A0A093I0R6_STRCA Loading...

Alpha-(1,6)-fucosyltransferase

Catalyzes the addition of fucose in alpha 1-6 linkage to the first GlcNAc residue, next to the peptide chains in N-glycans.

AlphaFold DB , UniProt , Accession A0A093I0R6, Species STRCA (Struthio camelus australis), Gene n/a, Length 576 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	49.8	Very low	56.9	Low	247 Å²	247	154.5 Å²	154.5	100%	1.217	71%	0.714	S	S	*	*				0	106.2	0	-76.1	171.4	171.8	0	0	109.5
2	R	41.6	Very low	58.5	Low	240 Å²	240	149.6 Å²	149.6	91%	0.906	69%	0.694	S	S	*	*			trans	-144	120.8	161.5	-84	-172.4	176.7	-177	-1.1	105.6
3	P	49.7	Very low	60	Low	109 Å²	109	146.5 Å²	146.5	71%	0.708	68%	0.684	S	S	*	*			trans	-76.9	132.9	-170.2	30.3	-31.6	0	0	0	109.8	T5	P3-T5 HydrophobicContact CB-CG2 4.11Å; P3-T5 HydrophobicContact CG-CG2 4.04Å; P3-T5 PolarHBondContact O-N 2.96Å
4	W	44.5	Very low	61.3	Low	236 Å²	236	143.2 Å²	143.2	89%	0.894	67%	0.673	S	S	*	*			trans	-76.2	73.9	177.3	-137.5	56.4	0	0	0	108.9	G6	W4-G6 PolarHBondContact O-N 2.88Å
5	T	52	Low	62.6	Low	121 Å²	121	141 Å²	141	74%	0.742	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	34.6	-179.4	52.1	0	0	0	0	113	P3	P3-T5 HydrophobicContact CB-CG2 4.11Å; P3-T5 HydrophobicContact CG-CG2 4.04Å; P3-T5 PolarHBondContact O-N 2.96Å
6	G	56.4	Low	63.8	Low	41 Å²	41	142.1 Å²	142.1	42%	0.423	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.7	-26.6	-176.2	0	0	0	0	0	114.6	W4	W4-G6 PolarHBondContact O-N 2.88Å
7	S	59.4	Low	64.8	Low	59 Å²	59	137.2 Å²	137.2	41%	0.413	66%	0.657	S	S	.	*	H	α-helix	trans	-89	-31	-168	-167.9	0	0	0	0	114	R9 W10 I11	S7-R9 PolarHBondContact O-N 2.99Å; S7-W10 PolarHBondContact O-N 3.43Å; S7-I11 WeakPolarHBondContact O-CG1 3.32Å; S7-I11 PolarHBondContact O-N 3.3Å
8	W	63.6	Low	65.5	Low	186 Å²	186	138.3 Å²	138.3	71%	0.705	65%	0.654	S	S	*	*	H	α-helix	trans	-72.2	-29.7	-175.6	-146.3	64.1	0	0	0	113.8	I11 M12	W8-I11 PolarHBondContact O-N 3.43Å; W8-M12 HydrophobicContact CD2-CG 4.3Å; W8-M12 HydrophobicContact CE3-CG 4.12Å; W8-M12 HydrophobicContact CH2-CE 4.18Å; W8-M12 HydrophobicContact CH2-SD 4.39Å; W8-M12 HydrophobicContact CZ3-CE 4.27Å; W8-M12 HydrophobicContact CZ3-CG 4.28Å; W8-M12 WeakPolarHBondContact O-CB 3.49Å; W8-M12 WeakPolarHBondContact O-CG 3.42Å; W8-M12 PolarHBondContact O-N 3.45Å
9	R	66.3	Low	66.3	Low	200 Å²	200	133.1 Å²	133.1	76%	0.755	64%	0.64	S	S	*	*	H	α-helix	trans	-65.7	-38.2	176.7	-80	-179.8	153.2	179.5	-6.8	112.7	S7 L13	S7-R9 PolarHBondContact O-N 2.99Å; R9-L13 WeakPolarHBondContact O-CG 3.4Å; R9-L13 PolarHBondContact O-N 2.92Å; R9-L13 VanDerWaalsContact O-N 3.09Å
10	W	68.4	Low	66.9	Low	179 Å²	179	130.3 Å²	130.3	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-72.9	-38.2	177.3	-74.5	105	0	0	0	112.2	S7 L13 I14	S7-W10 PolarHBondContact O-N 3.43Å; W10-L13 PolarHBondContact O-N 3.32Å; W10-I14 VanDerWaalsContact O-CG1 3.31Å; W10-I14 WeakPolarHBondContact O-CG1 3.36Å; W10-I14 PolarHBondContact O-N 2.84Å
11	I	74.6	Confident	67.4	Low	81 Å²	81	128.2 Å²	128.2	42%	0.415	62%	0.623	S	S	.	*	H	α-helix	trans	-64.3	-42.6	175.5	-64.3	166.7	0	0	0	110.5	S7 W8 L13 I14 L15	S7-I11 WeakPolarHBondContact O-CG1 3.32Å; S7-I11 PolarHBondContact O-N 3.3Å; W8-I11 PolarHBondContact O-N 3.43Å; I11-L13 PolarHBondContact O-N 3.37Å; I11-I14 PolarHBondContact O-N 3.5Å; I11-L15 HydrophobicContact CG2-CD1 3.92Å; I11-L15 HydrophobicContact CG2-CG 4.49Å; I11-L15 WeakPolarHBondContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.4Å; I11-L15 PolarHBondContact O-N 3.09Å
12	M	75.9	Confident	68.6	Low	96 Å²	96	121.5 Å²	121.5	47%	0.473	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-38	176.1	-72.1	-68.2	-93.8	0	0	112.3	W8 L15 F16	W8-M12 HydrophobicContact CD2-CG 4.3Å; W8-M12 HydrophobicContact CE3-CG 4.12Å; W8-M12 HydrophobicContact CH2-CE 4.18Å; W8-M12 HydrophobicContact CH2-SD 4.39Å; W8-M12 HydrophobicContact CZ3-CE 4.27Å; W8-M12 HydrophobicContact CZ3-CG 4.28Å; W8-M12 WeakPolarHBondContact O-CB 3.49Å; W8-M12 WeakPolarHBondContact O-CG 3.42Å; W8-M12 PolarHBondContact O-N 3.45Å; M12-L15 PolarHBondContact O-N 3.29Å; M12-F16 VanDerWaalsContact O-CB 3.31Å; M12-F16 WeakPolarHBondContact O-CB 3.31Å; M12-F16 PolarHBondContact O-N 2.92Å
13	L	77.8	Confident	70.3	Confident	109 Å²	109	118.1 Å²	118.1	57%	0.571	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-41.2	175.1	-82.6	165.4	0	0	0	112.5	R9 W10 I11 F16 A17	R9-L13 WeakPolarHBondContact O-CG 3.4Å; R9-L13 PolarHBondContact O-N 2.92Å; R9-L13 VanDerWaalsContact O-N 3.09Å; W10-L13 PolarHBondContact O-N 3.32Å; I11-L13 PolarHBondContact O-N 3.37Å; L13-F16 PolarHBondContact O-N 3.38Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.88Å
14	I	78.7	Confident	71.5	Confident	101 Å²	101	120.7 Å²	120.7	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-42.4	177.2	-68.1	167.5	0	0	0	110.5	W10 I11 F16 A17 W18	W10-I14 VanDerWaalsContact O-CG1 3.31Å; W10-I14 WeakPolarHBondContact O-CG1 3.36Å; W10-I14 PolarHBondContact O-N 2.84Å; I11-I14 PolarHBondContact O-N 3.5Å; I14-F16 VanDerWaalsContact C-N 3.33Å; I14-F16 PolarHBondContact O-N 3.39Å; I14-A17 PolarHBondContact O-N 3.49Å; I14-W18 WeakPolarHBondContact O-CB 3.37Å; I14-W18 PolarHBondContact O-N 3.48Å
15	L	79.5	Confident	72.8	Confident	110 Å²	110	113.4 Å²	113.4	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-36.5	175.7	-75.5	169.8	0	0	0	112.1	I11 M12 W18 G19	I11-L15 HydrophobicContact CG2-CD1 3.92Å; I11-L15 HydrophobicContact CG2-CG 4.49Å; I11-L15 WeakPolarHBondContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.4Å; I11-L15 PolarHBondContact O-N 3.09Å; M12-L15 PolarHBondContact O-N 3.29Å; L15-W18 PolarHBondContact O-N 3.5Å; L15-G19 PolarHBondContact O-N 2.97Å
16	F	82.8	Confident	73.5	Confident	159 Å²	159	109.1 Å²	109.1	70%	0.697	54%	0.538	S	S	*	.	H	α-helix	trans	-69.4	-41.4	176.1	-150.7	-90.3	0	0	0	111.6	M12 L13 I14 G19 T20	M12-F16 VanDerWaalsContact O-CB 3.31Å; M12-F16 WeakPolarHBondContact O-CB 3.31Å; M12-F16 PolarHBondContact O-N 2.92Å; L13-F16 PolarHBondContact O-N 3.38Å; I14-F16 VanDerWaalsContact C-N 3.33Å; I14-F16 PolarHBondContact O-N 3.39Å; F16-G19 PolarHBondContact O-N 2.88Å; F16-T20 HydrophobicContact CD1-CG2 4.13Å; F16-T20 HydrophobicContact CE1-CG2 4.13Å; F16-T20 WeakPolarHBondContact O-CG2 3.4Å; F16-T20 PolarHBondContact O-N 3.45Å; F16-T20 PolarHBondContact O-OG1 3.5Å
17	A	79.9	Confident	73.8	Confident	58 Å²	58	108.8 Å²	108.8	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-65.6	-37.1	174.7	0	0	0	0	0	112.6	L13 I14 T20 L21	L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.88Å; I14-A17 PolarHBondContact O-N 3.49Å; A17-T20 PolarHBondContact O-OG1 3.44Å; A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 PolarHBondContact O-N 2.92Å; A17-L21 VanDerWaalsContact O-N 3.09Å
18	W	77.4	Confident	73.7	Confident	158 Å²	158	111.4 Å²	111.4	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-69.7	-37.8	172.5	-104.2	86.6	0	0	0	112.3	I14 L15 L21 L22	I14-W18 WeakPolarHBondContact O-CB 3.37Å; I14-W18 PolarHBondContact O-N 3.48Å; L15-W18 PolarHBondContact O-N 3.5Å; W18-L21 PolarHBondContact O-N 3.42Å; W18-L22 HydrophobicContact CE3-CD1 4Å; W18-L22 HydrophobicContact CE3-CG 4.15Å; W18-L22 HydrophobicContact CZ3-CD1 4.44Å; W18-L22 HydrophobicContact CZ3-CG 4.45Å; W18-L22 WeakPolarHBondContact O-CB 3.47Å; W18-L22 WeakPolarHBondContact O-CG 3.49Å; W18-L22 PolarHBondContact O-N 3.09Å
19	G	81.7	Confident	73.2	Confident	38 Å²	38	108.7 Å²	108.7	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-43	175.3	0	0	0	0	0	112.6	L15 F16 L22 F23	L15-G19 PolarHBondContact O-N 2.97Å; F16-G19 PolarHBondContact O-N 2.88Å; G19-L22 PolarHBondContact O-N 2.91Å; G19-F23 WeakPolarHBondContact O-CB 3.33Å; G19-F23 PolarHBondContact O-N 2.89Å
20	T	77.8	Confident	72.5	Confident	77 Å²	77	104 Å²	104	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-69.4	-35.1	176.1	53.5	0	0	0	0	112.3	F16 A17 F23 Y24	F16-T20 HydrophobicContact CD1-CG2 4.13Å; F16-T20 HydrophobicContact CE1-CG2 4.13Å; F16-T20 WeakPolarHBondContact O-CG2 3.4Å; F16-T20 PolarHBondContact O-N 3.45Å; F16-T20 PolarHBondContact O-OG1 3.5Å; A17-T20 PolarHBondContact O-OG1 3.44Å; T20-F23 PolarHBondContact O-N 3.19Å; T20-Y24 VanDerWaalsContact O-CB 3.25Å; T20-Y24 WeakPolarHBondContact O-CB 3.25Å; T20-Y24 PolarHBondContact O-N 3.48Å
21	L	77.1	Confident	71.3	Confident	88 Å²	88	106.2 Å²	106.2	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-45.1	173.3	-171.1	75.5	0	0	0	111.6	A17 W18 F23 Y24 I25	A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 PolarHBondContact O-N 2.92Å; A17-L21 VanDerWaalsContact O-N 3.09Å; W18-L21 PolarHBondContact O-N 3.42Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-F23 PolarHBondContact O-N 3.03Å; L21-Y24 PolarHBondContact O-N 2.78Å; L21-I25 HydrophobicContact CD1-CD1 4.4Å; L21-I25 HydrophobicContact CD2-CD1 4.49Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CB 3.45Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.36Å
22	L	76.2	Confident	69.8	Low	106 Å²	106	109 Å²	109	56%	0.555	56%	0.557	S	S	*	*	H	α-helix	trans	-66.3	-35.6	176.1	-76.3	170.5	0	0	0	112.1	W18 G19 G26	W18-L22 HydrophobicContact CE3-CD1 4Å; W18-L22 HydrophobicContact CE3-CG 4.15Å; W18-L22 HydrophobicContact CZ3-CD1 4.44Å; W18-L22 HydrophobicContact CZ3-CG 4.45Å; W18-L22 WeakPolarHBondContact O-CB 3.47Å; W18-L22 WeakPolarHBondContact O-CG 3.49Å; W18-L22 PolarHBondContact O-N 3.09Å; G19-L22 PolarHBondContact O-N 2.91Å; L22-G26 WeakPolarHBondContact O-CA 3.47Å; L22-G26 PolarHBondContact O-N 3.34Å
23	F	76.1	Confident	68	Low	168 Å²	168	108.5 Å²	108.5	74%	0.737	56%	0.563	S	S	*	*	H	α-helix	trans	-72.3	-33.4	174.9	-153.7	-88.8	0	0	0	112.3	G19 T20 L21 G27	G19-F23 WeakPolarHBondContact O-CB 3.33Å; G19-F23 PolarHBondContact O-N 2.89Å; T20-F23 PolarHBondContact O-N 3.19Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-F23 PolarHBondContact O-N 3.03Å; F23-G27 WeakPolarHBondContact O-CA 3.29Å; F23-G27 PolarHBondContact O-N 3.31Å
24	Y	74.6	Confident	66.4	Low	163 Å²	163	111.3 Å²	111.3	64%	0.639	57%	0.573	S	S	*	*	H	α-helix	trans	-69	-45.6	174.2	-176.2	-99.9	0	0	0	111.4	T20 L21 G27 H28	T20-Y24 VanDerWaalsContact O-CB 3.25Å; T20-Y24 WeakPolarHBondContact O-CB 3.25Å; T20-Y24 PolarHBondContact O-N 3.48Å; L21-Y24 PolarHBondContact O-N 2.78Å; Y24-G27 PolarHBondContact O-N 2.84Å; Y24-H28 PolarHBondContact O-N 2.81Å
25	I	72.9	Confident	64.7	Low	83 Å²	83	115.1 Å²	115.1	43%	0.426	59%	0.588	S	S	.	*	H	α-helix	trans	-68	-44.1	176.7	-65.4	168.9	0	0	0	110.6	L21 H28 L29	L21-I25 HydrophobicContact CD1-CD1 4.4Å; L21-I25 HydrophobicContact CD2-CD1 4.49Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 WeakPolarHBondContact O-CB 3.45Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 3.36Å; I25-H28 PolarHBondContact O-N 2.81Å; I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 PolarHBondContact O-N 3.02Å
26	G	66.8	Low	63.1	Low	31 Å²	31	114.9 Å²	114.9	32%	0.32	59%	0.593	S	S	.	*	H	α-helix	trans	-65.6	-37.9	175.6	0	0	0	0	0	112.9	L22 L29 V30	L22-G26 WeakPolarHBondContact O-CA 3.47Å; L22-G26 PolarHBondContact O-N 3.34Å; G26-L29 PolarHBondContact O-N 2.9Å; G26-V30 WeakPolarHBondContact O-CB 3.16Å; G26-V30 VanDerWaalsContact O-CG2 3.29Å; G26-V30 WeakPolarHBondContact O-CG2 3.38Å; G26-V30 PolarHBondContact O-N 3.27Å
27	G	61.9	Low	61.5	Low	35 Å²	35	113.5 Å²	113.5	36%	0.361	59%	0.593	S	S	.	*	H	α-helix	trans	-67.6	-32.6	175	0	0	0	0	0	113.1	F23 Y24 R31	F23-G27 WeakPolarHBondContact O-CA 3.29Å; F23-G27 PolarHBondContact O-N 3.31Å; Y24-G27 PolarHBondContact O-N 2.84Å; G27-R31 WeakPolarHBondContact O-CB 3.45Å; G27-R31 PolarHBondContact O-N 2.95Å
28	H	57.1	Low	60.1	Low	113 Å²	113	117.3 Å²	117.3	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-76	-32.9	173.6	-128.7	-70.9	0	0	0	112.4	Y24 I25	Y24-H28 PolarHBondContact O-N 2.81Å; I25-H28 PolarHBondContact O-N 2.81Å
29	L	53.7	Low	59.1	Low	129 Å²	129	113.7 Å²	113.7	68%	0.675	60%	0.599	S	S	*	*	H	α-helix	trans	-75.9	-32	177	-103.1	136.2	0	0	0	113.7	I25 G26	I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 PolarHBondContact O-N 3.02Å; G26-L29 PolarHBondContact O-N 2.9Å
30	V	51.5	Low	57.8	Low	103 Å²	103	114.9 Å²	114.9	62%	0.624	60%	0.602	S	S	*	*	H	α-helix	trans	-81.6	-29.3	178	173.8	0	0	0	0	111.5	G26 D32 S33	G26-V30 WeakPolarHBondContact O-CB 3.16Å; G26-V30 VanDerWaalsContact O-CG2 3.29Å; G26-V30 WeakPolarHBondContact O-CG2 3.38Å; G26-V30 PolarHBondContact O-N 3.27Å; V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 3.34Å; V30-S33 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-OG 3Å
31	R	44.3	Very low	57.1	Low	224 Å²	224	119.8 Å²	119.8	85%	0.845	61%	0.612	S	S	*	*	H	α-helix	trans	-79.9	-11.7	-178.2	-157.3	168.7	178.4	172.5	-1.1	114.5	G27	G27-R31 WeakPolarHBondContact O-CB 3.45Å; G27-R31 PolarHBondContact O-N 2.95Å
32	D	42.4	Very low	56.3	Low	140 Å²	140	119.9 Å²	119.9	75%	0.749	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	4.2	170.5	-87.7	-18.7	0	0	0	113.7	V30	V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 3.34Å
33	S	38.4	Very low	55.7	Low	85 Å²	85	120 Å²	120	59%	0.594	61%	0.61	S	S	*	*	S	Bend	trans	-103.5	4.9	-176.3	69.9	0	0	0	0	116.1	V30	V30-S33 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-OG 3Å
34	E	42.8	Very low	55.3	Low	168 Å²	168	115 Å²	115	79%	0.785	60%	0.596	S	S	*	*			trans	-117.4	69	176.9	-76.7	-169	152.7	0	0	113.2
35	H	44.4	Very low	55.1	Low	182 Å²	182	113.2 Å²	113.2	84%	0.843	59%	0.592	S	S	*	*			trans	-151.8	84.7	154.6	-98.6	-1.7	0	0	0	111.5
36	P	46.2	Very low	55	Low	104 Å²	104	113.5 Å²	113.5	68%	0.675	59%	0.593	S	S	*	*			trans	-84	-0.7	-179	-6.5	25.1	0	0	0	115.5
37	D	48.8	Very low	55.3	Low	130 Å²	130	116.9 Å²	116.9	70%	0.695	60%	0.604	S	S	*	*	S	Bend	trans	-108	-4.8	-163.1	-92.4	-22.3	0	0	0	117.2
38	H	50.3	Low	56	Low	139 Å²	139	117.9 Å²	117.9	64%	0.644	61%	0.608	S	S	*	*	S	Bend	trans	-95	-31.1	179.8	-150.3	-78.3	0	0	0	113.4	E42	H38-E42 WeakPolarHBondContact O-CG 3.44Å; H38-E42 PolarHBondContact O-N 3.43Å
39	S	55.2	Low	56.8	Low	81 Å²	81	119.8 Å²	119.8	57%	0.566	62%	0.615	S	S	*	*	H	α-helix	trans	-74.2	-37.9	-178	64	0	0	0	0	112.6	R41 E42 L43	S39-R41 VanDerWaalsContact C-N 3.34Å; S39-R41 PolarHBondContact O-N 2.69Å; S39-E42 PolarHBondContact O-N 2.7Å; S39-L43 WeakPolarHBondContact O-CB 3.38Å; S39-L43 PolarHBondContact O-N 2.88Å
40	S	56.2	Low	57.7	Low	64 Å²	64	118.7 Å²	118.7	45%	0.448	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-35.9	177.9	62.9	0	0	0	0	112.3	S44	S40-S44 WeakPolarHBondContact O-CB 3.36Å; S40-S44 PolarHBondContact O-N 2.85Å; S40-S44 PolarHBondContact O-OG 3.48Å
41	R	61.3	Low	58.8	Low	180 Å²	180	120.3 Å²	120.3	68%	0.679	61%	0.61	S	S	*	*	H	α-helix	trans	-73.5	-36.7	177.4	-124	175.7	162	-173.8	-4.5	112.8	S39 S44 K45	S39-R41 VanDerWaalsContact C-N 3.34Å; S39-R41 PolarHBondContact O-N 2.69Å; R41-S44 VanDerWaalsContact CA-OG 3.28Å; R41-S44 WeakPolarHBondContact CA-OG 3.49Å; R41-S44 PolarHBondContact O-OG 3.35Å; R41-S44 VanDerWaalsContact O-OG 3.11Å; R41-K45 WeakPolarHBondContact O-CB 3.33Å; R41-K45 VanDerWaalsContact O-CG 3.24Å; R41-K45 WeakPolarHBondContact O-CG 3.35Å; R41-K45 PolarHBondContact O-N 2.92Å; R41-K45 VanDerWaalsContact O-N 3.12Å
42	E	61.8	Low	60.3	Low	89 Å²	89	118.4 Å²	118.4	42%	0.416	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-45.3	170.1	-77	-83.1	129.4	0	0	110.8	H38 S39 S44 K45 I46	H38-E42 WeakPolarHBondContact O-CG 3.44Å; H38-E42 PolarHBondContact O-N 3.43Å; S39-E42 PolarHBondContact O-N 2.7Å; E42-S44 PolarHBondContact O-N 3.35Å; E42-K45 PolarHBondContact O-N 3.32Å; E42-I46 WeakPolarHBondContact O-CB 3.38Å; E42-I46 VanDerWaalsContact O-CG1 3.25Å; E42-I46 WeakPolarHBondContact O-CG1 3.45Å; E42-I46 PolarHBondContact O-N 3.31Å
43	L	63.8	Low	61.7	Low	110 Å²	110	116.7 Å²	116.7	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-41.6	178.7	-133.7	95.3	0	0	0	112	S39 I46 L47	S39-L43 WeakPolarHBondContact O-CB 3.38Å; S39-L43 PolarHBondContact O-N 2.88Å; L43-I46 PolarHBondContact O-N 3.03Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.43Å
44	S	66.6	Low	63.6	Low	63 Å²	63	119.1 Å²	119.1	44%	0.441	59%	0.593	S	S	.	*	H	α-helix	trans	-68.3	-35.1	176.5	45.8	0	0	0	0	112.4	S40 R41 E42 A48	S40-S44 WeakPolarHBondContact O-CB 3.36Å; S40-S44 PolarHBondContact O-N 2.85Å; S40-S44 PolarHBondContact O-OG 3.48Å; R41-S44 VanDerWaalsContact CA-OG 3.28Å; R41-S44 WeakPolarHBondContact CA-OG 3.49Å; R41-S44 PolarHBondContact O-OG 3.35Å; R41-S44 VanDerWaalsContact O-OG 3.11Å; E42-S44 PolarHBondContact O-N 3.35Å; S44-A48 VanDerWaalsContact O-CB 3.26Å; S44-A48 WeakPolarHBondContact O-CB 3.34Å; S44-A48 PolarHBondContact O-N 3.43Å
45	K	70.2	Confident	65.3	Low	124 Å²	124	116.9 Å²	116.9	54%	0.539	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-38.8	169.7	-76	173.4	-175.5	175.2	0	112.4	R41 E42 K49	R41-K45 WeakPolarHBondContact O-CB 3.33Å; R41-K45 VanDerWaalsContact O-CG 3.24Å; R41-K45 WeakPolarHBondContact O-CG 3.35Å; R41-K45 PolarHBondContact O-N 2.92Å; R41-K45 VanDerWaalsContact O-N 3.12Å; E42-K45 PolarHBondContact O-N 3.32Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 WeakPolarHBondContact O-CG 3.39Å; K45-K49 PolarHBondContact O-N 2.99Å
46	I	72	Confident	66.7	Low	89 Å²	89	113.1 Å²	113.1	46%	0.456	57%	0.565	S	S	.	*	H	α-helix	trans	-68.4	-44.1	177.4	-69.8	165.8	0	0	0	110.4	E42 L43 K49 L50	E42-I46 WeakPolarHBondContact O-CB 3.38Å; E42-I46 VanDerWaalsContact O-CG1 3.25Å; E42-I46 WeakPolarHBondContact O-CG1 3.45Å; E42-I46 PolarHBondContact O-N 3.31Å; L43-I46 PolarHBondContact O-N 3.03Å; I46-K49 PolarHBondContact O-N 3.46Å; I46-L50 HydrophobicContact CG2-CD1 4.36Å; I46-L50 WeakPolarHBondContact O-CB 3.32Å; I46-L50 PolarHBondContact O-N 3.35Å
47	L	73.1	Confident	68	Low	103 Å²	103	113 Å²	113	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-62.3	-44.6	175.2	-77.2	166.5	0	0	0	111.5	L43 K49 L50 E51	L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.43Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.09Å; L47-L50 WeakPolarHBondContact O-CB 3.22Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 PolarHBondContact O-N 3.32Å
48	A	75.1	Confident	69.3	Low	56 Å²	56	111 Å²	111	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-36	175.3	0	0	0	0	0	112.6	S44 R52	S44-A48 VanDerWaalsContact O-CB 3.26Å; S44-A48 WeakPolarHBondContact O-CB 3.34Å; S44-A48 PolarHBondContact O-N 3.43Å; A48-R52 WeakPolarHBondContact O-CB 3.35Å; A48-R52 PolarHBondContact O-N 2.89Å
49	K	74.1	Confident	70.2	Confident	153 Å²	153	107.7 Å²	107.7	67%	0.665	53%	0.532	S	S	*	.	H	α-helix	trans	-68.5	-40.3	172.6	-83.6	-177.9	176.8	179.5	0	112.2	K45 I46 L47 R52 L53	K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 WeakPolarHBondContact O-CG 3.39Å; K45-K49 PolarHBondContact O-N 2.99Å; I46-K49 PolarHBondContact O-N 3.46Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.09Å; K49-R52 PolarHBondContact O-N 3.4Å; K49-L53 WeakPolarHBondContact O-CB 3.35Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.24Å
50	L	72.9	Confident	70.8	Confident	105 Å²	105	109 Å²	109	55%	0.55	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-41.8	177.1	-108.3	159.3	0	0	0	111.7	I46 L47 L53 K54	I46-L50 HydrophobicContact CG2-CD1 4.36Å; I46-L50 WeakPolarHBondContact O-CB 3.32Å; I46-L50 PolarHBondContact O-N 3.35Å; L47-L50 WeakPolarHBondContact O-CB 3.22Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L50-L53 PolarHBondContact O-N 2.93Å; L50-K54 WeakPolarHBondContact O-CB 3.22Å; L50-K54 PolarHBondContact O-N 3.1Å
51	E	75.1	Confident	71.4	Confident	137 Å²	137	114.5 Å²	114.5	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-68.2	-41.2	178	-160.9	157.8	-148.1	0	0	111.2	L47 L53 K54 Q55	L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 PolarHBondContact O-N 3.32Å; E51-L53 PolarHBondContact O-N 3.08Å; E51-K54 PolarHBondContact O-N 3.24Å; E51-Q55 WeakPolarHBondContact O-CB 3.31Å; E51-Q55 PolarHBondContact O-N 2.77Å
52	R	76.1	Confident	71.9	Confident	184 Å²	184	113.7 Å²	113.7	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-62.7	-39.5	172.6	-168.3	172.9	-175.9	170	0.8	112.6	A48 K49 Q55 Q56	A48-R52 WeakPolarHBondContact O-CB 3.35Å; A48-R52 PolarHBondContact O-N 2.89Å; K49-R52 PolarHBondContact O-N 3.4Å; R52-Q55 PolarHBondContact O-N 3.5Å; R52-Q56 WeakPolarHBondContact O-CG 3.46Å; R52-Q56 PolarHBondContact O-N 2.89Å
53	L	70.4	Confident	72	Confident	104 Å²	104	114.7 Å²	114.7	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-40.5	175.2	-80.3	167.6	0	0	0	111.9	K49 L50 E51 Q55 Q56 N57	K49-L53 WeakPolarHBondContact O-CB 3.35Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.24Å; L50-L53 PolarHBondContact O-N 2.93Å; E51-L53 PolarHBondContact O-N 3.08Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.09Å; L53-Q56 PolarHBondContact O-N 3.43Å; L53-N57 WeakPolarHBondContact O-CB 3.36Å; L53-N57 PolarHBondContact O-N 3.3Å
54	K	78.6	Confident	72	Confident	137 Å²	137	112.5 Å²	112.5	60%	0.596	55%	0.545	S	S	*	.	H	α-helix	trans	-61.4	-43.4	175.2	-170.8	-175.4	179.1	-168.1	0	110.8	L50 E51 N57 E58	L50-K54 WeakPolarHBondContact O-CB 3.22Å; L50-K54 PolarHBondContact O-N 3.1Å; E51-K54 PolarHBondContact O-N 3.24Å; K54-N57 WeakPolarHBondContact O-CB 3.2Å; K54-N57 PolarHBondContact O-N 3.42Å; K54-E58 PolarHBondContact O-N 3.17Å
55	Q	78.3	Confident	71.7	Confident	120 Å²	120	116.1 Å²	116.1	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-40	178.9	-162.6	147.1	4.6	0	0	112.3	E51 R52 L53 N57 E58 D59	E51-Q55 WeakPolarHBondContact O-CB 3.31Å; E51-Q55 PolarHBondContact O-N 2.77Å; R52-Q55 PolarHBondContact O-N 3.5Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.09Å; Q55-N57 VanDerWaalsContact C-N 3.27Å; Q55-N57 PolarHBondContact O-N 3.03Å; Q55-E58 PolarHBondContact O-N 3.17Å; Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 2.89Å
56	Q	74.3	Confident	71.1	Confident	103 Å²	103	114.8 Å²	114.8	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-61.8	-34.9	171.2	-76.5	-179.3	-41.6	0	0	112.8	R52 L53 L60	R52-Q56 WeakPolarHBondContact O-CG 3.46Å; R52-Q56 PolarHBondContact O-N 2.89Å; L53-Q56 PolarHBondContact O-N 3.43Å; Q56-L60 WeakPolarHBondContact O-CB 3.33Å; Q56-L60 WeakPolarHBondContact O-CG 3.46Å; Q56-L60 PolarHBondContact O-N 2.88Å
57	N	73.8	Confident	70.3	Confident	101 Å²	101	117 Å²	117	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-73.9	-36.2	178.5	-140.5	-16.1	0	0	0	112	L53 K54 Q55 R61	L53-N57 WeakPolarHBondContact O-CB 3.36Å; L53-N57 PolarHBondContact O-N 3.3Å; K54-N57 WeakPolarHBondContact O-CB 3.2Å; K54-N57 PolarHBondContact O-N 3.42Å; Q55-N57 VanDerWaalsContact C-N 3.27Å; Q55-N57 PolarHBondContact O-N 3.03Å; N57-R61 WeakPolarHBondContact O-CG 3.21Å; N57-R61 PolarHBondContact O-N 2.92Å
58	E	75.8	Confident	69	Low	88 Å²	88	122.4 Å²	122.4	41%	0.411	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-39.8	172	-76.9	178.6	-171.6	0	0	111.9	K54 Q55 R61 R62	K54-E58 PolarHBondContact O-N 3.17Å; Q55-E58 PolarHBondContact O-N 3.17Å; E58-R61 PolarHBondContact O-N 3.4Å; E58-R62 WeakPolarHBondContact O-CG 3.36Å; E58-R62 PolarHBondContact O-N 3.25Å
59	D	70.5	Confident	67.8	Low	70 Å²	70	126.7 Å²	126.7	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-38.4	174.8	-79.9	-16.3	0	0	0	112.1	Q55 R62 M63	Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 2.89Å; D59-R62 PolarHBondContact O-N 3.02Å; D59-M63 HydrophobicContact CB-CE 4.49Å; D59-M63 WeakPolarHBondContact O-CG 3.44Å; D59-M63 PolarHBondContact O-N 3.45Å
60	L	67.9	Low	66.3	Low	109 Å²	109	125 Å²	125	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-64.2	-39.4	172.3	-81.5	165.7	0	0	0	112	Q56 M63 A64	Q56-L60 WeakPolarHBondContact O-CB 3.33Å; Q56-L60 WeakPolarHBondContact O-CG 3.46Å; Q56-L60 PolarHBondContact O-N 2.88Å; L60-M63 PolarHBondContact O-N 3.46Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.37Å
61	R	68.6	Low	65	Low	180 Å²	180	128.6 Å²	128.6	68%	0.679	62%	0.624	S	S	*	*	H	α-helix	trans	-65	-41.6	173.7	-81.5	-178.5	173.4	179.4	-2.2	112	N57 E58 A64 E65	N57-R61 WeakPolarHBondContact O-CG 3.21Å; N57-R61 PolarHBondContact O-N 2.92Å; E58-R61 PolarHBondContact O-N 3.4Å; R61-A64 PolarHBondContact O-N 2.85Å; R61-E65 PolarHBondContact O-N 3.37Å
62	R	70.3	Confident	63.4	Low	162 Å²	162	124.7 Å²	124.7	61%	0.611	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-39.4	174.6	-75.1	178.6	178.2	175.9	1.1	112.2	E58 D59 E65 S66	E58-R62 WeakPolarHBondContact O-CG 3.36Å; E58-R62 PolarHBondContact O-N 3.25Å; D59-R62 PolarHBondContact O-N 3.02Å; R62-E65 PolarHBondContact O-N 3.03Å; R62-S66 WeakPolarHBondContact O-CB 3.46Å; R62-S66 PolarHBondContact O-N 3.35Å; R62-S66 PolarHBondContact O-OG 2.93Å
63	M	64.8	Low	61.8	Low	110 Å²	110	122.5 Å²	122.5	54%	0.542	63%	0.63	S	S	.	*	H	α-helix	trans	-63.7	-41.9	172.5	-76.3	-172.6	-128.2	0	0	111.4	D59 L60 E65 S66 L67	D59-M63 HydrophobicContact CB-CE 4.49Å; D59-M63 WeakPolarHBondContact O-CG 3.44Å; D59-M63 PolarHBondContact O-N 3.45Å; L60-M63 PolarHBondContact O-N 3.46Å; M63-E65 PolarHBondContact O-N 3.49Å; M63-S66 WeakPolarHBondContact CA-OG 3.28Å; M63-S66 PolarHBondContact O-N 3.02Å; M63-S66 PolarHBondContact O-OG 3.3Å; M63-L67 WeakPolarHBondContact O-CD1 3.26Å; M63-L67 WeakPolarHBondContact O-CG 3.37Å; M63-L67 PolarHBondContact O-N 3.22Å
64	A	63.2	Low	60.7	Low	65 Å²	65	125.2 Å²	125.2	54%	0.537	64%	0.644	S	S	.	*	H	α-helix	trans	-64.7	-36.7	175.6	0	0	0	0	0	112.7	L60 R61 L67	L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.37Å; R61-A64 PolarHBondContact O-N 2.85Å; A64-L67 PolarHBondContact O-N 3.44Å
65	E	61.7	Low	58.6	Low	138 Å²	138	126.3 Å²	126.3	65%	0.645	66%	0.656	S	S	*	*	H	α-helix	trans	-71.3	-34.9	174.1	-77.2	176.4	164.6	0	0	112.4	R61 R62 M63 L67 R68	R61-E65 PolarHBondContact O-N 3.37Å; R62-E65 PolarHBondContact O-N 3.03Å; M63-E65 PolarHBondContact O-N 3.49Å; E65-L67 PolarHBondContact O-N 3.15Å; E65-R68 VanDerWaalsContact O-CB 3.28Å; E65-R68 WeakPolarHBondContact O-CB 3.24Å; E65-R68 PolarHBondContact O-N 2.7Å
66	S	56.9	Low	57.1	Low	97 Å²	97	129.6 Å²	129.6	68%	0.678	67%	0.671	S	S	*	*	H	α-helix	trans	-69.2	-16.4	175	75	0	0	0	0	113.8	R62 M63 R68	R62-S66 WeakPolarHBondContact O-CB 3.46Å; R62-S66 PolarHBondContact O-N 3.35Å; R62-S66 PolarHBondContact O-OG 2.93Å; M63-S66 WeakPolarHBondContact CA-OG 3.28Å; M63-S66 PolarHBondContact O-N 3.02Å; M63-S66 PolarHBondContact O-OG 3.3Å; S66-R68 VanDerWaalsContact C-N 3.35Å
