophobicContact CH2-CG 3.67Å; W390-Y443 AromaticContact CZ2-CD1 3.27Å; W390-Y443 HydrophobicContact CZ2-CD1 3.27Å; W390-Y443 AromaticContact CZ2-CD2 3.93Å; W390-Y443 HydrophobicContact CZ2-CD2 3.93Å; W390-Y443 AromaticContact CZ2-CE1 3.76Å; W390-Y443 HydrophobicContact CZ2-CE1 3.76Å; W390-Y443 HydrophobicContact CZ2-CE2 4.36Å; W390-Y443 AromaticContact CZ2-CG 3.35Å; W390-Y443 HydrophobicContact CZ2-CG 3.35Å; W390-Y443 AromaticContact CZ3-CD1 3.39Å; W390-Y443 HydrophobicContact CZ3-CD1 3.39Å; W390-Y443 AromaticContact CZ3-CE1 3.81Å; W390-Y443 HydrophobicContact CZ3-CE1 3.81Å; W390-Y443 HydrophobicContact CZ3-CG 4.25Å; W390-Y443 PolarHBondContact N-O 2.87Å; W390-Y443 PolarHBondContact O-N 3.37Å; W390-T445 WeakPolarHBondContact CZ3-OG1 3.33Å
391	I	97.8	Very high	92.4	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.4	168.4	-63.3	167.2	0	0	0	107	L361 L375 Y377 F407 V408 V410 L440 G441 Y442	L361-I391 HydrophobicContact CD1-CG2 3.8Å; L375-I391 HydrophobicContact CD1-CD1 3.69Å; L375-I391 HydrophobicContact CD2-CG2 3.97Å; Y377-I391 HydrophobicContact CD1-CD1 3.51Å; Y377-I391 HydrophobicContact CE1-CD1 4.18Å; Y377-I391 HydrophobicContact CG-CD1 3.78Å; I391-F407 CarbonylContact O-C 3.59Å; I391-F407 VanDerWaalsContact O-CA 3.22Å; I391-F407 WeakPolarHBondContact O-CA 3.46Å; I391-V408 HydrophobicContact CB-CG2 4.06Å; I391-V408 PolarHBondContact N-O 2.86Å; I391-V408 PolarHBondContact O-N 3.07Å; I391-V410 HydrophobicContact CD1-CG2 4.26Å; I391-V410 HydrophobicContact CG1-CG2 3.88Å; I391-L440 HydrophobicContact CG2-CB 4.25Å; I391-L440 HydrophobicContact CG2-CD2 4.3Å; I391-G441 WeakPolarHBondContact CA-O 3.36Å; I391-Y442 HydrophobicContact CD1-CD2 4.14Å; I391-Y442 HydrophobicContact CG1-CD2 3.77Å; I391-Y442 HydrophobicContact CG1-CG 4.36Å
392	G	97.9	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.2	175.3	0	0	0	0	0	111.4	Y394 L440 G441	G392-Y394 VanDerWaalsContact C-CE2 3.47Å; G392-Y394 VanDerWaalsContact O-CD2 3.27Å; G392-Y394 WeakPolarHBondContact O-CD2 3.36Å; G392-Y394 VanDerWaalsContact O-CE2 3.23Å; G392-Y394 WeakPolarHBondContact O-CE2 3.37Å; G392-L440 WeakPolarHBondContact O-CA 3.48Å; G392-G441 PolarHBondContact N-O 3.22Å; G392-G441 PolarHBondContact O-N 3.44Å
393	L	98.3	Very high	92.7	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.8	163.4	177.1	68.2	0	0	0	108.5	W367 Y404 E405 T406 L431 P432 Y438 L440 F457 I459	W367-L393 HydrophobicContact CE3-CD1 4.45Å; W367-L393 HydrophobicContact CZ3-CD1 3.92Å; W367-L393 HydrophobicContact CZ3-CD2 4.22Å; L393-Y404 CarbonylContact O-C 3.56Å; L393-Y404 WeakPolarHBondContact O-CA 3.49Å; L393-Y404 WeakPolarHBondContact O-CB 3.43Å; L393-E405 PolarHBondContact O-N 2.94Å; L393-T406 HydrophobicContact CB-CG2 3.91Å; L393-T406 HydrophobicContact CD2-CG2 3.93Å; L393-T406 PolarHBondContact N-O 3.28Å; L393-L431 HydrophobicContact CD2-CD2 4.13Å; L393-P432 HydrophobicContact CD2-CG 4.27Å; L393-Y438 HydrophobicContact CD1-CD1 4.11Å; L393-Y438 HydrophobicContact CD1-CG 4.16Å; L393-Y438 HydrophobicContact CD2-CD1 4.4Å; L393-Y438 HydrophobicContact CG-CD1 4.05Å; L393-L440 HydrophobicContact CB-CD2 4.38Å; L393-L440 HydrophobicContact CD1-CD2 3.9Å; L393-F457 HydrophobicContact CD1-CE1 4.27Å; L393-F457 HydrophobicContact CD1-CE2 4.44Å; L393-F457 HydrophobicContact CD1-CZ 3.57Å; L393-I459 HydrophobicContact CD1-CD1 4.05Å; L393-I459 HydrophobicContact CD2-CD1 3.64Å; L393-I459 HydrophobicContact CG-CD1 4.4Å
394	Y	97.3	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.3	-177.7	-56.5	-92	0	0	0	110.2	G392 F398 A401 N403 Y404 Y438 V439	G392-Y394 VanDerWaalsContact C-CE2 3.47Å; G392-Y394 VanDerWaalsContact O-CD2 3.27Å; G392-Y394 WeakPolarHBondContact O-CD2 3.36Å; G392-Y394 VanDerWaalsContact O-CE2 3.23Å; G392-Y394 WeakPolarHBondContact O-CE2 3.37Å; Y394-F398 HydrophobicContact CD1-CB 4.18Å; Y394-F398 HydrophobicContact CD1-CD1 4.41Å; Y394-F398 AromaticContact CD1-CD2 3.71Å; Y394-F398 HydrophobicContact CD1-CD2 3.71Å; Y394-F398 HydrophobicContact CD1-CE2 4.12Å; Y394-F398 AromaticContact CD1-CG 3.86Å; Y394-F398 HydrophobicContact CD1-CG 3.86Å; Y394-F398 HydrophobicContact CE1-CD2 4.29Å; Y394-F398 HydrophobicContact CE1-CE2 4.44Å; Y394-F398 HydrophobicContact CG-CD1 4.2Å; Y394-F398 HydrophobicContact CG-CD2 4.25Å; Y394-F398 HydrophobicContact CG-CE1 4.43Å; Y394-F398 HydrophobicContact CG-CE2 4.46Å; Y394-F398 HydrophobicContact CG-CG 4.1Å; Y394-A401 WeakPolarHBondContact CE1-O 3.41Å; Y394-A401 PolarHBondContact OH-O 3.08Å; Y394-N403 WeakPolarHBondContact CD1-O 3.3Å; Y394-Y404 HydrophobicContact CE1-CD1 4.37Å; Y394-Y438 CarbonylContact O-C 3.56Å; Y394-Y438 WeakPolarHBondContact O-CA 3.45Å; Y394-Y438 WeakPolarHBondContact O-CB 3.43Å; Y394-Y438 WeakPolarHBondContact O-CD1 3.41Å; Y394-V439 PolarHBondContact N-O 2.91Å; Y394-V439 PolarHBondContact O-N 3.33Å
395	K	95.6	Very high	93.4	Very high	85 Å²	85	44 Å²	44	37%	0.37	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.9	166.1	-167.6	171.2	-176.2	171.8	0	109.3	G397 F398 Y438	K395-G397 PolarHBondContact O-N 3.06Å; K395-F398 WeakPolarHBondContact O-CB 3.32Å; K395-F398 PolarHBondContact O-N 3.09Å; K395-Y438 HydrophobicContact CB-CD1 4.11Å; K395-Y438 HydrophobicContact CB-CE1 3.81Å; K395-Y438 HydrophobicContact CG-CE1 4.08Å
396	V	93.9	Very high	94	Very high	50 Å²	50	43.9 Å²	43.9	30%	0.303	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.6	176.3	171.2	0	0	0	0	109.8	E437 N456	V396-E437 HydrophobicContact CB-CB 4.27Å; V396-E437 HydrophobicContact CB-CG 4.33Å; V396-E437 HydrophobicContact CG2-CB 4.04Å; V396-E437 HydrophobicContact CG2-CG 3.67Å; V396-E437 PolarHBondContact N-O 3.21Å; V396-N456 HydrophobicContact CG2-CB 4.41Å
397	G	90.6	Very high	94.4	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	14.7	-171.2	0	0	0	0	0	114.9	K395	K395-G397 PolarHBondContact O-N 3.06Å