67	L	54.2	Low	55.7	Low	135 Å²	135	127.8 Å²	127.8	71%	0.707	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	4.3	175.7	-74.1	163.5	0	0	0	112.9	M63 A64 E65 I69	M63-L67 WeakPolarHBondContact O-CD1 3.26Å; M63-L67 WeakPolarHBondContact O-CG 3.37Å; M63-L67 PolarHBondContact O-N 3.22Å; A64-L67 PolarHBondContact O-N 3.44Å; E65-L67 PolarHBondContact O-N 3.15Å; L67-I69 PolarHBondContact O-N 3.45Å
68	R	46.8	Very low	54.4	Low	216 Å²	216	129 Å²	129	82%	0.815	69%	0.693	S	S	*	*			trans	-77.7	89.8	176.4	-147.4	174.5	-176.6	178	-0.1	109.5	E65 S66	E65-R68 VanDerWaalsContact O-CB 3.28Å; E65-R68 WeakPolarHBondContact O-CB 3.24Å; E65-R68 PolarHBondContact O-N 2.7Å; S66-R68 VanDerWaalsContact C-N 3.35Å
69	I	50	Low	53.2	Low	147 Å²	147	127.9 Å²	127.9	75%	0.754	70%	0.699	S	S	*	*			trans	-56.3	130.9	173.8	-60.5	167.9	0	0	0	108.7	L67 D71	L67-I69 PolarHBondContact O-N 3.45Å; I69-D71 PolarHBondContact O-N 2.76Å
70	P	43	Very low	52.4	Low	117 Å²	117	128.4 Å²	128.4	76%	0.76	71%	0.714	S	S	*	*			trans	-65.5	133.4	173.7	-14.4	27.7	0	0	0	110.5	G72	P70-G72 PolarHBondContact O-N 3.19Å
71	D	44.3	Very low	51.8	Low	181 Å²	181	126 Å²	126	97%	0.968	72%	0.715	S	S	*	*			trans	-60.6	104.1	175.2	-73.9	-44.4	0	0	0	110.6	I69	I69-D71 PolarHBondContact O-N 2.76Å
72	G	41.5	Very low	51.1	Low	55 Å²	55	125 Å²	125	57%	0.567	72%	0.716	S	S	*	*			trans	-140.9	152.6	171.8	0	0	0	0	0	109.6	P70	P70-G72 PolarHBondContact O-N 3.19Å
73	P	42.4	Very low	50.8	Low	137 Å²	137	121 Å²	121	89%	0.89	71%	0.709	S	S	*	*			trans	-70.5	139.6	-157.8	23.2	-24.7	0	0	0	113
74	I	47.6	Very low	50.8	Low	162 Å²	162	121.8 Å²	121.8	83%	0.831	71%	0.711	S	S	*	*			trans	-69.2	124	-172.4	-61.4	165.1	0	0	0	110.5
75	D	35.6	Very low	51	Low	159 Å²	159	121 Å²	121	85%	0.85	71%	0.705	S	S	*	*			trans	-110.2	142	162.4	-151	-0.4	0	0	0	110.1
76	Q	45.9	Very low	51.3	Low	189 Å²	189	119.6 Å²	119.6	88%	0.883	70%	0.701	S	S	*	*			trans	-85.8	125	-158.2	-67.7	-179.6	1.2	0	0	114.2
77	G	44.2	Very low	52	Low	65 Å²	65	120.3 Å²	120.3	67%	0.67	69%	0.694	S	S	*	*	S	Bend	trans	105.6	157.6	165	0	0	0	0	0	115.1
78	P	47.5	Very low	53	Low	126 Å²	126	118.8 Å²	118.8	82%	0.818	68%	0.683	S	S	*	*	S	Bend	cis	-102.7	57.6	-21.5	38.1	-24.5	0	0	0	110.8
79	A	49.8	Very low	54.3	Low	65 Å²	65	114.7 Å²	114.7	54%	0.537	67%	0.673	S	S	.	*			trans	-79.6	-25.7	-173.9	0	0	0	0	0	114.2	G81 K82 V83	A79-G81 PolarHBondContact O-N 3.22Å; A79-K82 PolarHBondContact O-N 3.47Å; A79-V83 WeakPolarHBondContact O-CG2 3.47Å; A79-V83 PolarHBondContact O-N 2.87Å; A79-V83 VanDerWaalsContact O-N 3.16Å
80	A	54.4	Low	55.3	Low	82 Å²	82	112.5 Å²	112.5	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-63.8	-37.2	-171.9	0	0	0	0	0	114.1	V83 H84	A80-V83 PolarHBondContact O-N 3Å; A80-H84 PolarHBondContact O-N 3.07Å
81	G	55.2	Low	57	Low	58 Å²	58	112.4 Å²	112.4	60%	0.598	66%	0.655	S	S	*	*	H	α-helix	trans	-70.4	-32.4	179.9	0	0	0	0	0	113.8	A79 A85	A79-G81 PolarHBondContact O-N 3.22Å; G81-A85 PolarHBondContact O-N 3.15Å
82	K	55	Low	58.5	Low	160 Å²	160	109 Å²	109	70%	0.696	63%	0.632	S	S	*	*	H	α-helix	trans	-74.5	-37.4	174.9	-78.8	-177.8	176.5	178.7	0	111.7	A79 A85 L86	A79-K82 PolarHBondContact O-N 3.47Å; K82-A85 PolarHBondContact O-N 3.09Å; K82-L86 WeakPolarHBondContact O-CB 3.5Å; K82-L86 WeakPolarHBondContact O-CD1 3.48Å; K82-L86 WeakPolarHBondContact O-CG 3.49Å; K82-L86 PolarHBondContact O-N 2.87Å
83	V	62	Low	60	Low	77 Å²	77	108.3 Å²	108.3	47%	0.467	62%	0.62	S	S	.	*	H	α-helix	trans	-63.4	-43.9	176	174.6	0	0	0	0	110.5	A79 A80 A85 L86 E87	A79-V83 WeakPolarHBondContact O-CG2 3.47Å; A79-V83 PolarHBondContact O-N 2.87Å; A79-V83 VanDerWaalsContact O-N 3.16Å; A80-V83 PolarHBondContact O-N 3Å; V83-A85 PolarHBondContact O-N 2.91Å; V83-L86 PolarHBondContact O-N 3.35Å; V83-E87 WeakPolarHBondContact O-CG 3.06Å; V83-E87 PolarHBondContact O-N 2.86Å
84	H	66.6	Low	61.5	Low	127 Å²	127	107.9 Å²	107.9	59%	0.588	60%	0.604	S	S	*	*	H	α-helix	trans	-67	-36.8	179.1	-155.1	-60.4	0	0	0	113.1	A80 E87 E88	A80-H84 PolarHBondContact O-N 3.07Å; H84-E87 PolarHBondContact O-N 3.38Å; H84-E88 PolarHBondContact O-N 3.24Å; H84-E88 VanDerWaalsContact O-N 3.1Å
85	A	66.1	Low	62.7	Low	49 Å²	49	105.8 Å²	105.8	41%	0.405	59%	0.591	S	S	.	*	H	α-helix	trans	-68.4	-36.4	174.2	0	0	0	0	0	112.3	G81 K82 V83 Q89	G81-A85 PolarHBondContact O-N 3.15Å; K82-A85 PolarHBondContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 2.91Å; A85-Q89 WeakPolarHBondContact O-CG 3.25Å; A85-Q89 PolarHBondContact O-N 2.87Å; A85-Q89 VanDerWaalsContact O-N 3.08Å
86	L	69.1	Low	64.2	Low	108 Å²	108	104.6 Å²	104.6	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-69.8	-36.8	174.8	-83.6	157.8	0	0	0	112	K82 V83 Q89 L90	K82-L86 WeakPolarHBondContact O-CB 3.5Å; K82-L86 WeakPolarHBondContact O-CD1 3.48Å; K82-L86 WeakPolarHBondContact O-CG 3.49Å; K82-L86 PolarHBondContact O-N 2.87Å; V83-L86 PolarHBondContact O-N 3.35Å; L86-Q89 PolarHBondContact O-N 3.15Å; L86-L90 VanDerWaalsContact O-CB 3.29Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 3.11Å
87	E	71.3	Confident	65.1	Low	111 Å²	111	100.3 Å²	100.3	52%	0.519	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-42.8	173.6	-78.5	178.4	166.6	0	0	111.8	V83 H84 L90 L91	V83-E87 WeakPolarHBondContact O-CG 3.06Å; V83-E87 PolarHBondContact O-N 2.86Å; H84-E87 PolarHBondContact O-N 3.38Å; E87-L90 PolarHBondContact O-N 3.44Å; E87-L91 PolarHBondContact O-N 3.17Å
88	E	74.9	Confident	66.1	Low	103 Å²	103	103.8 Å²	103.8	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-40.2	177.3	-159.5	-166.9	143.7	0	0	111.9	H84 L91 K92	H84-E88 PolarHBondContact O-N 3.24Å; H84-E88 VanDerWaalsContact O-N 3.1Å; E88-L91 PolarHBondContact O-N 3.12Å; E88-K92 PolarHBondContact O-N 3.27Å; E88-K92 IonicContact OE1-NZ 2.95Å; E88-K92 PolarHBondContact OE1-NZ 3.23Å
89	Q	73.6	Confident	66.7	Low	130 Å²	130	102 Å²	102	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-66.4	-38.1	174.2	-75.4	-178.2	-5.4	0	0	112.3	A85 L86 L91 K92 A93	A85-Q89 WeakPolarHBondContact O-CG 3.25Å; A85-Q89 PolarHBondContact O-N 2.87Å; A85-Q89 VanDerWaalsContact O-N 3.08Å; L86-Q89 PolarHBondContact O-N 3.15Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; Q89-K92 PolarHBondContact O-N 2.86Å; Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.34Å; Q89-A93 PolarHBondContact O-N 3.25Å
90	L	71.5	Confident	66.9	Low	101 Å²	101	106.7 Å²	106.7	53%	0.529	55%	0.55	S	S	.	.	H	α-helix	trans	-66.3	-37.7	175.6	-168.3	83.2	0	0	0	111.3	L86 E87 A93 K94	L86-L90 VanDerWaalsContact O-CB 3.29Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 3.11Å; E87-L90 PolarHBondContact O-N 3.44Å; L90-A93 PolarHBondContact O-N 3.43Å; L90-K94 WeakPolarHBondContact O-CB 3.26Å; L90-K94 WeakPolarHBondContact O-CG 3.44Å; L90-K94 PolarHBondContact O-N 3.05Å
91	L	79.2	Confident	66.8	Low	115 Å²	115	109.8 Å²	109.8	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-64.9	-48.4	176.6	-138.3	104	0	0	0	110.9	E87 E88 Q89 A93 K94 E95	E87-L91 PolarHBondContact O-N 3.17Å; E88-L91 PolarHBondContact O-N 3.12Å; Q89-L91 VanDerWaalsContact C-N 3.34Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.19Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 PolarHBondContact O-N 3.14Å; L91-E95 PolarHBondContact O-N 2.81Å
92	K	75.4	Confident	66.7	Low	111 Å²	111	114.4 Å²	114.4	48%	0.483	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-41.7	175.2	-78.8	170.8	171.8	158.6	0	112.2	E88 Q89 E95 Q96	E88-K92 PolarHBondContact O-N 3.27Å; E88-K92 IonicContact OE1-NZ 2.95Å; E88-K92 PolarHBondContact OE1-NZ 3.23Å; Q89-K92 PolarHBondContact O-N 2.86Å; K92-E95 PolarHBondContact O-N 2.94Å; K92-Q96 WeakPolarHBondContact O-CB 3.32Å; K92-Q96 VanDerWaalsContact O-CG 3.3Å; K92-Q96 WeakPolarHBondContact O-CG 3.44Å; K92-Q96 PolarHBondContact O-N 2.88Å
93	A	72.1	Confident	66.6	Low	39 Å²	39	115.5 Å²	115.5	32%	0.322	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-37.4	176.2	0	0	0	0	0	112.1	Q89 L90 L91 Q96 I97	Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.34Å; Q89-A93 PolarHBondContact O-N 3.25Å; L90-A93 PolarHBondContact O-N 3.43Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.19Å; A93-Q96 PolarHBondContact O-N 3.44Å; A93-I97 WeakPolarHBondContact O-CB 3.42Å; A93-I97 WeakPolarHBondContact O-CD1 3.46Å; A93-I97 WeakPolarHBondContact O-CG1 3.28Å; A93-I97 PolarHBondContact O-N 3.44Å
94	K	74.3	Confident	65.9	Low	129 Å²	129	117.3 Å²	117.3	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-44	174.5	-81.7	178.9	176.8	179.4	0	112.2	L90 L91 Q96 I97 E98	L90-K94 WeakPolarHBondContact O-CB 3.26Å; L90-K94 WeakPolarHBondContact O-CG 3.44Å; L90-K94 PolarHBondContact O-N 3.05Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 PolarHBondContact O-N 3.14Å; K94-Q96 VanDerWaalsContact C-N 3.34Å; K94-Q96 PolarHBondContact O-N 3.48Å; K94-I97 PolarHBondContact O-N 3.43Å; K94-E98 PolarHBondContact O-N 3.34Å
95	E	73.6	Confident	64.9	Low	118 Å²	118	113.9 Å²	113.9	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-61.1	-42.5	174	-80.4	-177.2	150.7	0	0	111.8	L91 K92 I97 E98 N99	L91-E95 PolarHBondContact O-N 2.81Å; K92-E95 PolarHBondContact O-N 2.94Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 3.36Å; E95-E98 PolarHBondContact O-N 3.07Å; E95-N99 WeakPolarHBondContact O-CB 2.98Å; E95-N99 PolarHBondContact O-N 3.34Å
96	Q	67.3	Low	64	Low	133 Å²	133	119 Å²	119	62%	0.621	58%	0.583	S	S	*	*	H	α-helix	trans	-63	-39.2	175.8	-75.7	179.5	-8.4	0	0	112.3	K92 A93 K94 Y100	K92-Q96 WeakPolarHBondContact O-CB 3.32Å; K92-Q96 VanDerWaalsContact O-CG 3.3Å; K92-Q96 WeakPolarHBondContact O-CG 3.44Å; K92-Q96 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 3.44Å; K94-Q96 VanDerWaalsContact C-N 3.34Å; K94-Q96 PolarHBondContact O-N 3.48Å; Q96-Y100 WeakPolarHBondContact O-CB 3.47Å; Q96-Y100 PolarHBondContact O-N 2.97Å
97	I	64.8	Low	63.4	Low	100 Å²	100	118.3 Å²	118.3	51%	0.513	60%	0.601	S	S	.	*	H	α-helix	trans	-70.2	-39.2	176.6	-70.4	166.1	0	0	0	111.2	A93 K94 E95 Y100 K101	A93-I97 WeakPolarHBondContact O-CB 3.42Å; A93-I97 WeakPolarHBondContact O-CD1 3.46Å; A93-I97 WeakPolarHBondContact O-CG1 3.28Å; A93-I97 PolarHBondContact O-N 3.44Å; K94-I97 PolarHBondContact O-N 3.43Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 3.36Å; I97-Y100 PolarHBondContact O-N 2.89Å; I97-K101 WeakPolarHBondContact O-CB 3.19Å; I97-K101 PolarHBondContact O-N 2.63Å
98	E	64.7	Low	63.1	Low	138 Å²	138	115.7 Å²	115.7	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-65.3	-40.7	173.7	-81.2	-161.6	155.6	0	0	112.1	K94 E95 Y100 K101 K102	K94-E98 PolarHBondContact O-N 3.34Å; E95-E98 PolarHBondContact O-N 3.07Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 2.93Å; E98-K101 PolarHBondContact O-N 3.25Å; E98-K102 PolarHBondContact O-N 3.48Å
99	N	60.6	Low	63.5	Low	89 Å²	89	117.1 Å²	117.1	48%	0.476	61%	0.614	S	S	.	*	H	α-helix	trans	-64.4	-37.4	173.1	-88.1	-14	0	0	0	112.2	E95 K102 R103	E95-N99 WeakPolarHBondContact O-CB 2.98Å; E95-N99 PolarHBondContact O-N 3.34Å; N99-K102 PolarHBondContact O-N 3.03Å; N99-R103 PolarHBondContact O-N 2.94Å; N99-R103 VanDerWaalsContact O-N 3.07Å
100	Y	53.3	Low	64.4	Low	162 Å²	162	112.1 Å²	112.1	64%	0.635	60%	0.597	S	S	*	*	H	α-helix	trans	-67.4	-38	173.2	-113.1	-86.5	0	0	0	112.7	Q96 I97 E98 R103 T104	Q96-Y100 WeakPolarHBondContact O-CB 3.47Å; Q96-Y100 PolarHBondContact O-N 2.97Å; I97-Y100 PolarHBondContact O-N 2.89Å; E98-Y100 VanDerWaalsContact C-N 3.33Å; E98-Y100 PolarHBondContact O-N 2.93Å; Y100-R103 PolarHBondContact O-N 3.43Å; Y100-T104 PolarHBondContact O-N 3.05Å; Y100-T104 PolarHBondContact O-OG1 3.08Å
101	K	52.1	Low	65.5	Low	148 Å²	148	114.8 Å²	114.8	64%	0.643	61%	0.605	S	S	*	*	H	α-helix	trans	-65.5	-40.5	173.3	-82.4	-178.3	173.9	-179.8	0	112	I97 E98 R103 T104 G105	I97-K101 WeakPolarHBondContact O-CB 3.19Å; I97-K101 PolarHBondContact O-N 2.63Å; E98-K101 PolarHBondContact O-N 3.25Å; K101-R103 VanDerWaalsContact C-N 3.32Å; K101-R103 PolarHBondContact O-N 3Å; K101-T104 PolarHBondContact O-N 2.81Å; K101-T104 PolarHBondContact O-OG1 3.39Å; K101-G105 PolarHBondContact O-N 3.49Å
102	K	54.2	Low	66.2	Low	155 Å²	155	113.1 Å²	113.1	67%	0.674	60%	0.596	S	S	*	*	H	α-helix	trans	-61.6	-36.8	172.9	-89.4	-176.1	174	-178.7	0	112.7	E98 N99 T104	E98-K102 PolarHBondContact O-N 3.48Å; N99-K102 PolarHBondContact O-N 3.03Å; K102-T104 VanDerWaalsContact C-N 3.28Å; K102-T104 PolarHBondContact O-N 2.84Å
103	R	51.3	Low	67.2	Low	182 Å²	182	110.8 Å²	110.8	69%	0.687	59%	0.587	S	S	*	*	H	α-helix	trans	-72.4	-15.4	176.6	-78.5	-176.5	174.9	178.1	1.5	114.6	N99 Y100 K101	N99-R103 PolarHBondContact O-N 2.94Å; N99-R103 VanDerWaalsContact O-N 3.07Å; Y100-R103 PolarHBondContact O-N 3.43Å; K101-R103 VanDerWaalsContact C-N 3.32Å; K101-R103 PolarHBondContact O-N 3Å
104	T	47.8	Very low	68.4	Low	115 Å²	115	110.6 Å²	110.6	71%	0.706	58%	0.579	S	S	*	*	H	α-helix	trans	-118.4	4.5	-172.3	48.9	0	0	0	0	114.7	Y100 K101 K102	Y100-T104 PolarHBondContact O-N 3.05Å; Y100-T104 PolarHBondContact O-OG1 3.08Å; K101-T104 PolarHBondContact O-N 2.81Å; K101-T104 PolarHBondContact O-OG1 3.39Å; K102-T104 VanDerWaalsContact C-N 3.28Å; K102-T104 PolarHBondContact O-N 2.84Å
105	G	46	Very low	69.5	Low	56 Å²	56	107.2 Å²	107.2	58%	0.577	57%	0.567	S	S	*	*	S	Bend	trans	-151.6	82.4	178.1	0	0	0	0	0	113.1	K101	K101-G105 PolarHBondContact O-N 3.49Å
106	D	47	Very low	70.7	Confident	157 Å²	157	102.4 Å²	102.4	84%	0.84	55%	0.545	S	S	*	.				170.4	134.2	118.9	-141.4	-8.2	0	0	0	107.6	G108	D106-G108 PolarHBondContact O-N 3.07Å
107	G	55.9	Low	72.2	Confident	93 Å²	93	100.5 Å²	100.5	96%	0.959	53%	0.532	S	S	*	.	S	Bend	trans	-71.7	21.8	-179.9	0	0	0	0	0	114.5
108	G	65.4	Low	73.8	Confident	55 Å²	55	101.5 Å²	101.5	57%	0.567	53%	0.529	S	S	*	.	S	Bend	trans	-103.7	161.5	-173.9	0	0	0	0	0	113.6	D106	D106-G108 PolarHBondContact O-N 3.07Å
109	L	84.2	Confident	75.4	Confident	134 Å²	134	101 Å²	101	70%	0.702	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-65.4	141.3	171.2	-68.3	167.3	0	0	0	110.5	E114	L109-E114 HydrophobicContact CB-CG 4.05Å; L109-E114 HydrophobicContact CD1-CG 4.45Å
110	G	91.5	Very high	77.2	Confident	24 Å²	24	98 Å²	98	25%	0.247	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-57.9	137	178.8	0	0	0	0	0	112.5	D112 H113 E114	G110-D112 VanDerWaalsContact C-N 3.35Å; G110-D112 PolarHBondContact O-N 3.45Å; G110-H113 PolarHBondContact O-N 3.47Å; G110-E114 PolarHBondContact O-N 3.27Å; G110-E114 VanDerWaalsContact O-N 3.14Å
111	K	94.5	Very high	79.3	Confident	158 Å²	158	94.2 Å²	94.2	69%	0.687	49%	0.493	S	S	*	.	H	α-helix	trans	-59.7	-46.1	-177.1	177.9	-175.7	172.3	-172.5	0	111.5	E114 I115	K111-E114 PolarHBondContact O-N 3.49Å; K111-I115 HydrophobicContact CD-CD1 4.48Å; K111-I115 HydrophobicContact CG-CD1 3.88Å; K111-I115 WeakPolarHBondContact O-CG1 3.31Å; K111-I115 PolarHBondContact O-N 2.93Å
112	D	94.8	Very high	81.6	Confident	79 Å²	79	91.3 Å²	91.3	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-71.3	-38.7	-175	-67.2	-27.3	0	0	0	111	G110 E114 I115 L116 T174	G110-D112 VanDerWaalsContact C-N 3.35Å; G110-D112 PolarHBondContact O-N 3.45Å; D112-E114 PolarHBondContact O-N 3.47Å; D112-I115 PolarHBondContact O-N 3.32Å; D112-L116 WeakPolarHBondContact O-CB 3.33Å; D112-L116 WeakPolarHBondContact O-CG 3.22Å; D112-L116 PolarHBondContact O-N 2.92Å; D112-T174 VanDerWaalsContact CB-OG1 3.26Å; D112-T174 WeakPolarHBondContact CB-OG1 3.3Å
113	H	96.2	Very high	83.7	Confident	63 Å²	63	85 Å²	85	29%	0.292	46%	0.463	S	S	.	.	H	α-helix	trans	-52	-52.3	168.3	175.7	-81.4	0	0	0	112	G110 I115 L116 R117 L171 T174 D175	G110-H113 PolarHBondContact O-N 3.47Å; H113-I115 PolarHBondContact O-N 3Å; H113-L116 PolarHBondContact O-N 3.45Å; H113-R117 VanDerWaalsContact O-CB 3.31Å; H113-R117 WeakPolarHBondContact O-CB 3.43Å; H113-R117 PolarHBondContact O-N 2.91Å; H113-L171 HydrophobicContact CB-CD1 4.39Å; H113-T174 HydrophobicContact CB-CG2 3.92Å; H113-D175 WeakPolarHBondContact CB-OD2 3.46Å; H113-D175 PolarHBondContact N-OD2 3.13Å
114	E	97.1	Very high	85.9	Confident	34 Å²	34	78.7 Å²	78.7	16%	0.159	45%	0.45	C	S	.	.	H	α-helix	trans	-68	-33	-177.3	-80.8	-51.2	110.4	0	0	113.6	L109 G110 K111 D112 R117 R118	L109-E114 HydrophobicContact CB-CG 4.05Å; L109-E114 HydrophobicContact CD1-CG 4.45Å; G110-E114 PolarHBondContact O-N 3.27Å; G110-E114 VanDerWaalsContact O-N 3.14Å; K111-E114 PolarHBondContact O-N 3.49Å; D112-E114 PolarHBondContact O-N 3.47Å; E114-R117 IonicContact OE1-NE 3.09Å; E114-R117 PolarHBondContact OE1-NE 3Å; E114-R117 IonicContact OE2-CZ 3.32Å; E114-R117 IonicContact OE2-NE 3.5Å; E114-R117 PolarHBondContact OE2-NE 2.99Å; E114-R117 VanDerWaalsContact OE2-NE 3.09Å; E114-R117 IonicContact OE2-NH2 2.79Å; E114-R117 PolarHBondContact OE2-NH2 3.17Å; E114-R118 WeakPolarHBondContact O-CG 3.47Å; E114-R118 PolarHBondContact O-N 2.78Å; E114-R118 PolarHBondContact O-NE 3.35Å; E114-R118 PolarHBondContact O-NH1 2.86Å; E114-R118 PolarHBondContact O-NH2 3.25Å; E114-R118 IonicContact OE2-NH1 2.7Å; E114-R118 PolarHBondContact OE2-NH1 3.44Å
115	I	97.8	Very high	88.3	Confident	59 Å²	59	77.7 Å²	77.7	30%	0.303	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-49.4	173.7	-70.8	169.7	0	0	0	110.4	K111 D112 H113 R118 R119	K111-I115 HydrophobicContact CD-CD1 4.48Å; K111-I115 HydrophobicContact CG-CD1 3.88Å; K111-I115 WeakPolarHBondContact O-CG1 3.31Å; K111-I115 PolarHBondContact O-N 2.93Å; D112-I115 PolarHBondContact O-N 3.32Å; H113-I115 PolarHBondContact O-N 3Å; I115-R118 PolarHBondContact O-N 3.31Å; I115-R119 WeakPolarHBondContact O-CB 3.38Å; I115-R119 PolarHBondContact O-N 2.87Å
116	L	98.1	Very high	90.8	Very high	17 Å²	17	79.7 Å²	79.7	9%	0.089	43%	0.431	C	S	.	.	H	α-helix	trans	-63.6	-45.1	-179.2	-72.6	166	0	0	0	111.2	D112 H113 R118 R119 I120 D167 L171 T174	D112-L116 WeakPolarHBondContact O-CB 3.33Å; D112-L116 WeakPolarHBondContact O-CG 3.22Å; D112-L116 PolarHBondContact O-N 2.92Å; H113-L116 PolarHBondContact O-N 3.45Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.4Å; L116-R119 PolarHBondContact O-N 2.87Å; L116-R119 VanDerWaalsContact O-N 3.1Å; L116-I120 WeakPolarHBondContact O-CD1 3.42Å; L116-I120 VanDerWaalsContact O-CG1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.05Å; L116-D167 HydrophobicContact CD2-CB 4.34Å; L116-L171 HydrophobicContact CB-CB 4.3Å; L116-L171 HydrophobicContact CB-CD1 4.05Å; L116-T174 HydrophobicContact CD1-CG2 4.29Å
117	R	98.3	Very high	93.3	Very high	93 Å²	93	74 Å²	74	35%	0.351	40%	0.4	S	S	.	.	H	α-helix	trans	-54.2	-48.1	175.8	-171.9	-166.7	64.9	70	-3	112	H113 E114 E121	H113-R117 VanDerWaalsContact O-CB 3.31Å; H113-R117 WeakPolarHBondContact O-CB 3.43Å; H113-R117 PolarHBondContact O-N 2.91Å; E114-R117 IonicContact OE1-NE 3.09Å; E114-R117 PolarHBondContact OE1-NE 3Å; E114-R117 IonicContact OE2-CZ 3.32Å; E114-R117 IonicContact OE2-NE 3.5Å; E114-R117 PolarHBondContact OE2-NE 2.99Å; E114-R117 VanDerWaalsContact OE2-NE 3.09Å; E114-R117 IonicContact OE2-NH2 2.79Å; E114-R117 PolarHBondContact OE2-NH2 3.17Å; R117-E121 IonicContact NH1-OE2 3.48Å; R117-E121 PolarHBondContact NH1-OE2 3.09Å; R117-E121 PolarHBondContact O-N 3.24Å; R117-E121 VanDerWaalsContact O-N 3.08Å
118	R	98.4	Very high	95.3	Very high	120 Å²	120	76.5 Å²	76.5	45%	0.453	38%	0.38	S	S	.	.	H	α-helix	trans	-68.3	-35.5	177.5	-75.5	-173	-67.9	-83.5	-2.4	112.7	E114 I115 L116 E121 N122	E114-R118 WeakPolarHBondContact O-CG 3.47Å; E114-R118 PolarHBondContact O-N 2.78Å; E114-R118 PolarHBondContact O-NE 3.35Å; E114-R118 PolarHBondContact O-NH1 2.86Å; E114-R118 PolarHBondContact O-NH2 3.25Å; E114-R118 IonicContact OE2-NH1 2.7Å; E114-R118 PolarHBondContact OE2-NH1 3.44Å; I115-R118 PolarHBondContact O-N 3.31Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.4Å; R118-E121 PolarHBondContact O-N 3.33Å; R118-N122 WeakPolarHBondContact O-CB 3.33Å; R118-N122 PolarHBondContact O-N 3.47Å
119	R	98.3	Very high	96.8	Very high	127 Å²	127	79.2 Å²	79.2	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-43.3	177.2	-171.7	-173.7	-66.9	161.4	0.7	111.4	I115 L116 N122 G123 D167	I115-R119 WeakPolarHBondContact O-CB 3.38Å; I115-R119 PolarHBondContact O-N 2.87Å; L116-R119 PolarHBondContact O-N 2.87Å; L116-R119 VanDerWaalsContact O-N 3.1Å; R119-N122 PolarHBondContact O-N 3.03Å; R119-G123 PolarHBondContact O-N 3.35Å; R119-D167 VanDerWaalsContact CD-CG 3.48Å; R119-D167 WeakPolarHBondContact CD-OD1 3.42Å; R119-D167 WeakPolarHBondContact CD-OD2 3.4Å; R119-D167 WeakPolarHBondContact CG-OD2 3.45Å; R119-D167 IonicContact NH1-OD1 2.99Å; R119-D167 PolarHBondContact NH1-OD1 3.48Å
120	I	98.7	Very high	97.5	Very high	27 Å²	27	74.7 Å²	74.7	14%	0.138	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-47.8	173.9	-67.7	157.4	0	0	0	110.2	L116 N122 G123 A124 I164 D167 L168 L171	L116-I120 WeakPolarHBondContact O-CD1 3.42Å; L116-I120 VanDerWaalsContact O-CG1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 3.05Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 2.94Å; I120-G123 PolarHBondContact O-N 2.99Å; I120-A124 PolarHBondContact O-N 3.33Å; I120-I164 HydrophobicContact CG2-CG2 4.2Å; I120-D167 HydrophobicContact CD1-CB 4.23Å; I120-D167 HydrophobicContact CG1-CB 3.66Å; I120-L168 HydrophobicContact CD1-CD2 3.8Å; I120-L168 HydrophobicContact CD1-CG 3.97Å; I120-L168 HydrophobicContact CG1-CG 4.33Å; I120-L168 HydrophobicContact CG2-CD2 4.3Å; I120-L168 HydrophobicContact CG2-CG 4.4Å; I120-L171 HydrophobicContact CD1-CB 4.17Å; I120-L171 HydrophobicContact CD1-CD2 3.72Å
121	E	98.6	Very high	97.8	Very high	83 Å²	83	75.6 Å²	75.6	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-44.3	177.3	-171.6	-170.4	156.2	0	0	111.7	R117 R118 K125	R117-E121 IonicContact NH1-OE2 3.48Å; R117-E121 PolarHBondContact NH1-OE2 3.09Å; R117-E121 PolarHBondContact O-N 3.24Å; R117-E121 VanDerWaalsContact O-N 3.08Å; R118-E121 PolarHBondContact O-N 3.33Å; E121-K125 WeakPolarHBondContact O-CG 3.24Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.45Å; E121-K125 IonicContact OE1-NZ 3.69Å; E121-K125 PolarHBondContact OE1-NZ 3.07Å
122	N	98.4	Very high	98	Very high	86 Å²	86	71.6 Å²	71.6	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-42.5	176.6	-166.3	78.5	0	0	0	112.1	R118 R119 I120 A124 K125 E126	R118-N122 WeakPolarHBondContact O-CB 3.33Å; R118-N122 PolarHBondContact O-N 3.47Å; R119-N122 PolarHBondContact O-N 3.03Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 2.94Å; N122-A124 VanDerWaalsContact C-N 3.3Å; N122-A124 PolarHBondContact O-N 3.06Å; N122-K125 WeakPolarHBondContact O-CB 3.42Å; N122-K125 PolarHBondContact O-N 3.35Å; N122-K125 VanDerWaalsContact O-N 3.09Å; N122-E126 WeakPolarHBondContact O-CG 3.33Å; N122-E126 PolarHBondContact O-N 3.5Å
123	G	98.4	Very high	98.1	Very high	22 Å²	22	70.4 Å²	70.4	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-42.3	176.8	0	0	0	0	0	112	R119 I120 K125 E126 L127	R119-G123 PolarHBondContact O-N 3.35Å; I120-G123 PolarHBondContact O-N 2.99Å; G123-K125 PolarHBondContact O-N 2.86Å; G123-E126 PolarHBondContact O-N 3.25Å; G123-L127 VanDerWaalsContact O-CB 3.28Å; G123-L127 WeakPolarHBondContact O-CB 3.34Å; G123-L127 PolarHBondContact O-N 3.02Å
124	A	98.5	Very high	98.1	Very high	50 Å²	50	67.8 Å²	67.8	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-37.1	174.3	0	0	0	0	0	112.9	I120 N122 W128	I120-A124 PolarHBondContact O-N 3.33Å; N122-A124 VanDerWaalsContact C-N 3.3Å; N122-A124 PolarHBondContact O-N 3.06Å; A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.05Å
125	K	98.5	Very high	98.1	Very high	95 Å²	95	70.4 Å²	70.4	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-46.2	174.8	-71.6	170.7	-172.5	168.2	0	111.7	E121 N122 G123 W128 F129	E121-K125 WeakPolarHBondContact O-CG 3.24Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.45Å; E121-K125 IonicContact OE1-NZ 3.69Å; E121-K125 PolarHBondContact OE1-NZ 3.07Å; N122-K125 WeakPolarHBondContact O-CB 3.42Å; N122-K125 PolarHBondContact O-N 3.35Å; N122-K125 VanDerWaalsContact O-N 3.09Å; G123-K125 PolarHBondContact O-N 2.86Å; K125-W128 WeakPolarHBondContact O-CB 3.36Å; K125-W128 PolarHBondContact O-N 3.27Å; K125-F129 HydrophobicContact CB-CE2 4.4Å; K125-F129 WeakPolarHBondContact O-CD2 3.24Å; K125-F129 WeakPolarHBondContact O-CG 3.49Å; K125-F129 PolarHBondContact O-N 2.91Å
126	E	98.4	Very high	98	Very high	98 Å²	98	74.2 Å²	74.2	46%	0.458	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-41.1	177.9	-67.6	-56.3	153.4	0	0	111.8	N122 G123 W128 F129 F130	N122-E126 WeakPolarHBondContact O-CG 3.33Å; N122-E126 PolarHBondContact O-N 3.5Å; G123-E126 PolarHBondContact O-N 3.25Å; E126-W128 VanDerWaalsContact C-N 3.27Å; E126-W128 PolarHBondContact O-N 2.95Å; E126-F129 PolarHBondContact O-N 3.01Å; E126-F130 VanDerWaalsContact O-CB 3.31Å; E126-F130 WeakPolarHBondContact O-CB 3.43Å; E126-F130 PolarHBondContact O-N 3.27Å
127	L	98.2	Very high	97.9	Very high	36 Å²	36	78 Å²	78	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-43.6	171.9	179.4	62.9	0	0	0	110.9	G123 F130 L131 L157 Q160 I164	G123-L127 VanDerWaalsContact O-CB 3.28Å; G123-L127 WeakPolarHBondContact O-CB 3.34Å; G123-L127 PolarHBondContact O-N 3.02Å; L127-F130 PolarHBondContact O-N 3.14Å; L127-L131 HydrophobicContact CD1-CD1 4.5Å; L127-L131 HydrophobicContact CD1-CG 4.4Å; L127-L131 HydrophobicContact CG-CD1 4.16Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.25Å; L127-L157 HydrophobicContact CD1-CD2 3.45Å; L127-L157 VanDerWaalsContact CD1-CD2 3.45Å; L127-Q160 HydrophobicContact CD1-CB 4.15Å; L127-Q160 VanDerWaalsContact CD1-OE1 3.26Å; L127-I164 HydrophobicContact CB-CD1 4.38Å; L127-I164 HydrophobicContact CD2-CD1 3.94Å
128	W	98.4	Very high	97.7	Very high	146 Å²	146	74.5 Å²	74.5	55%	0.553	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-43.3	177.1	-178	-120.7	0	0	0	113.1	A124 K125 E126 F130 L131 Q132	A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.05Å; K125-W128 WeakPolarHBondContact O-CB 3.36Å; K125-W128 PolarHBondContact O-N 3.27Å; E126-W128 VanDerWaalsContact C-N 3.27Å; E126-W128 PolarHBondContact O-N 2.95Å; W128-F130 VanDerWaalsContact C-N 3.31Å; W128-F130 PolarHBondContact O-N 3.13Å; W128-L131 HydrophobicContact CE3-CB 4.43Å; W128-L131 HydrophobicContact CE3-CD1 4.14Å; W128-L131 PolarHBondContact O-N 3.04Å; W128-Q132 HydrophobicContact CD2-CG 4.13Å; W128-Q132 HydrophobicContact CE3-CG 4.48Å; W128-Q132 HydrophobicContact CH2-CG 4.32Å; W128-Q132 HydrophobicContact CZ2-CG 3.95Å; W128-Q132 VanDerWaalsContact NE1-NE2 3.11Å; W128-Q132 VanDerWaalsContact O-CG 3.32Å; W128-Q132 WeakPolarHBondContact O-CG 3.46Å; W128-Q132 PolarHBondContact O-N 3.4Å
129	F	98.3	Very high	97.5	Very high	112 Å²	112	77.1 Å²	77.1	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-60.7	-42	174.3	-63.5	-33.9	0	0	0	111.7	K125 E126 Q132 S133	K125-F129 HydrophobicContact CB-CE2 4.4Å; K125-F129 WeakPolarHBondContact O-CD2 3.24Å; K125-F129 WeakPolarHBondContact O-CG 3.49Å; K125-F129 PolarHBondContact O-N 2.91Å; E126-F129 PolarHBondContact O-N 3.01Å; F129-Q132 PolarHBondContact O-N 3.21Å; F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 2.61Å
130	F	98.2	Very high	97.3	Very high	39 Å²	39	77.6 Å²	77.6	17%	0.171	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-51.5	177.1	-177.9	-115.1	0	0	0	111.7	E126 L127 W128 Q132 S133 E134 F153 D156 L157	E126-F130 VanDerWaalsContact O-CB 3.31Å; E126-F130 WeakPolarHBondContact O-CB 3.43Å; E126-F130 PolarHBondContact O-N 3.27Å; L127-F130 PolarHBondContact O-N 3.14Å; W128-F130 VanDerWaalsContact C-N 3.31Å; W128-F130 PolarHBondContact O-N 3.13Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.45Å; F130-S133 PolarHBondContact O-N 3.49Å; F130-S133 VanDerWaalsContact O-N 3.15Å; F130-E134 HydrophobicContact CD2-CG 3.91Å; F130-E134 HydrophobicContact CE1-CG 4.38Å; F130-E134 HydrophobicContact CE2-CG 3.49Å; F130-E134 VanDerWaalsContact CE2-CG 3.49Å; F130-E134 HydrophobicContact CZ-CG 3.76Å; F130-E134 PolarHBondContact O-N 3.24Å; F130-F153 HydrophobicContact CD1-CD2 4.38Å; F130-F153 AromaticContact CD1-CE2 3.96Å; F130-F153 HydrophobicContact CD1-CE2 3.96Å; F130-F153 AromaticContact CE1-CD2 3.56Å; F130-F153 HydrophobicContact CE1-CD2 3.56Å; F130-F153 AromaticContact CE1-CE2 3.58Å; F130-F153 HydrophobicContact CE1-CE2 3.58Å; F130-F153 AromaticContact CZ-CD2 3.82Å; F130-F153 HydrophobicContact CZ-CD2 3.82Å; F130-F153 HydrophobicContact CZ-CE2 4.17Å; F130-D156 HydrophobicContact CE1-CB 3.95Å; F130-D156 HydrophobicContact CZ-CB 3.73Å; F130-L157 HydrophobicContact CD1-CD2 3.73Å; F130-L157 HydrophobicContact CD1-CG 4.45Å; F130-L157 HydrophobicContact CE1-CD2 3.87Å; F130-L157 HydrophobicContact CE1-CG 4.09Å
131	L	97.9	Very high	97.1	Very high	43 Å²	43	78.2 Å²	78.2	23%	0.225	38%	0.383	C	S	.	.	H	α-helix	trans	-53.1	-49.4	175.9	-74.9	170.5	0	0	0	111.5	L127 W128 S133 L135 F153 L157	L127-L131 HydrophobicContact CD1-CD1 4.5Å; L127-L131 HydrophobicContact CD1-CG 4.4Å; L127-L131 HydrophobicContact CG-CD1 4.16Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.25Å; W128-L131 HydrophobicContact CE3-CB 4.43Å; W128-L131 HydrophobicContact CE3-CD1 4.14Å; W128-L131 PolarHBondContact O-N 3.04Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 2.84Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CD1 3.33Å; L131-L135 WeakPolarHBondContact O-CG 3.37Å; L131-L135 PolarHBondContact O-N 3.27Å; L131-F153 HydrophobicContact CD2-CE2 4.3Å; L131-F153 HydrophobicContact CD2-CZ 3.68Å; L131-L157 HydrophobicContact CD2-CD1 3.88Å; L131-L157 HydrophobicContact CD2-CD2 3.51Å; L131-L157 HydrophobicContact CD2-CG 4.34Å; L131-L157 HydrophobicContact CG-CD2 4.05Å
132	Q	97.8	Very high	96.9	Very high	75 Å²	75	82.4 Å²	82.4	35%	0.35	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-38.6	-179.9	-72.8	-174.2	-26.8	0	0	113.1	W128 F129 F130 K136	W128-Q132 HydrophobicContact CD2-CG 4.13Å; W128-Q132 HydrophobicContact CE3-CG 4.48Å; W128-Q132 HydrophobicContact CH2-CG 4.32Å; W128-Q132 HydrophobicContact CZ2-CG 3.95Å; W128-Q132 VanDerWaalsContact NE1-NE2 3.11Å; W128-Q132 VanDerWaalsContact O-CG 3.32Å; W128-Q132 WeakPolarHBondContact O-CG 3.46Å; W128-Q132 PolarHBondContact O-N 3.4Å; F129-Q132 PolarHBondContact O-N 3.21Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.45Å; Q132-K136 WeakPolarHBondContact O-CD 3.41Å; Q132-K136 WeakPolarHBondContact O-CG 3.21Å; Q132-K136 PolarHBondContact O-N 2.98Å
133	S	97.5	Very high	96.7	Very high	53 Å²	53	81 Å²	81	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-69.6	-52.8	-179.6	-175.6	0	0	0	0	111.2	F129 F130 L131 K136 K137	F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 2.61Å; F130-S133 PolarHBondContact O-N 3.49Å; F130-S133 VanDerWaalsContact O-N 3.15Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 2.84Å; S133-K136 PolarHBondContact O-N 3.04Å; S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.44Å
134	E	96.6	Very high	96.4	Very high	9 Å²	9	84.5 Å²	84.5	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-69.2	-41.3	-176.4	-67	-55.3	126.3	0	0	112.1	F130 K136 K137 L138 R149 F153	F130-E134 HydrophobicContact CD2-CG 3.91Å; F130-E134 HydrophobicContact CE1-CG 4.38Å; F130-E134 HydrophobicContact CE2-CG 3.49Å; F130-E134 VanDerWaalsContact CE2-CG 3.49Å; F130-E134 HydrophobicContact CZ-CG 3.76Å; F130-E134 PolarHBondContact O-N 3.24Å; E134-K136 PolarHBondContact O-N 2.93Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 IonicContact OE1-NZ 3.43Å; E134-K137 PolarHBondContact OE1-NZ 2.9Å; E134-L138 WeakPolarHBondContact O-CG 3.35Å; E134-L138 PolarHBondContact O-N 3.11Å; E134-R149 IonicContact OE1-NH2 3.66Å; E134-R149 IonicContact OE2-CZ 2.73Å; E134-R149 IonicContact OE2-NE 3.71Å; E134-R149 PolarHBondContact OE2-NE 3.42Å; E134-R149 IonicContact OE2-NH2 2.63Å; E134-R149 PolarHBondContact OE2-NH2 3.47Å; E134-F153 HydrophobicContact CB-CD2 3.58Å; E134-F153 HydrophobicContact CB-CE2 3.43Å; E134-F153 VanDerWaalsContact CB-CE2 3.43Å; E134-F153 HydrophobicContact CB-CG 4.35Å; E134-F153 HydrophobicContact CB-CZ 4.09Å; E134-F153 HydrophobicContact CG-CD2 3.8Å; E134-F153 HydrophobicContact CG-CE2 3.91Å
135	L	96.5	Very high	96.2	Very high	88 Å²	88	87.2 Å²	87.2	46%	0.461	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-31	175.8	-71.9	171.5	0	0	0	112.7	L131 L138 K139 F153	L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CD1 3.33Å; L131-L135 WeakPolarHBondContact O-CG 3.37Å; L131-L135 PolarHBondContact O-N 3.27Å; L135-L138 HydrophobicContact CD2-CD1 4.26Å; L135-K139 WeakPolarHBondContact O-CG 3.4Å; L135-K139 PolarHBondContact O-N 3.25Å; L135-F153 HydrophobicContact CD2-CE1 4.27Å; L135-F153 HydrophobicContact CG-CZ 4.33Å
136	K	96.4	Very high	96	Very high	139 Å²	139	85.3 Å²	85.3	60%	0.604	43%	0.427	S	S	*	.	H	α-helix	trans	-70.8	-36.8	173.3	-75.7	172.1	-173.5	173.4	0	112.1	Q132 S133 E134	Q132-K136 WeakPolarHBondContact O-CD 3.41Å; Q132-K136 WeakPolarHBondContact O-CG 3.21Å; Q132-K136 PolarHBondContact O-N 2.98Å; S133-K136 PolarHBondContact O-N 3.04Å; E134-K136 PolarHBondContact O-N 2.93Å
137	K	94.9	Very high	95.9	Very high	97 Å²	97	87 Å²	87	42%	0.422	44%	0.435	S	S	.	.	H	α-helix	trans	-68.2	-43.9	176.1	-65	172.4	-170.8	172.3	0	111.1	S133 E134 K139 N140	S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.44Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 IonicContact OE1-NZ 3.43Å; E134-K137 PolarHBondContact OE1-NZ 2.9Å; K137-K139 PolarHBondContact O-N 3.47Å; K137-N140 PolarHBondContact O-N 3.46Å; K137-N140 VanDerWaalsContact O-N 3.07Å
138	L	95.6	Very high	95.7	Very high	20 Å²	20	91.2 Å²	91.2	11%	0.105	45%	0.449	C	S	.	.	H	α-helix	trans	-58.5	-33.4	-179.5	-71.9	172.7	0	0	0	112.9	E134 L135 N140 L141 L146 R149 V150 F153	E134-L138 WeakPolarHBondContact O-CG 3.35Å; E134-L138 PolarHBondContact O-N 3.11Å; L135-L138 HydrophobicContact CD2-CD1 4.26Å; L138-N140 PolarHBondContact O-N 3.41Å; L138-N140 VanDerWaalsContact O-N 3.09Å; L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.99Å; L138-L141 VanDerWaalsContact O-N 3.15Å; L138-L146 HydrophobicContact CB-CD1 4.17Å; L138-L146 HydrophobicContact CD2-CD1 3.75Å; L138-L146 WeakPolarHBondContact O-CD1 3.46Å; L138-R149 HydrophobicContact CD2-CB 3.86Å; L138-R149 HydrophobicContact CD2-CG 3.63Å; L138-V150 HydrophobicContact CD1-CG2 4.28Å; L138-V150 HydrophobicContact CD2-CG2 3.84Å; L138-F153 HydrophobicContact CD1-CD1 4.05Å; L138-F153 HydrophobicContact CD1-CE1 4.3Å
139	K	93.9	Very high	95.5	Very high	175 Å²	175	87.6 Å²	87.6	76%	0.761	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	176.8	-75	178.5	-179.3	-170.9	0	114.7	L135 K137	L135-K139 WeakPolarHBondContact O-CG 3.4Å; L135-K139 PolarHBondContact O-N 3.25Å; K137-K139 PolarHBondContact O-N 3.47Å
140	N	93.3	Very high	95.5	Very high	137 Å²	137	84.5 Å²	84.5	73%	0.733	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	3.2	-177.2	-55.9	-36.4	0	0	0	112.7	K137 L138	K137-N140 PolarHBondContact O-N 3.46Å; K137-N140 VanDerWaalsContact O-N 3.07Å; L138-N140 PolarHBondContact O-N 3.41Å; L138-N140 VanDerWaalsContact O-N 3.09Å
141	L	94.3	Very high	95.3	Very high	40 Å²	40	87.8 Å²	87.8	21%	0.209	44%	0.444	C	S	.	.			trans	-108	149.6	-178.8	-59.8	179.1	0	0	0	110.2	L138 E145 L146 R149	L138-L141 HydrophobicContact CD2-CD1 4.44Å; L138-L141 PolarHBondContact O-N 2.99Å; L138-L141 VanDerWaalsContact O-N 3.15Å; L141-E145 HydrophobicContact CD1-CG 4.48Å; L141-E145 HydrophobicContact CD2-CG 4.21Å; L141-L146 HydrophobicContact CB-CB 3.97Å; L141-L146 HydrophobicContact CB-CD1 4Å; L141-R149 HydrophobicContact CD1-CB 3.84Å; L141-R149 HydrophobicContact CD1-CG 3.86Å
142	E	94.5	Very high	95.2	Very high	171 Å²	171	88.9 Å²	88.9	80%	0.799	45%	0.449	S	S	*	.			trans	-137.9	165.4	176.9	-65.8	-173.1	176.7	0	0	111.1	L146	E142-L146 PolarHBondContact O-N 3.5Å
143	G	94.3	Very high	95.2	Very high	56 Å²	56	86 Å²	86	58%	0.577	44%	0.435	S	S	*	.	H	α-helix	trans	61.7	-140.8	173.9	0	0	0	0	0	114.1	E145 L146 Q147	G143-E145 VanDerWaalsContact C-N 3.32Å; G143-E145 PolarHBondContact O-N 3.3Å; G143-L146 PolarHBondContact O-N 2.82Å; G143-Q147 PolarHBondContact O-N 2.89Å
144	S	93	Very high	95.1	Very high	96 Å²	96	88.5 Å²	88.5	67%	0.671	44%	0.443	S	S	*	.	H	α-helix	trans	-68.8	-28.5	-175.8	54	0	0	0	0	113.6	Q147 R148	S144-Q147 PolarHBondContact O-N 3.37Å; S144-R148 PolarHBondContact O-N 3.28Å
145	E	93.4	Very high	95.1	Very high	106 Å²	106	91 Å²	91	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-67.1	-40.4	176.9	-173.8	174.3	-170.4	0	0	111.2	L141 G143 R149	L141-E145 HydrophobicContact CD1-CG 4.48Å; L141-E145 HydrophobicContact CD2-CG 4.21Å; G143-E145 VanDerWaalsContact C-N 3.32Å; G143-E145 PolarHBondContact O-N 3.3Å; E145-R149 WeakPolarHBondContact O-CB 3.32Å; E145-R149 PolarHBondContact O-N 3.05Å
146	L	95.4	Very high	95.2	Very high	55 Å²	55	90.3 Å²	90.3	29%	0.288	46%	0.459	S	S	.	.	H	α-helix	trans	-59.9	-48.4	173.4	177.2	64.6	0	0	0	111	L138 L141 E142 G143 R149 V150	L138-L146 HydrophobicContact CB-CD1 4.17Å; L138-L146 HydrophobicContact CD2-CD1 3.75Å; L138-L146 WeakPolarHBondContact O-CD1 3.46Å; L141-L146 HydrophobicContact CB-CB 3.97Å; L141-L146 HydrophobicContact CB-CD1 4Å; E142-L146 PolarHBondContact O-N 3.5Å; G143-L146 PolarHBondContact O-N 2.82Å; L146-R149 PolarHBondContact O-N 2.94Å; L146-V150 HydrophobicContact CD1-CG2 4.13Å; L146-V150 HydrophobicContact CG-CG2 4.4Å; L146-V150 VanDerWaalsContact O-CG2 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 3.06Å; L146-V150 PolarHBondContact O-N 3.17Å
147	Q	94.7	Very high	95.2	Very high	133 Å²	133	85 Å²	85	62%	0.621	44%	0.437	S	S	*	.	H	α-helix	trans	-58.3	-52.3	-179.5	-71.2	-179.7	-27.1	0	0	111.8	G143 S144 R149 V150 D151	G143-Q147 PolarHBondContact O-N 2.89Å; S144-Q147 PolarHBondContact O-N 3.37Å; Q147-R149 VanDerWaalsContact C-N 3.25Å; Q147-R149 PolarHBondContact O-N 2.85Å; Q147-V150 PolarHBondContact O-N 3.39Å; Q147-V150 VanDerWaalsContact O-N 3.12Å; Q147-D151 PolarHBondContact O-N 2.88Å
148	R	95.4	Very high	95.3	Very high	126 Å²	126	81 Å²	81	48%	0.475	42%	0.424	S	S	.	.	H	α-helix	trans	-55.5	-42.7	176.6	-177	-174.2	62.7	86.6	1.6	111.6	S144 D151 E152	S144-R148 PolarHBondContact O-N 3.28Å; R148-D151 PolarHBondContact O-N 3.46Å; R148-E152 IonicContact CZ-OE1 3.32Å; R148-E152 IonicContact NH1-OE1 2.7Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.91Å; R148-E152 PolarHBondContact NH1-OE2 3.05Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 3.25Å
149	R	94.6	Very high	95.4	Very high	69 Å²	69	84 Å²	84	26%	0.26	44%	0.437	S	S	.	.	H	α-helix	trans	-70.2	-33.7	-178.8	-168.5	60.7	179.1	175.7	2.9	112.7	E134 L138 L141 E145 L146 Q147 E152 F153	E134-R149 IonicContact OE1-NH2 3.66Å; E134-R149 IonicContact OE2-CZ 2.73Å; E134-R149 IonicContact OE2-NE 3.71Å; E134-R149 PolarHBondContact OE2-NE 3.42Å; E134-R149 IonicContact OE2-NH2 2.63Å; E134-R149 PolarHBondContact OE2-NH2 3.47Å; L138-R149 HydrophobicContact CD2-CB 3.86Å; L138-R149 HydrophobicContact CD2-CG 3.63Å; L141-R149 HydrophobicContact CD1-CB 3.84Å; L141-R149 HydrophobicContact CD1-CG 3.86Å; E145-R149 WeakPolarHBondContact O-CB 3.32Å; E145-R149 PolarHBondContact O-N 3.05Å; L146-R149 PolarHBondContact O-N 2.94Å; Q147-R149 VanDerWaalsContact C-N 3.25Å; Q147-R149 PolarHBondContact O-N 2.85Å; R149-E152 IonicContact CZ-OE2 2.96Å; R149-E152 IonicContact NH1-OE2 2.78Å; R149-E152 PolarHBondContact NH1-OE2 2.99Å; R149-F153 WeakPolarHBondContact O-CB 3.48Å; R149-F153 PolarHBondContact O-N 3.39Å
150	V	96.6	Very high	95.5	Very high	48 Å²	48	78.4 Å²	78.4	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-43.5	173.1	169.4	0	0	0	0	110.6	L138 L146 Q147 F153 L154	L138-V150 HydrophobicContact CD1-CG2 4.28Å; L138-V150 HydrophobicContact CD2-CG2 3.84Å; L146-V150 HydrophobicContact CD1-CG2 4.13Å; L146-V150 HydrophobicContact CG-CG2 4.4Å; L146-V150 VanDerWaalsContact O-CG2 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 3.06Å; L146-V150 PolarHBondContact O-N 3.17Å; Q147-V150 PolarHBondContact O-N 3.39Å; Q147-V150 VanDerWaalsContact O-N 3.12Å; V150-F153 WeakPolarHBondContact O-CB 3.41Å; V150-F153 PolarHBondContact O-N 3.32Å; V150-L154 HydrophobicContact CG1-CD1 4.04Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CG 3.49Å; V150-L154 PolarHBondContact O-N 2.88Å
151	D	95.4	Very high	95.8	Very high	107 Å²	107	76 Å²	76	57%	0.572	40%	0.398	S	S	*	.	H	α-helix	trans	-64.6	-44.8	179.5	-63.2	-25.3	0	0	0	111.7	Q147 R148 F153 L154 S155	Q147-D151 PolarHBondContact O-N 2.88Å; R148-D151 PolarHBondContact O-N 3.46Å; D151-F153 VanDerWaalsContact C-N 3.33Å; D151-F153 PolarHBondContact O-N 2.92Å; D151-L154 PolarHBondContact O-N 3.25Å; D151-S155 PolarHBondContact O-N 3.19Å
152	E	96	Very high	95.9	Very high	67 Å²	67	75.2 Å²	75.2	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-46.3	172.2	-74.9	171.8	-171.2	0	0	111.4	R148 R149 L154 S155 D156	R148-E152 IonicContact CZ-OE1 3.32Å; R148-E152 IonicContact NH1-OE1 2.7Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.91Å; R148-E152 PolarHBondContact NH1-OE2 3.05Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 3.25Å; R149-E152 IonicContact CZ-OE2 2.96Å; R149-E152 IonicContact NH1-OE2 2.78Å; R149-E152 PolarHBondContact NH1-OE2 2.99Å; E152-L154 PolarHBondContact O-N 3Å; E152-S155 PolarHBondContact O-N 3.06Å; E152-D156 PolarHBondContact O-N 3.39Å
153	F	97.1	Very high	96.1	Very high	15 Å²	15	68.9 Å²	68.9	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-43.5	180	173.9	-122.9	0	0	0	112.5	F130 L131 E134 L135 L138 R149 V150 D151 S155 D156 L157	F130-F153 HydrophobicContact CD1-CD2 4.38Å; F130-F153 AromaticContact CD1-CE2 3.96Å; F130-F153 HydrophobicContact CD1-CE2 3.96Å; F130-F153 AromaticContact CE1-CD2 3.56Å; F130-F153 HydrophobicContact CE1-CD2 3.56Å; F130-F153 AromaticContact CE1-CE2 3.58Å; F130-F153 HydrophobicContact CE1-CE2 3.58Å; F130-F153 AromaticContact CZ-CD2 3.82Å; F130-F153 HydrophobicContact CZ-CD2 3.82Å; F130-F153 HydrophobicContact CZ-CE2 4.17Å; L131-F153 HydrophobicContact CD2-CE2 4.3Å; L131-F153 HydrophobicContact CD2-CZ 3.68Å; E134-F153 HydrophobicContact CB-CD2 3.58Å; E134-F153 HydrophobicContact CB-CE2 3.43Å; E134-F153 VanDerWaalsContact CB-CE2 3.43Å; E134-F153 HydrophobicContact CB-CG 4.35Å; E134-F153 HydrophobicContact CB-CZ 4.09Å; E134-F153 HydrophobicContact CG-CD2 3.8Å; E134-F153 HydrophobicContact CG-CE2 3.91Å; L135-F153 HydrophobicContact CD2-CE1 4.27Å; L135-F153 HydrophobicContact CG-CZ 4.33Å; L138-F153 HydrophobicContact CD1-CD1 4.05Å; L138-F153 HydrophobicContact CD1-CE1 4.3Å; R149-F153 WeakPolarHBondContact O-CB 3.48Å; R149-F153 PolarHBondContact O-N 3.39Å; V150-F153 WeakPolarHBondContact O-CB 3.41Å; V150-F153 PolarHBondContact O-N 3.32Å; D151-F153 VanDerWaalsContact C-N 3.33Å; D151-F153 PolarHBondContact O-N 2.92Å; F153-S155 VanDerWaalsContact C-N 3.35Å; F153-D156 PolarHBondContact O-N 3.12Å; F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD2-CD1 4.15Å; F153-L157 HydrophobicContact CD2-CG 4.05Å; F153-L157 HydrophobicContact CE1-CD1 3.54Å; F153-L157 HydrophobicContact CE1-CG 4.45Å; F153-L157 HydrophobicContact CE2-CD1 3.77Å; F153-L157 HydrophobicContact CE2-CD2 3.99Å; F153-L157 HydrophobicContact CE2-CG 3.8Å; F153-L157 HydrophobicContact CG-CD1 4.25Å; F153-L157 HydrophobicContact CG-CG 4.5Å; F153-L157 HydrophobicContact CZ-CD1 3.51Å; F153-L157 HydrophobicContact CZ-CD2 4.29Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.43Å; F153-L157 VanDerWaalsContact O-CG 3.24Å; F153-L157 WeakPolarHBondContact O-CG 3.39Å; F153-L157 PolarHBondContact O-N 3.11Å
154	L	96.3	Very high	96.3	Very high	104 Å²	104	67.3 Å²	67.3	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-39.2	176.7	-73.6	173	0	0	0	111.9	V150 D151 E152 L157 G158	V150-L154 HydrophobicContact CG1-CD1 4.04Å; V150-L154 HydrophobicContact CG1-CG 4.41Å; V150-L154 WeakPolarHBondContact O-CG 3.49Å; V150-L154 PolarHBondContact O-N 2.88Å; D151-L154 PolarHBondContact O-N 3.25Å; E152-L154 PolarHBondContact O-N 3Å; L154-L157 PolarHBondContact O-N 2.96Å; L154-G158 PolarHBondContact O-N 3.11Å
155	S	96	Very high	96.6	Very high	63 Å²	63	66.5 Å²	66.5	44%	0.441	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-49.1	175	-177.7	0	0	0	0	111.6	D151 E152 F153 L157 G158 H159	D151-S155 PolarHBondContact O-N 3.19Å; E152-S155 PolarHBondContact O-N 3.06Å; F153-S155 VanDerWaalsContact C-N 3.35Å; S155-L157 PolarHBondContact O-N 2.95Å; S155-G158 PolarHBondContact O-N 3.23Å; S155-H159 PolarHBondContact O-CD2 3.02Å; S155-H159 VanDerWaalsContact O-CD2 3.27Å; S155-H159 PolarHBondContact O-N 3.45Å; S155-H159 VanDerWaalsContact O-N 3.11Å
156	D	97.3	Very high	96.8	Very high	72 Å²	72	61.9 Å²	61.9	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-43.5	177.4	-74.3	-18.8	0	0	0	111.9	F130 E152 F153 G158 H159 Q160	F130-D156 HydrophobicContact CE1-CB 3.95Å; F130-D156 HydrophobicContact CZ-CB 3.73Å; E152-D156 PolarHBondContact O-N 3.39Å; F153-D156 PolarHBondContact O-N 3.12Å; D156-G158 VanDerWaalsContact C-N 3.34Å; D156-G158 PolarHBondContact O-N 3.35Å; D156-H159 PolarHBondContact O-N 3.39Å; D156-Q160 WeakPolarHBondContact O-CG 3.34Å; D156-Q160 PolarHBondContact O-N 3.34Å
157	L	97.4	Very high	97	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-44.1	175.9	-77.4	178.1	0	0	0	111.8	L127 F130 L131 F153 L154 S155 H159 Q160 E161	L127-L157 HydrophobicContact CD1-CD2 3.45Å; L127-L157 VanDerWaalsContact CD1-CD2 3.45Å; F130-L157 HydrophobicContact CD1-CD2 3.73Å; F130-L157 HydrophobicContact CD1-CG 4.45Å; F130-L157 HydrophobicContact CE1-CD2 3.87Å; F130-L157 HydrophobicContact CE1-CG 4.09Å; L131-L157 HydrophobicContact CD2-CD1 3.88Å; L131-L157 HydrophobicContact CD2-CD2 3.51Å; L131-L157 HydrophobicContact CD2-CG 4.34Å; L131-L157 HydrophobicContact CG-CD2 4.05Å; F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD2-CD1 4.15Å; F153-L157 HydrophobicContact CD2-CG 4.05Å; F153-L157 HydrophobicContact CE1-CD1 3.54Å; F153-L157 HydrophobicContact CE1-CG 4.45Å; F153-L157 HydrophobicContact CE2-CD1 3.77Å; F153-L157 HydrophobicContact CE2-CD2 3.99Å; F153-L157 HydrophobicContact CE2-CG 3.8Å; F153-L157 HydrophobicContact CG-CD1 4.25Å; F153-L157 HydrophobicContact CG-CG 4.5Å; F153-L157 HydrophobicContact CZ-CD1 3.51Å; F153-L157 HydrophobicContact CZ-CD2 4.29Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.43Å; F153-L157 VanDerWaalsContact O-CG 3.24Å; F153-L157 WeakPolarHBondContact O-CG 3.39Å; F153-L157 PolarHBondContact O-N 3.11Å; L154-L157 PolarHBondContact O-N 2.96Å; S155-L157 PolarHBondContact O-N 2.95Å; L157-H159 VanDerWaalsContact C-N 3.32Å; L157-H159 PolarHBondContact O-N 2.73Å; L157-Q160 PolarHBondContact O-N 2.87Å; L157-E161 WeakPolarHBondContact O-CB 3.4Å; L157-E161 PolarHBondContact O-N 3.36Å
158	G	96.8	Very high	97.1	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-45.3	176.2	0	0	0	0	0	111.7	L154 S155 D156 Q160 E161 R162	L154-G158 PolarHBondContact O-N 3.11Å; S155-G158 PolarHBondContact O-N 3.23Å; D156-G158 VanDerWaalsContact C-N 3.34Å; D156-G158 PolarHBondContact O-N 3.35Å; G158-Q160 VanDerWaalsContact C-N 3.35Å; G158-Q160 PolarHBondContact O-N 2.86Å; G158-E161 PolarHBondContact O-N 3.49Å; G158-R162 VanDerWaalsContact C-NH1 3.27Å; G158-R162 VanDerWaalsContact C-NH2 3.29Å; G158-R162 VanDerWaalsContact CA-NH1 3.27Å; G158-R162 WeakPolarHBondContact O-CB 3.44Å; G158-R162 WeakPolarHBondContact O-CG 3.19Å; G158-R162 PolarHBondContact O-N 3.24Å; G158-R162 PolarHBondContact O-NE 2.84Å; G158-R162 PolarHBondContact O-NH1 3.45Å; G158-R162 VanDerWaalsContact O-NH1 3.13Å
159	H	97	Very high	97.3	Very high	83 Å²	83	55 Å²	55	38%	0.384	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-37.7	178	-71.1	-50.3	0	0	0	113.4	S155 D156 L157 S163 R396	S155-H159 PolarHBondContact O-CD2 3.02Å; S155-H159 VanDerWaalsContact O-CD2 3.27Å; S155-H159 PolarHBondContact O-N 3.45Å; S155-H159 VanDerWaalsContact O-N 3.11Å; D156-H159 PolarHBondContact O-N 3.39Å; L157-H159 VanDerWaalsContact C-N 3.32Å; L157-H159 PolarHBondContact O-N 2.73Å; H159-S163 PolarHBondContact O-N 2.9Å; H159-R396 PolarHBondContact O-NH2 3.47Å
160	Q	97.4	Very high	97.4	Very high	57 Å²	57	56 Å²	56	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-47.6	176.7	-71.8	-176.3	8.6	0	0	111.6	L127 D156 L157 G158 R162 S163 I164	L127-Q160 HydrophobicContact CD1-CB 4.15Å; L127-Q160 VanDerWaalsContact CD1-OE1 3.26Å; D156-Q160 WeakPolarHBondContact O-CG 3.34Å; D156-Q160 PolarHBondContact O-N 3.34Å; L157-Q160 PolarHBondContact O-N 2.87Å; G158-Q160 VanDerWaalsContact C-N 3.35Å; G158-Q160 PolarHBondContact O-N 2.86Å; Q160-R162 PolarHBondContact O-N 3.4Å; Q160-S163 WeakPolarHBondContact O-CB 3.44Å; Q160-S163 PolarHBondContact O-N 2.96Å; Q160-S163 VanDerWaalsContact O-N 3.13Å; Q160-S163 PolarHBondContact O-OG 2.9Å; Q160-I164 PolarHBondContact O-N 3.42Å
161	E	98	Very high	97.5	Very high	86 Å²	86	55.6 Å²	55.6	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-56.1	-50	175.7	-173.1	-79.2	163.8	0	0	111	L157 G158 S163 I164 M165	L157-E161 WeakPolarHBondContact O-CB 3.4Å; L157-E161 PolarHBondContact O-N 3.36Å; G158-E161 PolarHBondContact O-N 3.49Å; E161-S163 PolarHBondContact O-N 2.85Å; E161-S163 VanDerWaalsContact O-N 3.14Å; E161-I164 WeakPolarHBondContact O-CB 3.34Å; E161-I164 PolarHBondContact O-N 2.95Å; E161-M165 PolarHBondContact O-N 3.25Å; E161-M165 WeakPolarHBondContact OE1-CG 3.49Å
162	R	98.1	Very high	97.6	Very high	24 Å²	24	52.3 Å²	52.3	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-28.4	179.5	-73.3	-174.6	-75.1	-71.9	4	112.7	G158 Q160 T166 E392 L393	G158-R162 VanDerWaalsContact C-NH1 3.27Å; G158-R162 VanDerWaalsContact C-NH2 3.29Å; G158-R162 VanDerWaalsContact CA-NH1 3.27Å; G158-R162 WeakPolarHBondContact O-CB 3.44Å; G158-R162 WeakPolarHBondContact O-CG 3.19Å; G158-R162 PolarHBondContact O-N 3.24Å; G158-R162 PolarHBondContact O-NE 2.84Å; G158-R162 PolarHBondContact O-NH1 3.45Å; G158-R162 VanDerWaalsContact O-NH1 3.13Å; Q160-R162 PolarHBondContact O-N 3.4Å; R162-T166 WeakPolarHBondContact O-CB 3.39Å; R162-T166 PolarHBondContact O-N 3.49Å; R162-T166 PolarHBondContact O-OG1 3.17Å; R162-E392 IonicContact CZ-OE2 3.5Å; R162-E392 IonicContact NE-OE2 2.97Å; R162-E392 PolarHBondContact NE-OE2 2.97Å; R162-E392 IonicContact NH1-OE2 3.97Å; R162-E392 IonicContact NH2-OE2 3.07Å; R162-E392 PolarHBondContact NH2-OE2 3.38Å; R162-L393 HydrophobicContact CB-CD1 4.11Å; R162-L393 HydrophobicContact CG-CB 4.37Å; R162-L393 HydrophobicContact CG-CD1 4.27Å
163	S	98.3	Very high	97.6	Very high	38 Å²	38	52.7 Å²	52.7	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-68.2	-43.7	174.9	78.8	0	0	0	0	111.8	H159 Q160 E161 T166 D167	H159-S163 PolarHBondContact O-N 2.9Å; Q160-S163 WeakPolarHBondContact O-CB 3.44Å; Q160-S163 PolarHBondContact O-N 2.96Å; Q160-S163 VanDerWaalsContact O-N 3.13Å; Q160-S163 PolarHBondContact O-OG 2.9Å; E161-S163 PolarHBondContact O-N 2.85Å; E161-S163 VanDerWaalsContact O-N 3.14Å; S163-T166 PolarHBondContact O-N 3.28Å; S163-D167 PolarHBondContact O-N 2.9Å
164	I	98.6	Very high	97.5	Very high	22 Å²	22	53.1 Å²	53.1	11%	0.113	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-44.8	176.2	-62.9	169.7	0	0	0	109.7	I120 L127 Q160 E161 T166 D167 L168	I120-I164 HydrophobicContact CG2-CG2 4.2Å; L127-I164 HydrophobicContact CB-CD1 4.38Å; L127-I164 HydrophobicContact CD2-CD1 3.94Å; Q160-I164 PolarHBondContact O-N 3.42Å; E161-I164 WeakPolarHBondContact O-CB 3.34Å; E161-I164 PolarHBondContact O-N 2.95Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 3.43Å; I164-D167 PolarHBondContact O-N 2.93Å; I164-L168 HydrophobicContact CG2-CD1 4.16Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 2.98Å
165	M	98.4	Very high	97.4	Very high	80 Å²	80	52.3 Å²	52.3	39%	0.394	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-34	177.9	-65.9	-53.6	-71.3	0	0	112.8	E161 L168 Y169 L393	E161-M165 PolarHBondContact O-N 3.25Å; E161-M165 WeakPolarHBondContact OE1-CG 3.49Å; M165-L168 PolarHBondContact O-N 3.46Å; M165-L168 HydrophobicContact SD-CD1 3.79Å; M165-Y169 PolarHBondContact O-N 3.07Å; M165-L393 HydrophobicContact CB-CD1 4.04Å
166	T	98.4	Very high	97.3	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-43.9	174.4	-58.9	0	0	0	0	111.4	R162 S163 I164 L168 Y169 Y170 R396	R162-T166 WeakPolarHBondContact O-CB 3.39Å; R162-T166 PolarHBondContact O-N 3.49Å; R162-T166 PolarHBondContact O-OG1 3.17Å; S163-T166 PolarHBondContact O-N 3.28Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 3.43Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-Y169 WeakPolarHBondContact O-CB 3.35Å; T166-Y169 PolarHBondContact O-N 2.86Å; T166-Y170 HydrophobicContact CG2-CD2 4.06Å; T166-Y170 HydrophobicContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.47Å; T166-Y170 WeakPolarHBondContact O-CD2 3.49Å; T166-Y170 PolarHBondContact O-N 3.28Å; T166-R396 HydrophobicContact CG2-CB 4.23Å; T166-R396 WeakPolarHBondContact OG1-CD 3.35Å