398	F	94.7	Very high	94.8	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.053	22%	0.22	C	C	.	.			trans	-53.9	148.3	170.9	72.2	-82.4	0	0	0	111.9	V102 M120 L123 Y394 K395 S400 N403 V439 I450	V102-F398 HydrophobicContact CB-CE2 4.3Å; V102-F398 HydrophobicContact CG1-CD2 3.93Å; V102-F398 HydrophobicContact CG1-CE2 3.5Å; V102-F398 HydrophobicContact CG1-CZ 4.28Å; V102-F398 HydrophobicContact CG2-CD2 4.21Å; V102-F398 HydrophobicContact CG2-CE1 4.27Å; V102-F398 HydrophobicContact CG2-CE2 3.79Å; V102-F398 HydrophobicContact CG2-CZ 3.82Å; M120-F398 HydrophobicContact CG-CE1 4.15Å; M120-F398 HydrophobicContact CG-CZ 4.37Å; M120-F398 HydrophobicContact SD-CE1 3.73Å; L123-F398 HydrophobicContact CD1-CE2 4.39Å; L123-F398 HydrophobicContact CD1-CZ 3.96Å; Y394-F398 HydrophobicContact CD1-CB 4.18Å; Y394-F398 HydrophobicContact CD1-CD1 4.41Å; Y394-F398 AromaticContact CD1-CD2 3.71Å; Y394-F398 HydrophobicContact CD1-CD2 3.71Å; Y394-F398 HydrophobicContact CD1-CE2 4.12Å; Y394-F398 AromaticContact CD1-CG 3.86Å; Y394-F398 HydrophobicContact CD1-CG 3.86Å; Y394-F398 HydrophobicContact CE1-CD2 4.29Å; Y394-F398 HydrophobicContact CE1-CE2 4.44Å; Y394-F398 HydrophobicContact CG-CD1 4.2Å; Y394-F398 HydrophobicContact CG-CD2 4.25Å; Y394-F398 HydrophobicContact CG-CE1 4.43Å; Y394-F398 HydrophobicContact CG-CE2 4.46Å; Y394-F398 HydrophobicContact CG-CG 4.1Å; K395-F398 WeakPolarHBondContact O-CB 3.32Å; K395-F398 PolarHBondContact O-N 3.09Å; F398-S400 WeakPolarHBondContact CD2-O 3.27Å; F398-N403 HydrophobicContact CB-CB 4.28Å; F398-V439 HydrophobicContact CD1-CG1 4.2Å; F398-V439 HydrophobicContact CE1-CG1 3.9Å; F398-I450 HydrophobicContact CE2-CD1 3.99Å; F398-I450 HydrophobicContact CZ-CD1 4.16Å
399	K	94.3	Very high	95	Very high	58 Å²	58	40.8 Å²	40.8	25%	0.252	21%	0.209	S	C	.	.			trans	-105	-14.8	-168.1	-54.3	168.5	-178.8	170.9	0	113.8	M93 D94 K103 N403	M93-K399 HydrophobicContact CB-CB 4.18Å; M93-K399 HydrophobicContact CB-CD 4.23Å; M93-K399 HydrophobicContact CE-CB 3.51Å; D94-K399 IonicContact OD1-NZ 3.82Å; D94-K399 PolarHBondContact OD1-NZ 3.47Å; K103-K399 VanDerWaalsContact CB-O 3.31Å; K103-K399 WeakPolarHBondContact CB-O 3.48Å; K103-K399 PolarHBondContact N-O 3.15Å; K399-N403 WeakPolarHBondContact CB-OD1 3.43Å; K399-N403 PolarHBondContact N-OD1 3.34Å
400	S	94.8	Very high	94.7	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-158.1	164.1	175.8	65.2	0	0	0	0	111.2	F398 S402 N403	F398-S400 WeakPolarHBondContact CD2-O 3.27Å; S400-S402 PolarHBondContact O-N 2.95Å; S400-S402 VanDerWaalsContact O-N 3.07Å; S400-S402 PolarHBondContact OG-N 3.42Å; S400-S402 PolarHBondContact OG-OG 3Å; S400-N403 PolarHBondContact N-OD1 2.94Å; S400-N403 WeakPolarHBondContact O-CB 3.13Å; S400-N403 PolarHBondContact O-N 3.24Å; S400-N403 VanDerWaalsContact OG-CG 3.28Å; S400-N403 PolarHBondContact OG-ND2 2.8Å
401	A	93.6	Very high	93.7	Very high	20 Å²	20	40.2 Å²	40.2	17%	0.165	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.5	174.4	0	0	0	0	0	114.3	Y394 Y443 I450	Y394-A401 WeakPolarHBondContact CE1-O 3.41Å; Y394-A401 PolarHBondContact OH-O 3.08Å; A401-Y443 HydrophobicContact CB-CD2 3.69Å; A401-Y443 HydrophobicContact CB-CE2 3.56Å; A401-I450 HydrophobicContact CB-CD1 4.17Å; A401-I450 HydrophobicContact CB-CG1 4.29Å
402	S	91.5	Very high	92	Very high	77 Å²	77	47.6 Å²	47.6	54%	0.538	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.7	174.4	54.8	0	0	0	0	113.9	S400 Y404	S400-S402 PolarHBondContact O-N 2.95Å; S400-S402 VanDerWaalsContact O-N 3.07Å; S400-S402 PolarHBondContact OG-N 3.42Å; S400-S402 PolarHBondContact OG-OG 3Å; S402-Y404 VanDerWaalsContact C-N 3.29Å; S402-Y404 PolarHBondContact O-N 2.63Å
403	N	91.9	Very high	90.2	Very high	65 Å²	65	54.9 Å²	54.9	35%	0.348	28%	0.28	S	S	.	.			trans	-92.7	44	178.9	-69.3	176.6	0	0	0	112.4	Y394 F398 K399 S400	Y394-N403 WeakPolarHBondContact CD1-O 3.3Å; F398-N403 HydrophobicContact CB-CB 4.28Å; K399-N403 WeakPolarHBondContact CB-OD1 3.43Å; K399-N403 PolarHBondContact N-OD1 3.34Å; S400-N403 PolarHBondContact N-OD1 2.94Å; S400-N403 WeakPolarHBondContact O-CB 3.13Å; S400-N403 PolarHBondContact O-N 3.24Å; S400-N403 VanDerWaalsContact OG-CG 3.28Å; S400-N403 PolarHBondContact OG-ND2 2.8Å
404	Y	94.6	Very high	88.5	Confident	85 Å²	85	63 Å²	63	33%	0.333	32%	0.318	S	S	.	.			trans	-81.5	150.6	169.6	54.7	-104.4	0	0	0	110.6	L393 Y394 S402 F407	L393-Y404 CarbonylContact O-C 3.56Å; L393-Y404 WeakPolarHBondContact O-CA 3.49Å; L393-Y404 WeakPolarHBondContact O-CB 3.43Å; Y394-Y404 HydrophobicContact CE1-CD1 4.37Å; S402-Y404 VanDerWaalsContact C-N 3.29Å; S402-Y404 PolarHBondContact O-N 2.63Å; Y404-F407 HydrophobicContact CD2-CB 4.27Å; Y404-F407 AromaticContact CD2-CD1 3.95Å; Y404-F407 HydrophobicContact CD2-CD1 3.95Å; Y404-F407 HydrophobicContact CE1-CD1 4.49Å; Y404-F407 HydrophobicContact CE2-CB 4.37Å; Y404-F407 AromaticContact CE2-CD1 3.3Å; Y404-F407 HydrophobicContact CE2-CD1 3.3Å; Y404-F407 AromaticContact CE2-CE1 3.92Å; Y404-F407 HydrophobicContact CE2-CE1 3.92Å; Y404-F407 HydrophobicContact CE2-CG 4.16Å; Y404-F407 HydrophobicContact CG-CB 4.48Å; Y404-F407 AromaticContact CZ-CD1 3.61Å
405	E	95.3	Very high	87	Confident	105 Å²	105	68.5 Å²	68.5	49%	0.491	35%	0.347	S	S	.	.	S	Bend	trans	-76.5	-42.1	169.9	-62.8	-67.9	168.1	0	0	110.8	L393 P432 Y438	L393-E405 PolarHBondContact O-N 2.94Å; E405-P432 HydrophobicContact CB-CG 4.34Å; E405-P432 HydrophobicContact CG-CG 4.28Å; E405-Y438 HydrophobicContact CG-CE1 3.85Å
406	T	96.6	Very high	85.6	Confident	16 Å²	16	65.3 Å²	65.3	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.8	175	-173.3	0	0	0	0	109.5	L393 V426 D430	L393-T406 HydrophobicContact CB-CG2 3.91Å; L393-T406 HydrophobicContact CD2-CG2 3.93Å; L393-T406 PolarHBondContact N-O 3.28Å; T406-V426 HydrophobicContact CG2-CG1 4.01Å; T406-D430 HydrophobicContact CG2-CB 4.4Å; T406-D430 WeakPolarHBondContact OG1-CB 3.35Å
407	F	96.6	Very high	84.8	Confident	69 Å²	69	70.3 Å²	70.3	30%	0.303	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	159.7	178.1	72	-79.5	0	0	0	111.5	W390 I391 Y404 W409	W390-F407 HydrophobicContact CB-CD2 3.93Å; W390-F407 HydrophobicContact CG-CD2 4.31Å; I391-F407 CarbonylContact O-C 3.59Å; I391-F407 VanDerWaalsContact O-CA 3.22Å; I391-F407 WeakPolarHBondContact O-CA 3.46Å; Y404-F407 HydrophobicContact CD2-CB 4.27Å; Y404-F407 AromaticContact CD2-CD1 3.95Å; Y404-F407 HydrophobicContact CD2-CD1 3.95Å; Y404-F407 HydrophobicContact CE1-CD1 4.49Å; Y404-F407 HydrophobicContact CE2-CB 4.37Å; Y404-F407 AromaticContact CE2-CD1 3.3Å; Y404-F407 HydrophobicContact CE2-CD1 3.3Å; Y404-F407 AromaticContact CE2-CE1 3.92Å; Y404-F407 HydrophobicContact CE2-CE1 3.92Å; Y404-F407 HydrophobicContact CE2-CG 4.16Å; Y404-F407 HydrophobicContact CG-CB 4.48Å; Y404-F407 AromaticContact CZ-CD1 3.61Å; F407-W409 HydrophobicContact CE2-CD2 4.1Å; F407-W409 AromaticContact CE2-CE2 3.58Å; F407-W409 HydrophobicContact CE2-CH2 4.32Å; F407-W409 AromaticContact CE2-CZ2 3.72Å; F407-W409 HydrophobicContact CE2-CZ2 3.72Å; F407-W409 AromaticContact CE2-NE1 3.7Å; F407-W409 HydrophobicContact CZ-CZ2 4.25Å