167	D	98.5	Very high	97.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-37.1	176.2	-73.9	-39.5	0	0	0	111.9	L116 R119 I120 S163 I164 Y169 Y170 L171	L116-D167 HydrophobicContact CD2-CB 4.34Å; R119-D167 VanDerWaalsContact CD-CG 3.48Å; R119-D167 WeakPolarHBondContact CD-OD1 3.42Å; R119-D167 WeakPolarHBondContact CD-OD2 3.4Å; R119-D167 WeakPolarHBondContact CG-OD2 3.45Å; R119-D167 IonicContact NH1-OD1 2.99Å; R119-D167 PolarHBondContact NH1-OD1 3.48Å; I120-D167 HydrophobicContact CD1-CB 4.23Å; I120-D167 HydrophobicContact CG1-CB 3.66Å; S163-D167 PolarHBondContact O-N 2.9Å; I164-D167 PolarHBondContact O-N 2.93Å; D167-Y169 VanDerWaalsContact C-N 3.34Å; D167-Y170 PolarHBondContact O-N 3.44Å; D167-L171 WeakPolarHBondContact O-CB 3.47Å; D167-L171 PolarHBondContact O-N 3.34Å
168	L	98.6	Very high	97.1	Very high	72 Å²	72	47.9 Å²	47.9	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-41.1	172.1	-80.1	166.8	0	0	0	112	I120 I164 M165 T166 L171 S172	I120-L168 HydrophobicContact CD1-CD2 3.8Å; I120-L168 HydrophobicContact CD1-CG 3.97Å; I120-L168 HydrophobicContact CG1-CG 4.33Å; I120-L168 HydrophobicContact CG2-CD2 4.3Å; I120-L168 HydrophobicContact CG2-CG 4.4Å; I164-L168 HydrophobicContact CG2-CD1 4.16Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 2.98Å; M165-L168 PolarHBondContact O-N 3.46Å; M165-L168 HydrophobicContact SD-CD1 3.79Å; T166-L168 VanDerWaalsContact C-N 3.35Å; L168-L171 PolarHBondContact O-N 2.82Å; L168-S172 PolarHBondContact O-N 2.6Å
169	Y	98.1	Very high	97.1	Very high	77 Å²	77	51.9 Å²	51.9	30%	0.302	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-49.5	172.5	169.4	-99.8	0	0	0	111	M165 T166 D167 L171 S172 Q173	M165-Y169 PolarHBondContact O-N 3.07Å; T166-Y169 WeakPolarHBondContact O-CB 3.35Å; T166-Y169 PolarHBondContact O-N 2.86Å; D167-Y169 VanDerWaalsContact C-N 3.34Å; Y169-L171 VanDerWaalsContact C-N 3.29Å; Y169-L171 PolarHBondContact O-N 2.92Å; Y169-S172 WeakPolarHBondContact O-CB 3.38Å; Y169-S172 PolarHBondContact O-N 3.03Å; Y169-S172 PolarHBondContact O-OG 3.25Å; Y169-Q173 HydrophobicContact CE1-CG 4.33Å; Y169-Q173 HydrophobicContact CE2-CG 4.11Å; Y169-Q173 WeakPolarHBondContact O-CG 3.41Å; Y169-Q173 PolarHBondContact O-N 2.96Å
170	Y	98.2	Very high	97.2	Very high	89 Å²	89	53 Å²	53	35%	0.349	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-36.9	177.7	-65.8	-46.4	0	0	0	112.6	T166 D167 S172 Q173 T174 R397	T166-Y170 HydrophobicContact CG2-CD2 4.06Å; T166-Y170 HydrophobicContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.47Å; T166-Y170 WeakPolarHBondContact O-CD2 3.49Å; T166-Y170 PolarHBondContact O-N 3.28Å; D167-Y170 PolarHBondContact O-N 3.44Å; Y170-S172 PolarHBondContact O-N 3Å; Y170-Q173 PolarHBondContact O-N 3.41Å; Y170-T174 PolarHBondContact O-N 2.99Å; Y170-R397 HydrophobicContact CE1-CB 4.49Å; Y170-R397 WeakPolarHBondContact OH-CA 3.44Å; Y170-R397 WeakPolarHBondContact OH-CB 3.43Å
171	L	98.2	Very high	97.2	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-34.5	174.5	-176	66.3	0	0	0	111.7	H113 L116 I120 D167 L168 Y169 Q173 T174	H113-L171 HydrophobicContact CB-CD1 4.39Å; L116-L171 HydrophobicContact CB-CB 4.3Å; L116-L171 HydrophobicContact CB-CD1 4.05Å; I120-L171 HydrophobicContact CD1-CB 4.17Å; I120-L171 HydrophobicContact CD1-CD2 3.72Å; D167-L171 WeakPolarHBondContact O-CB 3.47Å; D167-L171 PolarHBondContact O-N 3.34Å; L168-L171 PolarHBondContact O-N 2.82Å; Y169-L171 VanDerWaalsContact C-N 3.29Å; Y169-L171 PolarHBondContact O-N 2.92Å; L171-Q173 PolarHBondContact O-N 3.16Å; L171-T174 HydrophobicContact CD1-CG2 4.32Å
172	S	96.9	Very high	97.2	Very high	37 Å²	37	54.3 Å²	54.3	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-68.9	-18.7	176.1	81.4	0	0	0	0	113.9	L168 Y169 Y170 R181	L168-S172 PolarHBondContact O-N 2.6Å; Y169-S172 WeakPolarHBondContact O-CB 3.38Å; Y169-S172 PolarHBondContact O-N 3.03Å; Y169-S172 PolarHBondContact O-OG 3.25Å; Y170-S172 PolarHBondContact O-N 3Å; S172-R181 PolarHBondContact O-NH1 2.8Å; S172-R181 PolarHBondContact O-NH2 2.9Å
173	Q	96	Very high	97.2	Very high	76 Å²	76	59.6 Å²	59.6	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-106.7	-29.9	-175.1	-58.5	-53.5	-54.3	0	0	113.5	Y169 Y170 L171 G178	Y169-Q173 HydrophobicContact CE1-CG 4.33Å; Y169-Q173 HydrophobicContact CE2-CG 4.11Å; Y169-Q173 WeakPolarHBondContact O-CG 3.41Å; Y169-Q173 PolarHBondContact O-N 2.96Å; Y170-Q173 PolarHBondContact O-N 3.41Å; L171-Q173 PolarHBondContact O-N 3.16Å; Q173-G178 PolarHBondContact O-N 3.01Å
174	T	95.4	Very high	97.3	Very high	23 Å²	23	59.2 Å²	59.2	14%	0.141	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.3	160.9	-172.3	-165.7	0	0	0	0	113.9	D112 H113 L116 Y170 L171 G176 A177	D112-T174 VanDerWaalsContact CB-OG1 3.26Å; D112-T174 WeakPolarHBondContact CB-OG1 3.3Å; H113-T174 HydrophobicContact CB-CG2 3.92Å; L116-T174 HydrophobicContact CD1-CG2 4.29Å; Y170-T174 PolarHBondContact O-N 2.99Å; L171-T174 HydrophobicContact CD1-CG2 4.32Å; T174-G176 PolarHBondContact O-N 3.48Å; T174-G176 VanDerWaalsContact O-N 3.09Å; T174-A177 VanDerWaalsContact O-CB 3.24Å; T174-A177 WeakPolarHBondContact O-CB 3.46Å; T174-A177 PolarHBondContact O-N 2.96Å
175	D	93.9	Very high	97.3	Very high	87 Å²	87	58.5 Å²	58.5	47%	0.465	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	54.6	31.2	174.2	-61.2	-56.5	0	0	0	114.1	H113 A177	H113-D175 WeakPolarHBondContact CB-OD2 3.46Å; H113-D175 PolarHBondContact N-OD2 3.13Å; D175-A177 VanDerWaalsContact C-N 3.3Å; D175-A177 PolarHBondContact O-N 2.67Å
176	G	93.7	Very high	97.3	Very high	29 Å²	29	61 Å²	61	30%	0.299	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	77.2	10.4	178.7	0	0	0	0	0	114.6	T174 G178 W180	T174-G176 PolarHBondContact O-N 3.48Å; T174-G176 VanDerWaalsContact O-N 3.09Å; G176-G178 VanDerWaalsContact C-N 3.33Å; G176-W180 WeakPolarHBondContact O-CB 3.34Å; G176-W180 PolarHBondContact O-N 2.62Å
177	A	95.4	Very high	97.3	Very high	33 Å²	33	63.8 Å²	63.8	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-37	177.7	0	0	0	0	0	112.3	T174 D175 R181	T174-A177 VanDerWaalsContact O-CB 3.24Å; T174-A177 WeakPolarHBondContact O-CB 3.46Å; T174-A177 PolarHBondContact O-N 2.96Å; D175-A177 VanDerWaalsContact C-N 3.3Å; D175-A177 PolarHBondContact O-N 2.67Å; A177-R181 WeakPolarHBondContact O-CB 3.05Å; A177-R181 PolarHBondContact O-N 3.04Å
178	G	95.6	Very high	97.3	Very high	8 Å²	8	62.8 Å²	62.8	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-59.5	174.6	0	0	0	0	0	112.2	Q173 G176 W180 R181 E182	Q173-G178 PolarHBondContact O-N 3.01Å; G176-G178 VanDerWaalsContact C-N 3.33Å; G178-W180 VanDerWaalsContact C-N 3.27Å; G178-W180 PolarHBondContact O-N 2.61Å; G178-R181 PolarHBondContact O-N 2.81Å; G178-R181 VanDerWaalsContact O-N 3.08Å; G178-E182 PolarHBondContact O-N 2.75Å
179	D	96.9	Very high	97.3	Very high	99 Å²	99	60.1 Å²	60.1	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-56.4	-40.6	179.2	-57.6	-17	0	0	0	112.5	K183	D179-K183 WeakPolarHBondContact O-CB 3.41Å; D179-K183 PolarHBondContact O-N 2.8Å; D179-K183 VanDerWaalsContact O-N 3.09Å
180	W	98	Very high	97.3	Very high	106 Å²	106	59.9 Å²	59.9	40%	0.402	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.2	173.9	83.8	0	0	0	111.5	G176 G178 K183 E184 R319 V320	G176-W180 WeakPolarHBondContact O-CB 3.34Å; G176-W180 PolarHBondContact O-N 2.62Å; G178-W180 VanDerWaalsContact C-N 3.27Å; G178-W180 PolarHBondContact O-N 2.61Å; W180-K183 PolarHBondContact O-N 3.43Å; W180-E184 HydrophobicContact CH2-CB 4.38Å; W180-E184 HydrophobicContact CH2-CG 4.25Å; W180-E184 HydrophobicContact CZ2-CB 4.15Å; W180-E184 HydrophobicContact CZ2-CG 4.08Å; W180-E184 WeakPolarHBondContact O-CB 3.19Å; W180-E184 PolarHBondContact O-N 2.74Å; W180-R319 HydrophobicContact CH2-CB 4.32Å; W180-R319 HydrophobicContact CH2-CG 3.58Å; W180-R319 HydrophobicContact CZ2-CG 4.4Å; W180-R319 HydrophobicContact CZ3-CG 4.25Å; W180-V320 HydrophobicContact CH2-CG2 3.84Å; W180-V320 HydrophobicContact CZ3-CG2 4.2Å
181	R	98.3	Very high	97.4	Very high	46 Å²	46	56.5 Å²	56.5	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-43.1	-179.6	-167.7	-172.9	-62.1	98	2.2	111.2	S172 A177 G178 E184 A185 V320 P485	S172-R181 PolarHBondContact O-NH1 2.8Å; S172-R181 PolarHBondContact O-NH2 2.9Å; A177-R181 WeakPolarHBondContact O-CB 3.05Å; A177-R181 PolarHBondContact O-N 3.04Å; G178-R181 PolarHBondContact O-N 2.81Å; G178-R181 VanDerWaalsContact O-N 3.08Å; R181-E184 PolarHBondContact O-N 3.22Å; R181-A185 VanDerWaalsContact O-CB 3.24Å; R181-A185 WeakPolarHBondContact O-CB 3.35Å; R181-A185 PolarHBondContact O-N 2.88Å; R181-V320 HydrophobicContact CG-CG1 3.91Å; R181-P485 HydrophobicContact CB-CB 4.36Å; R181-P485 HydrophobicContact CG-CB 3.77Å
182	E	98.3	Very high	97.4	Very high	124 Å²	124	54.6 Å²	54.6	58%	0.579	28%	0.279	S	S	*	.	H	α-helix	trans	-60.7	-46.9	176.7	-175.2	-179.2	176.3	0	0	111.7	G178 K186 P485	G178-E182 PolarHBondContact O-N 2.75Å; E182-K186 WeakPolarHBondContact O-CB 3.23Å; E182-K186 PolarHBondContact O-N 2.85Å; E182-P485 HydrophobicContact CB-CG 3.87Å; E182-P485 HydrophobicContact CG-CG 4.21Å
183	K	98.5	Very high	97.5	Very high	135 Å²	135	53.9 Å²	53.9	59%	0.587	27%	0.272	S	S	*	.	H	α-helix	trans	-60.4	-50.3	176.8	-176.9	-175.6	173.1	-171.6	0	111.8	D179 W180 K186 D187	D179-K183 WeakPolarHBondContact O-CB 3.41Å; D179-K183 PolarHBondContact O-N 2.8Å; D179-K183 VanDerWaalsContact O-N 3.09Å; W180-K183 PolarHBondContact O-N 3.43Å; K183-K186 PolarHBondContact O-N 2.95Å; K183-D187 WeakPolarHBondContact O-CB 3.4Å; K183-D187 VanDerWaalsContact O-CG 3.28Å; K183-D187 PolarHBondContact O-N 3.27Å
184	E	98.6	Very high	97.6	Very high	30 Å²	30	55.4 Å²	55.4	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-40	-176.9	179.5	67.4	177.6	0	0	112	W180 R181 K186 D187 L188 R316 V320	W180-E184 HydrophobicContact CH2-CB 4.38Å; W180-E184 HydrophobicContact CH2-CG 4.25Å; W180-E184 HydrophobicContact CZ2-CB 4.15Å; W180-E184 HydrophobicContact CZ2-CG 4.08Å; W180-E184 WeakPolarHBondContact O-CB 3.19Å; W180-E184 PolarHBondContact O-N 2.74Å; R181-E184 PolarHBondContact O-N 3.22Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.42Å; E184-D187 PolarHBondContact O-N 3.18Å; E184-L188 HydrophobicContact CG-CD1 4.2Å; E184-L188 WeakPolarHBondContact O-CB 3.24Å; E184-L188 WeakPolarHBondContact O-CG 3.35Å; E184-L188 PolarHBondContact O-N 3.18Å; E184-R316 IonicContact OE1-CZ 2.63Å; E184-R316 IonicContact OE1-NE 3.5Å; E184-R316 PolarHBondContact OE1-NE 3.39Å; E184-R316 IonicContact OE1-NH2 3.07Å; E184-R316 PolarHBondContact OE1-NH2 2.88Å; E184-R316 IonicContact OE2-NH2 2.94Å; E184-R316 PolarHBondContact OE2-NH2 3.43Å; E184-V320 HydrophobicContact CB-CG2 4.01Å; E184-V320 HydrophobicContact CG-CG2 3.41Å; E184-V320 VanDerWaalsContact CG-CG2 3.41Å
185	A	98.6	Very high	97.8	Very high	7 Å²	7	55.1 Å²	55.1	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-40.9	175	0	0	0	0	0	112	R181 T189 V320 P485	R181-A185 VanDerWaalsContact O-CB 3.24Å; R181-A185 WeakPolarHBondContact O-CB 3.35Å; R181-A185 PolarHBondContact O-N 2.88Å; A185-T189 WeakPolarHBondContact O-CB 3.49Å; A185-T189 PolarHBondContact O-N 2.85Å; A185-T189 PolarHBondContact O-OG1 3.01Å; A185-V320 HydrophobicContact CB-CG1 3.8Å; A185-P485 HydrophobicContact CB-CB 4.05Å
186	K	98.6	Very high	98	Very high	134 Å²	134	51 Å²	51	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-64.8	-48.6	174.2	-175.4	179.7	178.3	-178.2	0	111.6	E182 K183 E184 L188 T189 D190	E182-K186 WeakPolarHBondContact O-CB 3.23Å; E182-K186 PolarHBondContact O-N 2.85Å; K183-K186 PolarHBondContact O-N 2.95Å; E184-K186 VanDerWaalsContact C-N 3.32Å; E184-K186 PolarHBondContact O-N 3.42Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 2.9Å; K186-T189 PolarHBondContact O-N 3.16Å; K186-T189 VanDerWaalsContact O-N 3.14Å; K186-D190 WeakPolarHBondContact O-CB 3.47Å; K186-D190 PolarHBondContact O-N 2.88Å
187	D	98.6	Very high	98.2	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-38.7	179.4	-72.2	-12.6	0	0	0	111.5	K183 E184 L191	K183-D187 WeakPolarHBondContact O-CB 3.4Å; K183-D187 VanDerWaalsContact O-CG 3.28Å; K183-D187 PolarHBondContact O-N 3.27Å; E184-D187 PolarHBondContact O-N 3.18Å; D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 2.82Å
188	L	98.8	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-44.5	174.3	-77.1	168.1	0	0	0	112.6	E184 K186 L191 V192 L313 R316 L317 V320 W327	E184-L188 HydrophobicContact CG-CD1 4.2Å; E184-L188 WeakPolarHBondContact O-CB 3.24Å; E184-L188 WeakPolarHBondContact O-CG 3.35Å; E184-L188 PolarHBondContact O-N 3.18Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 2.9Å; L188-L191 PolarHBondContact O-N 2.78Å; L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 3.5Å; L188-L313 HydrophobicContact CD2-CD2 4.18Å; L188-R316 HydrophobicContact CD1-CB 4.17Å; L188-R316 HydrophobicContact CD2-CB 3.99Å; L188-R316 VanDerWaalsContact CD2-CZ 3.46Å; L188-L317 HydrophobicContact CD1-CD2 3.99Å; L188-V320 HydrophobicContact CD1-CG2 4.43Å; L188-W327 HydrophobicContact CB-CH2 3.93Å; L188-W327 HydrophobicContact CB-CZ2 3.68Å
189	T	98.8	Very high	98.5	Very high	16 Å²	16	56.3 Å²	56.3	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-50.1	176.4	-61.6	0	0	0	0	110	A185 K186 L191 V192 Q193 K334	A185-T189 WeakPolarHBondContact O-CB 3.49Å; A185-T189 PolarHBondContact O-N 2.85Å; A185-T189 PolarHBondContact O-OG1 3.01Å; K186-T189 PolarHBondContact O-N 3.16Å; K186-T189 VanDerWaalsContact O-N 3.14Å; T189-L191 VanDerWaalsContact C-N 3.29Å; T189-L191 PolarHBondContact O-N 3.03Å; T189-V192 PolarHBondContact O-N 3.48Å; T189-Q193 HydrophobicContact CG2-CG 4.07Å; T189-Q193 WeakPolarHBondContact O-CB 3.42Å; T189-Q193 WeakPolarHBondContact O-CG 3.39Å; T189-Q193 PolarHBondContact O-N 2.97Å; T189-K334 HydrophobicContact CG2-CD 3.99Å
190	D	98.7	Very high	98.6	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-37.8	179.4	-72.4	-15.1	0	0	0	111.7	K186 R194	K186-D190 WeakPolarHBondContact O-CB 3.47Å; K186-D190 PolarHBondContact O-N 2.88Å; D190-R194 WeakPolarHBondContact O-CB 3.37Å; D190-R194 WeakPolarHBondContact O-CG 3.39Å; D190-R194 PolarHBondContact O-N 2.87Å; D190-R194 PolarHBondContact O-NE 2.88Å
191	L	98.8	Very high	98.6	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-54.1	172.4	175	62.9	0	0	0	111.7	D187 L188 T189 R194 R195 L313	D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 2.82Å; L188-L191 PolarHBondContact O-N 2.78Å; T189-L191 VanDerWaalsContact C-N 3.29Å; T189-L191 PolarHBondContact O-N 3.03Å; L191-R194 PolarHBondContact O-N 3.18Å; L191-R195 HydrophobicContact CD1-CG 4.47Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 3.28Å; L191-L313 HydrophobicContact CD2-CD2 3.95Å
192	V	98.8	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-176.8	175	0	0	0	0	111.3	L188 T189 R194 R195 I196 L313 W327 W328 Q331	L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 3.5Å; T189-V192 PolarHBondContact O-N 3.48Å; V192-R194 VanDerWaalsContact C-N 3.29Å; V192-R194 PolarHBondContact O-N 3.01Å; V192-R195 PolarHBondContact O-N 3.3Å; V192-R195 VanDerWaalsContact O-N 3.16Å; V192-I196 HydrophobicContact CG1-CD1 3.76Å; V192-I196 HydrophobicContact CG1-CG1 4.2Å; V192-I196 WeakPolarHBondContact O-CG1 3.39Å; V192-I196 PolarHBondContact O-N 3.5Å; V192-L313 HydrophobicContact CG2-CD1 3.67Å; V192-W327 HydrophobicContact CG2-CH2 3.78Å; V192-W327 HydrophobicContact CG2-CZ3 4.14Å; V192-W328 HydrophobicContact CG1-CH2 4.35Å; V192-W328 HydrophobicContact CG1-CZ3 3.68Å; V192-W328 HydrophobicContact CG2-CZ3 3.96Å; V192-Q331 HydrophobicContact CB-CG 4.26Å; V192-Q331 HydrophobicContact CG1-CB 3.7Å; V192-Q331 HydrophobicContact CG1-CG 3.88Å
193	Q	98.8	Very high	98.6	Very high	23 Å²	23	52.1 Å²	52.1	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-37.1	177.3	-65.1	-58.3	-52	0	0	111.8	T189 T197 Q331 K334	T189-Q193 HydrophobicContact CG2-CG 4.07Å; T189-Q193 WeakPolarHBondContact O-CB 3.42Å; T189-Q193 WeakPolarHBondContact O-CG 3.39Å; T189-Q193 PolarHBondContact O-N 2.97Å; Q193-T197 WeakPolarHBondContact O-CB 3.26Å; Q193-T197 PolarHBondContact O-N 2.74Å; Q193-T197 PolarHBondContact O-OG1 2.89Å; Q193-Q331 PolarHBondContact NE2-O 3.29Å; Q193-Q331 VanDerWaalsContact NE2-OE1 3.14Å; Q193-K334 HydrophobicContact CG-CD 4.43Å
194	R	98.7	Very high	98.5	Very high	108 Å²	108	48.6 Å²	48.6	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-45.5	172.3	-76.1	-176.6	-58	129.3	3	112.1	D190 L191 V192 I196 T197 Y198 D575	D190-R194 WeakPolarHBondContact O-CB 3.37Å; D190-R194 WeakPolarHBondContact O-CG 3.39Å; D190-R194 PolarHBondContact O-N 2.87Å; D190-R194 PolarHBondContact O-NE 2.88Å; L191-R194 PolarHBondContact O-N 3.18Å; V192-R194 VanDerWaalsContact C-N 3.29Å; V192-R194 PolarHBondContact O-N 3.01Å; R194-I196 PolarHBondContact O-N 3.3Å; R194-T197 PolarHBondContact O-N 3.42Å; R194-Y198 WeakPolarHBondContact O-CB 3.5Å; R194-Y198 PolarHBondContact O-N 3.2Å; R194-D575 IonicContact CZ-OD1 3.18Å; R194-D575 IonicContact NH1-OD1 3.79Å; R194-D575 PolarHBondContact NH1-OD1 2.75Å; R194-D575 IonicContact NH2-OD1 2.7Å; R194-D575 PolarHBondContact NH2-OD1 3.21Å
195	R	98.8	Very high	98.5	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.3	-65.6	178.2	177.9	-178	-8.9	111.9	L191 V192 Y198 L199 Y236 D312 T570 Y571 A574	L191-R195 HydrophobicContact CD1-CG 4.47Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 3.28Å; V192-R195 PolarHBondContact O-N 3.3Å; V192-R195 VanDerWaalsContact O-N 3.16Å; R195-Y198 PolarHBondContact O-N 3.43Å; R195-L199 PolarHBondContact O-N 3.48Å; R195-Y236 HydrophobicContact CB-CE2 4Å; R195-Y236 WeakPolarHBondContact CD-OH 3.36Å; R195-D312 IonicContact CZ-OD2 3.85Å; R195-D312 IonicContact NH1-OD2 2.86Å; R195-D312 PolarHBondContact NH1-OD2 3.23Å; R195-D312 IonicContact NH2-OD2 3.74Å; R195-D312 PolarHBondContact NH2-OD2 3.38Å; R195-T570 WeakPolarHBondContact CD-O 3.25Å; R195-T570 PolarHBondContact NE-O 3.26Å; R195-T570 PolarHBondContact NH2-O 2.89Å; R195-Y571 HydrophobicContact CB-CD2 4.11Å; R195-Y571 HydrophobicContact CB-CG 4.45Å; R195-A574 HydrophobicContact CG-CB 4.46Å
196	I	98.9	Very high	98.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-47	176.4	-67.1	171.5	0	0	0	110.6	V192 R194 Y198 L199 Q200 F232 Y236 Q331 F332 Y335	V192-I196 HydrophobicContact CG1-CD1 3.76Å; V192-I196 HydrophobicContact CG1-CG1 4.2Å; V192-I196 WeakPolarHBondContact O-CG1 3.39Å; V192-I196 PolarHBondContact O-N 3.5Å; R194-I196 PolarHBondContact O-N 3.3Å; I196-Y198 VanDerWaalsContact C-N 3.32Å; I196-Y198 PolarHBondContact O-N 3.38Å; I196-L199 PolarHBondContact O-N 3.09Å; I196-Q200 HydrophobicContact CG2-CG 4.26Å; I196-Q200 WeakPolarHBondContact O-CB 3.21Å; I196-Q200 WeakPolarHBondContact O-CG 3.42Å; I196-Q200 PolarHBondContact O-N 2.69Å; I196-F232 HydrophobicContact CG2-CE1 4.08Å; I196-F232 HydrophobicContact CG2-CE2 3.92Å; I196-F232 HydrophobicContact CG2-CZ 3.33Å; I196-Y236 HydrophobicContact CG1-CD2 3.95Å; I196-Y236 HydrophobicContact CG1-CE2 4Å; I196-Q331 HydrophobicContact CD1-CB 4.49Å; I196-F332 HydrophobicContact CD1-CD1 4.11Å; I196-F332 HydrophobicContact CD1-CE1 4.13Å; I196-F332 HydrophobicContact CG1-CE1 4.39Å; I196-Y335 HydrophobicContact CB-CD2 4.23Å; I196-Y335 HydrophobicContact CG2-CD1 4.01Å; I196-Y335 HydrophobicContact CG2-CD2 3.47Å; I196-Y335 VanDerWaalsContact CG2-CD2 3.47Å; I196-Y335 HydrophobicContact CG2-CE1 4.19Å; I196-Y335 HydrophobicContact CG2-CE2 3.71Å; I196-Y335 HydrophobicContact CG2-CG 3.61Å
197	T	98.8	Very high	98.4	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-42.5	179.1	-57	0	0	0	0	111.2	Q193 R194 Q200 N201	Q193-T197 WeakPolarHBondContact O-CB 3.26Å; Q193-T197 PolarHBondContact O-N 2.74Å; Q193-T197 PolarHBondContact O-OG1 2.89Å; R194-T197 PolarHBondContact O-N 3.42Å; T197-Q200 PolarHBondContact O-N 3.42Å; T197-N201 WeakPolarHBondContact O-CB 3.48Å; T197-N201 PolarHBondContact O-N 3.05Å; T197-N201 VanDerWaalsContact O-N 3.13Å; T197-N201 PolarHBondContact O-ND2 2.94Å
198	Y	98.7	Very high	98.4	Very high	106 Å²	106	49.8 Å²	49.8	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-50.2	175.1	171.5	-95.6	0	0	0	111.8	R194 R195 I196 Q200 N201 Y571 E573 A574	R194-Y198 WeakPolarHBondContact O-CB 3.5Å; R194-Y198 PolarHBondContact O-N 3.2Å; R195-Y198 PolarHBondContact O-N 3.43Å; I196-Y198 VanDerWaalsContact C-N 3.32Å; I196-Y198 PolarHBondContact O-N 3.38Å; Y198-Q200 VanDerWaalsContact C-N 3.31Å; Y198-Q200 PolarHBondContact O-N 2.94Å; Y198-N201 PolarHBondContact O-N 2.92Å; Y198-Y571 AromaticContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CG 4.41Å; Y198-Y571 AromaticContact CE1-CD1 3.99Å; Y198-Y571 HydrophobicContact CE1-CD1 3.99Å; Y198-E573 HydrophobicContact CE1-CB 4.22Å; Y198-E573 HydrophobicContact CE2-CB 3.77Å; Y198-E573 WeakPolarHBondContact OH-CB 3.47Å; Y198-A574 HydrophobicContact CD1-CB 4.41Å; Y198-A574 HydrophobicContact CD2-CB 4.37Å; Y198-A574 HydrophobicContact CG-CB 3.88Å
199	L	98.8	Very high	98.3	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-42.1	178	173.4	66.2	0	0	0	112.3	R195 I196 N201 Y236 T241 Y571	R195-L199 PolarHBondContact O-N 3.48Å; I196-L199 PolarHBondContact O-N 3.09Å; L199-N201 VanDerWaalsContact C-N 3.3Å; L199-N201 PolarHBondContact O-N 3.03Å; L199-Y236 HydrophobicContact CD2-CD2 4.02Å; L199-Y236 HydrophobicContact CD2-CG 4.34Å; L199-T241 PolarHBondContact O-OG1 2.83Å; L199-Y571 HydrophobicContact CB-CE1 4.27Å; L199-Y571 HydrophobicContact CD1-CE1 3.94Å
200	Q	98.7	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.9	-20.9	-176.2	-75.7	-57.6	101.9	0	0	113.3	I196 T197 Y198 P202 F232 L242 V263 S264 Y335	I196-Q200 HydrophobicContact CG2-CG 4.26Å; I196-Q200 WeakPolarHBondContact O-CB 3.21Å; I196-Q200 WeakPolarHBondContact O-CG 3.42Å; I196-Q200 PolarHBondContact O-N 2.69Å; T197-Q200 PolarHBondContact O-N 3.42Å; Y198-Q200 VanDerWaalsContact C-N 3.31Å; Y198-Q200 PolarHBondContact O-N 2.94Å; Q200-P202 WeakPolarHBondContact O-CD 3.22Å; Q200-F232 HydrophobicContact CG-CE2 3.76Å; Q200-F232 HydrophobicContact CG-CZ 3.58Å; Q200-L242 PolarHBondContact NE2-O 3.46Å; Q200-L242 VanDerWaalsContact NE2-O 3.1Å; Q200-V263 WeakPolarHBondContact CB-O 3.29Å; Q200-V263 WeakPolarHBondContact CG-O 3.45Å; Q200-V263 PolarHBondContact NE2-O 3.01Å; Q200-S264 WeakPolarHBondContact O-CB 3.49Å; Q200-S264 PolarHBondContact O-OG 2.98Å; Q200-Y335 WeakPolarHBondContact CB-OH 3.48Å; Q200-Y335 HydrophobicContact CG-CE1 4.03Å
201	N	98.4	Very high	98.3	Very high	37 Å²	37	50.2 Å²	50.2	20%	0.198	24%	0.241	C	C	.	.			trans	-119.5	66.6	-172.5	-62.5	-78.2	0	0	0	112.2	T197 Y198 L199 E265 T266	T197-N201 WeakPolarHBondContact O-CB 3.48Å; T197-N201 PolarHBondContact O-N 3.05Å; T197-N201 VanDerWaalsContact O-N 3.13Å; T197-N201 PolarHBondContact O-ND2 2.94Å; Y198-N201 PolarHBondContact O-N 2.92Å; L199-N201 VanDerWaalsContact C-N 3.3Å; L199-N201 PolarHBondContact O-N 3.03Å; N201-E265 WeakPolarHBondContact OD1-CB 3.26Å; N201-E265 PolarHBondContact OD1-N 3.39Å; N201-T266 VanDerWaalsContact C-OG1 3.22Å; N201-T266 WeakPolarHBondContact CA-OG1 3.41Å; N201-T266 HydrophobicContact CB-CG2 4.11Å; N201-T266 PolarHBondContact OD1-N 2.97Å
202	P	98.1	Very high	98.4	Very high	26 Å²	26	49.6 Å²	49.6	17%	0.169	24%	0.238	C	C	.	.			trans	-64.4	149.6	176.1	30.1	-35.7	0	0	0	110.9	Q200 D204 A208 T266 C267	Q200-P202 WeakPolarHBondContact O-CD 3.22Å; P202-D204 VanDerWaalsContact C-N 3.33Å; P202-D204 PolarHBondContact O-N 3.08Å; P202-A208 HydrophobicContact CB-CB 3.85Å; P202-A208 HydrophobicContact CG-CB 3.65Å; P202-T266 PolarHBondContact O-OG1 2.91Å; P202-C267 HydrophobicContact CG-CB 3.64Å
203	K	96.9	Very high	98.3	Very high	225 Å²	225	49.6 Å²	49.6	98%	0.978	24%	0.238	S	C	*	.	S	Bend	trans	-65.5	-34.2	178.4	-65	-175.6	179.9	179.9	0	113.3
204	D	97.4	Very high	98.3	Very high	61 Å²	61	51.7 Å²	51.7	33%	0.326	25%	0.25	S	C	.	.			trans	-129.8	96.4	-179.2	-175.3	-10.2	0	0	0	109.2	P202 S206 K207 A208	P202-D204 VanDerWaalsContact C-N 3.33Å; P202-D204 PolarHBondContact O-N 3.08Å; D204-S206 PolarHBondContact O-N 3.28Å; D204-S206 WeakPolarHBondContact OD1-CB 3.28Å; D204-S206 PolarHBondContact OD1-N 2.98Å; D204-S206 VanDerWaalsContact OD1-N 3.12Å; D204-S206 PolarHBondContact OD1-OG 2.97Å; D204-K207 PolarHBondContact O-N 3.31Å; D204-K207 VanDerWaalsContact OD2-CD 3.28Å; D204-K207 WeakPolarHBondContact OD2-CD 3.48Å; D204-K207 VanDerWaalsContact OD2-CE 3.28Å; D204-K207 WeakPolarHBondContact OD2-CE 3.39Å; D204-K207 IonicContact OD2-NZ 3.22Å; D204-K207 PolarHBondContact OD2-NZ 3.39Å; D204-A208 PolarHBondContact O-N 3.39Å
205	C	97.9	Very high	98.3	Very high	24 Å²	24	46.6 Å²	46.6	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.1	-178.8	-175.6	0	0	0	0	112.7	K207 A208 K210 C267	C205-K207 PolarHBondContact O-N 3.08Å; C205-A208 PolarHBondContact O-N 3.33Å; C205-K210 WeakPolarHBondContact O-CE 3.3Å; C205-K210 PolarHBondContact O-NZ 3.27Å; C205-K210 PolarHBondContact SG-NZ 3.5Å; C205-C267 WeakPolarHBondContact CA-SG 3.45Å; C205-C267 HydrophobicContact CB-CB 3.51Å; C205-C267 WeakPolarHBondContact CB-SG 3.42Å; C205-C267 WeakPolarHBondContact SG-CA 3.23Å; C205-C267 WeakPolarHBondContact SG-CB 3.33Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 2.68Å
206	S	97.5	Very high	98.1	Very high	69 Å²	69	48.2 Å²	48.2	48%	0.483	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.1	-178.9	75.2	0	0	0	0	113	D204 Q288	D204-S206 PolarHBondContact O-N 3.28Å; D204-S206 WeakPolarHBondContact OD1-CB 3.28Å; D204-S206 PolarHBondContact OD1-N 2.98Å; D204-S206 VanDerWaalsContact OD1-N 3.12Å; D204-S206 PolarHBondContact OD1-OG 2.97Å; S206-Q288 PolarHBondContact O-NE2 3.41Å
207	K	97.4	Very high	97.9	Very high	156 Å²	156	50 Å²	50	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-9	-179.5	-64.1	179.9	-168.1	135	0	113.9	D204 C205	D204-K207 PolarHBondContact O-N 3.31Å; D204-K207 VanDerWaalsContact OD2-CD 3.28Å; D204-K207 WeakPolarHBondContact OD2-CD 3.48Å; D204-K207 VanDerWaalsContact OD2-CE 3.28Å; D204-K207 WeakPolarHBondContact OD2-CE 3.39Å; D204-K207 IonicContact OD2-NZ 3.22Å; D204-K207 PolarHBondContact OD2-NZ 3.39Å; C205-K207 PolarHBondContact O-N 3.08Å
208	A	98.1	Very high	97.7	Very high	12 Å²	12	50.5 Å²	50.5	10%	0.099	27%	0.266	C	S	.	.	S	Bend	trans	-61.8	143.8	178.5	0	0	0	0	0	110.8	P202 D204 C205 Q288	P202-A208 HydrophobicContact CB-CB 3.85Å; P202-A208 HydrophobicContact CG-CB 3.65Å; D204-A208 PolarHBondContact O-N 3.39Å; C205-A208 PolarHBondContact O-N 3.33Å; A208-Q288 VanDerWaalsContact O-CG 3.29Å; A208-Q288 WeakPolarHBondContact O-CG 3.29Å; A208-Q288 PolarHBondContact O-NE2 3.34Å