408	V	95.5	Very high	84.5	Confident	23 Å²	23	71.5 Å²	71.5	14%	0.139	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.6	169.4	-65.1	0	0	0	0	110.1	L375 W390 I391 K424 V426	L375-V408 HydrophobicContact CD2-CG2 4.06Å; W390-V408 CarbonylContact C-O 3.29Å; W390-V408 VanDerWaalsContact CA-O 3.31Å; W390-V408 WeakPolarHBondContact CA-O 3.35Å; W390-V408 WeakPolarHBondContact CB-O 3.17Å; I391-V408 HydrophobicContact CB-CG2 4.06Å; I391-V408 PolarHBondContact N-O 2.86Å; I391-V408 PolarHBondContact O-N 3.07Å; V408-K424 HydrophobicContact CG2-CB 4.36Å; V408-V426 HydrophobicContact CG1-CB 4.5Å; V408-V426 HydrophobicContact CG1-CG2 3.91Å
409	W	93.4	Very high	84.2	Confident	103 Å²	103	76.2 Å²	76.2	39%	0.39	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.8	173.3	-65.2	108.7	0	0	0	110.5	W388 W390 F407 K424	W388-W409 HydrophobicContact CB-CZ3 4.32Å; W388-W409 AromaticContact CE3-CH2 3.84Å; W388-W409 HydrophobicContact CE3-CH2 3.84Å; W388-W409 HydrophobicContact CE3-CZ2 4.42Å; W388-W409 HydrophobicContact CE3-CZ3 4.16Å; W388-W409 HydrophobicContact CZ3-CH2 4.38Å; W388-W409 WeakPolarHBondContact O-CZ3 3.45Å; W390-W409 HydrophobicContact CB-CE3 4.08Å; W390-W409 HydrophobicContact CB-CZ3 4.29Å; W390-W409 HydrophobicContact CE3-CZ3 4.01Å; F407-W409 HydrophobicContact CE2-CD2 4.1Å; F407-W409 AromaticContact CE2-CE2 3.58Å; F407-W409 HydrophobicContact CE2-CH2 4.32Å; F407-W409 AromaticContact CE2-CZ2 3.72Å; F407-W409 HydrophobicContact CE2-CZ2 3.72Å; F407-W409 AromaticContact CE2-NE1 3.7Å; F407-W409 HydrophobicContact CZ-CZ2 4.25Å; W409-K424 PolarHBondContact O-NZ 2.9Å
410	V	87.9	Confident	83.9	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.012	39%	0.389	C	S	.	.	S	Bend	trans	-65.9	-41.8	179.2	173.4	0	0	0	0	110.2	Y377 D389 I391 K424 Y442	Y377-V410 HydrophobicContact CE1-CG1 4.33Å; Y377-V410 HydrophobicContact CE2-CG1 3.84Å; Y377-V410 VanDerWaalsContact OH-CG1 3.3Å; Y377-V410 WeakPolarHBondContact OH-CG1 3.41Å; Y377-V410 PolarHBondContact OH-O 2.78Å; D389-V410 HydrophobicContact CB-CB 4.12Å; D389-V410 HydrophobicContact CB-CG2 3.99Å; D389-V410 WeakPolarHBondContact O-CB 3.44Å; D389-V410 WeakPolarHBondContact O-CG2 3.34Å; D389-V410 PolarHBondContact O-N 3.07Å; I391-V410 HydrophobicContact CD1-CG2 4.26Å; I391-V410 HydrophobicContact CG1-CG2 3.88Å; V410-K424 WeakPolarHBondContact O-CE 3.43Å; V410-K424 PolarHBondContact O-NZ 3.41Å; V410-Y442 HydrophobicContact CB-CE2 4.12Å; V410-Y442 HydrophobicContact CG1-CE2 3.63Å; V410-Y442 HydrophobicContact CG2-CD2 3.8Å; V410-Y442 HydrophobicContact CG2-CE2 3.31Å
411	R	76	Confident	83.8	Confident	27 Å²	27	82.3 Å²	82.3	10%	0.102	42%	0.416	C	S	.	.			trans	-116.4	147.7	-171.7	-55.2	-165.8	-176	158.6	-11.3	113.3	S385 S386 T387 L415	S385-R411 VanDerWaalsContact O-CZ 3.25Å; S385-R411 PolarHBondContact O-NH1 3.5Å; S385-R411 PolarHBondContact O-NH2 3.16Å; S385-R411 PolarHBondContact OG-NH2 3.47Å; S386-R411 VanDerWaalsContact CA-NH1 3.32Å; S386-R411 WeakPolarHBondContact O-CD 3.21Å; S386-R411 PolarHBondContact O-NE 2.9Å; T387-R411 HydrophobicContact CG2-CB 4.12Å; R411-L415 VanDerWaalsContact NE-CD2 3.31Å
412	E	61.3	Low	83.7	Confident	158 Å²	158	82.8 Å²	82.8	74%	0.738	42%	0.415	S	S	*	.	S	Bend	trans	-122.5	-37.8	163.8	-69.6	-173.1	179.6	0	0	113
413	N	59.5	Low	83.8	Confident	153 Å²	153	85 Å²	85	82%	0.818	42%	0.417	S	S	*	.	S	Bend	trans	-145.8	-36	-175.1	-65.4	-55.3	0	0	0	117.7
414	E	64.1	Low	84	Confident	175 Å²	175	83.6 Å²	83.6	82%	0.818	41%	0.408	S	S	*	.	S	Bend	trans	-133.2	160.5	-177.2	-70	-177.8	175.6	0	0	112.1
415	L	65.3	Low	84	Confident	115 Å²	115	82.6 Å²	82.6	60%	0.602	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-84.7	132	-178	-59.6	-167.7	0	0	0	111.1	R411	R411-L415 VanDerWaalsContact NE-CD2 3.31Å
416	P	65.9	Low	84.1	Confident	18 Å²	18	77.9 Å²	77.9	12%	0.117	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-57.9	138.8	171.8	-20.1	31.9	0	0	0	110.8	Y377 I379 E420 I422	Y377-P416 HydrophobicContact CE2-CG 4.32Å; I379-P416 HydrophobicContact CD1-CB 3.99Å; I379-P416 HydrophobicContact CD1-CG 3.88Å; P416-E420 WeakPolarHBondContact CA-OE2 3.49Å; P416-I422 HydrophobicContact CB-CD1 3.35Å; P416-I422 HydrophobicContact CG-CD1 3.29Å
417	E	77.3	Confident	84.1	Confident	154 Å²	154	79 Å²	79	72%	0.72	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.4	164	-68.1	-172.3	175.6	0	0	109.7	N419 E420	E417-N419 PolarHBondContact O-N 3.44Å; E417-E420 HydrophobicContact CB-CB 4.33Å; E417-E420 PolarHBondContact N-OE2 2.75Å; E417-E420 WeakPolarHBondContact O-CB 3.05Å; E417-E420 PolarHBondContact O-N 2.85Å
418	V	83.7	Confident	84	Confident	61 Å²	61	79.6 Å²	79.6	37%	0.37	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134	173.7	-177.8	0	0	0	0	108.7	D382 E420	D382-V418 HydrophobicContact CB-CG2 4.05Å; V418-E420 VanDerWaalsContact C-N 3.27Å; V418-E420 PolarHBondContact O-N 3.39Å
419	N	88.5	Confident	84	Confident	111 Å²	111	85.2 Å²	85.2	59%	0.594	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	8	-172.1	-51.7	-63.1	0	0	0	116.2	I379 E417	I379-N419 PolarHBondContact O-N 2.89Å; E417-N419 PolarHBondContact O-N 3.44Å
420	E	89.3	Confident	84.1	Confident	92 Å²	92	84.8 Å²	84.8	43%	0.43	44%	0.439	S	S	.	.			trans	-72.6	133.7	168.3	-170.2	-178.5	178.3	0	0	110.7	T378 P416 E417 V418 I422	T378-E420 WeakPolarHBondContact CA-O 3.41Å; T378-E420 WeakPolarHBondContact CG2-O 3.06Å; T378-E420 PolarHBondContact OG1-O 2.92Å; P416-E420 WeakPolarHBondContact CA-OE2 3.49Å; E417-E420 HydrophobicContact CB-CB 4.33Å; E417-E420 PolarHBondContact N-OE2 2.75Å; E417-E420 WeakPolarHBondContact O-CB 3.05Å; E417-E420 PolarHBondContact O-N 2.85Å; V418-E420 VanDerWaalsContact C-N 3.27Å; V418-E420 PolarHBondContact O-N 3.39Å; E420-I422 HydrophobicContact CG-CG1 4.23Å
421	V	91.8	Very high	84.4	Confident	99 Å²	99	85.1 Å²	85.1	60%	0.6	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.1	174.2	-176.6	0	0	0	0	108.8	T376	T376-V421 HydrophobicContact CG2-CG1 4.21Å
422	I	92.1	Very high	85.3	Confident	30 Å²	30	84.7 Å²	84.7	15%	0.154	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	179.9	-64.1	177.5	0	0	0	110	T376 Y377 P416 E420	T376-I422 CarbonylContact C-O 3.57Å; T376-I422 WeakPolarHBondContact CA-O 3.36Å; Y377-I422 HydrophobicContact CD1-CB 4.13Å; Y377-I422 HydrophobicContact CD1-CG2 4.24Å; Y377-I422 HydrophobicContact CE1-CB 3.62Å; Y377-I422 HydrophobicContact CE1-CD1 4.48Å; Y377-I422 HydrophobicContact CE1-CG2 3.42Å; Y377-I422 VanDerWaalsContact CE1-CG2 3.42Å; Y377-I422 HydrophobicContact CE2-CB 4.33Å; Y377-I422 HydrophobicContact CE2-CD1 4.13Å; Y377-I422 PolarHBondContact N-O 3.09Å; Y377-I422 PolarHBondContact O-N 3.1Å; Y377-I422 VanDerWaalsContact OH-CD1 3.26Å; Y377-I422 WeakPolarHBondContact OH-CD1 3.4Å; P416-I422 HydrophobicContact CB-CD1 3.35Å; P416-I422 HydrophobicContact CG-CD1 3.29Å; E420-I422 HydrophobicContact CG-CG1 4.23Å
423	E	94.2	Very high	86.9	Confident	123 Å²	123	79.9 Å²	79.9	58%	0.575	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.8	174	-169.3	177	85.7	0	0	111.1	L374 L375	L374-E423 HydrophobicContact CB-CG 4.49Å; L374-E423 HydrophobicContact CD2-CG 4.3Å; L375-E423 CarbonylContact O-C 3.54Å; L375-E423 WeakPolarHBondContact O-CA 3.08Å
424	K	94.4	Very high	88.4	Confident	37 Å²	37	75 Å²	75	16%	0.161	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	173.5	-68.1	-70.8	-176.9	160.5	0	110.2	L374 L375 Y377 V408 W409 V410	L374-K424 WeakPolarHBondContact CA-O 3.39Å; L375-K424 HydrophobicContact CD1-CB 3.82Å; L375-K424 HydrophobicContact CD1-CG 4.3Å; L375-K424 HydrophobicContact CG-CB 3.98Å; L375-K424 PolarHBondContact N-O 3.39Å; L375-K424 PolarHBondContact O-N 3.13Å; Y377-K424 HydrophobicContact CD1-CG 4.39Å; Y377-K424 HydrophobicContact CE1-CG 4Å; V408-K424 HydrophobicContact CG2-CB 4.36Å; W409-K424 PolarHBondContact O-NZ 2.9Å; V410-K424 WeakPolarHBondContact O-CE 3.43Å; V410-K424 PolarHBondContact O-NZ 3.41Å
425	S	95.5	Very high	89.9	Confident	63 Å²	63	70.3 Å²	70.3	44%	0.441	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137	173.8	-174.6	0	0	0	0	110.8	A373	A373-S425 CarbonylContact O-C 3.59Å; A373-S425 WeakPolarHBondContact O-CA 3.3Å
426	V	96.8	Very high	91.3	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.9	170.4	-173.1	0	0	0	0	107.2	W367 D372 A373 L375 T406 V408 K428 L431	W367-V426 HydrophobicContact CH2-CG2 3.85Å; W367-V426 HydrophobicContact CZ3-CG2 4.35Å; D372-V426 WeakPolarHBondContact CA-O 3.46Å; A373-V426 HydrophobicContact CB-CB 4.48Å; A373-V426 PolarHBondContact N-O 3.49Å; A373-V426 PolarHBondContact O-N 3.31Å; L375-V426 HydrophobicContact CD2-CG2 3.94Å; T406-V426 HydrophobicContact CG2-CG1 4.01Å; V408-V426 HydrophobicContact CG1-CB 4.5Å; V408-V426 HydrophobicContact CG1-CG2 3.91Å; V426-K428 PolarHBondContact O-N 2.67Å; V426-L431 HydrophobicContact CB-CD2 4.4Å; V426-L431 HydrophobicContact CG1-CD2 3.74Å; V426-L431 HydrophobicContact CG1-CG 4.31Å
427	A	96.5	Very high	92.8	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	37%	0.371	S	S	.	.			trans	-64.3	136.5	-177.8	0	0	0	0	0	110.7	D429 D430	A427-D429 PolarHBondContact O-N 2.87Å; A427-D429 VanDerWaalsContact O-N 3.1Å; A427-D430 PolarHBondContact O-N 3.15Å
428	K	95.4	Very high	93.8	Very high	83 Å²	83	61.5 Å²	61.5	36%	0.361	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-56.6	-29.9	-179.4	73.1	-174.7	-178.7	173.2	0	114.1	H371 D372 V426 D430 L431	H371-K428 VanDerWaalsContact C-CB 3.42Å; H371-K428 WeakPolarHBondContact O-CB 3.44Å; D372-K428 PolarHBondContact OD1-N 2.69Å; V426-K428 PolarHBondContact O-N 2.67Å; K428-D430 PolarHBondContact O-N 3.33Å; K428-L431 PolarHBondContact O-N 2.93Å
429	D	94.9	Very high	94.4	Very high	140 Å²	140	58.6 Å²	58.6	75%	0.749	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-73.2	-17.7	-176.7	-66.4	-24.4	0	0	0	111.7	A427	A427-D429 PolarHBondContact O-N 2.87Å; A427-D429 VanDerWaalsContact O-N 3.1Å
430	D	94.8	Very high	94.9	Very high	94 Å²	94	53.4 Å²	53.4	50%	0.503	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-95.7	-5.7	175.6	-59.2	-39.3	0	0	0	112.6	T406 A427 K428	T406-D430 HydrophobicContact CG2-CB 4.4Å; T406-D430 WeakPolarHBondContact OG1-CB 3.35Å; A427-D430 PolarHBondContact O-N 3.15Å; K428-D430 PolarHBondContact O-N 3.33Å
431	L	95.9	Very high	95.3	Very high	9 Å²	9	49 Å²	49	5%	0.047	27%	0.272	C	S	.	.	S	Bend	trans	-82.8	147.3	-179.2	-68.5	176.8	0	0	0	111.9	W367 S368 A369 A373 L393 V426 K428 L433	W367-L431 HydrophobicContact CE3-CD2 3.86Å; W367-L431 HydrophobicContact CZ3-CD2 3.97Å; S368-L431 WeakPolarHBondContact O-CD1 3.32Å; A369-L431 HydrophobicContact CB-CB 3.94Å; A373-L431 HydrophobicContact CB-CD1 3.72Å; L393-L431 HydrophobicContact CD2-CD2 4.13Å; V426-L431 HydrophobicContact CB-CD2 4.4Å; V426-L431 HydrophobicContact CG1-CD2 3.74Å; V426-L431 HydrophobicContact CG1-CG 4.31Å; K428-L431 PolarHBondContact O-N 2.93Å; L431-L433 PolarHBondContact O-N 3.28Å
432	P	94.7	Very high	95.6	Very high	18 Å²	18	44.3 Å²	44.3	12%	0.117	24%	0.244	C	C	.	.			trans	-57.4	133.2	171.7	-24.1	34.1	0	0	0	112.3	L393 E405 Y438 I459	L393-P432 HydrophobicContact CD2-CG 4.27Å; E405-P432 HydrophobicContact CB-CG 4.34Å; E405-P432 HydrophobicContact CG-CG 4.28Å; P432-Y438 VanDerWaalsContact CB-OH 3.31Å; P432-Y438 WeakPolarHBondContact CB-OH 3.35Å; P432-Y438 HydrophobicContact CG-CE1 3.85Å; P432-Y438 HydrophobicContact CG-CE2 4.45Å; P432-Y438 WeakPolarHBondContact CG-OH 3Å; P432-I459 HydrophobicContact CG-CD1 4.38Å
433	L	93.3	Very high	95.9	Very high	58 Å²	58	44.6 Å²	44.6	30%	0.304	24%	0.243	S	C	.	.	S	Bend	trans	-75.3	-30.4	178.9	-66.9	178.6	0	0	0	113.3	A369 L431 S462 A465 L470	A369-L433 HydrophobicContact CB-CD2 3.78Å; L431-L433 PolarHBondContact O-N 3.28Å; L433-S462 PolarHBondContact O-N 2.87Å; L433-S462 PolarHBondContact O-OG 3.05Å; L433-S462 VanDerWaalsContact O-OG 3.05Å; L433-A465 HydrophobicContact CB-CB 4.28Å; L433-A465 WeakPolarHBondContact O-CB 3.47Å; L433-L470 HydrophobicContact CD1-CD1 3.92Å
434	L	92.9	Very high	96	Very high	51 Å²	51	38.7 Å²	38.7	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	-95.4	150.3	-177.1	-63.5	176.4	0	0	0	110.4	A465 L470	L434-A465 HydrophobicContact CD2-CB 4.09Å; L434-L470 HydrophobicContact CD2-CB 3.89Å; L434-L470 WeakPolarHBondContact CD2-O 3.18Å
435	S	94.2	Very high	96	Very high	75 Å²	75	38.9 Å²	38.9	52%	0.524	22%	0.219	S	C	.	.			trans	-64.2	146.1	176	61.4	0	0	0	0	112.3	I459	S435-I459 WeakPolarHBondContact CA-O 3.48Å
436	G	95.4	Very high	95.8	Very high	12 Å²	12	39.6 Å²	39.6	12%	0.124	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	170	174.2	0	0	0	0	0	113.2	Y438 Q458 I459	G436-Y438 VanDerWaalsContact C-CD2 3.47Å; G436-Y438 VanDerWaalsContact C-CE2 3.41Å; G436-Y438 WeakPolarHBondContact O-CD2 3.24Å; G436-Y438 WeakPolarHBondContact O-CE2 3.37Å; G436-Q458 WeakPolarHBondContact O-CA 3.27Å; G436-Q458 PolarHBondContact O-OE1 2.71Å; G436-I459 PolarHBondContact N-O 2.86Å; G436-I459 VanDerWaalsContact N-O 3.1Å; G436-I459 PolarHBondContact O-N 3.37Å
437	E	97	Very high	95.7	Very high	83 Å²	83	40.1 Å²	40.1	39%	0.388	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.9	172.9	-160.7	-178.9	-169.1	0	0	110	V396 N456 F457	V396-E437 HydrophobicContact CB-CB 4.27Å; V396-E437 HydrophobicContact CB-CG 4.33Å; V396-E437 HydrophobicContact CG2-CB 4.04Å; V396-E437 HydrophobicContact CG2-CG 3.67Å; V396-E437 PolarHBondContact N-O 3.21Å; E437-N456 HydrophobicContact CG-CB 4.09Å; E437-N456 VanDerWaalsContact OE1-CB 3.32Å; E437-N456 WeakPolarHBondContact OE1-CB 3.29Å; E437-N456 PolarHBondContact OE1-ND2 2.87Å; E437-F457 WeakPolarHBondContact CA-O 3.43Å