209	K	98.5	Very high	97.4	Very high	98 Å²	98	46.7 Å²	46.7	43%	0.426	25%	0.254	S	S	.	.			trans	-76.4	133.5	164.8	-65.8	-166.6	-178.2	-172.1	0	108.4	R240 T241 K285 Q288	K209-R240 HydrophobicContact CB-CG 4.02Å; K209-R240 CarbonylContact O-C 3.54Å; K209-R240 WeakPolarHBondContact O-CA 3.42Å; K209-T241 PolarHBondContact O-N 3.33Å; K209-K285 PolarHBondContact NZ-O 3.21Å; K209-Q288 CarbonylContact C-O 3.53Å; K209-Q288 WeakPolarHBondContact CA-O 3.38Å
210	K	98.8	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.3	-170.7	-57.2	176.3	-170.9	-178.8	0	110.6	C205 R240 T241 I243 D269 S271 Q288 V289 V290	C205-K210 WeakPolarHBondContact O-CE 3.3Å; C205-K210 PolarHBondContact O-NZ 3.27Å; C205-K210 PolarHBondContact SG-NZ 3.5Å; K210-R240 PolarHBondContact O-NH1 2.75Å; K210-T241 WeakPolarHBondContact CA-O 3.28Å; K210-I243 HydrophobicContact CB-CG1 3.93Å; K210-I243 HydrophobicContact CD-CD1 4.28Å; K210-I243 HydrophobicContact CD-CG1 4.04Å; K210-I243 HydrophobicContact CG-CD1 4.48Å; K210-I243 HydrophobicContact CG-CG1 4.14Å; K210-D269 WeakPolarHBondContact CD-O 3.5Å; K210-D269 WeakPolarHBondContact CE-O 3.17Å; K210-D269 PolarHBondContact NZ-O 2.69Å; K210-D269 IonicContact NZ-OD1 2.95Å; K210-S271 WeakPolarHBondContact CE-O 3.46Å; K210-S271 PolarHBondContact NZ-O 3.3Å; K210-Q288 PolarHBondContact N-O 3.43Å; K210-V289 HydrophobicContact CB-CG1 4.29Å; K210-V289 HydrophobicContact CB-CG2 4.24Å; K210-V289 HydrophobicContact CD-CG2 4.17Å; K210-V290 PolarHBondContact O-N 3.07Å
211	L	98.8	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.9	168.2	-173.6	150.5	0	0	0	107.9	C231 I234 A235 R240 T241 L242 I243 V290 L292	L211-C231 HydrophobicContact CD2-CB 4.29Å; L211-I234 HydrophobicContact CD1-CB 4.4Å; L211-I234 HydrophobicContact CD1-CG2 3.76Å; L211-A235 HydrophobicContact CB-CB 4.06Å; L211-A235 HydrophobicContact CD1-CB 4.25Å; L211-A235 HydrophobicContact CD2-CB 4.35Å; L211-A235 HydrophobicContact CG-CB 4.46Å; L211-R240 HydrophobicContact CB-CB 3.82Å; L211-T241 PolarHBondContact N-O 3.12Å; L211-L242 HydrophobicContact CD2-CD1 4.04Å; L211-I243 PolarHBondContact O-N 3.29Å; L211-V290 CarbonylContact C-O 3.44Å; L211-V290 WeakPolarHBondContact CA-O 3.42Å; L211-L292 HydrophobicContact CD1-CB 4.41Å; L211-L292 HydrophobicContact CD1-CD1 4.49Å; L211-L292 HydrophobicContact CD1-CD2 4.27Å; L211-L292 HydrophobicContact CD2-CB 3.75Å; L211-L292 HydrophobicContact CD2-CD2 3.92Å; L211-L292 HydrophobicContact CD2-CG 4.43Å; L211-L292 HydrophobicContact CG-CB 4.14Å
212	V	98.8	Very high	96.9	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.8	-178.7	-177.9	0	0	0	0	109	I243 E245 R270 V289 V290 E291 L292	V212-I243 WeakPolarHBondContact CA-O 3.43Å; V212-I243 HydrophobicContact CG2-CB 4.31Å; V212-E245 HydrophobicContact CG1-CG 3.86Å; V212-R270 HydrophobicContact CG2-CB 4.23Å; V212-V289 HydrophobicContact CG2-CG1 3.49Å; V212-V289 VanDerWaalsContact CG2-CG1 3.49Å; V212-V290 PolarHBondContact N-O 3.35Å; V212-E291 HydrophobicContact CB-CG 4.25Å; V212-L292 PolarHBondContact O-N 3.33Å
213	C	98.6	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.6	176.1	-174.2	0	0	0	0	109.5	C231 L242 I243 E245	C213-C231 HydrophobicContact CB-CB 3.43Å; C213-C231 VanDerWaalsContact CB-CB 3.43Å; C213-C231 WeakPolarHBondContact CB-SG 3.36Å; C213-C231 WeakPolarHBondContact SG-CB 3.35Å; C213-C231 CovalentContact SG-SG 2.04Å; C213-C231 PolarHBondContact SG-SG 2.92Å; C213-L242 HydrophobicContact CB-CD1 3.73Å; C213-I243 PolarHBondContact N-O 2.94Å; C213-E245 PolarHBondContact O-N 2.76Å
214	N	98	Very high	96.9	Very high	67 Å²	67	35.4 Å²	35.4	36%	0.358	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	179	-166.8	-62	0	0	0	110.3	N216 H227 E245	N214-N216 PolarHBondContact O-N 2.9Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.44Å; N214-N216 PolarHBondContact OD1-N 2.91Å; N214-N216 PolarHBondContact OD1-ND2 3.03Å; N214-H227 PolarHBondContact O-CD2 3.23Å; N214-H227 VanDerWaalsContact O-CD2 3.24Å; N214-H227 PolarHBondContact O-NE2 3.06Å; N214-E245 PolarHBondContact ND2-OE2 2.9Å
215	I	97.5	Very high	96.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.196	C	C	.	.	S	Bend	trans	-66.9	-19.2	-174.6	-162.6	167.8	0	0	0	113.6	K217 Q224 V228 L244 E245 W249 W256	I215-K217 PolarHBondContact O-N 2.82Å; I215-Q224 HydrophobicContact CG1-CB 4.34Å; I215-V228 HydrophobicContact CB-CG2 4.45Å; I215-V228 HydrophobicContact CD1-CG2 4.3Å; I215-V228 HydrophobicContact CG1-CG2 3.94Å; I215-L244 HydrophobicContact CB-CD1 4.22Å; I215-E245 PolarHBondContact N-O 3.4Å; I215-W249 HydrophobicContact CD1-CD2 4.12Å; I215-W249 HydrophobicContact CD1-CG 4.46Å; I215-W249 HydrophobicContact CD1-CZ2 3.99Å; I215-W249 HydrophobicContact CG2-CB 4.08Å; I215-W249 HydrophobicContact CG2-CG 3.95Å; I215-W256 HydrophobicContact CD1-CE3 3.64Å; I215-W256 HydrophobicContact CD1-CZ3 4Å
216	N	96.1	Very high	97	Very high	51 Å²	51	32 Å²	32	27%	0.273	19%	0.19	S	C	.	.			trans	-77.3	37.5	-166.3	-67.6	-54.2	0	0	0	115	N214 Q247 N248 W249	N214-N216 PolarHBondContact O-N 2.9Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.44Å; N214-N216 PolarHBondContact OD1-N 2.91Å; N214-N216 PolarHBondContact OD1-ND2 3.03Å; N216-Q247 PolarHBondContact ND2-O 3.01Å; N216-N248 PolarHBondContact OD1-O 3.46Å; N216-W249 VanDerWaalsContact OD1-CA 3.28Å; N216-W249 WeakPolarHBondContact OD1-CA 3.37Å
217	K	94.9	Very high	97	Very high	38 Å²	38	29.1 Å²	29.1	17%	0.165	17%	0.169	C	C	.	.			trans	-57.1	142.2	168.9	-171.5	172.8	-173.7	-179.8	0	110.4	I215 C219 Q224 H227 R250 I294 D296	I215-K217 PolarHBondContact O-N 2.82Å; K217-C219 PolarHBondContact O-N 3.16Å; K217-Q224 HydrophobicContact CB-CG 4.47Å; K217-Q224 PolarHBondContact O-NE2 3.41Å; K217-H227 HydrophobicContact CB-CB 4.48Å; K217-H227 HydrophobicContact CD-CB 4.05Å; K217-R250 PolarHBondContact O-NH2 3.15Å; K217-R250 VanDerWaalsContact O-NH2 3.13Å; K217-I294 HydrophobicContact CB-CG2 4.29Å; K217-I294 HydrophobicContact CD-CB 4.39Å; K217-I294 HydrophobicContact CD-CG2 3.96Å; K217-I294 HydrophobicContact CG-CG2 3.94Å; K217-D296 WeakPolarHBondContact CE-OD2 3.21Å; K217-D296 IonicContact NZ-OD2 2.66Å; K217-D296 PolarHBondContact NZ-OD2 2.7Å
218	G	93.4	Very high	97.1	Very high	72 Å²	72	21.7 Å²	21.7	74%	0.742	14%	0.137	S	C	*	.	S	Bend	trans	-65	45.1	-178.1	0	0	0	0	0	116.8
219	C	92.9	Very high	97.1	Very high	26 Å²	26	21.1 Å²	21.1	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-149.1	-175.6	-176.1	58	0	0	0	0	112.7	K217 C223 R250	K217-C219 PolarHBondContact O-N 3.16Å; C219-C223 HydrophobicContact CB-CB 3.61Å; C219-C223 WeakPolarHBondContact CB-SG 3.36Å; C219-C223 WeakPolarHBondContact SG-CB 3.24Å; C219-C223 CovalentContact SG-SG 2.03Å; C219-C223 PolarHBondContact SG-SG 3.07Å; C219-R250 PolarHBondContact O-NH1 3.13Å
220	G	92.6	Very high	97.1	Very high	25 Å²	25	16.6 Å²	16.6	26%	0.258	11%	0.113	S	C	.	.			trans	-79.3	175.9	178.2	0	0	0	0	0	114.1	G222 C223 Q224 Y251	G220-G222 PolarHBondContact O-N 3.5Å; G220-C223 PolarHBondContact O-N 3.22Å; G220-C223 VanDerWaalsContact O-N 3.15Å; G220-Q224 PolarHBondContact O-N 3.47Å; G220-Y251 VanDerWaalsContact CA-OH 3.29Å; G220-Y251 WeakPolarHBondContact CA-OH 3.48Å
221	Y	95.9	Very high	97.1	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.047	11%	0.113	C	C	.	.	H	α-helix	trans	-50	-55.2	-172.5	171.9	-103.1	0	0	0	113.8	C223 Q224 L225 W249 Y251 F260 L448 V451 I452 I455	Y221-C223 VanDerWaalsContact C-N 3.3Å; Y221-C223 PolarHBondContact O-N 3.28Å; Y221-Q224 PolarHBondContact O-N 3.49Å; Y221-L225 HydrophobicContact CE1-CD2 4.39Å; Y221-L225 PolarHBondContact O-N 2.88Å; Y221-W249 HydrophobicContact CD2-CH2 4.31Å; Y221-W249 HydrophobicContact CD2-CZ2 4Å; Y221-W249 HydrophobicContact CE2-CH2 4.26Å; Y221-W249 HydrophobicContact CE2-CZ2 4.32Å; Y221-Y251 PolarHBondContact N-OH 2.88Å; Y221-F260 HydrophobicContact CE2-CE2 4.39Å; Y221-F260 WeakPolarHBondContact OH-CE2 3.35Å; Y221-F260 WeakPolarHBondContact OH-CZ 3.47Å; Y221-L448 HydrophobicContact CD2-CD1 3.51Å; Y221-L448 HydrophobicContact CE2-CD1 3.75Å; Y221-L448 HydrophobicContact CG-CD1 4.31Å; Y221-V451 HydrophobicContact CD1-CG1 3.94Å; Y221-V451 HydrophobicContact CD1-CG2 4.23Å; Y221-V451 HydrophobicContact CG-CG1 4Å; Y221-I452 HydrophobicContact CE1-CG1 4.46Å; Y221-I452 HydrophobicContact CE2-CG1 4.4Å; Y221-I455 HydrophobicContact CD1-CD1 3.81Å; Y221-I455 HydrophobicContact CE1-CD1 3.58Å
222	G	96.6	Very high	97.1	Very high	4 Å²	4	16.6 Å²	16.6	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-39.5	-178.2	0	0	0	0	0	113	G220 L225 H226	G220-G222 PolarHBondContact O-N 3.5Å; G222-L225 PolarHBondContact O-N 2.9Å; G222-H226 PolarHBondContact O-N 3.46Å
223	C	96.6	Very high	97.1	Very high	22 Å²	22	16.4 Å²	16.4	15%	0.149	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-37	174.9	165.3	0	0	0	0	112.7	C219 G220 Y221 H227 Q471	C219-C223 HydrophobicContact CB-CB 3.61Å; C219-C223 WeakPolarHBondContact CB-SG 3.36Å; C219-C223 WeakPolarHBondContact SG-CB 3.24Å; C219-C223 CovalentContact SG-SG 2.03Å; C219-C223 PolarHBondContact SG-SG 3.07Å; G220-C223 PolarHBondContact O-N 3.22Å; G220-C223 VanDerWaalsContact O-N 3.15Å; Y221-C223 VanDerWaalsContact C-N 3.3Å; Y221-C223 PolarHBondContact O-N 3.28Å; C223-H227 PolarHBondContact O-N 3.1Å; C223-Q471 HydrophobicContact CB-CG 4.11Å
224	Q	98.1	Very high	97.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-68.5	-40.6	174.4	-70.2	-179.5	-31	0	0	111.7	I215 K217 G220 Y221 H227 V228 R250	I215-Q224 HydrophobicContact CG1-CB 4.34Å; K217-Q224 HydrophobicContact CB-CG 4.47Å; K217-Q224 PolarHBondContact O-NE2 3.41Å; G220-Q224 PolarHBondContact O-N 3.47Å; Y221-Q224 PolarHBondContact O-N 3.49Å; Q224-H227 WeakPolarHBondContact O-CB 3.45Å; Q224-H227 PolarHBondContact O-N 3.14Å; Q224-H227 VanDerWaalsContact O-N 3.16Å; Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.02Å; Q224-R250 VanDerWaalsContact NE2-NE 3.14Å
225	L	98.6	Very high	97.2	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-46.1	174	-179.1	61.9	0	0	0	111.1	Y221 G222 H227 V228 V229 W256 L336 I337 V475	Y221-L225 HydrophobicContact CE1-CD2 4.39Å; Y221-L225 PolarHBondContact O-N 2.88Å; G222-L225 PolarHBondContact O-N 2.9Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.4Å; L225-V228 PolarHBondContact O-N 3.21Å; L225-V228 VanDerWaalsContact O-N 3.08Å; L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 3.28Å; L225-W256 HydrophobicContact CD1-CH2 3.89Å; L225-W256 HydrophobicContact CD1-CZ3 4.42Å; L225-L336 HydrophobicContact CD1-CB 4.4Å; L225-L336 HydrophobicContact CD1-CD1 4.24Å; L225-I337 HydrophobicContact CD1-CG2 4.3Å; L225-I337 HydrophobicContact CD2-CG2 4.2Å; L225-V475 HydrophobicContact CD2-CG1 3.62Å; L225-V475 HydrophobicContact CD2-CG2 4.08Å
226	H	98.8	Very high	97.3	Very high	11 Å²	11	13.1 Å²	13.1	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-35.1	173.4	-73.7	159.9	0	0	0	112.6	G222 V229 Y230 E478 F500	G222-H226 PolarHBondContact O-N 3.46Å; H226-V229 PolarHBondContact O-N 3.33Å; H226-Y230 WeakPolarHBondContact O-CB 3.38Å; H226-Y230 PolarHBondContact O-N 2.92Å; H226-E478 IonicContact CD2-OE1 2.81Å; H226-E478 IonicContact CD2-OE2 3.57Å; H226-E478 PolarHBondContact CD2-OE2 3.35Å; H226-E478 IonicContact CE1-OE1 3.88Å; H226-E478 IonicContact CE1-OE2 3.09Å; H226-E478 VanDerWaalsContact NE2-CD 3.28Å; H226-E478 IonicContact NE2-OE1 2.83Å; H226-E478 PolarHBondContact NE2-OE1 2.81Å; H226-E478 IonicContact NE2-OE2 2.77Å; H226-E478 PolarHBondContact NE2-OE2 2.92Å; H226-F500 HydrophobicContact CB-CE2 4.06Å; H226-F500 HydrophobicContact CB-CZ 4.03Å; H226-F500 AromaticContact CD2-CE2 3.72Å; H226-F500 AromaticContact CG-CE2 3.99Å; H226-F500 VanDerWaalsContact O-CZ 3.3Å; H226-F500 WeakPolarHBondContact O-CZ 3.28Å
227	H	98.6	Very high	97.4	Very high	9 Å²	9	10.8 Å²	10.8	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-44.9	171.9	176.1	45.9	0	0	0	111.9	N214 K217 C223 Q224 L225 Y230 C231	N214-H227 PolarHBondContact O-CD2 3.23Å; N214-H227 VanDerWaalsContact O-CD2 3.24Å; N214-H227 PolarHBondContact O-NE2 3.06Å; K217-H227 HydrophobicContact CB-CB 4.48Å; K217-H227 HydrophobicContact CD-CB 4.05Å; C223-H227 PolarHBondContact O-N 3.1Å; Q224-H227 WeakPolarHBondContact O-CB 3.45Å; Q224-H227 PolarHBondContact O-N 3.14Å; Q224-H227 VanDerWaalsContact O-N 3.16Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.4Å; H227-Y230 AromaticContact ND1-CD1 3.68Å; H227-Y230 WeakPolarHBondContact O-CB 3.31Å; H227-Y230 WeakPolarHBondContact O-CD1 3.48Å; H227-Y230 PolarHBondContact O-N 3.23Å; H227-C231 VanDerWaalsContact CE1-SG 3.58Å; H227-C231 PolarHBondContact O-N 3.25Å; H227-C231 PolarHBondContact O-SG 2.85Å
228	V	98.8	Very high	97.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-40.1	177	-176.7	0	0	0	0	111.3	I215 Q224 L225 Y230 C231 F232 L242 L244 L336	I215-V228 HydrophobicContact CB-CG2 4.45Å; I215-V228 HydrophobicContact CD1-CG2 4.3Å; I215-V228 HydrophobicContact CG1-CG2 3.94Å; Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.02Å; L225-V228 PolarHBondContact O-N 3.21Å; L225-V228 VanDerWaalsContact O-N 3.08Å; V228-Y230 PolarHBondContact O-N 2.97Å; V228-C231 WeakPolarHBondContact O-CB 3.28Å; V228-C231 PolarHBondContact O-N 3.05Å; V228-F232 WeakPolarHBondContact O-CB 3.31Å; V228-F232 PolarHBondContact O-N 3.2Å; V228-L242 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG1-CD1 4Å; V228-L244 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG2-CD1 3.8Å; V228-L336 HydrophobicContact CB-CD1 4.21Å; V228-L336 HydrophobicContact CG1-CD1 3.75Å; V228-L336 HydrophobicContact CG1-CD2 3.7Å; V228-L336 HydrophobicContact CG1-CG 4.39Å
229	V	98.9	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.7	-46.9	174.3	170.6	0	0	0	0	111.3	L225 H226 C231 F232 M233 V329 F332 V333 L336 F500	L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 3.28Å; H226-V229 PolarHBondContact O-N 3.33Å; V229-C231 PolarHBondContact O-N 3.37Å; V229-F232 WeakPolarHBondContact O-CB 3.48Å; V229-F232 PolarHBondContact O-N 2.75Å; V229-F232 VanDerWaalsContact O-N 3.11Å; V229-M233 HydrophobicContact CG1-CG 4.44Å; V229-M233 HydrophobicContact CG1-SD 4.19Å; V229-M233 WeakPolarHBondContact O-CG 3.48Å; V229-M233 PolarHBondContact O-N 2.9Å; V229-V329 HydrophobicContact CG1-CG1 4.04Å; V229-F332 HydrophobicContact CG1-CB 4.01Å; V229-V333 HydrophobicContact CG2-CG2 3.65Å; V229-L336 HydrophobicContact CG2-CD1 3.68Å; V229-F500 HydrophobicContact CB-CE2 4.35Å; V229-F500 HydrophobicContact CB-CZ 4.32Å; V229-F500 HydrophobicContact CG1-CE2 3.94Å; V229-F500 HydrophobicContact CG1-CZ 4.11Å
230	Y	98.6	Very high	98.1	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-56.6	-47.3	175.1	146.9	-93.6	0	0	0	111.9	H226 H227 V228 F232 M233 I234 L292 P293 V295 L298 L305	H226-Y230 WeakPolarHBondContact O-CB 3.38Å; H226-Y230 PolarHBondContact O-N 2.92Å; H227-Y230 AromaticContact ND1-CD1 3.68Å; H227-Y230 WeakPolarHBondContact O-CB 3.31Å; H227-Y230 WeakPolarHBondContact O-CD1 3.48Å; H227-Y230 PolarHBondContact O-N 3.23Å; V228-Y230 PolarHBondContact O-N 2.97Å; Y230-F232 VanDerWaalsContact C-N 3.26Å; Y230-F232 PolarHBondContact O-N 2.85Å; Y230-M233 PolarHBondContact O-N 2.99Å; Y230-I234 HydrophobicContact CD2-CD1 3.89Å; Y230-I234 HydrophobicContact CE1-CD1 4.46Å; Y230-I234 HydrophobicContact CE2-CD1 3.25Å; Y230-I234 HydrophobicContact CE2-CG1 4.42Å; Y230-I234 PolarHBondContact O-N 3.16Å; Y230-L292 HydrophobicContact CD1-CD2 4.37Å; Y230-L292 HydrophobicContact CE1-CD2 3.58Å; Y230-L292 HydrophobicContact CE1-CG 4.19Å; Y230-P293 WeakPolarHBondContact CE1-O 3.28Å; Y230-P293 PolarHBondContact OH-O 3.39Å; Y230-V295 HydrophobicContact CD1-CB 4.49Å; Y230-V295 HydrophobicContact CD2-CB 4.04Å; Y230-V295 HydrophobicContact CD2-CG2 4.01Å; Y230-V295 HydrophobicContact CE1-CB 4.3Å; Y230-V295 HydrophobicContact CE2-CB 3.79Å; Y230-V295 HydrophobicContact CE2-CG2 3.74Å; Y230-V295 HydrophobicContact CG-CB 4.37Å; Y230-L298 HydrophobicContact CE2-CD2 3.7Å; Y230-L298 VanDerWaalsContact OH-CD1 3.28Å; Y230-L298 WeakPolarHBondContact OH-CD1 3.41Å; Y230-L298 WeakPolarHBondContact OH-CD2 3.21Å; Y230-L298 WeakPolarHBondContact OH-CG 3.45Å; Y230-L305 HydrophobicContact CD2-CD2 3.56Å; Y230-L305 HydrophobicContact CE2-CD2 3.61Å
231	C	98.8	Very high	98.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.3	-42	176.2	-70.2	0	0	0	0	111.2	L211 C213 H227 V228 V229 I234 A235 L242 L292	L211-C231 HydrophobicContact CD2-CB 4.29Å; C213-C231 HydrophobicContact CB-CB 3.43Å; C213-C231 VanDerWaalsContact CB-CB 3.43Å; C213-C231 WeakPolarHBondContact CB-SG 3.36Å; C213-C231 WeakPolarHBondContact SG-CB 3.35Å; C213-C231 CovalentContact SG-SG 2.04Å; C213-C231 PolarHBondContact SG-SG 2.92Å; H227-C231 VanDerWaalsContact CE1-SG 3.58Å; H227-C231 PolarHBondContact O-N 3.25Å; H227-C231 PolarHBondContact O-SG 2.85Å; V228-C231 WeakPolarHBondContact O-CB 3.28Å; V228-C231 PolarHBondContact O-N 3.05Å; V229-C231 PolarHBondContact O-N 3.37Å; C231-I234 PolarHBondContact O-N 2.77Å; C231-A235 WeakPolarHBondContact O-CB 3.25Å; C231-A235 PolarHBondContact O-N 3.43Å; C231-L242 HydrophobicContact CB-CD1 3.94Å; C231-L292 HydrophobicContact CB-CD2 4.12Å
232	F	98.9	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.6	-39.3	-177	-152.2	170.4	0	0	0	112.4	I196 Q200 V228 V229 Y230 I234 A235 Y236 L242 F332 Y335 L336	I196-F232 HydrophobicContact CG2-CE1 4.08Å; I196-F232 HydrophobicContact CG2-CE2 3.92Å; I196-F232 HydrophobicContact CG2-CZ 3.33Å; Q200-F232 HydrophobicContact CG-CE2 3.76Å; Q200-F232 HydrophobicContact CG-CZ 3.58Å; V228-F232 WeakPolarHBondContact O-CB 3.31Å; V228-F232 PolarHBondContact O-N 3.2Å; V229-F232 WeakPolarHBondContact O-CB 3.48Å; V229-F232 PolarHBondContact O-N 2.75Å; V229-F232 VanDerWaalsContact O-N 3.11Å; Y230-F232 VanDerWaalsContact C-N 3.26Å; Y230-F232 PolarHBondContact O-N 2.85Å; F232-I234 VanDerWaalsContact C-N 3.32Å; F232-I234 PolarHBondContact O-N 2.87Å; F232-A235 PolarHBondContact O-N 3.41Å; F232-Y236 VanDerWaalsContact O-CB 3.29Å; F232-Y236 WeakPolarHBondContact O-CB 3.38Å; F232-Y236 PolarHBondContact O-N 2.87Å; F232-L242 HydrophobicContact CB-CD2 3.83Å; F232-L242 HydrophobicContact CD1-CD2 3.92Å; F232-L242 HydrophobicContact CD2-CB 4.04Å; F232-L242 HydrophobicContact CD2-CD2 3.87Å; F232-L242 HydrophobicContact CE1-CD2 4.41Å; F232-L242 HydrophobicContact CE2-CB 4.21Å; F232-L242 HydrophobicContact CE2-CD2 4.37Å; F232-L242 HydrophobicContact CG-CD2 3.61Å; F232-F332 HydrophobicContact CB-CD1 3.84Å; F232-F332 HydrophobicContact CD1-CB 4.3Å; F232-F332 AromaticContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD2-CD1 4.06Å; F232-F332 HydrophobicContact CD2-CE1 4.3Å; F232-F332 HydrophobicContact CE1-CD1 4.4Å; F232-F332 AromaticContact CG-CD1 3.61Å; F232-F332 HydrophobicContact CG-CD1 3.61Å; F232-F332 HydrophobicContact CG-CE1 4.28Å; F232-Y335 AromaticContact CE1-CD1 3.5Å; F232-Y335 HydrophobicContact CE1-CD1 3.5Å; F232-Y335 VanDerWaalsContact CE1-CD1 3.5Å; F232-Y335 HydrophobicContact CE1-CE1 4.08Å; F232-Y335 HydrophobicContact CE1-CG 4.16Å; F232-Y335 AromaticContact CZ-CD1 3.73Å; F232-Y335 HydrophobicContact CZ-CD1 3.73Å; F232-Y335 AromaticContact CZ-CE1 3.9Å; F232-Y335 HydrophobicContact CZ-CE1 3.9Å; F232-Y335 HydrophobicContact CZ-CG 4.37Å; F232-L336 HydrophobicContact CD1-CD1 4.18Å; F232-L336 HydrophobicContact CD1-CD2 3.8Å; F232-L336 HydrophobicContact CD1-CG 3.88Å; F232-L336 HydrophobicContact CE1-CD2 3.97Å; F232-L336 HydrophobicContact CE1-CG 4.16Å
233	M	98.8	Very high	98.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.9	-41.3	174.7	-71.4	179.1	68.5	0	0	111.9	V229 Y230 G237 P306 V329 F332	V229-M233 HydrophobicContact CG1-CG 4.44Å; V229-M233 HydrophobicContact CG1-SD 4.19Å; V229-M233 WeakPolarHBondContact O-CG 3.48Å; V229-M233 PolarHBondContact O-N 2.9Å; Y230-M233 PolarHBondContact O-N 2.99Å; M233-G237 PolarHBondContact O-N 3.24Å; M233-P306 HydrophobicContact CE-CG 3.71Å; M233-P306 HydrophobicContact SD-CG 3.69Å; M233-V329 HydrophobicContact SD-CG2 4.34Å; M233-F332 HydrophobicContact CG-CD1 4.42Å; M233-F332 HydrophobicContact CG-CD2 3.59Å; M233-F332 HydrophobicContact CG-CE1 4.36Å; M233-F332 HydrophobicContact CG-CE2 3.55Å; M233-F332 HydrophobicContact CG-CG 4.04Å; M233-F332 HydrophobicContact CG-CZ 3.95Å; M233-F332 HydrophobicContact SD-CD2 4.44Å
234	I	98.8	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.4	-41.9	175.8	-67	170.8	0	0	0	111	L211 Y230 C231 F232 Y236 G237 T238 W278 L292 L298 P302 L305	L211-I234 HydrophobicContact CD1-CB 4.4Å; L211-I234 HydrophobicContact CD1-CG2 3.76Å; Y230-I234 HydrophobicContact CD2-CD1 3.89Å; Y230-I234 HydrophobicContact CE1-CD1 4.46Å; Y230-I234 HydrophobicContact CE2-CD1 3.25Å; Y230-I234 HydrophobicContact CE2-CG1 4.42Å; Y230-I234 PolarHBondContact O-N 3.16Å; C231-I234 PolarHBondContact O-N 2.77Å; F232-I234 VanDerWaalsContact C-N 3.32Å; F232-I234 PolarHBondContact O-N 2.87Å; I234-Y236 VanDerWaalsContact C-N 3.27Å; I234-Y236 PolarHBondContact O-N 3.46Å; I234-G237 PolarHBondContact O-N 3Å; I234-T238 HydrophobicContact CG2-CG2 4.18Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 WeakPolarHBondContact O-CG2 3.49Å; I234-T238 PolarHBondContact O-N 3.08Å; I234-T238 PolarHBondContact O-OG1 3.24Å; I234-W278 HydrophobicContact CG2-CH2 4.34Å; I234-W278 HydrophobicContact CG2-CZ3 4.14Å; I234-L292 HydrophobicContact CB-CD2 4.27Å; I234-L292 HydrophobicContact CD1-CD1 4.26Å; I234-L292 HydrophobicContact CD1-CD2 3.82Å; I234-L292 HydrophobicContact CG2-CD1 4.38Å; I234-L292 HydrophobicContact CG2-CD2 4.41Å; I234-L298 HydrophobicContact CD1-CD2 4.07Å; I234-P302 HydrophobicContact CD1-CG 3.65Å; I234-P302 HydrophobicContact CG1-CG 3.79Å; I234-P302 HydrophobicContact CG2-CG 4.23Å; I234-L305 HydrophobicContact CD1-CD2 3.97Å; I234-L305 HydrophobicContact CG1-CD2 4.25Å
235	A	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.6	-43.6	175.3	0	0	0	0	0	110.8	L211 C231 F232 T238 Q239 R240 L242	L211-A235 HydrophobicContact CB-CB 4.06Å; L211-A235 HydrophobicContact CD1-CB 4.25Å; L211-A235 HydrophobicContact CD2-CB 4.35Å; L211-A235 HydrophobicContact CG-CB 4.46Å; C231-A235 WeakPolarHBondContact O-CB 3.25Å; C231-A235 PolarHBondContact O-N 3.43Å; F232-A235 PolarHBondContact O-N 3.41Å; A235-T238 PolarHBondContact O-N 3.47Å; A235-T238 PolarHBondContact O-OG1 3.1Å; A235-Q239 PolarHBondContact O-N 3.06Å; A235-Q239 VanDerWaalsContact O-N 3.08Å; A235-R240 CarbonylContact C-O 3.55Å; A235-R240 WeakPolarHBondContact CB-O 3.1Å; A235-R240 PolarHBondContact O-N 3.48Å; A235-L242 HydrophobicContact CB-CB 4.11Å; A235-L242 HydrophobicContact CB-CD1 4.47Å
236	Y	98.9	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.3	-41.1	174.6	-175.4	-78.3	0	0	0	112.9	R195 I196 L199 F232 I234 W328 F332 Y568 P569 Y571	R195-Y236 HydrophobicContact CB-CE2 4Å; R195-Y236 WeakPolarHBondContact CD-OH 3.36Å; I196-Y236 HydrophobicContact CG1-CD2 3.95Å; I196-Y236 HydrophobicContact CG1-CE2 4Å; L199-Y236 HydrophobicContact CD2-CD2 4.02Å; L199-Y236 HydrophobicContact CD2-CG 4.34Å; F232-Y236 VanDerWaalsContact O-CB 3.29Å; F232-Y236 WeakPolarHBondContact O-CB 3.38Å; F232-Y236 PolarHBondContact O-N 2.87Å; I234-Y236 VanDerWaalsContact C-N 3.27Å; I234-Y236 PolarHBondContact O-N 3.46Å; Y236-W328 HydrophobicContact CD1-CH2 4.12Å; Y236-W328 HydrophobicContact CD1-CZ2 4.07Å; Y236-W328 AromaticContact CE1-CH2 3.73Å; Y236-W328 HydrophobicContact CE1-CH2 3.73Å; Y236-W328 HydrophobicContact CE1-CZ2 4.04Å; Y236-W328 AromaticContact CZ-CH2 3.97Å; Y236-F332 HydrophobicContact CD1-CZ 4.4Å; Y236-F332 HydrophobicContact CD2-CE1 4.18Å; Y236-F332 HydrophobicContact CD2-CZ 4.36Å; Y236-F332 HydrophobicContact CG-CE1 4.04Å; Y236-F332 HydrophobicContact CG-CZ 4.02Å; Y236-Y568 AromaticContact CD1-CD1 3.6Å; Y236-Y568 HydrophobicContact CD1-CD1 3.6Å; Y236-Y568 HydrophobicContact CD1-CE1 4.08Å; Y236-Y568 AromaticContact CE1-CD1 3.91Å; Y236-Y568 HydrophobicContact CE1-CD1 3.91Å; Y236-Y568 HydrophobicContact CE1-CG 4.49Å; Y236-P569 PolarHBondContact OH-O 3.02Å; Y236-Y571 HydrophobicContact CD1-CE2 4.09Å; Y236-Y571 AromaticContact CD2-CE2 3.88Å; Y236-Y571 HydrophobicContact CD2-CE2 3.88Å; Y236-Y571 HydrophobicContact CE1-CD2 4.3Å; Y236-Y571 AromaticContact CE1-CE2 3.7Å; Y236-Y571 HydrophobicContact CE1-CE2 3.7Å; Y236-Y571 AromaticContact CE2-CD2 3.84Å; Y236-Y571 HydrophobicContact CE2-CD2 3.84Å; Y236-Y571 AromaticContact CE2-CE2 3.5Å; Y236-Y571 HydrophobicContact CE2-CE2 3.5Å; Y236-Y571 HydrophobicContact CG-CE2 4.15Å; Y236-Y571 AromaticContact CZ-CD2 3.64Å; Y236-Y571 AromaticContact CZ-CE2 3.38Å; Y236-Y571 PolarHBondContact O-OH 3.31Å; Y236-Y571 WeakPolarHBondContact OH-CD2 3.32Å
237	G	98.6	Very high	98.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-37.1	175.3	0	0	0	0	0	113.6	M233 I234 Y304 P569	M233-G237 PolarHBondContact O-N 3.24Å; I234-G237 PolarHBondContact O-N 3Å; G237-Y304 PolarHBondContact O-OH 2.99Å; G237-P569 WeakPolarHBondContact O-CD 3.18Å; G237-P569 WeakPolarHBondContact O-CG 3.28Å
238	T	98.6	Very high	98.2	Very high	16 Å²	16	25.1 Å²	25.1	10%	0.098	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.3	-174.5	58.1	0	0	0	0	114.2	I234 A235 R240 W278 E281 Y304	I234-T238 HydrophobicContact CG2-CG2 4.18Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 WeakPolarHBondContact O-CG2 3.49Å; I234-T238 PolarHBondContact O-N 3.08Å; I234-T238 PolarHBondContact O-OG1 3.24Å; A235-T238 PolarHBondContact O-N 3.47Å; A235-T238 PolarHBondContact O-OG1 3.1Å; T238-R240 VanDerWaalsContact C-N 3.3Å; T238-R240 PolarHBondContact O-N 3.46Å; T238-W278 HydrophobicContact CG2-CH2 4.43Å; T238-W278 HydrophobicContact CG2-CZ3 4.34Å; T238-E281 HydrophobicContact CG2-CG 4.22Å; T238-Y304 HydrophobicContact CG2-CD2 4.18Å; T238-Y304 HydrophobicContact CG2-CE2 3.9Å
239	Q	98.7	Very high	98.1	Very high	123 Å²	123	25.2 Å²	25.2	58%	0.575	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	43	-178	-51.9	176.4	28.7	0	0	112.9	A235 P569 Y571	A235-Q239 PolarHBondContact O-N 3.06Å; A235-Q239 VanDerWaalsContact O-N 3.08Å; Q239-P569 HydrophobicContact CG-CB 3.81Å; Q239-P569 HydrophobicContact CG-CG 3.51Å; Q239-Y571 WeakPolarHBondContact CA-OH 3.28Å; Q239-Y571 HydrophobicContact CB-CE1 4.42Å; Q239-Y571 HydrophobicContact CG-CE1 4.12Å