438	Y	97.6	Very high	95.6	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164	-173.1	-66	-89.2	0	0	0	111.8	L393 Y394 K395 E405 P432 G436 N456 F457 I459	L393-Y438 HydrophobicContact CD1-CD1 4.11Å; L393-Y438 HydrophobicContact CD1-CG 4.16Å; L393-Y438 HydrophobicContact CD2-CD1 4.4Å; L393-Y438 HydrophobicContact CG-CD1 4.05Å; Y394-Y438 CarbonylContact O-C 3.56Å; Y394-Y438 WeakPolarHBondContact O-CA 3.45Å; Y394-Y438 WeakPolarHBondContact O-CB 3.43Å; Y394-Y438 WeakPolarHBondContact O-CD1 3.41Å; K395-Y438 HydrophobicContact CB-CD1 4.11Å; K395-Y438 HydrophobicContact CB-CE1 3.81Å; K395-Y438 HydrophobicContact CG-CE1 4.08Å; E405-Y438 HydrophobicContact CG-CE1 3.85Å; P432-Y438 VanDerWaalsContact CB-OH 3.31Å; P432-Y438 WeakPolarHBondContact CB-OH 3.35Å; P432-Y438 HydrophobicContact CG-CE1 3.85Å; P432-Y438 HydrophobicContact CG-CE2 4.45Å; P432-Y438 WeakPolarHBondContact CG-OH 3Å; G436-Y438 VanDerWaalsContact C-CD2 3.47Å; G436-Y438 VanDerWaalsContact C-CE2 3.41Å; G436-Y438 WeakPolarHBondContact O-CD2 3.24Å; G436-Y438 WeakPolarHBondContact O-CE2 3.37Å; Y438-N456 CarbonylContact O-C 3.59Å; Y438-N456 WeakPolarHBondContact O-CA 3.18Å; Y438-F457 PolarHBondContact N-O 3.2Å; Y438-F457 VanDerWaalsContact O-CD1 3.28Å; Y438-F457 WeakPolarHBondContact O-CD1 3.43Å; Y438-F457 PolarHBondContact O-N 3.1Å; Y438-I459 HydrophobicContact CD1-CD1 4.28Å; Y438-I459 HydrophobicContact CD2-CB 3.71Å; Y438-I459 HydrophobicContact CD2-CD1 3.54Å; Y438-I459 HydrophobicContact CD2-CG1 3.48Å; Y438-I459 VanDerWaalsContact CD2-CG1 3.48Å; Y438-I459 HydrophobicContact CE2-CB 3.76Å; Y438-I459 HydrophobicContact CE2-CD1 3.89Å; Y438-I459 HydrophobicContact CE2-CG1 3.98Å; Y438-I459 HydrophobicContact CG-CD1 3.76Å; Y438-I459 HydrophobicContact CG-CG1 4.08Å
439	V	97.8	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.6	174.5	62.5	0	0	0	0	109.1	M120 Y394 F398 L453 S454	M120-V439 HydrophobicContact SD-CG1 4.48Å; Y394-V439 PolarHBondContact N-O 2.91Å; Y394-V439 PolarHBondContact O-N 3.33Å; F398-V439 HydrophobicContact CD1-CG1 4.2Å; F398-V439 HydrophobicContact CE1-CG1 3.9Å; V439-L453 HydrophobicContact CG2-CB 4.46Å; V439-L453 HydrophobicContact CG2-CD2 4.04Å; V439-S454 VanDerWaalsContact CG2-O 3.3Å; V439-S454 WeakPolarHBondContact CG2-O 3.45Å
440	L	98.5	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.5	170.4	-62.7	171.6	0	0	0	109.3	L361 P363 W367 L375 I391 G392 L393 L453 S454 F457	L361-L440 HydrophobicContact CD1-CB 3.51Å; L361-L440 HydrophobicContact CG-CB 4.13Å; P363-L440 HydrophobicContact CB-CD1 4.37Å; W367-L440 HydrophobicContact CH2-CD1 4.42Å; W367-L440 HydrophobicContact CH2-CD2 3.84Å; W367-L440 HydrophobicContact CZ2-CD1 4.5Å; W367-L440 HydrophobicContact CZ3-CD2 4.3Å; L375-L440 HydrophobicContact CB-CD1 3.8Å; L375-L440 HydrophobicContact CD2-CD1 4.21Å; L375-L440 HydrophobicContact CD2-CD2 4.21Å; I391-L440 HydrophobicContact CG2-CB 4.25Å; I391-L440 HydrophobicContact CG2-CD2 4.3Å; G392-L440 WeakPolarHBondContact O-CA 3.48Å; L393-L440 HydrophobicContact CB-CD2 4.38Å; L393-L440 HydrophobicContact CD1-CD2 3.9Å; L440-L453 WeakPolarHBondContact O-CA 3.49Å; L440-S454 PolarHBondContact N-OG 2.89Å; L440-S454 PolarHBondContact O-N 3.48Å; L440-F457 HydrophobicContact CD2-CE1 4.43Å; L440-F457 HydrophobicContact CD2-CZ 4.24Å; L440-F457 HydrophobicContact CG-CE1 3.84Å; L440-F457 HydrophobicContact CG-CZ 4.06Å
441	G	98.3	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.1	175.8	0	0	0	0	0	112.2	I391 G392 G452	I391-G441 WeakPolarHBondContact CA-O 3.36Å; G392-G441 PolarHBondContact N-O 3.22Å; G392-G441 PolarHBondContact O-N 3.44Å; G441-G452 WeakPolarHBondContact CA-O 3.2Å
442	Y	97.8	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.4	171.9	-173	-69.3	0	0	0	109.3	V359 Y377 F383 D389 I391 V410 I450 V451 G452	V359-Y442 HydrophobicContact CB-CD2 4.15Å; V359-Y442 HydrophobicContact CB-CG 4.07Å; V359-Y442 HydrophobicContact CG1-CD2 3.6Å; V359-Y442 HydrophobicContact CG1-CE2 4.13Å; V359-Y442 HydrophobicContact CG1-CG 3.98Å; V359-Y442 HydrophobicContact CG2-CD1 4Å; V359-Y442 HydrophobicContact CG2-CD2 3.99Å; V359-Y442 HydrophobicContact CG2-CE1 4.14Å; V359-Y442 HydrophobicContact CG2-CE2 4.05Å; V359-Y442 HydrophobicContact CG2-CG 3.93Å; Y377-Y442 HydrophobicContact CD2-CD2 4.44Å; Y377-Y442 HydrophobicContact CD2-CE2 4.17Å; Y377-Y442 HydrophobicContact CE2-CE2 4.28Å; F383-Y442 HydrophobicContact CE2-CE1 4.34Å; F383-Y442 AromaticContact CZ-CE1 3.85Å; F383-Y442 HydrophobicContact CZ-CE1 3.85Å; D389-Y442 HydrophobicContact CB-CE1 3.94Å; D389-Y442 PolarHBondContact OD2-OH 2.9Å; I391-Y442 HydrophobicContact CD1-CD2 4.14Å; I391-Y442 HydrophobicContact CG1-CD2 3.77Å; I391-Y442 HydrophobicContact CG1-CG 4.36Å; V410-Y442 HydrophobicContact CB-CE2 4.12Å; V410-Y442 HydrophobicContact CG1-CE2 3.63Å; V410-Y442 HydrophobicContact CG2-CD2 3.8Å; V410-Y442 HydrophobicContact CG2-CE2 3.31Å; Y442-I450 CarbonylContact O-C 3.51Å; Y442-I450 VanDerWaalsContact O-CA 3.26Å; Y442-I450 WeakPolarHBondContact O-CA 3.28Å; Y442-V451 HydrophobicContact CD1-CG2 3.47Å; Y442-V451 VanDerWaalsContact CD1-CG2 3.47Å; Y442-V451 HydrophobicContact CE1-CG2 3.96Å; Y442-V451 HydrophobicContact CG-CG2 4.38Å; Y442-V451 PolarHBondContact O-N 2.94Å; Y442-G452 PolarHBondContact N-O 3.27Å
443	Y	97.7	Very high	96.2	Very high	35 Å²	35	26.9 Å²	26.9	14%	0.137	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.3	174.9	-169.3	-82.9	0	0	0	110.8	D389 W390 A401 N448 S449 I450	D389-Y443 WeakPolarHBondContact CA-O 3.42Å; D389-Y443 WeakPolarHBondContact CB-O 3.16Å; W390-Y443 HydrophobicContact CD2-CD1 4.2Å; W390-Y443 HydrophobicContact CD2-CG 4.32Å; W390-Y443 VanDerWaalsContact CE2-CB 3.48Å; W390-Y443 AromaticContact CE2-CD1 3.85Å; W390-Y443 AromaticContact CE2-CG 3.71Å; W390-Y443 AromaticContact CE3-CD1 3.96Å; W390-Y443 HydrophobicContact CE3-CD1 3.96Å; W390-Y443 AromaticContact CH2-CD1 3.02Å; W390-Y443 HydrophobicContact CH2-CD1 3.02Å; W390-Y443 HydrophobicContact CH2-CD2 4.4Å; W390-Y443 AromaticContact CH2-CE1 3.21Å; W390-Y443 HydrophobicContact CH2-CE1 3.21Å; W390-Y443 AromaticContact CH2-CG 3.67Å; W390-Y443 HydrophobicContact CH2-CG 3.67Å; W390-Y443 AromaticContact CZ2-CD1 3.27Å; W390-Y443 HydrophobicContact CZ2-CD1 3.27Å; W390-Y443 AromaticContact CZ2-CD2 3.93Å; W390-Y443 HydrophobicContact CZ2-CD2 3.93Å; W390-Y443 AromaticContact CZ2-CE1 3.76Å; W390-Y443 HydrophobicContact CZ2-CE1 3.76Å; W390-Y443 HydrophobicContact CZ2-CE2 4.36Å; W390-Y443 AromaticContact CZ2-CG 3.35Å; W390-Y443 HydrophobicContact CZ2-CG 3.35Å; W390-Y443 AromaticContact CZ3-CD1 3.39Å; W390-Y443 HydrophobicContact CZ3-CD1 3.39Å; W390-Y443 AromaticContact CZ3-CE1 3.81Å; W390-Y443 HydrophobicContact CZ3-CE1 3.81Å; W390-Y443 HydrophobicContact CZ3-CG 4.25Å; W390-Y443 PolarHBondContact N-O 2.87Å; W390-Y443 PolarHBondContact O-N 3.37Å; A401-Y443 HydrophobicContact CB-CD2 3.69Å; A401-Y443 HydrophobicContact CB-CE2 3.56Å; Y443-N448 WeakPolarHBondContact OH-CA 3.47Å; Y443-S449 WeakPolarHBondContact CA-O 3.29Å; Y443-I450 HydrophobicContact CD2-CG1 3.91Å