240	R	98.8	Very high	97.9	Very high	10 Å²	10	29 Å²	29	4%	0.038	14%	0.139	C	C	.	.			trans	-114.8	133.8	177.8	-65.4	-179.1	174.3	-84.2	-3.4	109.9	K209 K210 L211 A235 T238 L242 D284 V287 Q288 V290	K209-R240 HydrophobicContact CB-CG 4.02Å; K209-R240 CarbonylContact O-C 3.54Å; K209-R240 WeakPolarHBondContact O-CA 3.42Å; K210-R240 PolarHBondContact O-NH1 2.75Å; L211-R240 HydrophobicContact CB-CB 3.82Å; A235-R240 CarbonylContact C-O 3.55Å; A235-R240 WeakPolarHBondContact CB-O 3.1Å; A235-R240 PolarHBondContact O-N 3.48Å; T238-R240 VanDerWaalsContact C-N 3.3Å; T238-R240 PolarHBondContact O-N 3.46Å; R240-L242 PolarHBondContact O-N 2.88Å; R240-D284 PolarHBondContact NH2-O 3.3Å; R240-V287 VanDerWaalsContact CZ-O 3.3Å; R240-V287 PolarHBondContact NH1-O 2.93Å; R240-V287 PolarHBondContact NH2-O 2.99Å; R240-Q288 PolarHBondContact NH1-O 3.32Å; R240-V290 VanDerWaalsContact CZ-CG2 3.49Å
241	T	98.9	Very high	97.7	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.5	170.3	-58.7	0	0	0	0	108.9	L199 K209 K210 L211 I243 C267	L199-T241 PolarHBondContact O-OG1 2.83Å; K209-T241 PolarHBondContact O-N 3.33Å; K210-T241 WeakPolarHBondContact CA-O 3.28Å; L211-T241 PolarHBondContact N-O 3.12Å; T241-I243 HydrophobicContact CG2-CD1 4.29Å; T241-I243 PolarHBondContact O-N 3.03Å; T241-C267 HydrophobicContact CG2-CB 4.26Å
242	L	98.9	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.8	175.3	177.6	70.3	0	0	0	109.6	Q200 L211 C213 V228 C231 F232 A235 R240 V263	Q200-L242 PolarHBondContact NE2-O 3.46Å; Q200-L242 VanDerWaalsContact NE2-O 3.1Å; L211-L242 HydrophobicContact CD2-CD1 4.04Å; C213-L242 HydrophobicContact CB-CD1 3.73Å; V228-L242 HydrophobicContact CG1-CD2 4.34Å; C231-L242 HydrophobicContact CB-CD1 3.94Å; F232-L242 HydrophobicContact CB-CD2 3.83Å; F232-L242 HydrophobicContact CD1-CD2 3.92Å; F232-L242 HydrophobicContact CD2-CB 4.04Å; F232-L242 HydrophobicContact CD2-CD2 3.87Å; F232-L242 HydrophobicContact CE1-CD2 4.41Å; F232-L242 HydrophobicContact CE2-CB 4.21Å; F232-L242 HydrophobicContact CE2-CD2 4.37Å; F232-L242 HydrophobicContact CG-CD2 3.61Å; A235-L242 HydrophobicContact CB-CB 4.11Å; A235-L242 HydrophobicContact CB-CD1 4.47Å; R240-L242 PolarHBondContact O-N 2.88Å; L242-V263 WeakPolarHBondContact O-CG2 3.4Å
243	I	98.8	Very high	97.3	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.4	169.5	-54.1	-59.7	0	0	0	107.7	K210 L211 V212 C213 T241 C267 R270	K210-I243 HydrophobicContact CB-CG1 3.93Å; K210-I243 HydrophobicContact CD-CD1 4.28Å; K210-I243 HydrophobicContact CD-CG1 4.04Å; K210-I243 HydrophobicContact CG-CD1 4.48Å; K210-I243 HydrophobicContact CG-CG1 4.14Å; L211-I243 PolarHBondContact O-N 3.29Å; V212-I243 WeakPolarHBondContact CA-O 3.43Å; V212-I243 HydrophobicContact CG2-CB 4.31Å; C213-I243 PolarHBondContact N-O 2.94Å; T241-I243 HydrophobicContact CG2-CD1 4.29Å; T241-I243 PolarHBondContact O-N 3.03Å; I243-C267 VanDerWaalsContact CD1-O 3.25Å; I243-C267 WeakPolarHBondContact CD1-O 3.09Å; I243-R270 HydrophobicContact CG2-CB 4.15Å
244	L	98.7	Very high	97.1	Very high	19 Å²	19	38 Å²	38	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.7	-178.7	-178.1	61	0	0	0	110.1	I215 V228 W256 V263	I215-L244 HydrophobicContact CB-CD1 4.22Å; V228-L244 HydrophobicContact CG1-CD1 4Å; V228-L244 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG2-CD1 3.8Å; L244-W256 HydrophobicContact CD2-CB 3.9Å; L244-W256 HydrophobicContact CD2-CD2 3.63Å; L244-W256 HydrophobicContact CD2-CE3 4.03Å; L244-W256 HydrophobicContact CD2-CG 3.59Å; L244-V263 HydrophobicContact CB-CG1 4.14Å; L244-V263 HydrophobicContact CB-CG2 4.06Å; L244-V263 HydrophobicContact CD2-CG1 3.98Å
245	E	98	Very high	97	Very high	55 Å²	55	38 Å²	38	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.5	170.1	-70.6	-173.8	160.6	0	0	109.9	V212 C213 N214 I215 R270	V212-E245 HydrophobicContact CG1-CG 3.86Å; C213-E245 PolarHBondContact O-N 2.76Å; N214-E245 PolarHBondContact ND2-OE2 2.9Å; I215-E245 PolarHBondContact N-O 3.4Å; E245-R270 WeakPolarHBondContact OE1-CD 3.39Å; E245-R270 IonicContact OE1-CZ 3.05Å; E245-R270 IonicContact OE1-NE 3.57Å; E245-R270 IonicContact OE1-NH1 3.75Å; E245-R270 PolarHBondContact OE1-NH1 3.08Å; E245-R270 IonicContact OE2-NH1 3.7Å
246	S	97.4	Very high	96.9	Very high	8 Å²	8	38.1 Å²	38.1	6%	0.056	21%	0.206	C	C	.	.			trans	-122.4	7.5	-177.1	55.9	0	0	0	0	115.1	W249 G255 W256	S246-W249 VanDerWaalsContact O-CB 3.25Å; S246-W249 WeakPolarHBondContact O-CB 3.34Å; S246-W249 PolarHBondContact O-N 3.1Å; S246-G255 WeakPolarHBondContact O-CA 3.43Å; S246-W256 VanDerWaalsContact CB-N 3.29Å; S246-W256 WeakPolarHBondContact OG-CB 3.38Å; S246-W256 PolarHBondContact OG-N 2.98Å
247	Q	93.9	Very high	96.9	Very high	157 Å²	157	41.6 Å²	41.6	73%	0.734	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	146.2	175.2	-68.3	-173.7	0.6	0	0	111.1	N216 W249	N216-Q247 PolarHBondContact ND2-O 3.01Å; Q247-W249 PolarHBondContact O-N 3.33Å
248	N	94.1	Very high	96.8	Very high	126 Å²	126	43 Å²	43	67%	0.674	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	29.3	-177.1	-55.4	-49.8	0	0	0	113.4	N216 R250 T253	N216-N248 PolarHBondContact OD1-O 3.46Å; N248-R250 PolarHBondContact O-N 3.14Å; N248-T253 PolarHBondContact N-O 2.88Å
249	W	97.1	Very high	96.8	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.226	C	C	.	.			trans	-62.7	126.2	175.7	-178.8	41.8	0	0	0	111	I215 N216 Y221 S246 Q247 Y251 A252 T253 V259 L448	I215-W249 HydrophobicContact CD1-CD2 4.12Å; I215-W249 HydrophobicContact CD1-CG 4.46Å; I215-W249 HydrophobicContact CD1-CZ2 3.99Å; I215-W249 HydrophobicContact CG2-CB 4.08Å; I215-W249 HydrophobicContact CG2-CG 3.95Å; N216-W249 VanDerWaalsContact OD1-CA 3.28Å; N216-W249 WeakPolarHBondContact OD1-CA 3.37Å; Y221-W249 HydrophobicContact CD2-CH2 4.31Å; Y221-W249 HydrophobicContact CD2-CZ2 4Å; Y221-W249 HydrophobicContact CE2-CH2 4.26Å; Y221-W249 HydrophobicContact CE2-CZ2 4.32Å; S246-W249 VanDerWaalsContact O-CB 3.25Å; S246-W249 WeakPolarHBondContact O-CB 3.34Å; S246-W249 PolarHBondContact O-N 3.1Å; Q247-W249 PolarHBondContact O-N 3.33Å; W249-Y251 AromaticContact CE2-CD2 3.88Å; W249-Y251 HydrophobicContact CZ2-CD2 4.01Å; W249-Y251 HydrophobicContact CZ2-CG 4.26Å; W249-Y251 AromaticContact NE1-CD2 3.63Å; W249-Y251 PolarHBondContact O-N 2.81Å; W249-A252 WeakPolarHBondContact CB-O 3.35Å; W249-A252 HydrophobicContact CE3-CB 3.98Å; W249-A252 HydrophobicContact CZ3-CB 4.32Å; W249-A252 CarbonylContact O-C 3.42Å; W249-A252 PolarHBondContact O-N 3.33Å; W249-T253 PolarHBondContact O-N 3.01Å; W249-V259 HydrophobicContact CZ3-CG2 4.19Å; W249-L448 HydrophobicContact CE3-CD2 4.34Å; W249-L448 HydrophobicContact CH2-CD1 3.6Å; W249-L448 HydrophobicContact CH2-CD2 3.57Å; W249-L448 HydrophobicContact CH2-CG 4.24Å; W249-L448 HydrophobicContact CZ2-CD1 4.06Å; W249-L448 HydrophobicContact CZ2-CD2 4.5Å; W249-L448 HydrophobicContact CZ3-CD1 4.39Å; W249-L448 HydrophobicContact CZ3-CD2 3.48Å; W249-L448 VanDerWaalsContact CZ3-CD2 3.48Å
250	R	93.9	Very high	96.8	Very high	81 Å²	81	36.6 Å²	36.6	31%	0.306	20%	0.2	S	C	.	.	S	Bend	trans	-56.2	-26.1	-173.9	68.7	-176.9	63.9	-172.8	-7.5	114.3	K217 C219 Q224 N248 Y443	K217-R250 PolarHBondContact O-NH2 3.15Å; K217-R250 VanDerWaalsContact O-NH2 3.13Å; C219-R250 PolarHBondContact O-NH1 3.13Å; Q224-R250 VanDerWaalsContact NE2-NE 3.14Å; N248-R250 PolarHBondContact O-N 3.14Å; R250-Y443 HydrophobicContact CB-CD1 4.45Å; R250-Y443 HydrophobicContact CG-CD1 3.85Å; R250-Y443 HydrophobicContact CG-CE1 4.37Å; R250-Y443 CarbonylContact O-C 3.07Å; R250-Y443 WeakPolarHBondContact O-CB 3.35Å
251	Y	94.7	Very high	96.8	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.047	22%	0.216	C	C	.	.	S	Bend	trans	-88.1	-35.8	179	-77.6	-80.6	0	0	0	112.5	G220 Y221 W249 R442 Y443 T444 E445 L448	G220-Y251 VanDerWaalsContact CA-OH 3.29Å; G220-Y251 WeakPolarHBondContact CA-OH 3.48Å; Y221-Y251 PolarHBondContact N-OH 2.88Å; W249-Y251 AromaticContact CE2-CD2 3.88Å; W249-Y251 HydrophobicContact CZ2-CD2 4.01Å; W249-Y251 HydrophobicContact CZ2-CG 4.26Å; W249-Y251 AromaticContact NE1-CD2 3.63Å; W249-Y251 PolarHBondContact O-N 2.81Å; Y251-R442 WeakPolarHBondContact CE1-O 3.3Å; Y251-Y443 HydrophobicContact CD1-CD1 4.45Å; Y251-Y443 HydrophobicContact CD2-CD1 4.46Å; Y251-Y443 AromaticContact CE1-CD1 3.98Å; Y251-Y443 HydrophobicContact CE1-CD1 3.98Å; Y251-Y443 HydrophobicContact CE1-CE1 4.45Å; Y251-Y443 AromaticContact CE2-CD1 3.97Å; Y251-Y443 HydrophobicContact CE2-CD1 3.97Å; Y251-Y443 HydrophobicContact CE2-CE1 4.08Å; Y251-Y443 AromaticContact CZ-CD1 3.7Å; Y251-Y443 AromaticContact CZ-CE1 3.79Å; Y251-T444 CarbonylContact O-C 3.59Å; Y251-E445 VanDerWaalsContact O-CA 3.28Å; Y251-E445 WeakPolarHBondContact O-CA 3.27Å; Y251-E445 PolarHBondContact O-N 3.07Å; Y251-L448 HydrophobicContact CD1-CB 4.07Å; Y251-L448 HydrophobicContact CD1-CD1 4.25Å; Y251-L448 HydrophobicContact CG-CB 4.46Å; Y251-L448 HydrophobicContact CG-CD1 4.18Å
252	A	95.6	Very high	96.7	Very high	3 Å²	3	42 Å²	42	3%	0.025	22%	0.223	C	C	.	.			trans	-149	108.4	177	0	0	0	0	0	108.9	W249 G254 G255 T258 L448	W249-A252 WeakPolarHBondContact CB-O 3.35Å; W249-A252 HydrophobicContact CE3-CB 3.98Å; W249-A252 HydrophobicContact CZ3-CB 4.32Å; W249-A252 CarbonylContact O-C 3.42Å; W249-A252 PolarHBondContact O-N 3.33Å; A252-G254 PolarHBondContact O-N 3.47Å; A252-G254 VanDerWaalsContact O-N 3.12Å; A252-G255 PolarHBondContact O-N 2.88Å; A252-T258 HydrophobicContact CB-CG2 4.01Å; A252-L448 HydrophobicContact CB-CD2 4.02Å
253	T	94	Very high	96.7	Very high	115 Å²	115	42.2 Å²	42.2	71%	0.706	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.5	-173.4	51.6	0	0	0	0	113.3	N248 W249 G255	N248-T253 PolarHBondContact N-O 2.88Å; W249-T253 PolarHBondContact O-N 3.01Å; T253-G255 PolarHBondContact O-N 3.37Å
254	G	93.5	Very high	96.7	Very high	61 Å²	61	42 Å²	42	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	172	0	0	0	0	0	114.6	A252	A252-G254 PolarHBondContact O-N 3.47Å; A252-G254 VanDerWaalsContact O-N 3.12Å
255	G	96.7	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.			trans	101.2	-164.1	174.1	0	0	0	0	0	115	S246 A252 T253 E257 T258	S246-G255 WeakPolarHBondContact O-CA 3.43Å; A252-G255 PolarHBondContact O-N 2.88Å; T253-G255 PolarHBondContact O-N 3.37Å; G255-E257 VanDerWaalsContact C-N 3.31Å; G255-E257 PolarHBondContact O-N 3.25Å; G255-T258 WeakPolarHBondContact O-CB 3.5Å; G255-T258 PolarHBondContact O-N 3.01Å; G255-T258 PolarHBondContact O-OG1 3.47Å
256	W	98	Very high	96.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-62.5	-41.4	-174.4	178.2	-100.4	0	0	0	111.7	I215 L225 L244 S246 T258 V259 F260 R261 L336	I215-W256 HydrophobicContact CD1-CE3 3.64Å; I215-W256 HydrophobicContact CD1-CZ3 4Å; L225-W256 HydrophobicContact CD1-CH2 3.89Å; L225-W256 HydrophobicContact CD1-CZ3 4.42Å; L244-W256 HydrophobicContact CD2-CB 3.9Å; L244-W256 HydrophobicContact CD2-CD2 3.63Å; L244-W256 HydrophobicContact CD2-CE3 4.03Å; L244-W256 HydrophobicContact CD2-CG 3.59Å; S246-W256 VanDerWaalsContact CB-N 3.29Å; S246-W256 WeakPolarHBondContact OG-CB 3.38Å; S246-W256 PolarHBondContact OG-N 2.98Å; W256-T258 PolarHBondContact O-N 3.05Å; W256-T258 VanDerWaalsContact O-N 3.08Å; W256-V259 PolarHBondContact O-N 3.39Å; W256-V259 VanDerWaalsContact O-N 3.11Å; W256-F260 HydrophobicContact CD2-CB 4.19Å; W256-F260 AromaticContact CD2-CD2 3.98Å; W256-F260 HydrophobicContact CD2-CD2 3.98Å; W256-F260 VanDerWaalsContact CE2-CB 3.49Å; W256-F260 AromaticContact CE2-CD2 3.68Å; W256-F260 AromaticContact CE2-CG 3.96Å; W256-F260 AromaticContact CE3-CD2 3.95Å; W256-F260 HydrophobicContact CE3-CD2 3.95Å; W256-F260 HydrophobicContact CG-CB 4.5Å; W256-F260 AromaticContact CH2-CD2 3.38Å; W256-F260 HydrophobicContact CH2-CD2 3.38Å; W256-F260 AromaticContact CH2-CE2 3.79Å; W256-F260 HydrophobicContact CH2-CE2 3.79Å; W256-F260 HydrophobicContact CH2-CG 4.2Å; W256-F260 HydrophobicContact CZ2-CB 3.75Å; W256-F260 AromaticContact CZ2-CD2 3.39Å; W256-F260 HydrophobicContact CZ2-CD2 3.39Å; W256-F260 HydrophobicContact CZ2-CE2 4.22Å; W256-F260 AromaticContact CZ2-CG 3.77Å; W256-F260 HydrophobicContact CZ2-CG 3.77Å; W256-F260 AromaticContact CZ3-CD2 3.67Å; W256-F260 HydrophobicContact CZ3-CD2 3.67Å; W256-F260 HydrophobicContact CZ3-CE2 4.03Å; W256-F260 PolarHBondContact O-N 3.31Å; W256-R261 PolarHBondContact NE1-O 2.92Å; W256-L336 HydrophobicContact CH2-CB 4.19Å; W256-L336 HydrophobicContact CZ2-CB 3.92Å; W256-L336 HydrophobicContact CZ2-CD2 4.39Å; W256-L336 VanDerWaalsContact CZ2-O 3.31Å; W256-L336 WeakPolarHBondContact CZ2-O 3.45Å
257	E	97.6	Very high	96.6	Very high	74 Å²	74	47.5 Å²	47.5	35%	0.346	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-67	-10	-176.8	-65.6	84.4	171.7	0	0	113.7	G255 V259 F260 P262 Q340	G255-E257 VanDerWaalsContact C-N 3.31Å; G255-E257 PolarHBondContact O-N 3.25Å; E257-V259 VanDerWaalsContact C-N 3.27Å; E257-V259 PolarHBondContact O-N 3.47Å; E257-F260 VanDerWaalsContact CA-O 3.29Å; E257-F260 WeakPolarHBondContact CA-O 3.25Å; E257-P262 HydrophobicContact CG-CB 4.15Å; E257-Q340 PolarHBondContact O-NE2 3.22Å
258	T	97.3	Very high	96.8	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.19	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55.3	-46.6	168.1	-62.5	0	0	0	0	110.1	A252 G255 W256 W342 E445	A252-T258 HydrophobicContact CB-CG2 4.01Å; G255-T258 WeakPolarHBondContact O-CB 3.5Å; G255-T258 PolarHBondContact O-N 3.01Å; G255-T258 PolarHBondContact O-OG1 3.47Å; W256-T258 PolarHBondContact O-N 3.05Å; W256-T258 VanDerWaalsContact O-N 3.08Å; T258-W342 VanDerWaalsContact O-CE2 3.24Å; T258-W342 WeakPolarHBondContact O-CZ2 3.38Å; T258-W342 PolarHBondContact O-NE1 2.63Å; T258-E445 HydrophobicContact CG2-CG 4.19Å
259	V	97.8	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-33.2	-172.2	-71.9	0	0	0	0	114.4	W249 W256 E257 Q340 W342 L343 L448 I452	W249-V259 HydrophobicContact CZ3-CG2 4.19Å; W256-V259 PolarHBondContact O-N 3.39Å; W256-V259 VanDerWaalsContact O-N 3.11Å; E257-V259 VanDerWaalsContact C-N 3.27Å; E257-V259 PolarHBondContact O-N 3.47Å; V259-Q340 PolarHBondContact O-N 3.21Å; V259-W342 HydrophobicContact CB-CZ2 4.42Å; V259-W342 HydrophobicContact CG1-CH2 4.04Å; V259-W342 HydrophobicContact CG1-CZ2 3.83Å; V259-L343 HydrophobicContact CB-CD2 4.15Å; V259-L343 VanDerWaalsContact O-CD2 3.23Å; V259-L343 WeakPolarHBondContact O-CD2 3.43Å; V259-L448 HydrophobicContact CG1-CD2 3.83Å; V259-L448 HydrophobicContact CG1-CG 4.4Å; V259-L448 HydrophobicContact CG2-CD2 3.98Å; V259-I452 HydrophobicContact CB-CD1 4.09Å; V259-I452 HydrophobicContact CG1-CD1 4.14Å; V259-I452 HydrophobicContact CG2-CD1 4.09Å
260	F	98.6	Very high	96.7	Very high	4 Å²	4	46 Å²	46	2%	0.018	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-117.7	160.7	-174.6	-64.2	-56.8	0	0	0	111.7	Y221 W256 E257 I337 R338 Q340 L343 I452	Y221-F260 HydrophobicContact CE2-CE2 4.39Å; Y221-F260 WeakPolarHBondContact OH-CE2 3.35Å; Y221-F260 WeakPolarHBondContact OH-CZ 3.47Å; W256-F260 HydrophobicContact CD2-CB 4.19Å; W256-F260 AromaticContact CD2-CD2 3.98Å; W256-F260 HydrophobicContact CD2-CD2 3.98Å; W256-F260 VanDerWaalsContact CE2-CB 3.49Å; W256-F260 AromaticContact CE2-CD2 3.68Å; W256-F260 AromaticContact CE2-CG 3.96Å; W256-F260 AromaticContact CE3-CD2 3.95Å; W256-F260 HydrophobicContact CE3-CD2 3.95Å; W256-F260 HydrophobicContact CG-CB 4.5Å; W256-F260 AromaticContact CH2-CD2 3.38Å; W256-F260 HydrophobicContact CH2-CD2 3.38Å; W256-F260 AromaticContact CH2-CE2 3.79Å; W256-F260 HydrophobicContact CH2-CE2 3.79Å; W256-F260 HydrophobicContact CH2-CG 4.2Å; W256-F260 HydrophobicContact CZ2-CB 3.75Å; W256-F260 AromaticContact CZ2-CD2 3.39Å; W256-F260 HydrophobicContact CZ2-CD2 3.39Å; W256-F260 HydrophobicContact CZ2-CE2 4.22Å; W256-F260 AromaticContact CZ2-CG 3.77Å; W256-F260 HydrophobicContact CZ2-CG 3.77Å; W256-F260 AromaticContact CZ3-CD2 3.67Å; W256-F260 HydrophobicContact CZ3-CD2 3.67Å; W256-F260 HydrophobicContact CZ3-CE2 4.03Å; W256-F260 PolarHBondContact O-N 3.31Å; E257-F260 VanDerWaalsContact CA-O 3.29Å; E257-F260 WeakPolarHBondContact CA-O 3.25Å; F260-I337 HydrophobicContact CD1-CB 4.27Å; F260-I337 WeakPolarHBondContact CD1-O 3.2Å; F260-I337 HydrophobicContact CE1-CB 3.78Å; F260-I337 HydrophobicContact CE1-CG2 4.28Å; F260-I337 HydrophobicContact CZ-CB 4.17Å; F260-I337 HydrophobicContact CZ-CG2 4.15Å; F260-R338 CarbonylContact C-O 3.48Å; F260-R338 WeakPolarHBondContact CA-O 3.45Å; F260-Q340 WeakPolarHBondContact O-CG 3.4Å; F260-Q340 PolarHBondContact O-NE2 3.19Å; F260-L343 HydrophobicContact CD1-CD2 4.38Å; F260-L343 HydrophobicContact CE1-CD2 4.11Å; F260-I452 HydrophobicContact CE2-CD1 4.08Å; F260-I452 HydrophobicContact CZ-CD1 3.74Å; F260-I452 HydrophobicContact CZ-CG1 4.1Å; F260-I452 HydrophobicContact CZ-CG2 4.47Å
261	R	98.5	Very high	96.8	Very high	100 Å²	100	45.1 Å²	45.1	38%	0.377	25%	0.253	S	S	.	.			trans	-65.5	151.6	172.6	-66	-168.7	-172.4	-163.8	2.3	110.4	W256 R338 P339	W256-R261 PolarHBondContact NE1-O 2.92Å; R261-R338 HydrophobicContact CB-CB 4.23Å; R261-R338 HydrophobicContact CG-CB 4.27Å; R261-R338 PolarHBondContact N-O 2.85Å; R261-P339 WeakPolarHBondContact CG-O 3.3Å; R261-P339 PolarHBondContact NE-O 3.29Å
262	P	98.1	Very high	96.8	Very high	28 Å²	28	46 Å²	46	18%	0.182	27%	0.266	C	S	.	.			trans	-57.2	149.1	172.6	27.1	-35.9	0	0	0	110.5	E257 S264 T268 R338	E257-P262 HydrophobicContact CG-CB 4.15Å; P262-S264 PolarHBondContact O-N 2.95Å; P262-T268 HydrophobicContact CB-CG2 4.33Å; P262-R338 PolarHBondContact O-NH2 3.41Å
263	V	97.9	Very high	96.8	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.03	30%	0.303	C	S	.	.	S	Bend	trans	-67.4	-17.6	-179.2	-63.1	0	0	0	0	112.6	Q200 L242 L244 Y335 L336	Q200-V263 WeakPolarHBondContact CB-O 3.29Å; Q200-V263 WeakPolarHBondContact CG-O 3.45Å; Q200-V263 PolarHBondContact NE2-O 3.01Å; L242-V263 WeakPolarHBondContact O-CG2 3.4Å; L244-V263 HydrophobicContact CB-CG1 4.14Å; L244-V263 HydrophobicContact CB-CG2 4.06Å; L244-V263 HydrophobicContact CD2-CG1 3.98Å; V263-Y335 VanDerWaalsContact O-CE1 3.28Å; V263-Y335 WeakPolarHBondContact O-CE1 3.16Å; V263-Y335 PolarHBondContact O-OH 3.02Å; V263-L336 HydrophobicContact CG1-CD2 3.85Å
264	S	98.5	Very high	97	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	29%	0.288	C	S	.	.			trans	-143.9	142.9	176.8	178.1	0	0	0	0	109.7	Q200 P262 T266 C267 T268	Q200-S264 WeakPolarHBondContact O-CB 3.49Å; Q200-S264 PolarHBondContact O-OG 2.98Å; P262-S264 PolarHBondContact O-N 2.95Å; S264-T266 PolarHBondContact OG-N 2.52Å; S264-C267 WeakPolarHBondContact CB-O 3.37Å; S264-C267 PolarHBondContact OG-N 3.26Å; S264-C267 PolarHBondContact OG-O 2.96Å; S264-T268 VanDerWaalsContact O-CG2 3.3Å; S264-T268 WeakPolarHBondContact O-CG2 3.36Å
265	E	97.4	Very high	97.2	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	28%	0.279	S	S	*	.	S	Bend	trans	-89.1	-24.9	172.7	-56.9	-62.5	152.2	0	0	111.7	N201	N201-E265 WeakPolarHBondContact OD1-CB 3.26Å; N201-E265 PolarHBondContact OD1-N 3.39Å
266	T	98.1	Very high	97.2	Very high	75 Å²	75	51.3 Å²	51.3	46%	0.46	29%	0.291	S	S	.	.	S	Bend	trans	-111.5	-15.2	-174.2	72.3	0	0	0	0	114.4	N201 P202 S264	N201-T266 VanDerWaalsContact C-OG1 3.22Å; N201-T266 WeakPolarHBondContact CA-OG1 3.41Å; N201-T266 HydrophobicContact CB-CG2 4.11Å; N201-T266 PolarHBondContact OD1-N 2.97Å; P202-T266 PolarHBondContact O-OG1 2.91Å; S264-T266 PolarHBondContact OG-N 2.52Å
267	C	97.9	Very high	97.2	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	32%	0.321	C	S	.	.			trans	-149.4	88.9	-173.3	-165.1	0	0	0	0	113.1	P202 C205 T241 I243 S264	P202-C267 HydrophobicContact CG-CB 3.64Å; C205-C267 WeakPolarHBondContact CA-SG 3.45Å; C205-C267 HydrophobicContact CB-CB 3.51Å; C205-C267 WeakPolarHBondContact CB-SG 3.42Å; C205-C267 WeakPolarHBondContact SG-CA 3.23Å; C205-C267 WeakPolarHBondContact SG-CB 3.33Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 2.68Å; T241-C267 HydrophobicContact CG2-CB 4.26Å; I243-C267 VanDerWaalsContact CD1-O 3.25Å; I243-C267 WeakPolarHBondContact CD1-O 3.09Å; S264-C267 WeakPolarHBondContact CB-O 3.37Å; S264-C267 PolarHBondContact OG-N 3.26Å; S264-C267 PolarHBondContact OG-O 2.96Å
268	T	96.8	Very high	97.2	Very high	87 Å²	87	55.1 Å²	55.1	53%	0.534	31%	0.308	S	S	.	.			trans	-109.4	-8.7	175.8	53.4	0	0	0	0	113.1	P262 S264	P262-T268 HydrophobicContact CB-CG2 4.33Å; S264-T268 VanDerWaalsContact O-CG2 3.3Å; S264-T268 WeakPolarHBondContact O-CG2 3.36Å
269	D	94.3	Very high	97.2	Very high	80 Å²	80	56 Å²	56	43%	0.428	32%	0.316	S	S	.	.			trans	-88.4	139.5	-177.1	171.1	-97.9	0	0	0	112.2	K210 S271	K210-D269 WeakPolarHBondContact CD-O 3.5Å; K210-D269 WeakPolarHBondContact CE-O 3.17Å; K210-D269 PolarHBondContact NZ-O 2.69Å; K210-D269 IonicContact NZ-OD1 2.95Å; D269-S271 WeakPolarHBondContact OD1-CA 3.29Å; D269-S271 WeakPolarHBondContact OD1-CB 3.41Å; D269-S271 PolarHBondContact OD1-N 3.25Å; D269-S271 PolarHBondContact OD1-OG 3.44Å
270	R	95.6	Very high	97.2	Very high	86 Å²	86	56.3 Å²	56.3	33%	0.325	32%	0.318	S	S	.	.			trans	-88.6	3.3	-178.2	66.8	169.1	-76.6	170.1	-2.1	115	V212 I243 E245 E291	V212-R270 HydrophobicContact CG2-CB 4.23Å; I243-R270 HydrophobicContact CG2-CB 4.15Å; E245-R270 WeakPolarHBondContact OE1-CD 3.39Å; E245-R270 IonicContact OE1-CZ 3.05Å; E245-R270 IonicContact OE1-NE 3.57Å; E245-R270 IonicContact OE1-NH1 3.75Å; E245-R270 PolarHBondContact OE1-NH1 3.08Å; E245-R270 IonicContact OE2-NH1 3.7Å; R270-E291 IonicContact CZ-OE1 3.87Å; R270-E291 IonicContact NH1-OE1 3.51Å; R270-E291 IonicContact NH2-OE1 3.35Å; R270-E291 PolarHBondContact NH2-OE1 3.18Å
271	S	95.5	Very high	97	Very high	61 Å²	61	60 Å²	60	43%	0.427	34%	0.335	S	S	.	.			trans	-63.3	150.3	-178.5	70.7	0	0	0	0	112	K210 D269	K210-S271 WeakPolarHBondContact CE-O 3.46Å; K210-S271 PolarHBondContact NZ-O 3.3Å; D269-S271 WeakPolarHBondContact OD1-CA 3.29Å; D269-S271 WeakPolarHBondContact OD1-CB 3.41Å; D269-S271 PolarHBondContact OD1-N 3.25Å; D269-S271 PolarHBondContact OD1-OG 3.44Å
272	G	94.6	Very high	96.9	Very high	32 Å²	32	59 Å²	59	33%	0.33	35%	0.349	S	S	.	.			trans	-175.4	162.9	174.8	0	0	0	0	0	110.4	T274	G272-T274 VanDerWaalsContact C-N 3.31Å
273	T	96.3	Very high	96.8	Very high	131 Å²	131	63.2 Å²	63.2	80%	0.804	37%	0.37	S	S	*	.	S	Bend	trans	-68.7	-30.9	179.2	43.4	0	0	0	0	112.8	Q288	T273-Q288 PolarHBondContact OG1-OE1 3.44Å; T273-Q288 VanDerWaalsContact OG1-OE1 3.09Å
274	T	97.3	Very high	96.7	Very high	61 Å²	61	63.1 Å²	63.1	37%	0.374	37%	0.369	S	S	.	.			trans	-134.9	132.8	179.7	52.5	0	0	0	0	110.5	G272 D286 Q288 V289	G272-T274 VanDerWaalsContact C-N 3.31Å; T274-D286 PolarHBondContact OG1-O 3.31Å; T274-Q288 PolarHBondContact O-N 3.36Å; T274-Q288 PolarHBondContact OG1-N 3.06Å; T274-V289 PolarHBondContact O-N 2.67Å
275	T	97.9	Very high	96.6	Very high	72 Å²	72	69.1 Å²	69.1	44%	0.442	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.4	179.3	-54.5	0	0	0	0	109.3	V289	T275-V289 VanDerWaalsContact CA-O 3.28Å; T275-V289 WeakPolarHBondContact CA-O 3.22Å; T275-V289 HydrophobicContact CG2-CB 4.21Å; T275-V289 HydrophobicContact CG2-CG1 4.23Å
276	G	97.3	Very high	96.5	Very high	25 Å²	25	69.5 Å²	69.5	26%	0.258	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	162.3	176.2	0	0	0	0	0	112.4	V289 V290 E291	G276-V289 PolarHBondContact N-O 2.95Å; G276-V290 CarbonylContact O-C 3.08Å; G276-V290 WeakPolarHBondContact O-CA 3.43Å; G276-E291 PolarHBondContact O-N 3.33Å
277	H	97.7	Very high	96.5	Very high	137 Å²	137	67.4 Å²	67.4	63%	0.634	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	152.6	169.7	-61.8	-63.1	0	0	0	110.5	S279 E291	H277-S279 PolarHBondContact O-N 3.34Å; H277-E291 IonicContact CE1-OE2 2.99Å; H277-E291 PolarHBondContact CE1-OE2 3.11Å; H277-E291 IonicContact ND1-OE2 3.78Å; H277-E291 PolarHBondContact ND1-OE2 3.22Å
278	W	98.3	Very high	96.5	Very high	19 Å²	19	68.2 Å²	68.2	7%	0.072	39%	0.392	C	S	.	.			trans	-49.7	122.9	173.6	175.7	-92.5	0	0	0	111.6	I234 T238 E281 V290 E291 L292 L298 P300 P302	I234-W278 HydrophobicContact CG2-CH2 4.34Å; I234-W278 HydrophobicContact CG2-CZ3 4.14Å; T238-W278 HydrophobicContact CG2-CH2 4.43Å; T238-W278 HydrophobicContact CG2-CZ3 4.34Å; W278-E281 HydrophobicContact CH2-CB 4.25Å; W278-V290 HydrophobicContact CB-CG1 4.16Å; W278-V290 HydrophobicContact CE3-CG1 4.04Å; W278-E291 PolarHBondContact N-O 3.34Å; W278-L292 HydrophobicContact CB-CD1 4.08Å; W278-L292 HydrophobicContact CD2-CD1 3.83Å; W278-L292 HydrophobicContact CE3-CD1 3.82Å; W278-L292 HydrophobicContact CG-CD1 3.95Å; W278-L298 VanDerWaalsContact CD1-CD1 3.45Å; W278-L298 HydrophobicContact CD2-CD1 4.24Å; W278-L298 HydrophobicContact CG-CD1 3.9Å; W278-P300 PolarHBondContact NE1-O 3.05Å; W278-P302 HydrophobicContact CH2-CB 3.9Å; W278-P302 HydrophobicContact CH2-CG 4.04Å; W278-P302 HydrophobicContact CZ2-CB 3.82Å; W278-P302 HydrophobicContact CZ2-CG 3.82Å
279	S	97.3	Very high	96.6	Very high	51 Å²	51	64 Å²	64	36%	0.357	37%	0.366	S	S	.	.			trans	-128.7	3.7	175.6	76.8	0	0	0	0	112.9	H277 N283 D284 P300	H277-S279 PolarHBondContact O-N 3.34Å; S279-N283 PolarHBondContact O-ND2 3.03Å; S279-N283 WeakPolarHBondContact OG-CB 3.47Å; S279-D284 PolarHBondContact N-OD1 3.47Å; S279-D284 PolarHBondContact N-OD2 2.87Å; S279-D284 PolarHBondContact OG-OD1 3.41Å; S279-P300 WeakPolarHBondContact O-CD 3.37Å
280	G	96.4	Very high	96.8	Very high	5 Å²	5	60.2 Å²	60.2	5%	0.052	35%	0.346	C	S	.	.			trans	112.4	142.2	178.5	0	0	0	0	0	111.5	A282 N283 D284	G280-A282 VanDerWaalsContact C-N 3.26Å; G280-A282 PolarHBondContact O-N 3.33Å; G280-N283 WeakPolarHBondContact O-CB 3.44Å; G280-N283 PolarHBondContact O-N 3.11Å; G280-D284 PolarHBondContact N-OD2 3.25Å; G280-D284 PolarHBondContact O-N 3.29Å
281	E	95.4	Very high	96.9	Very high	81 Å²	81	58.5 Å²	58.5	38%	0.379	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-41.8	-173	-177.9	175.8	-163.7	0	0	114.2	T238 W278 K285 Y304	T238-E281 HydrophobicContact CG2-CG 4.22Å; W278-E281 HydrophobicContact CH2-CB 4.25Å; E281-K285 PolarHBondContact O-N 3.17Å; E281-Y304 PolarHBondContact OE1-OH 2.76Å; E281-Y304 WeakPolarHBondContact OE2-CE2 3.41Å; E281-Y304 PolarHBondContact OE2-OH 3.05Å
282	A	95.8	Very high	97.1	Very high	81 Å²	81	56.1 Å²	56.1	67%	0.669	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.5	179	0	0	0	0	0	113.4	G280	G280-A282 VanDerWaalsContact C-N 3.26Å; G280-A282 PolarHBondContact O-N 3.33Å