444	S	96.3	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.1	171.7	177.6	0	0	0	0	110.5	D389 L447 N448 S449	D389-S444 WeakPolarHBondContact OD1-CA 3.39Å; S444-L447 PolarHBondContact OG-N 3.46Å; S444-N448 WeakPolarHBondContact O-CA 3.49Å; S444-N448 PolarHBondContact O-N 2.87Å; S444-S449 PolarHBondContact N-O 3.38Å; S444-S449 PolarHBondContact O-N 3.42Å
445	T	94.1	Very high	96.6	Very high	40 Å²	40	29.4 Å²	29.4	25%	0.245	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-40.6	178.2	-73.4	0	0	0	0	111.8	W388 D389 W390 L447 N448	W388-T445 HydrophobicContact CB-CG2 4.24Å; W388-T445 PolarHBondContact O-OG1 3.31Å; D389-T445 PolarHBondContact OD1-N 3.13Å; W390-T445 WeakPolarHBondContact CZ3-OG1 3.33Å; T445-L447 VanDerWaalsContact C-N 3.35Å; T445-L447 PolarHBondContact O-N 2.77Å; T445-N448 PolarHBondContact O-N 2.96Å; T445-N448 PolarHBondContact O-OD1 2.9Å
446	N	92.6	Very high	96.7	Very high	79 Å²	79	29.1 Å²	29.1	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.8	-179.2	-69	-18.7	0	0	0	112.2	M384	M384-N446 VanDerWaalsContact O-CB 3.23Å; M384-N446 WeakPolarHBondContact O-CB 3.4Å; M384-N446 PolarHBondContact O-ND2 3.31Å
447	L	94	Very high	96.9	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.084	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.9	177.5	-56.3	175.3	0	0	0	113	N128 I129 L358 F383 S444 T445 S449 V451	N128-L447 PolarHBondContact N-O 3.36Å; N128-L447 WeakPolarHBondContact OD1-CD2 3.45Å; I129-L447 PolarHBondContact N-O 2.95Å; I129-L447 VanDerWaalsContact N-O 3.09Å; L358-L447 HydrophobicContact CD1-CD1 3.66Å; F383-L447 HydrophobicContact CB-CD1 4.44Å; F383-L447 HydrophobicContact CD2-CD1 3.63Å; F383-L447 HydrophobicContact CD2-CG 4.39Å; F383-L447 HydrophobicContact CE2-CD1 4.21Å; F383-L447 HydrophobicContact CG-CD1 4.26Å; S444-L447 PolarHBondContact OG-N 3.46Å; T445-L447 VanDerWaalsContact C-N 3.35Å; T445-L447 PolarHBondContact O-N 2.77Å; L447-S449 VanDerWaalsContact C-N 3.25Å; L447-S449 WeakPolarHBondContact CB-OG 3.36Å; L447-S449 PolarHBondContact O-N 3.03Å; L447-S449 PolarHBondContact O-OG 3.41Å; L447-V451 HydrophobicContact CB-CG1 4.47Å; L447-V451 HydrophobicContact CD1-CG1 3.77Å
448	N	95.4	Very high	96.9	Very high	72 Å²	72	30.9 Å²	30.9	39%	0.385	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	44.5	-173.1	-70.2	-59.5	0	0	0	113.6	I129 Y443 S444 T445	I129-N448 HydrophobicContact CB-CB 4.14Å; I129-N448 WeakPolarHBondContact CD1-O 3.46Å; I129-N448 PolarHBondContact O-ND2 2.75Å; Y443-N448 WeakPolarHBondContact OH-CA 3.47Å; S444-N448 WeakPolarHBondContact O-CA 3.49Å; S444-N448 PolarHBondContact O-N 2.87Å; T445-N448 PolarHBondContact O-N 2.96Å; T445-N448 PolarHBondContact O-OD1 2.9Å
449	S	96.7	Very high	96.8	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	157	-172.2	42.9	0	0	0	0	112.8	I126 Y443 S444 L447	I126-S449 WeakPolarHBondContact O-CB 3.44Å; I126-S449 PolarHBondContact O-OG 3.41Å; Y443-S449 WeakPolarHBondContact CA-O 3.29Å; S444-S449 PolarHBondContact N-O 3.38Å; S444-S449 PolarHBondContact O-N 3.42Å; L447-S449 VanDerWaalsContact C-N 3.25Å; L447-S449 WeakPolarHBondContact CB-OG 3.36Å; L447-S449 PolarHBondContact O-N 3.03Å; L447-S449 PolarHBondContact O-OG 3.41Å
450	I	97.9	Very high	96.8	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119	165.5	-64.9	174.7	0	0	0	107.3	L123 P124 F398 A401 Y442 Y443 G452 L453	L123-I450 CarbonylContact C-O 3.52Å; L123-I450 VanDerWaalsContact C-O 3.27Å; L123-I450 HydrophobicContact CB-CB 4.36Å; L123-I450 HydrophobicContact CD1-CD1 4.24Å; P124-I450 VanDerWaalsContact CA-O 3.28Å; P124-I450 WeakPolarHBondContact CA-O 3.4Å; F398-I450 HydrophobicContact CE2-CD1 3.99Å; F398-I450 HydrophobicContact CZ-CD1 4.16Å; A401-I450 HydrophobicContact CB-CD1 4.17Å; A401-I450 HydrophobicContact CB-CG1 4.29Å; Y442-I450 CarbonylContact O-C 3.51Å; Y442-I450 VanDerWaalsContact O-CA 3.26Å; Y442-I450 WeakPolarHBondContact O-CA 3.28Å; Y443-I450 HydrophobicContact CD2-CG1 3.91Å; I450-G452 WeakPolarHBondContact CG2-O 3.26Å; I450-L453 HydrophobicContact CG2-CD2 3.85Å; I450-L453 HydrophobicContact CG2-CG 3.9Å
451	V	97.4	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	3.5	-173.2	-62.8	0	0	0	0	114	L358 V359 F383 Y442 L447	L358-V451 HydrophobicContact CB-CB 4.11Å; L358-V451 HydrophobicContact CB-CG2 4.36Å; L358-V451 HydrophobicContact CD1-CB 4Å; L358-V451 HydrophobicContact CD1-CG1 4.07Å; L358-V451 HydrophobicContact CG-CB 4.41Å; L358-V451 PolarHBondContact N-O 3.19Å; V359-V451 HydrophobicContact CG2-CG2 4.13Å; V359-V451 PolarHBondContact N-O 3.23Å; F383-V451 HydrophobicContact CE2-CG2 4.41Å; F383-V451 HydrophobicContact CZ-CG2 4.15Å; Y442-V451 HydrophobicContact CD1-CG2 3.47Å; Y442-V451 VanDerWaalsContact CD1-CG2 3.47Å; Y442-V451 HydrophobicContact CE1-CG2 3.96Å; Y442-V451 HydrophobicContact CG-CG2 4.38Å; Y442-V451 PolarHBondContact O-N 2.94Å; L447-V451 HydrophobicContact CB-CG1 4.47Å; L447-V451 HydrophobicContact CD1-CG1 3.77Å
452	G	97.6	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	140	172.5	0	0	0	0	0	110.2	V359 L361 G441 Y442 I450	V359-G452 VanDerWaalsContact O-CA 3.23Å; V359-G452 WeakPolarHBondContact O-CA 3.42Å; L361-G452 VanDerWaalsContact CD2-C 3.44Å; G441-G452 WeakPolarHBondContact CA-O 3.2Å; Y442-G452 PolarHBondContact N-O 3.27Å; I450-G452 WeakPolarHBondContact CG2-O 3.26Å
453	L	98.1	Very high	96	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.099	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.1	171.5	-73.7	167.9	0	0	0	109.3	M120 L123 P124 Q357 V439 L440 I450	M120-L453 HydrophobicContact CG-CD1 3.86Å; M120-L453 WeakPolarHBondContact O-CD1 3.39Å; L123-L453 HydrophobicContact CB-CD1 4.36Å; L123-L453 HydrophobicContact CD1-CD1 4.49Å; P124-L453 HydrophobicContact CG-CB 4.36Å; P124-L453 HydrophobicContact CG-CD1 3.98Å; P124-L453 HydrophobicContact CG-CG 4.11Å; Q357-L453 PolarHBondContact NE2-O 2.93Å; Q357-L453 PolarHBondContact OE1-O 3.49Å; V439-L453 HydrophobicContact CG2-CB 4.46Å; V439-L453 HydrophobicContact CG2-CD2 4.04Å; L440-L453 WeakPolarHBondContact O-CA 3.49Å; I450-L453 HydrophobicContact CG2-CD2 3.85Å; I450-L453 HydrophobicContact CG2-CG 3.9Å