283	N	96.3	Very high	97.2	Very high	115 Å²	115	56.6 Å²	56.6	62%	0.615	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-36.5	179	-65.5	-26.7	0	0	0	111.1	S279 G280 K285	S279-N283 PolarHBondContact O-ND2 3.03Å; S279-N283 WeakPolarHBondContact OG-CB 3.47Å; G280-N283 WeakPolarHBondContact O-CB 3.44Å; G280-N283 PolarHBondContact O-N 3.11Å; N283-K285 VanDerWaalsContact C-N 3.26Å; N283-K285 PolarHBondContact O-N 3.36Å
284	D	96.8	Very high	97.3	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-85.3	6.6	-175.4	-60.2	-32.4	0	0	0	113.1	R240 S279 G280 D286 V287 V290	R240-D284 PolarHBondContact NH2-O 3.3Å; S279-D284 PolarHBondContact N-OD1 3.47Å; S279-D284 PolarHBondContact N-OD2 2.87Å; S279-D284 PolarHBondContact OG-OD1 3.41Å; G280-D284 PolarHBondContact N-OD2 3.25Å; G280-D284 PolarHBondContact O-N 3.29Å; D284-D286 VanDerWaalsContact C-N 3.28Å; D284-D286 PolarHBondContact O-N 3.4Å; D284-V287 PolarHBondContact O-N 2.76Å; D284-V287 VanDerWaalsContact O-N 3.08Å; D284-V290 HydrophobicContact CB-CG2 3.91Å
285	K	95.2	Very high	97.2	Very high	126 Å²	126	51 Å²	51	55%	0.548	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.4	-37.9	-172.9	69.1	178.6	-173.3	177.2	0	114	K209 E281 N283	K209-K285 PolarHBondContact NZ-O 3.21Å; E281-K285 PolarHBondContact O-N 3.17Å; N283-K285 VanDerWaalsContact C-N 3.26Å; N283-K285 PolarHBondContact O-N 3.36Å
286	D	96.1	Very high	97	Very high	130 Å²	130	53 Å²	53	70%	0.695	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-100.3	-1.1	-177	-59.8	-40.2	0	0	0	112.3	T274 D284	T274-D286 PolarHBondContact OG1-O 3.31Å; D284-D286 VanDerWaalsContact C-N 3.28Å; D284-D286 PolarHBondContact O-N 3.4Å
287	V	98.1	Very high	96.9	Very high	31 Å²	31	54.9 Å²	54.9	19%	0.188	30%	0.301	C	S	.	.			trans	-83.2	120.9	174.8	-176.8	0	0	0	0	108.6	R240 D284 V289 V290	R240-V287 VanDerWaalsContact CZ-O 3.3Å; R240-V287 PolarHBondContact NH1-O 2.93Å; R240-V287 PolarHBondContact NH2-O 2.99Å; D284-V287 PolarHBondContact O-N 2.76Å; D284-V287 VanDerWaalsContact O-N 3.08Å; V287-V289 VanDerWaalsContact CG1-O 3.3Å; V287-V289 WeakPolarHBondContact CG1-O 3.29Å; V287-V290 HydrophobicContact CB-CG2 4.1Å; V287-V290 HydrophobicContact CG1-CG2 3.9Å
288	Q	98.2	Very high	96.9	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.079	27%	0.271	C	S	.	.	S	Bend	trans	-71.2	-45.7	-177.5	-172.8	-178.5	3.8	0	0	111.4	S206 A208 K209 K210 R240 T273 T274	S206-Q288 PolarHBondContact O-NE2 3.41Å; A208-Q288 VanDerWaalsContact O-CG 3.29Å; A208-Q288 WeakPolarHBondContact O-CG 3.29Å; A208-Q288 PolarHBondContact O-NE2 3.34Å; K209-Q288 CarbonylContact C-O 3.53Å; K209-Q288 WeakPolarHBondContact CA-O 3.38Å; K210-Q288 PolarHBondContact N-O 3.43Å; R240-Q288 PolarHBondContact NH1-O 3.32Å; T273-Q288 PolarHBondContact OG1-OE1 3.44Å; T273-Q288 VanDerWaalsContact OG1-OE1 3.09Å; T274-Q288 PolarHBondContact O-N 3.36Å; T274-Q288 PolarHBondContact OG1-N 3.06Å
289	V	98.7	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.6	-176.4	-173.3	0	0	0	0	109.7	K210 V212 T274 T275 G276 V287	K210-V289 HydrophobicContact CB-CG1 4.29Å; K210-V289 HydrophobicContact CB-CG2 4.24Å; K210-V289 HydrophobicContact CD-CG2 4.17Å; V212-V289 HydrophobicContact CG2-CG1 3.49Å; V212-V289 VanDerWaalsContact CG2-CG1 3.49Å; T274-V289 PolarHBondContact O-N 2.67Å; T275-V289 VanDerWaalsContact CA-O 3.28Å; T275-V289 WeakPolarHBondContact CA-O 3.22Å; T275-V289 HydrophobicContact CG2-CB 4.21Å; T275-V289 HydrophobicContact CG2-CG1 4.23Å; G276-V289 PolarHBondContact N-O 2.95Å; V287-V289 VanDerWaalsContact CG1-O 3.3Å; V287-V289 WeakPolarHBondContact CG1-O 3.29Å
290	V	98.7	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	-179.2	180	0	0	0	0	110	K210 L211 V212 R240 G276 W278 D284 V287	K210-V290 PolarHBondContact O-N 3.07Å; L211-V290 CarbonylContact C-O 3.44Å; L211-V290 WeakPolarHBondContact CA-O 3.42Å; V212-V290 PolarHBondContact N-O 3.35Å; R240-V290 VanDerWaalsContact CZ-CG2 3.49Å; G276-V290 CarbonylContact O-C 3.08Å; G276-V290 WeakPolarHBondContact O-CA 3.43Å; W278-V290 HydrophobicContact CB-CG1 4.16Å; W278-V290 HydrophobicContact CE3-CG1 4.04Å; D284-V290 HydrophobicContact CB-CG2 3.91Å; V287-V290 HydrophobicContact CB-CG2 4.1Å; V287-V290 HydrophobicContact CG1-CG2 3.9Å
291	E	98.4	Very high	96.8	Very high	49 Å²	49	59 Å²	59	23%	0.229	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.4	174.8	-63.1	-177.5	-172.6	0	0	110.2	V212 R270 G276 H277 W278	V212-E291 HydrophobicContact CB-CG 4.25Å; R270-E291 IonicContact CZ-OE1 3.87Å; R270-E291 IonicContact NH1-OE1 3.51Å; R270-E291 IonicContact NH2-OE1 3.35Å; R270-E291 PolarHBondContact NH2-OE1 3.18Å; G276-E291 PolarHBondContact O-N 3.33Å; H277-E291 IonicContact CE1-OE2 2.99Å; H277-E291 PolarHBondContact CE1-OE2 3.11Å; H277-E291 IonicContact ND1-OE2 3.78Å; H277-E291 PolarHBondContact ND1-OE2 3.22Å; W278-E291 PolarHBondContact N-O 3.34Å
292	L	98.4	Very high	96.9	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.063	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-96.2	126.4	-176.7	-167.8	75	0	0	0	110.6	L211 V212 Y230 C231 I234 W278 L298	L211-L292 HydrophobicContact CD1-CB 4.41Å; L211-L292 HydrophobicContact CD1-CD1 4.49Å; L211-L292 HydrophobicContact CD1-CD2 4.27Å; L211-L292 HydrophobicContact CD2-CB 3.75Å; L211-L292 HydrophobicContact CD2-CD2 3.92Å; L211-L292 HydrophobicContact CD2-CG 4.43Å; L211-L292 HydrophobicContact CG-CB 4.14Å; V212-L292 PolarHBondContact O-N 3.33Å; Y230-L292 HydrophobicContact CD1-CD2 4.37Å; Y230-L292 HydrophobicContact CE1-CD2 3.58Å; Y230-L292 HydrophobicContact CE1-CG 4.19Å; C231-L292 HydrophobicContact CB-CD2 4.12Å; I234-L292 HydrophobicContact CB-CD2 4.27Å; I234-L292 HydrophobicContact CD1-CD1 4.26Å; I234-L292 HydrophobicContact CD1-CD2 3.82Å; I234-L292 HydrophobicContact CG2-CD1 4.38Å; I234-L292 HydrophobicContact CG2-CD2 4.41Å; W278-L292 HydrophobicContact CB-CD1 4.08Å; W278-L292 HydrophobicContact CD2-CD1 3.83Å; W278-L292 HydrophobicContact CE3-CD1 3.82Å; W278-L292 HydrophobicContact CG-CD1 3.95Å; L292-L298 HydrophobicContact CD1-CD1 3.7Å
293	P	97.6	Very high	97	Very high	42 Å²	42	54.8 Å²	54.8	27%	0.273	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-76	173.5	175.8	33.7	-36.8	0	0	0	111.8	Y230 L298	Y230-P293 WeakPolarHBondContact CE1-O 3.28Å; Y230-P293 PolarHBondContact OH-O 3.39Å; P293-L298 HydrophobicContact CG-CD1 4.09Å
294	I	97.1	Very high	97	Very high	62 Å²	62	50.3 Å²	50.3	32%	0.318	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-58.8	149.3	167.5	63.3	173.2	0	0	0	110.4	K217 D296 S297 L298	K217-I294 HydrophobicContact CB-CG2 4.29Å; K217-I294 HydrophobicContact CD-CB 4.39Å; K217-I294 HydrophobicContact CD-CG2 3.96Å; K217-I294 HydrophobicContact CG-CG2 3.94Å; I294-D296 HydrophobicContact CD1-CB 3.97Å; I294-D296 HydrophobicContact CG1-CB 4.17Å; I294-D296 PolarHBondContact O-N 3.14Å; I294-S297 WeakPolarHBondContact CG1-OG 3.37Å; I294-S297 PolarHBondContact O-N 3.35Å; I294-S297 PolarHBondContact O-OG 2.87Å; I294-L298 PolarHBondContact O-N 3.19Å
295	V	95.4	Very high	97.1	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.079	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.2	-29.2	-176.8	67.7	0	0	0	0	113.4	Y230 S297 L298	Y230-V295 HydrophobicContact CD1-CB 4.49Å; Y230-V295 HydrophobicContact CD2-CB 4.04Å; Y230-V295 HydrophobicContact CD2-CG2 4.01Å; Y230-V295 HydrophobicContact CE1-CB 4.3Å; Y230-V295 HydrophobicContact CE2-CB 3.79Å; Y230-V295 HydrophobicContact CE2-CG2 3.74Å; Y230-V295 HydrophobicContact CG-CB 4.37Å; V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.05Å; V295-L298 WeakPolarHBondContact O-CB 3.41Å; V295-L298 PolarHBondContact O-N 2.83Å
296	D	94.5	Very high	97.2	Very high	112 Å²	112	44.2 Å²	44.2	60%	0.599	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-64.5	-27.3	179.7	-47.8	-113	0	0	0	113.1	K217 I294	K217-D296 WeakPolarHBondContact CE-OD2 3.21Å; K217-D296 IonicContact NZ-OD2 2.66Å; K217-D296 PolarHBondContact NZ-OD2 2.7Å; I294-D296 HydrophobicContact CD1-CB 3.97Å; I294-D296 HydrophobicContact CG1-CB 4.17Å; I294-D296 PolarHBondContact O-N 3.14Å
297	S	95.6	Very high	97.3	Very high	66 Å²	66	39.3 Å²	39.3	46%	0.462	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-116.3	13.3	178.6	58.2	0	0	0	0	113.1	I294 V295 H299	I294-S297 WeakPolarHBondContact CG1-OG 3.37Å; I294-S297 PolarHBondContact O-N 3.35Å; I294-S297 PolarHBondContact O-OG 2.87Å; V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.05Å; S297-H299 PolarHBondContact O-N 3.03Å
298	L	96.8	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	-75.5	109.8	-179	-179.5	69.6	0	0	0	111.6	Y230 I234 W278 L292 P293 I294 V295 R301 P302	Y230-L298 HydrophobicContact CE2-CD2 3.7Å; Y230-L298 VanDerWaalsContact OH-CD1 3.28Å; Y230-L298 WeakPolarHBondContact OH-CD1 3.41Å; Y230-L298 WeakPolarHBondContact OH-CD2 3.21Å; Y230-L298 WeakPolarHBondContact OH-CG 3.45Å; I234-L298 HydrophobicContact CD1-CD2 4.07Å; W278-L298 VanDerWaalsContact CD1-CD1 3.45Å; W278-L298 HydrophobicContact CD2-CD1 4.24Å; W278-L298 HydrophobicContact CG-CD1 3.9Å; L292-L298 HydrophobicContact CD1-CD1 3.7Å; P293-L298 HydrophobicContact CG-CD1 4.09Å; I294-L298 PolarHBondContact O-N 3.19Å; V295-L298 WeakPolarHBondContact O-CB 3.41Å; V295-L298 PolarHBondContact O-N 2.83Å; L298-R301 HydrophobicContact CD2-CG 4.32Å; L298-R301 VanDerWaalsContact O-CG 3.32Å; L298-R301 WeakPolarHBondContact O-CG 3.48Å; L298-P302 VanDerWaalsContact CD2-CD 3.45Å; L298-P302 HydrophobicContact CD2-CG 4.32Å
299	H	95.1	Very high	97.3	Very high	137 Å²	137	37.3 Å²	37.3	63%	0.634	20%	0.201	S	C	*	.	S	Bend	trans	-141.7	133.8	173.3	-65.4	-71.5	0	0	0	111.6	S297	S297-H299 PolarHBondContact O-N 3.03Å
300	P	97.3	Very high	97.3	Very high	71 Å²	71	37.3 Å²	37.3	46%	0.461	20%	0.201	S	C	.	.	S	Bend	cis	-68.8	155.3	-10.3	31.4	-35.3	0	0	0	111.6	W278 S279	W278-P300 PolarHBondContact NE1-O 3.05Å; S279-P300 WeakPolarHBondContact O-CD 3.37Å
301	R	97.3	Very high	97.3	Very high	91 Å²	91	42.7 Å²	42.7	34%	0.343	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-79.7	122.9	177.1	-68	173.8	58.8	93.2	-5	110	L298 L305 G502 N504	L298-R301 HydrophobicContact CD2-CG 4.32Å; L298-R301 VanDerWaalsContact O-CG 3.32Å; L298-R301 WeakPolarHBondContact O-CG 3.48Å; R301-L305 HydrophobicContact CB-CD1 4.21Å; R301-L305 VanDerWaalsContact NH2-CD1 3.32Å; R301-G502 PolarHBondContact NH1-O 2.81Å; R301-G502 PolarHBondContact NH2-O 3.05Å; R301-N504 PolarHBondContact NH2-OD1 3.04Å
302	P	97.2	Very high	97.3	Very high	10 Å²	10	43.2 Å²	43.2	7%	0.065	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-72.5	164	174.5	31.4	-32.8	0	0	0	111.2	I234 W278 L298 Y304 L305	I234-P302 HydrophobicContact CD1-CG 3.65Å; I234-P302 HydrophobicContact CG1-CG 3.79Å; I234-P302 HydrophobicContact CG2-CG 4.23Å; W278-P302 HydrophobicContact CH2-CB 3.9Å; W278-P302 HydrophobicContact CH2-CG 4.04Å; W278-P302 HydrophobicContact CZ2-CB 3.82Å; W278-P302 HydrophobicContact CZ2-CG 3.82Å; L298-P302 VanDerWaalsContact CD2-CD 3.45Å; L298-P302 HydrophobicContact CD2-CG 4.32Å; P302-Y304 HydrophobicContact CB-CD2 4.03Å; P302-Y304 PolarHBondContact O-N 3.08Å; P302-L305 WeakPolarHBondContact O-CD1 3.21Å
303	P	97.7	Very high	97.4	Very high	63 Å²	63	42.8 Å²	42.8	41%	0.409	23%	0.228	S	C	.	.	S	Bend	trans	-71.7	-17.1	179	30.7	-36.3	0	0	0	113.2	L305 V566	P303-L305 PolarHBondContact O-N 2.85Å; P303-V566 HydrophobicContact CB-CG1 3.88Å; P303-V566 HydrophobicContact CB-CG2 4.24Å; P303-V566 HydrophobicContact CG-CG1 4.24Å; P303-V566 WeakPolarHBondContact O-CG2 3.36Å
304	Y	98.2	Very high	97.4	Very high	20 Å²	20	41 Å²	41	8%	0.078	22%	0.217	C	C	.	.			trans	-78.8	52.6	-172.9	-45.8	-63.6	0	0	0	113.7	G237 T238 E281 P302 V566 Y568	G237-Y304 PolarHBondContact O-OH 2.99Å; T238-Y304 HydrophobicContact CG2-CD2 4.18Å; T238-Y304 HydrophobicContact CG2-CE2 3.9Å; E281-Y304 PolarHBondContact OE1-OH 2.76Å; E281-Y304 WeakPolarHBondContact OE2-CE2 3.41Å; E281-Y304 PolarHBondContact OE2-OH 3.05Å; P302-Y304 HydrophobicContact CB-CD2 4.03Å; P302-Y304 PolarHBondContact O-N 3.08Å; Y304-V566 HydrophobicContact CD1-CG1 3.82Å; Y304-V566 HydrophobicContact CE1-CG1 4.03Å; Y304-Y568 WeakPolarHBondContact CA-OH 3.19Å; Y304-Y568 WeakPolarHBondContact CB-OH 3.43Å; Y304-Y568 AromaticContact CD1-CD1 3.69Å; Y304-Y568 HydrophobicContact CD1-CD1 3.69Å; Y304-Y568 HydrophobicContact CD1-CD2 4.18Å; Y304-Y568 AromaticContact CD1-CE1 3.53Å; Y304-Y568 HydrophobicContact CD1-CE1 3.53Å; Y304-Y568 HydrophobicContact CD1-CE2 4.01Å; Y304-Y568 HydrophobicContact CD1-CG 4.06Å; Y304-Y568 AromaticContact CD1-CZ 3.72Å; Y304-Y568 HydrophobicContact CE1-CD1 4.28Å; Y304-Y568 HydrophobicContact CE1-CG 4.44Å; Y304-Y568 HydrophobicContact CG-CD1 4.48Å; Y304-Y568 AromaticContact CG-CE1 3.96Å; Y304-Y568 HydrophobicContact CG-CE1 3.96Å; Y304-Y568 PolarHBondContact O-OH 3.27Å
305	L	97.9	Very high	97.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.235	C	C	.	.			trans	-126.1	148.2	-176.6	-63.8	175.7	0	0	0	111.1	Y230 I234 R301 P302 P303 A308	Y230-L305 HydrophobicContact CD2-CD2 3.56Å; Y230-L305 HydrophobicContact CE2-CD2 3.61Å; I234-L305 HydrophobicContact CD1-CD2 3.97Å; I234-L305 HydrophobicContact CG1-CD2 4.25Å; R301-L305 HydrophobicContact CB-CD1 4.21Å; R301-L305 VanDerWaalsContact NH2-CD1 3.32Å; P302-L305 WeakPolarHBondContact O-CD1 3.21Å; P303-L305 PolarHBondContact O-N 2.85Å; L305-A308 PolarHBondContact O-N 3.07Å
306	P	97.9	Very high	97.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.013	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	152.7	169.3	-23.4	34.5	0	0	0	111.3	M233 A308 V329 F500 Q503 N504	M233-P306 HydrophobicContact CE-CG 3.71Å; M233-P306 HydrophobicContact SD-CG 3.69Å; P306-A308 VanDerWaalsContact C-N 3.33Å; P306-V329 HydrophobicContact CB-CG2 4.3Å; P306-V329 HydrophobicContact CG-CG2 3.94Å; P306-F500 HydrophobicContact CB-CB 3.84Å; P306-F500 HydrophobicContact CB-CD1 4.24Å; P306-F500 HydrophobicContact CB-CG 4.06Å; P306-F500 HydrophobicContact CG-CB 4.1Å; P306-F500 HydrophobicContact CG-CD1 3.68Å; P306-F500 HydrophobicContact CG-CD2 4.21Å; P306-F500 HydrophobicContact CG-CE1 4.1Å; P306-F500 HydrophobicContact CG-CG 3.73Å; P306-Q503 HydrophobicContact CB-CB 4.28Å; P306-Q503 CarbonylContact O-C 3.6Å; P306-Q503 VanDerWaalsContact O-CA 3.26Å; P306-Q503 WeakPolarHBondContact O-CA 3.41Å; P306-Q503 VanDerWaalsContact O-CB 3.31Å; P306-Q503 WeakPolarHBondContact O-CB 3.2Å; P306-N504 PolarHBondContact O-N 3.1Å
307	L	97.8	Very high	97.8	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.2	21.6	2.2	-63.2	172.9	0	0	0	113	A325 Y498 Q503 H506	L307-A325 HydrophobicContact CB-CB 3.72Å; L307-A325 HydrophobicContact CD2-CB 3.89Å; L307-A325 HydrophobicContact CG-CB 4.35Å; L307-A325 VanDerWaalsContact O-CB 3.29Å; L307-A325 WeakPolarHBondContact O-CB 3.46Å; L307-Y498 HydrophobicContact CD2-CD1 4.34Å; L307-Y498 HydrophobicContact CD2-CE1 3.91Å; L307-Q503 HydrophobicContact CG-CB 4.46Å; L307-H506 HydrophobicContact CD1-CB 4.11Å
308	A	98.1	Very high	97.9	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	22%	0.218	C	C	.	.			trans	-75.1	147.7	179.6	0	0	0	0	0	112.3	L305 P306 E564 V566	L305-A308 PolarHBondContact O-N 3.07Å; P306-A308 VanDerWaalsContact C-N 3.33Å; A308-E564 VanDerWaalsContact CA-O 3.25Å; A308-E564 WeakPolarHBondContact CA-O 3.48Å; A308-E564 HydrophobicContact CB-CB 4.02Å; A308-V566 HydrophobicContact CB-CB 4.37Å; A308-V566 HydrophobicContact CB-CG2 3.56Å
309	I	98.6	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.5	178.5	66.7	178.7	0	0	0	111.9	E311 A314 L317 P324 W328 I563 E564 T565 V566	I309-E311 PolarHBondContact O-N 3.2Å; I309-A314 HydrophobicContact CD1-CB 3.79Å; I309-A314 HydrophobicContact CG1-CB 4.22Å; I309-L317 HydrophobicContact CD1-CD1 4.35Å; I309-P324 HydrophobicContact CD1-CB 3.66Å; I309-P324 HydrophobicContact CD1-CG 4.47Å; I309-P324 HydrophobicContact CG2-CB 3.97Å; I309-P324 WeakPolarHBondContact CG2-O 3.15Å; I309-W328 HydrophobicContact CG2-CB 4.09Å; I309-I563 HydrophobicContact CD1-CG2 3.58Å; I309-I563 HydrophobicContact CG1-CG2 4.08Å; I309-E564 PolarHBondContact N-O 2.79Å; I309-T565 HydrophobicContact CG1-CG2 4.06Å; I309-T565 CarbonylContact O-C 3.6Å; I309-T565 WeakPolarHBondContact O-CA 3.37Å; I309-V566 PolarHBondContact O-N 3.34Å
310	P	98.8	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	127.5	173.9	-24.8	36.1	0	0	0	112.7	D312 L313 A314 W328 V566 Y568	P310-D312 VanDerWaalsContact CB-OD1 3.25Å; P310-D312 WeakPolarHBondContact CB-OD1 3.48Å; P310-D312 PolarHBondContact O-N 3.38Å; P310-L313 HydrophobicContact CB-CB 4.31Å; P310-L313 HydrophobicContact CB-CD1 4.28Å; P310-L313 HydrophobicContact CB-CG 4.19Å; P310-L313 HydrophobicContact CG-CD1 4.28Å; P310-L313 PolarHBondContact O-N 3.37Å; P310-A314 PolarHBondContact O-N 3.41Å; P310-W328 VanDerWaalsContact CD-CD2 3.5Å; P310-W328 HydrophobicContact CG-CD2 3.71Å; P310-W328 VanDerWaalsContact CG-CE2 3.47Å; P310-W328 HydrophobicContact CG-CE3 3.8Å; P310-W328 HydrophobicContact CG-CH2 3.53Å; P310-W328 HydrophobicContact CG-CZ2 3.4Å; P310-W328 VanDerWaalsContact CG-CZ2 3.4Å; P310-W328 HydrophobicContact CG-CZ3 3.71Å; P310-V566 WeakPolarHBondContact CA-O 2.99Å; P310-Y568 HydrophobicContact CB-CD2 4.13Å; P310-Y568 HydrophobicContact CB-CG 4.36Å; P310-Y568 HydrophobicContact CG-CD2 3.97Å; P310-Y568 HydrophobicContact CG-CE2 4.44Å; P310-Y568 HydrophobicContact CG-CG 4.2Å
311	E	98.6	Very high	98.2	Very high	114 Å²	114	42.4 Å²	42.4	53%	0.533	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.6	178.9	-172.4	-175.8	168	0	0	112.4	I309 L313 A314 V566	I309-E311 PolarHBondContact O-N 3.2Å; E311-L313 VanDerWaalsContact C-N 3.26Å; E311-L313 PolarHBondContact O-N 2.83Å; E311-A314 PolarHBondContact O-N 3.34Å; E311-V566 PolarHBondContact N-O 2.73Å
312	D	98.5	Very high	98.2	Very high	60 Å²	60	40.6 Å²	40.6	32%	0.321	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.7	-180	68.2	-56.5	0	0	0	113.9	R195 P310 T570	R195-D312 IonicContact CZ-OD2 3.85Å; R195-D312 IonicContact NH1-OD2 2.86Å; R195-D312 PolarHBondContact NH1-OD2 3.23Å; R195-D312 IonicContact NH2-OD2 3.74Å; R195-D312 PolarHBondContact NH2-OD2 3.38Å; P310-D312 VanDerWaalsContact CB-OD1 3.25Å; P310-D312 WeakPolarHBondContact CB-OD1 3.48Å; P310-D312 PolarHBondContact O-N 3.38Å; D312-T570 HydrophobicContact CB-CG2 4.03Å
313	L	98.5	Very high	98.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-13.9	-179.2	-57.8	-176.9	0	0	0	113	L188 L191 V192 P310 E311 D315 R316 L317 W328	L188-L313 HydrophobicContact CD2-CD2 4.18Å; L191-L313 HydrophobicContact CD2-CD2 3.95Å; V192-L313 HydrophobicContact CG2-CD1 3.67Å; P310-L313 HydrophobicContact CB-CB 4.31Å; P310-L313 HydrophobicContact CB-CD1 4.28Å; P310-L313 HydrophobicContact CB-CG 4.19Å; P310-L313 HydrophobicContact CG-CD1 4.28Å; P310-L313 PolarHBondContact O-N 3.37Å; E311-L313 VanDerWaalsContact C-N 3.26Å; E311-L313 PolarHBondContact O-N 2.83Å; L313-D315 PolarHBondContact O-N 3.16Å; L313-R316 PolarHBondContact O-N 3.38Å; L313-R316 VanDerWaalsContact O-N 3.12Å; L313-L317 HydrophobicContact CB-CD1 3.87Å; L313-L317 HydrophobicContact CB-CG 4.24Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 3.18Å; L313-W328 HydrophobicContact CD1-CZ3 4.34Å
314	A	98.4	Very high	98.3	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-53.4	-52.3	-169.9	0	0	0	0	0	113.3	I309 P310 E311 R316 L317 I318 T565	I309-A314 HydrophobicContact CD1-CB 3.79Å; I309-A314 HydrophobicContact CG1-CB 4.22Å; P310-A314 PolarHBondContact O-N 3.41Å; E311-A314 PolarHBondContact O-N 3.34Å; A314-R316 VanDerWaalsContact C-N 3.28Å; A314-R316 PolarHBondContact O-N 2.96Å; A314-L317 PolarHBondContact O-N 3.09Å; A314-I318 WeakPolarHBondContact O-CB 3.39Å; A314-I318 WeakPolarHBondContact O-CD1 2.98Å; A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.91Å; A314-T565 HydrophobicContact CB-CG2 3.58Å
315	D	98.4	Very high	98.3	Very high	132 Å²	132	39.1 Å²	39.1	71%	0.706	20%	0.201	S	C	*	.	H	α-helix	trans	-63.1	-33.8	-178.2	-73.5	-14.9	0	0	0	113.3	L313	L313-D315 PolarHBondContact O-N 3.16Å
316	R	98.5	Very high	98.4	Very high	82 Å²	82	39 Å²	39	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-73.9	-43.1	177.7	-63.5	179.4	67.4	-165.9	-0.4	110.4	E184 L188 L313 A314 R319 V320	E184-R316 IonicContact OE1-CZ 2.63Å; E184-R316 IonicContact OE1-NE 3.5Å; E184-R316 PolarHBondContact OE1-NE 3.39Å; E184-R316 IonicContact OE1-NH2 3.07Å; E184-R316 PolarHBondContact OE1-NH2 2.88Å; E184-R316 IonicContact OE2-NH2 2.94Å; E184-R316 PolarHBondContact OE2-NH2 3.43Å; L188-R316 HydrophobicContact CD1-CB 4.17Å; L188-R316 HydrophobicContact CD2-CB 3.99Å; L188-R316 VanDerWaalsContact CD2-CZ 3.46Å; L313-R316 PolarHBondContact O-N 3.38Å; L313-R316 VanDerWaalsContact O-N 3.12Å; A314-R316 VanDerWaalsContact C-N 3.28Å; A314-R316 PolarHBondContact O-N 2.96Å; R316-R319 WeakPolarHBondContact O-CB 3.34Å; R316-R319 PolarHBondContact O-N 3.32Å; R316-V320 WeakPolarHBondContact O-CG2 3.37Å; R316-V320 PolarHBondContact O-N 3.27Å
317	L	98.5	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-45.3	178.9	-70.5	172.2	0	0	0	112.4	L188 I309 L313 A314 R319 V320 H321 P324 W327	L188-L317 HydrophobicContact CD1-CD2 3.99Å; I309-L317 HydrophobicContact CD1-CD1 4.35Å; L313-L317 HydrophobicContact CB-CD1 3.87Å; L313-L317 HydrophobicContact CB-CG 4.24Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 3.18Å; A314-L317 PolarHBondContact O-N 3.09Å; L317-R319 PolarHBondContact O-N 3.01Å; L317-R319 VanDerWaalsContact O-N 3.16Å; L317-V320 PolarHBondContact O-N 2.9Å; L317-H321 PolarHBondContact O-N 3.35Å; L317-P324 HydrophobicContact CB-CB 3.99Å; L317-P324 HydrophobicContact CB-CG 4.25Å; L317-P324 HydrophobicContact CD1-CB 4.47Å; L317-W327 HydrophobicContact CD1-CE3 3.78Å; L317-W327 HydrophobicContact CD1-CZ3 3.95Å; L317-W327 HydrophobicContact CD2-CD2 3.37Å; L317-W327 HydrophobicContact CD2-CE3 3.23Å; L317-W327 HydrophobicContact CD2-CG 4.02Å; L317-W327 HydrophobicContact CD2-CH2 3.91Å; L317-W327 HydrophobicContact CD2-CZ2 4.02Å; L317-W327 HydrophobicContact CD2-CZ3 3.52Å; L317-W327 HydrophobicContact CG-CE3 4.15Å; L317-W327 HydrophobicContact CG-CZ3 4.3Å
318	I	98.2	Very high	98.5	Very high	89 Å²	89	37.9 Å²	37.9	46%	0.456	19%	0.194	S	C	.	.	H	α-helix	trans	-59.4	-29.6	178.3	-68.9	166.4	0	0	0	111.7	A314 P324 I563	A314-I318 WeakPolarHBondContact O-CB 3.39Å; A314-I318 WeakPolarHBondContact O-CD1 2.98Å; A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.91Å; I318-P324 HydrophobicContact CG1-CG 4.18Å; I318-I563 HydrophobicContact CD1-CD1 3.74Å; I318-I563 HydrophobicContact CD1-CG2 4.49Å; I318-I563 HydrophobicContact CG1-CD1 3.54Å
319	R	97.8	Very high	98.5	Very high	177 Å²	177	37.6 Å²	37.6	67%	0.668	19%	0.192	S	C	*	.	H	α-helix	trans	-76.2	-24.9	177.9	-164.3	-175.2	-62.8	-126.5	-0.1	113.1	W180 R316 L317	W180-R319 HydrophobicContact CH2-CB 4.32Å; W180-R319 HydrophobicContact CH2-CG 3.58Å; W180-R319 HydrophobicContact CZ2-CG 4.4Å; W180-R319 HydrophobicContact CZ3-CG 4.25Å; R316-R319 WeakPolarHBondContact O-CB 3.34Å; R316-R319 PolarHBondContact O-N 3.32Å; L317-R319 PolarHBondContact O-N 3.01Å; L317-R319 VanDerWaalsContact O-N 3.16Å
320	V	98.1	Very high	98.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-108.5	-37.7	-169	174.6	0	0	0	0	112.3	W180 R181 E184 A185 L188 R316 L317 D486	W180-V320 HydrophobicContact CH2-CG2 3.84Å; W180-V320 HydrophobicContact CZ3-CG2 4.2Å; R181-V320 HydrophobicContact CG-CG1 3.91Å; E184-V320 HydrophobicContact CB-CG2 4.01Å; E184-V320 HydrophobicContact CG-CG2 3.41Å; E184-V320 VanDerWaalsContact CG-CG2 3.41Å; A185-V320 HydrophobicContact CB-CG1 3.8Å; L188-V320 HydrophobicContact CD1-CG2 4.43Å; R316-V320 WeakPolarHBondContact O-CG2 3.37Å; R316-V320 PolarHBondContact O-N 3.27Å; L317-V320 PolarHBondContact O-N 2.9Å; V320-D486 WeakPolarHBondContact O-CB 3.45Å
321	H	98.6	Very high	98.5	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.023	19%	0.192	C	C	.	.			trans	-127.4	131.8	-164.5	-154.9	-85.6	0	0	0	111.8	L317 D323 W327 Q481 D486	L317-H321 PolarHBondContact O-N 3.35Å; H321-D323 VanDerWaalsContact C-N 3.31Å; H321-D323 PolarHBondContact CE1-O 3.28Å; H321-D323 VanDerWaalsContact ND1-C 3.31Å; H321-D323 PolarHBondContact ND1-N 3.46Å; H321-D323 PolarHBondContact ND1-O 3.16Å; H321-D323 PolarHBondContact O-N 2.89Å; H321-W327 AromaticContact CD2-CD1 3.56Å; H321-W327 AromaticContact NE2-CD1 3.87Å; H321-Q481 PolarHBondContact CE1-OE1 3.43Å; H321-Q481 PolarHBondContact NE2-OE1 3.44Å; H321-Q481 VanDerWaalsContact NE2-OE1 3.1Å; H321-D486 IonicContact CD2-OD1 2.71Å; H321-D486 IonicContact CE1-OD1 3.7Å; H321-D486 IonicContact CG-OD1 3.4Å; H321-D486 IonicContact ND1-OD1 3.95Å; H321-D486 IonicContact NE2-OD1 3.01Å
322	G	98.3	Very high	98.5	Very high	54 Å²	54	32.2 Å²	32.2	56%	0.557	17%	0.167	S	C	*	.	S	Bend	trans	-71.7	-21.8	-177.2	0	0	0	0	0	114.7	D486 S488	G322-D486 VanDerWaalsContact N-CG 3.35Å; G322-D486 PolarHBondContact N-OD1 2.87Å; G322-D486 VanDerWaalsContact N-OD1 3.16Å; G322-D486 PolarHBondContact N-OD2 3.09Å; G322-S488 VanDerWaalsContact CA-OG 3.31Å; G322-S488 WeakPolarHBondContact CA-OG 3.39Å
323	D	98.5	Very high	98.6	Very high	44 Å²	44	29.3 Å²	29.3	24%	0.235	15%	0.151	C	C	.	.			trans	-133.6	91	171.2	-177.4	-12.2	0	0	0	110.5	H321 A325 V326 W327	H321-D323 VanDerWaalsContact C-N 3.31Å; H321-D323 PolarHBondContact CE1-O 3.28Å; H321-D323 VanDerWaalsContact ND1-C 3.31Å; H321-D323 PolarHBondContact ND1-N 3.46Å; H321-D323 PolarHBondContact ND1-O 3.16Å; H321-D323 PolarHBondContact O-N 2.89Å; D323-A325 PolarHBondContact O-N 3.42Å; D323-A325 WeakPolarHBondContact OD1-CB 3.48Å; D323-A325 PolarHBondContact OD1-N 2.86Å; D323-V326 HydrophobicContact CB-CG1 3.73Å; D323-V326 VanDerWaalsContact O-CG1 3.26Å; D323-V326 WeakPolarHBondContact O-CG1 3.25Å; D323-V326 PolarHBondContact OD1-N 3.29Å; D323-W327 PolarHBondContact O-N 2.85Å
324	P	98.6	Very high	98.6	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.045	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-24.1	-179.9	-30.6	40	0	0	0	114.8	I309 L317 I318 W327 W328 I563	I309-P324 HydrophobicContact CD1-CB 3.66Å; I309-P324 HydrophobicContact CD1-CG 4.47Å; I309-P324 HydrophobicContact CG2-CB 3.97Å; I309-P324 WeakPolarHBondContact CG2-O 3.15Å; L317-P324 HydrophobicContact CB-CB 3.99Å; L317-P324 HydrophobicContact CB-CG 4.25Å; L317-P324 HydrophobicContact CD1-CB 4.47Å; I318-P324 HydrophobicContact CG1-CG 4.18Å; P324-W327 PolarHBondContact O-N 3.35Å; P324-W328 PolarHBondContact O-N 3.24Å; P324-I563 HydrophobicContact CG-CD1 4.19Å