454	S	98.1	Very high	95.5	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.084	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-78.6	169.7	167.7	73.2	0	0	0	0	111.1	L361 V439 L440	L361-S454 WeakPolarHBondContact O-CA 3.31Å; L361-S454 WeakPolarHBondContact O-CB 3.4Å; V439-S454 VanDerWaalsContact CG2-O 3.3Å; V439-S454 WeakPolarHBondContact CG2-O 3.45Å; L440-S454 PolarHBondContact N-OG 2.89Å; L440-S454 PolarHBondContact O-N 3.48Å
455	D	96.9	Very high	95.2	Very high	149 Å²	149	50.5 Å²	50.5	80%	0.797	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-61.7	156.8	157.2	-73.9	-36.2	0	0	0	110.7
456	N	96.8	Very high	94.8	Very high	69 Å²	69	51 Å²	51	37%	0.369	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.3	140.9	171.5	-69.3	4.9	0	0	0	110.5	V396 E437 Y438	V396-N456 HydrophobicContact CG2-CB 4.41Å; E437-N456 HydrophobicContact CG-CB 4.09Å; E437-N456 VanDerWaalsContact OE1-CB 3.32Å; E437-N456 WeakPolarHBondContact OE1-CB 3.29Å; E437-N456 PolarHBondContact OE1-ND2 2.87Å; Y438-N456 CarbonylContact O-C 3.59Å; Y438-N456 WeakPolarHBondContact O-CA 3.18Å
457	F	97.7	Very high	94.6	Very high	26 Å²	26	55 Å²	55	11%	0.114	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	162.4	176.6	68.3	-78.3	0	0	0	111.9	P363 W367 L393 E437 Y438 L440 I459	P363-F457 HydrophobicContact CB-CD1 4.33Å; P363-F457 HydrophobicContact CB-CD2 3.89Å; P363-F457 HydrophobicContact CB-CE1 4.34Å; P363-F457 HydrophobicContact CB-CE2 3.88Å; P363-F457 HydrophobicContact CB-CG 4.11Å; P363-F457 HydrophobicContact CB-CZ 4.1Å; P363-F457 HydrophobicContact CG-CB 3.9Å; P363-F457 HydrophobicContact CG-CD1 3.76Å; P363-F457 HydrophobicContact CG-CD2 3.87Å; P363-F457 HydrophobicContact CG-CE1 4.2Å; P363-F457 HydrophobicContact CG-CE2 4.28Å; P363-F457 HydrophobicContact CG-CG 3.58Å; P363-F457 HydrophobicContact CG-CZ 4.42Å; W367-F457 HydrophobicContact CB-CE2 4.41Å; W367-F457 AromaticContact CD2-CE2 3.7Å; W367-F457 HydrophobicContact CD2-CE2 3.7Å; W367-F457 HydrophobicContact CD2-CZ 4.32Å; W367-F457 AromaticContact CE3-CE2 3.71Å; W367-F457 HydrophobicContact CE3-CE2 3.71Å; W367-F457 HydrophobicContact CE3-CZ 4.04Å; W367-F457 HydrophobicContact CG-CE2 4.04Å; W367-F457 HydrophobicContact CH2-CZ 4.48Å; W367-F457 HydrophobicContact CZ3-CE2 4.27Å; W367-F457 HydrophobicContact CZ3-CZ 4.13Å; L393-F457 HydrophobicContact CD1-CE1 4.27Å; L393-F457 HydrophobicContact CD1-CE2 4.44Å; L393-F457 HydrophobicContact CD1-CZ 3.57Å; E437-F457 WeakPolarHBondContact CA-O 3.43Å; Y438-F457 PolarHBondContact N-O 3.2Å; Y438-F457 VanDerWaalsContact O-CD1 3.28Å; Y438-F457 WeakPolarHBondContact O-CD1 3.43Å; Y438-F457 PolarHBondContact O-N 3.1Å; L440-F457 HydrophobicContact CD2-CE1 4.43Å; L440-F457 HydrophobicContact CD2-CZ 4.24Å; L440-F457 HydrophobicContact CG-CE1 3.84Å; L440-F457 HydrophobicContact CG-CZ 4.06Å; F457-I459 HydrophobicContact CD2-CG1 4.37Å; F457-I459 HydrophobicContact CE2-CD1 4.28Å; F457-I459 HydrophobicContact CE2-CG1 3.84Å
458	Q	97.4	Very high	94.3	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.4	179.5	-66.7	-66.4	-44.7	0	0	110.4	G436	G436-Q458 WeakPolarHBondContact O-CA 3.27Å; G436-Q458 PolarHBondContact O-OE1 2.71Å
459	I	97.1	Very high	93.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129	159.9	-62	-176.9	0	0	0	106.8	W367 L393 P432 S435 G436 Y438 F457	W367-I459 HydrophobicContact CB-CB 4.49Å; W367-I459 HydrophobicContact CB-CG1 3.89Å; W367-I459 HydrophobicContact CB-CG2 4.45Å; W367-I459 HydrophobicContact CE3-CD1 3.88Å; W367-I459 HydrophobicContact CE3-CG1 4.28Å; W367-I459 WeakPolarHBondContact O-CA 3.4Å; L393-I459 HydrophobicContact CD1-CD1 4.05Å; L393-I459 HydrophobicContact CD2-CD1 3.64Å; L393-I459 HydrophobicContact CG-CD1 4.4Å; P432-I459 HydrophobicContact CG-CD1 4.38Å; S435-I459 WeakPolarHBondContact CA-O 3.48Å; G436-I459 PolarHBondContact N-O 2.86Å; G436-I459 VanDerWaalsContact N-O 3.1Å; G436-I459 PolarHBondContact O-N 3.37Å; Y438-I459 HydrophobicContact CD1-CD1 4.28Å; Y438-I459 HydrophobicContact CD2-CB 3.71Å; Y438-I459 HydrophobicContact CD2-CD1 3.54Å; Y438-I459 HydrophobicContact CD2-CG1 3.48Å; Y438-I459 VanDerWaalsContact CD2-CG1 3.48Å; Y438-I459 HydrophobicContact CE2-CB 3.76Å; Y438-I459 HydrophobicContact CE2-CD1 3.89Å; Y438-I459 HydrophobicContact CE2-CG1 3.98Å; Y438-I459 HydrophobicContact CG-CD1 3.76Å; Y438-I459 HydrophobicContact CG-CG1 4.08Å; F457-I459 HydrophobicContact CD2-CG1 4.37Å; F457-I459 HydrophobicContact CE2-CD1 4.28Å; F457-I459 HydrophobicContact CE2-CG1 3.84Å
460	L	95.9	Very high	93	Very high	80 Å²	80	65.1 Å²	65.1	42%	0.419	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	150.9	-178.2	-57	179.6	0	0	0	110.9	E366 W367 S462	E366-L460 HydrophobicContact CB-CD1 4.43Å; W367-L460 PolarHBondContact O-N 3.44Å; L460-S462 PolarHBondContact O-N 3.13Å
461	E	93.8	Very high	91.9	Very high	89 Å²	89	70.5 Å²	70.5	42%	0.416	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-60.1	131.7	172.9	-177.8	176.1	-131.9	0	0	110.6	A465	E461-A465 HydrophobicContact CG-CB 3.79Å
462	S	93.2	Very high	90.3	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.007	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.5	150.7	176.4	65.3	0	0	0	0	111.9	D370 L433 L460 R464 A465 A466	D370-S462 WeakPolarHBondContact OD1-CA 2.92Å; D370-S462 WeakPolarHBondContact OD1-CB 3.39Å; L433-S462 PolarHBondContact O-N 2.87Å; L433-S462 PolarHBondContact O-OG 3.05Å; L433-S462 VanDerWaalsContact O-OG 3.05Å; L460-S462 PolarHBondContact O-N 3.13Å; S462-R464 PolarHBondContact O-N 3.42Å; S462-R464 VanDerWaalsContact O-N 3.17Å; S462-A465 PolarHBondContact O-N 2.71Å; S462-A465 VanDerWaalsContact O-N 3.1Å; S462-A465 VanDerWaalsContact OG-CB 3.3Å; S462-A465 WeakPolarHBondContact OG-CB 3.43Å; S462-A465 PolarHBondContact OG-N 3.48Å; S462-A466 PolarHBondContact O-N 2.97Å
463	K	90.6	Very high	88.2	Confident	146 Å²	146	82.6 Å²	82.6	64%	0.635	42%	0.417	S	S	*	.	H	α-helix	trans	-56.6	-34.5	172.3	-74.6	164.2	-165.9	161.7	0	111.8	D370 M467	D370-K463 PolarHBondContact OD1-N 3.05Å; D370-K463 VanDerWaalsContact OD2-CD 3.24Å; D370-K463 WeakPolarHBondContact OD2-CD 3.48Å; D370-K463 VanDerWaalsContact OD2-CE 3.22Å; D370-K463 WeakPolarHBondContact OD2-CE 3.2Å; D370-K463 VanDerWaalsContact OD2-CG 3.23Å; D370-K463 WeakPolarHBondContact OD2-CG 3.25Å; D370-K463 IonicContact OD2-NZ 2.64Å; K463-M467 WeakPolarHBondContact O-CB 3.43Å; K463-M467 WeakPolarHBondContact O-CG 3.42Å; K463-M467 PolarHBondContact O-N 3Å
464	R	88.9	Confident	85.6	Confident	141 Å²	141	88 Å²	88	53%	0.532	45%	0.446	S	S	.	.	H	α-helix	trans	-63.3	-48.8	176.9	-177.4	179.8	175.4	-164.1	-7.9	111.5	S462 A466 M467 E468	S462-R464 PolarHBondContact O-N 3.42Å; S462-R464 VanDerWaalsContact O-N 3.17Å; R464-A466 VanDerWaalsContact C-N 3.32Å; R464-A466 PolarHBondContact O-N 3.46Å; R464-M467 PolarHBondContact O-N 3.11Å; R464-E468 HydrophobicContact CG-CG 4.44Å; R464-E468 WeakPolarHBondContact CG-OE1 3.4Å; R464-E468 IonicContact CZ-OE1 2.94Å; R464-E468 IonicContact NE-OE1 3.94Å; R464-E468 PolarHBondContact NE-OE1 3.03Å; R464-E468 IonicContact NE-OE2 3.35Å; R464-E468 IonicContact NH2-OE1 3.98Å; R464-E468 IonicContact NH2-OE2 3.99Å; R464-E468 WeakPolarHBondContact O-CB 3.43Å; R464-E468 WeakPolarHBondContact O-CG 3.33Å; R464-E468 PolarHBondContact O-N 3.29Å
465	A	88.2	Confident	83	Confident	0 Å²	0	94.3 Å²	94.3	0%	0	48%	0.478	C	S	.	.	H	α-helix	trans	-59.9	-44.2	177.6	0	0	0	0	0	111.9	L433 L434 E461 S462 M467 E468 D469 L470	L433-A465 HydrophobicContact CB-CB 4.28Å; L433-A465 WeakPolarHBondContact O-CB 3.47Å; L434-A465 HydrophobicContact CD2-CB 4.09Å; E461-A465 HydrophobicContact CG-CB 3.79Å; S462-A465 PolarHBondContact O-N 2.71Å; S462-A465 VanDerWaalsContact O-N 3.1Å; S462-A465 VanDerWaalsContact OG-CB 3.3Å; S462-A465 WeakPolarHBondContact OG-CB 3.43Å; S462-A465 PolarHBondContact OG-N 3.48Å; A465-M467 VanDerWaalsContact C-N 3.32Å; A465-M467 PolarHBondContact O-N 2.95Å; A465-E468 PolarHBondContact O-N 2.81Å; A465-D469 PolarHBondContact O-N 3.09Å; A465-L470 HydrophobicContact CB-CB 4.17Å; A465-L470 HydrophobicContact CB-CD1 4.05Å; A465-L470 HydrophobicContact CB-CG 4.42Å; A465-L470 PolarHBondContact O-N 3.36Å; A465-L470 VanDerWaalsContact O-N 3.09Å
466	A	87.2	Confident	80.1	Confident	52 Å²	52	93.5 Å²	93.5	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-33.6	177	0	0	0	0	0	113.1	S462 R464	S462-A466 PolarHBondContact O-N 2.97Å; R464-A466 VanDerWaalsContact C-N 3.32Å; R464-A466 PolarHBondContact O-N 3.46Å
467	M	87.2	Confident	77.1	Confident	163 Å²	163	94.1 Å²	94.1	80%	0.803	50%	0.496	S	S	*	.	H	α-helix	trans	-76.8	-31.7	176.3	-75.5	177.3	65.2	0	0	113.3	K463 R464 A465	K463-M467 WeakPolarHBondContact O-CB 3.43Å; K463-M467 WeakPolarHBondContact O-CG 3.42Å; K463-M467 PolarHBondContact O-N 3Å; R464-M467 PolarHBondContact O-N 3.11Å; A465-M467 VanDerWaalsContact C-N 3.32Å; A465-M467 PolarHBondContact O-N 2.95Å
468	E	88.8	Confident	74.3	Confident	104 Å²	104	100.2 Å²	100.2	49%	0.486	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4	-177.8	-69.1	177.9	-165.3	0	0	112.7	R464 A465 L470	R464-E468 HydrophobicContact CG-CG 4.44Å; R464-E468 WeakPolarHBondContact CG-OE1 3.4Å; R464-E468 IonicContact CZ-OE1 2.94Å; R464-E468 IonicContact NE-OE1 3.94Å; R464-E468 PolarHBondContact NE-OE1 3.03Å; R464-E468 IonicContact NE-OE2 3.35Å; R464-E468 IonicContact NH2-OE1 3.98Å; R464-E468 IonicContact NH2-OE2 3.99Å; R464-E468 WeakPolarHBondContact O-CB 3.43Å; R464-E468 WeakPolarHBondContact O-CG 3.33Å; R464-E468 PolarHBondContact O-N 3.29Å; A465-E468 PolarHBondContact O-N 2.81Å; E468-L470 HydrophobicContact CB-CD2 4.17Å; E468-L470 HydrophobicContact CB-CG 3.96Å; E468-L470 PolarHBondContact O-N 3.04Å
469	D	82.1	Confident	71.2	Confident	138 Å²	138	102.7 Å²	102.7	74%	0.738	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	44.1	-174.1	-73.8	-35.8	0	0	0	112	A465 V471	A465-D469 PolarHBondContact O-N 3.09Å; D469-V471 PolarHBondContact O-N 3.15Å
470	L	82.4	Confident	68.1	Low	63 Å²	63	115.7 Å²	115.7	33%	0.33	60%	0.601	S	S	.	*			trans	-67.7	126.9	179.4	-64.7	-178	0	0	0	109.7	L433 L434 A465 E468	L433-L470 HydrophobicContact CD1-CD1 3.92Å; L434-L470 HydrophobicContact CD2-CB 3.89Å; L434-L470 WeakPolarHBondContact CD2-O 3.18Å; A465-L470 HydrophobicContact CB-CB 4.17Å; A465-L470 HydrophobicContact CB-CD1 4.05Å; A465-L470 HydrophobicContact CB-CG 4.42Å; A465-L470 PolarHBondContact O-N 3.36Å; A465-L470 VanDerWaalsContact O-N 3.09Å; E468-L470 HydrophobicContact CB-CD2 4.17Å; E468-L470 HydrophobicContact CB-CG 3.96Å; E468-L470 PolarHBondContact O-N 3.04Å
471	V	75.4	Confident	66.8	Low	122 Å²	122	117.5 Å²	117.5	74%	0.739	61%	0.61	S	S	*	*			trans	-104.8	137.8	178	-169.1	0	0	0	0	109.7	D469 K473	D469-V471 PolarHBondContact O-N 3.15Å; V471-K473 PolarHBondContact O-N 3.04Å; V471-K473 VanDerWaalsContact O-N 3.12Å
472	S	62.7	Low	65.3	Low	63 Å²	63	118.9 Å²	118.9	44%	0.441	62%	0.621	S	S	.	*			trans	-49.2	116.3	165.1	161.6	0	0	0	0	109.7	D474	S472-D474 PolarHBondContact O-N 3.45Å; S472-D474 VanDerWaalsContact O-N 3.1Å
473	K	53.8	Low	63.8	Low	191 Å²	191	125.5 Å²	125.5	83%	0.83	66%	0.655	S	S	*	*			trans	-68.1	108.5	164.8	-74.6	-176.3	179.4	176.3	0	107.1	V471 I475	V471-K473 PolarHBondContact O-N 3.04Å; V471-K473 VanDerWaalsContact O-N 3.12Å; K473-I475 PolarHBondContact O-N 3.05Å; K473-I475 VanDerWaalsContact O-N 3.15Å
474	D	42.4	Very low	62.2	Low	132 Å²	132	124.3 Å²	124.3	71%	0.706	66%	0.656	S	S	*	*			trans	-53.7	121.2	169.2	-92	-32	0	0	0	108.9	S472 N476	S472-D474 PolarHBondContact O-N 3.45Å; S472-D474 VanDerWaalsContact O-N 3.1Å; D474-N476 PolarHBondContact O-N 2.97Å; D474-N476 VanDerWaalsContact O-N 3.11Å
475	I	43.7	Very low	60.5	Low	145 Å²	145	123.3 Å²	123.3	74%	0.744	66%	0.664	S	S	*	*	S	Bend	trans	-76	11.4	176.1	-52.7	177.3	0	0	0	110.6	K473	K473-I475 PolarHBondContact O-N 3.05Å; K473-I475 VanDerWaalsContact O-N 3.15Å
476	N	37	Very low	58.7	Low	133 Å²	133	131.5 Å²	131.5	71%	0.711	71%	0.708	S	S	*	*	S	Bend	trans	-107.6	90.8	166.4	-68.3	-24.6	0	0	0	107.3	D474 I478	D474-N476 PolarHBondContact O-N 2.97Å; D474-N476 VanDerWaalsContact O-N 3.11Å; N476-I478 PolarHBondContact O-N 2.92Å
477	G	34.1	Very low	56.7	Low	82 Å²	82	137.1 Å²	137.1	85%	0.845	73%	0.728	S	S	*	*			trans	-60.3	76.3	176.3	0	0	0	0	0	112.8
478	I	38.6	Very low	54.3	Low	154 Å²	154	135.2 Å²	135.2	79%	0.79	72%	0.722	S	S	*	*			trans	-129.3	79.8	164.8	-53.6	178.6	0	0	0	105.7	N476	N476-I478 PolarHBondContact O-N 2.92Å
479	D	32.7	Very low	51.4	Low	157 Å²	157	137.8 Å²	137.8	84%	0.84	74%	0.742	S	S	*	*			trans	-130.2	100.2	153.5	-129.2	-9.7	0	0	0	108.2
480	K	32.3	Very low	48.6	Very low	273 Å²	273	137.7 Å²	137.7	100%	1.187	74%	0.742	S	S	*	*			trans	84.4	0	176.1	-63	-176.3	-179.2	173.2	0	120.1

Retrieved 480 of 480 residues in 815.8 ms (Link to these results)

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