325	A	98.6	Very high	98.6	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-70.6	-47	-176.4	0	0	0	0	0	111	L307 D323 W327 W328 V329	L307-A325 HydrophobicContact CB-CB 3.72Å; L307-A325 HydrophobicContact CD2-CB 3.89Å; L307-A325 HydrophobicContact CG-CB 4.35Å; L307-A325 VanDerWaalsContact O-CB 3.29Å; L307-A325 WeakPolarHBondContact O-CB 3.46Å; D323-A325 PolarHBondContact O-N 3.42Å; D323-A325 WeakPolarHBondContact OD1-CB 3.48Å; D323-A325 PolarHBondContact OD1-N 2.86Å; A325-W327 VanDerWaalsContact C-N 3.31Å; A325-W327 PolarHBondContact O-N 2.81Å; A325-W328 PolarHBondContact O-N 2.92Å; A325-V329 WeakPolarHBondContact O-CG2 3.43Å; A325-V329 PolarHBondContact O-N 3.47Å; A325-V329 VanDerWaalsContact O-N 3.09Å
326	V	98.8	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-35.9	174.6	67.6	0	0	0	0	111.6	D323 W328 V329 S330 Y477 E478 Q481 Y498	D323-V326 HydrophobicContact CB-CG1 3.73Å; D323-V326 VanDerWaalsContact O-CG1 3.26Å; D323-V326 WeakPolarHBondContact O-CG1 3.25Å; D323-V326 PolarHBondContact OD1-N 3.29Å; V326-W328 VanDerWaalsContact C-N 3.3Å; V326-W328 PolarHBondContact O-N 3.06Å; V326-V329 PolarHBondContact O-N 3.1Å; V326-S330 WeakPolarHBondContact O-CB 3.39Å; V326-S330 PolarHBondContact O-N 3.34Å; V326-Y477 HydrophobicContact CB-CE1 4.2Å; V326-Y477 HydrophobicContact CG1-CE1 4.18Å; V326-Y477 HydrophobicContact CG2-CD1 3.95Å; V326-Y477 HydrophobicContact CG2-CE1 3.67Å; V326-E478 HydrophobicContact CG2-CB 4.46Å; V326-E478 HydrophobicContact CG2-CG 3.74Å; V326-Q481 HydrophobicContact CG1-CG 3.96Å; V326-Q481 HydrophobicContact CG2-CG 3.87Å; V326-Y498 HydrophobicContact CB-CD1 4.24Å; V326-Y498 HydrophobicContact CB-CE1 3.85Å; V326-Y498 HydrophobicContact CG2-CD2 4.47Å; V326-Y498 HydrophobicContact CG2-CE1 4.14Å; V326-Y498 HydrophobicContact CG2-CE2 3.95Å
327	W	98.8	Very high	98.6	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-41.6	174.4	-176	94	0	0	0	111.5	L188 V192 L317 H321 D323 P324 A325 S330 Q331	L188-W327 HydrophobicContact CB-CH2 3.93Å; L188-W327 HydrophobicContact CB-CZ2 3.68Å; V192-W327 HydrophobicContact CG2-CH2 3.78Å; V192-W327 HydrophobicContact CG2-CZ3 4.14Å; L317-W327 HydrophobicContact CD1-CE3 3.78Å; L317-W327 HydrophobicContact CD1-CZ3 3.95Å; L317-W327 HydrophobicContact CD2-CD2 3.37Å; L317-W327 HydrophobicContact CD2-CE3 3.23Å; L317-W327 HydrophobicContact CD2-CG 4.02Å; L317-W327 HydrophobicContact CD2-CH2 3.91Å; L317-W327 HydrophobicContact CD2-CZ2 4.02Å; L317-W327 HydrophobicContact CD2-CZ3 3.52Å; L317-W327 HydrophobicContact CG-CE3 4.15Å; L317-W327 HydrophobicContact CG-CZ3 4.3Å; H321-W327 AromaticContact CD2-CD1 3.56Å; H321-W327 AromaticContact NE2-CD1 3.87Å; D323-W327 PolarHBondContact O-N 2.85Å; P324-W327 PolarHBondContact O-N 3.35Å; A325-W327 VanDerWaalsContact C-N 3.31Å; A325-W327 PolarHBondContact O-N 2.81Å; W327-S330 PolarHBondContact O-N 2.87Å; W327-S330 PolarHBondContact O-OG 2.82Å; W327-Q331 HydrophobicContact CD2-CG 4.37Å; W327-Q331 VanDerWaalsContact CE2-NE2 3.3Å; W327-Q331 HydrophobicContact CE3-CG 4.04Å; W327-Q331 HydrophobicContact CH2-CG 3.82Å; W327-Q331 HydrophobicContact CZ2-CG 4.15Å; W327-Q331 HydrophobicContact CZ3-CG 3.75Å; W327-Q331 WeakPolarHBondContact O-CG 3.34Å; W327-Q331 PolarHBondContact O-N 2.73Å
328	W	98.9	Very high	98.6	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-43.9	178.4	-179.4	-128.5	0	0	0	112.1	V192 Y236 I309 P310 L313 P324 A325 V326 S330 Q331 F332 Y568	V192-W328 HydrophobicContact CG1-CH2 4.35Å; V192-W328 HydrophobicContact CG1-CZ3 3.68Å; V192-W328 HydrophobicContact CG2-CZ3 3.96Å; Y236-W328 HydrophobicContact CD1-CH2 4.12Å; Y236-W328 HydrophobicContact CD1-CZ2 4.07Å; Y236-W328 AromaticContact CE1-CH2 3.73Å; Y236-W328 HydrophobicContact CE1-CH2 3.73Å; Y236-W328 HydrophobicContact CE1-CZ2 4.04Å; Y236-W328 AromaticContact CZ-CH2 3.97Å; I309-W328 HydrophobicContact CG2-CB 4.09Å; P310-W328 VanDerWaalsContact CD-CD2 3.5Å; P310-W328 HydrophobicContact CG-CD2 3.71Å; P310-W328 VanDerWaalsContact CG-CE2 3.47Å; P310-W328 HydrophobicContact CG-CE3 3.8Å; P310-W328 HydrophobicContact CG-CH2 3.53Å; P310-W328 HydrophobicContact CG-CZ2 3.4Å; P310-W328 VanDerWaalsContact CG-CZ2 3.4Å; P310-W328 HydrophobicContact CG-CZ3 3.71Å; L313-W328 HydrophobicContact CD1-CZ3 4.34Å; P324-W328 PolarHBondContact O-N 3.24Å; A325-W328 PolarHBondContact O-N 2.92Å; V326-W328 VanDerWaalsContact C-N 3.3Å; V326-W328 PolarHBondContact O-N 3.06Å; W328-S330 VanDerWaalsContact C-N 3.31Å; W328-S330 PolarHBondContact O-N 2.86Å; W328-Q331 PolarHBondContact O-N 1.99Å; W328-F332 AromaticContact CD2-CE2 3.92Å; W328-F332 HydrophobicContact CD2-CE2 3.92Å; W328-F332 AromaticContact CE2-CE2 3.54Å; W328-F332 AromaticContact CE2-CZ 4Å; W328-F332 HydrophobicContact CE3-CE2 4.29Å; W328-F332 AromaticContact CH2-CE2 3.95Å; W328-F332 HydrophobicContact CH2-CE2 3.95Å; W328-F332 AromaticContact CH2-CZ 3.79Å; W328-F332 HydrophobicContact CH2-CZ 3.79Å; W328-F332 AromaticContact CZ2-CE2 3.56Å; W328-F332 HydrophobicContact CZ2-CE2 3.56Å; W328-F332 AromaticContact CZ2-CZ 3.51Å; W328-F332 HydrophobicContact CZ2-CZ 3.51Å; W328-F332 HydrophobicContact CZ3-CE2 4.3Å; W328-F332 HydrophobicContact CZ3-CZ 4.5Å; W328-F332 VanDerWaalsContact O-CD2 3.3Å; W328-F332 WeakPolarHBondContact O-CD2 3.32Å; W328-Y568 HydrophobicContact CZ2-CD1 4.19Å; W328-Y568 HydrophobicContact CZ2-CE1 4.01Å; W328-Y568 AromaticContact NE1-CZ 3.73Å
329	V	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-42.8	174.5	172.3	0	0	0	0	111	V229 M233 P306 A325 V326 Q331 F332 V333 E478 F500	V229-V329 HydrophobicContact CG1-CG1 4.04Å; M233-V329 HydrophobicContact SD-CG2 4.34Å; P306-V329 HydrophobicContact CB-CG2 4.3Å; P306-V329 HydrophobicContact CG-CG2 3.94Å; A325-V329 WeakPolarHBondContact O-CG2 3.43Å; A325-V329 PolarHBondContact O-N 3.47Å; A325-V329 VanDerWaalsContact O-N 3.09Å; V326-V329 PolarHBondContact O-N 3.1Å; V329-Q331 PolarHBondContact O-N 3.03Å; V329-F332 PolarHBondContact O-N 3.18Å; V329-V333 HydrophobicContact CG1-CG2 4.43Å; V329-V333 PolarHBondContact O-N 2.8Å; V329-E478 HydrophobicContact CG1-CG 4.14Å; V329-F500 HydrophobicContact CG1-CD2 3.95Å; V329-F500 HydrophobicContact CG1-CE2 3.94Å; V329-F500 HydrophobicContact CG2-CD2 4.24Å
330	S	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-26.7	-176.2	77.4	0	0	0	0	113.7	V326 W327 W328 F332 V333 K334 E478	V326-S330 WeakPolarHBondContact O-CB 3.39Å; V326-S330 PolarHBondContact O-N 3.34Å; W327-S330 PolarHBondContact O-N 2.87Å; W327-S330 PolarHBondContact O-OG 2.82Å; W328-S330 VanDerWaalsContact C-N 3.31Å; W328-S330 PolarHBondContact O-N 2.86Å; S330-F332 VanDerWaalsContact C-N 3.31Å; S330-F332 PolarHBondContact O-N 3.07Å; S330-V333 PolarHBondContact O-N 2.71Å; S330-K334 VanDerWaalsContact O-CB 3.3Å; S330-K334 WeakPolarHBondContact O-CB 3.44Å; S330-K334 PolarHBondContact O-N 3.3Å; S330-E478 WeakPolarHBondContact CB-O 3.48Å
331	Q	98.9	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-37.5	176.4	-61.8	-49.9	-50.2	0	0	112.7	V192 Q193 I196 W327 W328 V329 Y335	V192-Q331 HydrophobicContact CB-CG 4.26Å; V192-Q331 HydrophobicContact CG1-CB 3.7Å; V192-Q331 HydrophobicContact CG1-CG 3.88Å; Q193-Q331 PolarHBondContact NE2-O 3.29Å; Q193-Q331 VanDerWaalsContact NE2-OE1 3.14Å; I196-Q331 HydrophobicContact CD1-CB 4.49Å; W327-Q331 HydrophobicContact CD2-CG 4.37Å; W327-Q331 VanDerWaalsContact CE2-NE2 3.3Å; W327-Q331 HydrophobicContact CE3-CG 4.04Å; W327-Q331 HydrophobicContact CH2-CG 3.82Å; W327-Q331 HydrophobicContact CZ2-CG 4.15Å; W327-Q331 HydrophobicContact CZ3-CG 3.75Å; W327-Q331 WeakPolarHBondContact O-CG 3.34Å; W327-Q331 PolarHBondContact O-N 2.73Å; W328-Q331 PolarHBondContact O-N 1.99Å; V329-Q331 PolarHBondContact O-N 3.03Å; Q331-Y335 PolarHBondContact O-N 3.01Å
332	F	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-74.9	-40.8	176	-62.2	-83.2	0	0	0	111.1	I196 V229 F232 M233 Y236 W328 V329 S330 K334 Y335 L336	I196-F332 HydrophobicContact CD1-CD1 4.11Å; I196-F332 HydrophobicContact CD1-CE1 4.13Å; I196-F332 HydrophobicContact CG1-CE1 4.39Å; V229-F332 HydrophobicContact CG1-CB 4.01Å; F232-F332 HydrophobicContact CB-CD1 3.84Å; F232-F332 HydrophobicContact CD1-CB 4.3Å; F232-F332 AromaticContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD2-CD1 4.06Å; F232-F332 HydrophobicContact CD2-CE1 4.3Å; F232-F332 HydrophobicContact CE1-CD1 4.4Å; F232-F332 AromaticContact CG-CD1 3.61Å; F232-F332 HydrophobicContact CG-CD1 3.61Å; F232-F332 HydrophobicContact CG-CE1 4.28Å; M233-F332 HydrophobicContact CG-CD1 4.42Å; M233-F332 HydrophobicContact CG-CD2 3.59Å; M233-F332 HydrophobicContact CG-CE1 4.36Å; M233-F332 HydrophobicContact CG-CE2 3.55Å; M233-F332 HydrophobicContact CG-CG 4.04Å; M233-F332 HydrophobicContact CG-CZ 3.95Å; M233-F332 HydrophobicContact SD-CD2 4.44Å; Y236-F332 HydrophobicContact CD1-CZ 4.4Å; Y236-F332 HydrophobicContact CD2-CE1 4.18Å; Y236-F332 HydrophobicContact CD2-CZ 4.36Å; Y236-F332 HydrophobicContact CG-CE1 4.04Å; Y236-F332 HydrophobicContact CG-CZ 4.02Å; W328-F332 AromaticContact CD2-CE2 3.92Å; W328-F332 HydrophobicContact CD2-CE2 3.92Å; W328-F332 AromaticContact CE2-CE2 3.54Å; W328-F332 AromaticContact CE2-CZ 4Å; W328-F332 HydrophobicContact CE3-CE2 4.29Å; W328-F332 AromaticContact CH2-CE2 3.95Å; W328-F332 HydrophobicContact CH2-CE2 3.95Å; W328-F332 AromaticContact CH2-CZ 3.79Å; W328-F332 HydrophobicContact CH2-CZ 3.79Å; W328-F332 AromaticContact CZ2-CE2 3.56Å; W328-F332 HydrophobicContact CZ2-CE2 3.56Å; W328-F332 AromaticContact CZ2-CZ 3.51Å; W328-F332 HydrophobicContact CZ2-CZ 3.51Å; W328-F332 HydrophobicContact CZ3-CE2 4.3Å; W328-F332 HydrophobicContact CZ3-CZ 4.5Å; W328-F332 VanDerWaalsContact O-CD2 3.3Å; W328-F332 WeakPolarHBondContact O-CD2 3.32Å; V329-F332 PolarHBondContact O-N 3.18Å; S330-F332 VanDerWaalsContact C-N 3.31Å; S330-F332 PolarHBondContact O-N 3.07Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.39Å; F332-Y335 PolarHBondContact O-N 2.99Å; F332-L336 WeakPolarHBondContact O-CB 3.44Å; F332-L336 VanDerWaalsContact O-CG 3.25Å; F332-L336 WeakPolarHBondContact O-CG 3.3Å; F332-L336 PolarHBondContact O-N 2.64Å
333	V	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.9	-50.4	173.3	177.2	0	0	0	0	109.9	V229 V329 S330 Y335 L336 I337 E478 I479	V229-V333 HydrophobicContact CG2-CG2 3.65Å; V329-V333 HydrophobicContact CG1-CG2 4.43Å; V329-V333 PolarHBondContact O-N 2.8Å; S330-V333 PolarHBondContact O-N 2.71Å; V333-Y335 VanDerWaalsContact C-N 3.31Å; V333-Y335 PolarHBondContact O-N 3.19Å; V333-L336 PolarHBondContact O-N 3.37Å; V333-L336 VanDerWaalsContact O-N 3.1Å; V333-I337 HydrophobicContact CG1-CD1 4.13Å; V333-I337 HydrophobicContact CG1-CG2 4.27Å; V333-I337 WeakPolarHBondContact O-CG1 3.42Å; V333-I337 PolarHBondContact O-N 3.22Å; V333-E478 HydrophobicContact CG2-CB 4.41Å; V333-I479 HydrophobicContact CG1-CD1 4.26Å; V333-I479 HydrophobicContact CG1-CG1 3.6Å
334	K	98.8	Very high	98.5	Very high	75 Å²	75	25.6 Å²	25.6	33%	0.326	13%	0.125	S	C	.	.	H	α-helix	trans	-53.4	-44.5	178.2	-171.2	177.5	-173.4	-73	0	113	T189 Q193 S330 F332 T482	T189-K334 HydrophobicContact CG2-CD 3.99Å; Q193-K334 HydrophobicContact CG-CD 4.43Å; S330-K334 VanDerWaalsContact O-CB 3.3Å; S330-K334 WeakPolarHBondContact O-CB 3.44Å; S330-K334 PolarHBondContact O-N 3.3Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.39Å; K334-T482 HydrophobicContact CB-CG2 4.07Å; K334-T482 HydrophobicContact CD-CG2 4.07Å; K334-T482 HydrophobicContact CG-CG2 4.39Å
335	Y	98.9	Very high	98.5	Very high	2 Å²	2	31 Å²	31	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-71.1	-39.5	179.3	-172.8	-82	0	0	0	111.5	I196 Q200 F232 V263 Q331 F332 V333 R338	I196-Y335 HydrophobicContact CB-CD2 4.23Å; I196-Y335 HydrophobicContact CG2-CD1 4.01Å; I196-Y335 HydrophobicContact CG2-CD2 3.47Å; I196-Y335 VanDerWaalsContact CG2-CD2 3.47Å; I196-Y335 HydrophobicContact CG2-CE1 4.19Å; I196-Y335 HydrophobicContact CG2-CE2 3.71Å; I196-Y335 HydrophobicContact CG2-CG 3.61Å; Q200-Y335 WeakPolarHBondContact CB-OH 3.48Å; Q200-Y335 HydrophobicContact CG-CE1 4.03Å; F232-Y335 AromaticContact CE1-CD1 3.5Å; F232-Y335 HydrophobicContact CE1-CD1 3.5Å; F232-Y335 VanDerWaalsContact CE1-CD1 3.5Å; F232-Y335 HydrophobicContact CE1-CE1 4.08Å; F232-Y335 HydrophobicContact CE1-CG 4.16Å; F232-Y335 AromaticContact CZ-CD1 3.73Å; F232-Y335 HydrophobicContact CZ-CD1 3.73Å; F232-Y335 AromaticContact CZ-CE1 3.9Å; F232-Y335 HydrophobicContact CZ-CE1 3.9Å; F232-Y335 HydrophobicContact CZ-CG 4.37Å; V263-Y335 VanDerWaalsContact O-CE1 3.28Å; V263-Y335 WeakPolarHBondContact O-CE1 3.16Å; V263-Y335 PolarHBondContact O-OH 3.02Å; Q331-Y335 PolarHBondContact O-N 3.01Å; F332-Y335 PolarHBondContact O-N 2.99Å; V333-Y335 VanDerWaalsContact C-N 3.31Å; V333-Y335 PolarHBondContact O-N 3.19Å; Y335-R338 WeakPolarHBondContact O-CG 3.47Å; Y335-R338 PolarHBondContact O-NE 3.04Å
336	L	98.8	Very high	98.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-50.9	-179.5	-70.7	169.7	0	0	0	110.9	L225 V228 V229 F232 W256 V263 F332 V333 R338	L225-L336 HydrophobicContact CD1-CB 4.4Å; L225-L336 HydrophobicContact CD1-CD1 4.24Å; V228-L336 HydrophobicContact CB-CD1 4.21Å; V228-L336 HydrophobicContact CG1-CD1 3.75Å; V228-L336 HydrophobicContact CG1-CD2 3.7Å; V228-L336 HydrophobicContact CG1-CG 4.39Å; V229-L336 HydrophobicContact CG2-CD1 3.68Å; F232-L336 HydrophobicContact CD1-CD1 4.18Å; F232-L336 HydrophobicContact CD1-CD2 3.8Å; F232-L336 HydrophobicContact CD1-CG 3.88Å; F232-L336 HydrophobicContact CE1-CD2 3.97Å; F232-L336 HydrophobicContact CE1-CG 4.16Å; W256-L336 HydrophobicContact CH2-CB 4.19Å; W256-L336 HydrophobicContact CZ2-CB 3.92Å; W256-L336 HydrophobicContact CZ2-CD2 4.39Å; W256-L336 VanDerWaalsContact CZ2-O 3.31Å; W256-L336 WeakPolarHBondContact CZ2-O 3.45Å; V263-L336 HydrophobicContact CG1-CD2 3.85Å; F332-L336 WeakPolarHBondContact O-CB 3.44Å; F332-L336 VanDerWaalsContact O-CG 3.25Å; F332-L336 WeakPolarHBondContact O-CG 3.3Å; F332-L336 PolarHBondContact O-N 2.64Å; V333-L336 PolarHBondContact O-N 3.37Å; V333-L336 VanDerWaalsContact O-N 3.1Å; L336-R338 PolarHBondContact O-N 3.2Å
337	I	98.5	Very high	98.4	Very high	35 Å²	35	33.5 Å²	33.5	18%	0.179	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	19	-170	71.3	178.4	0	0	0	114.9	L225 F260 V333 P339 I479	L225-I337 HydrophobicContact CD1-CG2 4.3Å; L225-I337 HydrophobicContact CD2-CG2 4.2Å; F260-I337 HydrophobicContact CD1-CB 4.27Å; F260-I337 WeakPolarHBondContact CD1-O 3.2Å; F260-I337 HydrophobicContact CE1-CB 3.78Å; F260-I337 HydrophobicContact CE1-CG2 4.28Å; F260-I337 HydrophobicContact CZ-CB 4.17Å; F260-I337 HydrophobicContact CZ-CG2 4.15Å; V333-I337 HydrophobicContact CG1-CD1 4.13Å; V333-I337 HydrophobicContact CG1-CG2 4.27Å; V333-I337 WeakPolarHBondContact O-CG1 3.42Å; V333-I337 PolarHBondContact O-N 3.22Å; I337-P339 VanDerWaalsContact O-CD 3.24Å; I337-P339 WeakPolarHBondContact O-CD 3.49Å; I337-I479 HydrophobicContact CD1-CD1 3.45Å; I337-I479 VanDerWaalsContact CD1-CD1 3.45Å; I337-I479 HydrophobicContact CD1-CG1 3.61Å; I337-I479 HydrophobicContact CD1-CG2 4.3Å
338	R	98.6	Very high	98.3	Very high	58 Å²	58	38.3 Å²	38.3	22%	0.219	18%	0.181	C	C	.	.			trans	-58.2	112.7	174	-72.1	174.4	-64.5	145.9	16.8	108.2	F260 R261 P262 Y335 L336	F260-R338 CarbonylContact C-O 3.48Å; F260-R338 WeakPolarHBondContact CA-O 3.45Å; R261-R338 HydrophobicContact CB-CB 4.23Å; R261-R338 HydrophobicContact CG-CB 4.27Å; R261-R338 PolarHBondContact N-O 2.85Å; P262-R338 PolarHBondContact O-NH2 3.41Å; Y335-R338 WeakPolarHBondContact O-CG 3.47Å; Y335-R338 PolarHBondContact O-NE 3.04Å; L336-R338 PolarHBondContact O-N 3.2Å
339	P	98.3	Very high	98.2	Very high	34 Å²	34	42.6 Å²	42.6	22%	0.221	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-71.7	152.5	-170.5	29.4	-35.4	0	0	0	111.3	R261 I337 L343 E344	R261-P339 WeakPolarHBondContact CG-O 3.3Å; R261-P339 PolarHBondContact NE-O 3.29Å; I337-P339 VanDerWaalsContact O-CD 3.24Å; I337-P339 WeakPolarHBondContact O-CD 3.49Å; P339-L343 HydrophobicContact CB-CB 4.15Å; P339-L343 HydrophobicContact CB-CD2 3.92Å; P339-L343 HydrophobicContact CB-CG 4.09Å; P339-E344 HydrophobicContact CB-CB 4.33Å; P339-E344 HydrophobicContact CG-CB 4.02Å; P339-E344 HydrophobicContact CG-CG 4.46Å
340	Q	98.3	Very high	98	Very high	44 Å²	44	43.3 Å²	43.3	21%	0.206	21%	0.207	C	C	.	.			trans	-65.5	153.8	160.3	-69.4	-70.8	21.1	0	0	110.1	E257 V259 F260 W342 L343 E344	E257-Q340 PolarHBondContact O-NE2 3.22Å; V259-Q340 PolarHBondContact O-N 3.21Å; F260-Q340 WeakPolarHBondContact O-CG 3.4Å; F260-Q340 PolarHBondContact O-NE2 3.19Å; Q340-W342 HydrophobicContact CB-CG 4.44Å; Q340-W342 PolarHBondContact O-N 3.48Å; Q340-W342 VanDerWaalsContact O-N 3.09Å; Q340-L343 PolarHBondContact O-N 2.55Å; Q340-E344 PolarHBondContact O-N 3.36Å
341	P	98.3	Very high	97.9	Very high	84 Å²	84	45.3 Å²	45.3	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-55.3	-33.5	-177.3	-27.8	35.1	0	0	0	114.5	K345	P341-K345 PolarHBondContact O-N 3.38Å; P341-K345 VanDerWaalsContact O-N 3.15Å
342	W	97.8	Very high	97.8	Very high	94 Å²	94	53.8 Å²	53.8	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-36.4	178.8	73.1	-97.7	0	0	0	112.4	T258 V259 Q340 E346 R449	T258-W342 VanDerWaalsContact O-CE2 3.24Å; T258-W342 WeakPolarHBondContact O-CZ2 3.38Å; T258-W342 PolarHBondContact O-NE1 2.63Å; V259-W342 HydrophobicContact CB-CZ2 4.42Å; V259-W342 HydrophobicContact CG1-CH2 4.04Å; V259-W342 HydrophobicContact CG1-CZ2 3.83Å; Q340-W342 HydrophobicContact CB-CG 4.44Å; Q340-W342 PolarHBondContact O-N 3.48Å; Q340-W342 VanDerWaalsContact O-N 3.09Å; W342-E346 VanDerWaalsContact CZ3-OE2 3.27Å; W342-E346 WeakPolarHBondContact CZ3-OE2 3.31Å; W342-E346 PolarHBondContact O-N 3.37Å; W342-R449 HydrophobicContact CH2-CG 3.95Å; W342-R449 HydrophobicContact CZ3-CG 4.37Å
343	L	97.7	Very high	97.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-73	-39.1	178.3	176.8	63.9	0	0	0	110.6	V259 F260 P339 Q340 K345 E346 I347 I452	V259-L343 HydrophobicContact CB-CD2 4.15Å; V259-L343 VanDerWaalsContact O-CD2 3.23Å; V259-L343 WeakPolarHBondContact O-CD2 3.43Å; F260-L343 HydrophobicContact CD1-CD2 4.38Å; F260-L343 HydrophobicContact CE1-CD2 4.11Å; P339-L343 HydrophobicContact CB-CB 4.15Å; P339-L343 HydrophobicContact CB-CD2 3.92Å; P339-L343 HydrophobicContact CB-CG 4.09Å; Q340-L343 PolarHBondContact O-N 2.55Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.31Å; L343-E346 PolarHBondContact O-N 2.73Å; L343-I347 HydrophobicContact CG-CD1 4.16Å; L343-I347 WeakPolarHBondContact O-CG1 3.49Å; L343-I347 PolarHBondContact O-N 3.39Å; L343-I452 HydrophobicContact CD1-CG2 4.41Å; L343-I452 HydrophobicContact CD2-CG2 4.2Å
344	E	97.6	Very high	97.4	Very high	89 Å²	89	63.6 Å²	63.6	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-57.1	-47.4	172.9	-173.2	169.2	-159.9	0	0	110.9	P339 Q340 E346 I347 E348	P339-E344 HydrophobicContact CB-CB 4.33Å; P339-E344 HydrophobicContact CG-CB 4.02Å; P339-E344 HydrophobicContact CG-CG 4.46Å; Q340-E344 PolarHBondContact O-N 3.36Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 3.31Å; E344-I347 WeakPolarHBondContact O-CB 2.93Å; E344-I347 PolarHBondContact O-N 2.98Å; E344-E348 WeakPolarHBondContact O-CG 3.46Å; E344-E348 PolarHBondContact O-N 2.88Å; E344-E348 VanDerWaalsContact O-N 3.07Å
345	K	97.9	Very high	97.3	Very high	122 Å²	122	61.7 Å²	61.7	53%	0.53	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-40.6	174.6	-170.4	-175.5	-178.2	-154	0	112.7	P341 L343 E348 E349	P341-K345 PolarHBondContact O-N 3.38Å; P341-K345 VanDerWaalsContact O-N 3.15Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.31Å; K345-E348 PolarHBondContact O-N 3.5Å; K345-E349 WeakPolarHBondContact CE-OE1 3.4Å; K345-E349 IonicContact NZ-OE1 3.24Å; K345-E349 WeakPolarHBondContact O-CB 3.06Å; K345-E349 WeakPolarHBondContact O-CG 3.3Å; K345-E349 PolarHBondContact O-N 2.72Å
346	E	96.6	Very high	97.2	Very high	38 Å²	38	62.9 Å²	62.9	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-41.4	176.2	176.9	169.4	-148.4	0	0	112.1	W342 L343 E344 E348 E349 A350 R449 L453	W342-E346 VanDerWaalsContact CZ3-OE2 3.27Å; W342-E346 WeakPolarHBondContact CZ3-OE2 3.31Å; W342-E346 PolarHBondContact O-N 3.37Å; L343-E346 PolarHBondContact O-N 2.73Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 3.31Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.16Å; E346-E349 PolarHBondContact O-N 2.91Å; E346-A350 VanDerWaalsContact O-CB 3.27Å; E346-A350 WeakPolarHBondContact O-CB 3.5Å; E346-A350 PolarHBondContact O-N 2.69Å; E346-R449 IonicContact OE1-CZ 3.76Å; E346-R449 VanDerWaalsContact OE1-CZ 3.24Å; E346-R449 IonicContact OE1-NE 2.7Å; E346-R449 PolarHBondContact OE1-NE 3.41Å; E346-R449 IonicContact OE1-NH2 2.73Å; E346-R449 PolarHBondContact OE1-NH2 3.3Å; E346-R449 IonicContact OE2-CZ 3.58Å; E346-R449 IonicContact OE2-NE 3.48Å; E346-R449 PolarHBondContact OE2-NE 3.19Å; E346-R449 IonicContact OE2-NH2 3.59Å; E346-R449 PolarHBondContact OE2-NH2 3.02Å; E346-L453 HydrophobicContact CG-CD1 4.47Å
347	I	97.4	Very high	97.1	Very high	24 Å²	24	67.3 Å²	67.3	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-45.8	175.2	-70.6	163.1	0	0	0	110.3	L343 E344 A350 T351 L453 H456	L343-I347 HydrophobicContact CG-CD1 4.16Å; L343-I347 WeakPolarHBondContact O-CG1 3.49Å; L343-I347 PolarHBondContact O-N 3.39Å; E344-I347 WeakPolarHBondContact O-CB 2.93Å; E344-I347 PolarHBondContact O-N 2.98Å; I347-A350 PolarHBondContact O-N 3.25Å; I347-T351 WeakPolarHBondContact O-CB 3.26Å; I347-T351 PolarHBondContact O-N 2.96Å; I347-T351 PolarHBondContact O-OG1 2.58Å; I347-L453 HydrophobicContact CB-CD2 4.42Å; I347-L453 HydrophobicContact CG1-CD2 3.68Å; I347-H456 VanDerWaalsContact CG2-NE2 3.3Å; I347-H456 WeakPolarHBondContact CG2-NE2 3.37Å
348	E	96.9	Very high	97.1	Very high	104 Å²	104	70.1 Å²	70.1	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.2	-69.5	178.7	177.1	0	0	112.9	E344 K345 E346 R352	E344-E348 WeakPolarHBondContact O-CG 3.46Å; E344-E348 PolarHBondContact O-N 2.88Å; E344-E348 VanDerWaalsContact O-N 3.07Å; K345-E348 PolarHBondContact O-N 3.5Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.16Å; E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 2.88Å; E348-R352 PolarHBondContact O-NE 3.4Å
349	E	96.9	Very high	97.1	Very high	90 Å²	90	67.6 Å²	67.6	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-44.4	175.4	-75.3	177	-176.6	0	0	111.5	K345 E346 R352 K353	K345-E349 WeakPolarHBondContact CE-OE1 3.4Å; K345-E349 IonicContact NZ-OE1 3.24Å; K345-E349 WeakPolarHBondContact O-CB 3.06Å; K345-E349 WeakPolarHBondContact O-CG 3.3Å; K345-E349 PolarHBondContact O-N 2.72Å; E346-E349 PolarHBondContact O-N 2.91Å; E349-R352 PolarHBondContact O-N 3.27Å; E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.36Å; E349-K353 PolarHBondContact O-N 2.88Å
350	A	96	Very high	97.1	Very high	15 Å²	15	66 Å²	66	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-43.3	176.1	0	0	0	0	0	111.4	E346 I347 R352 K353 L354 L453 F457	E346-A350 VanDerWaalsContact O-CB 3.27Å; E346-A350 WeakPolarHBondContact O-CB 3.5Å; E346-A350 PolarHBondContact O-N 2.69Å; I347-A350 PolarHBondContact O-N 3.25Å; A350-R352 VanDerWaalsContact C-N 3.32Å; A350-R352 PolarHBondContact O-N 3.29Å; A350-K353 PolarHBondContact O-N 3.25Å; A350-L354 VanDerWaalsContact O-CB 3.27Å; A350-L354 WeakPolarHBondContact O-CB 3.21Å; A350-L354 VanDerWaalsContact O-CG 3.3Å; A350-L354 WeakPolarHBondContact O-CG 3.31Å; A350-L354 PolarHBondContact O-N 2.81Å; A350-L453 HydrophobicContact CB-CD1 4.48Å; A350-L453 HydrophobicContact CB-CD2 4.21Å; A350-F457 HydrophobicContact CB-CE2 4.06Å; A350-F457 HydrophobicContact CB-CZ 3.91Å
351	T	96.1	Very high	97.1	Very high	43 Å²	43	63.9 Å²	63.9	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-56	-47.9	177.2	-59.4	0	0	0	0	110.9	I347 G355 F356 F457	I347-T351 WeakPolarHBondContact O-CB 3.26Å; I347-T351 PolarHBondContact O-N 2.96Å; I347-T351 PolarHBondContact O-OG1 2.58Å; T351-G355 PolarHBondContact O-N 3.45Å; T351-F356 HydrophobicContact CG2-CB 4.26Å; T351-F356 PolarHBondContact O-N 3.46Å; T351-F356 VanDerWaalsContact O-N 3.14Å; T351-F457 WeakPolarHBondContact OG1-CE1 3.49Å
352	R	96.1	Very high	97.1	Very high	177 Å²	177	59.9 Å²	59.9	67%	0.668	28%	0.279	S	S	*	.	H	α-helix	trans	-67.4	-44.5	177.6	-71.7	-178.8	-68.1	178.6	-0.2	112.5	E348 E349 A350 G355	E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 2.88Å; E348-R352 PolarHBondContact O-NE 3.4Å; E349-R352 PolarHBondContact O-N 3.27Å; A350-R352 VanDerWaalsContact C-N 3.32Å; A350-R352 PolarHBondContact O-N 3.29Å; R352-G355 PolarHBondContact O-N 3.17Å
353	K	96	Very high	97.2	Very high	170 Å²	170	55.4 Å²	55.4	74%	0.739	26%	0.262	S	S	*	.	H	α-helix	trans	-65.6	-40.6	-177.5	-176.7	-174.5	175	-164.6	0	112.3	E349 A350 G355	E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.36Å; E349-K353 PolarHBondContact O-N 2.88Å; A350-K353 PolarHBondContact O-N 3.25Å; K353-G355 VanDerWaalsContact C-N 3.27Å
354	L	95.1	Very high	97.2	Very high	37 Å²	37	55.7 Å²	55.7	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-78.4	-13.3	178.6	-67.7	175.1	0	0	0	112.6	A350 F356 Y406 I428 D430 F457	A350-L354 VanDerWaalsContact O-CB 3.27Å; A350-L354 WeakPolarHBondContact O-CB 3.21Å; A350-L354 VanDerWaalsContact O-CG 3.3Å; A350-L354 WeakPolarHBondContact O-CG 3.31Å; A350-L354 PolarHBondContact O-N 2.81Å; L354-F356 VanDerWaalsContact C-N 3.26Å; L354-F356 PolarHBondContact O-N 3.06Å; L354-Y406 HydrophobicContact CD1-CE2 4.31Å; L354-I428 HydrophobicContact CB-CG2 3.81Å; L354-D430 HydrophobicContact CD2-CB 4.33Å; L354-F457 HydrophobicContact CD1-CD2 4.2Å; L354-F457 HydrophobicContact CD1-CE2 3.71Å; L354-F457 HydrophobicContact CD1-CZ 4.11Å
355	G	96.3	Very high	97.1	Very high	35 Å²	35	51.4 Å²	51.4	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	33.6	-175.2	0	0	0	0	0	112.2	T351 R352 K353 K357	T351-G355 PolarHBondContact O-N 3.45Å; R352-G355 PolarHBondContact O-N 3.17Å; K353-G355 VanDerWaalsContact C-N 3.27Å; G355-K357 PolarHBondContact O-N 3.46Å
356	F	97.3	Very high	96.5	Very high	26 Å²	26	47.6 Å²	47.6	11%	0.114	23%	0.225	C	C	.	.			trans	-63.2	120.6	-177.9	-174.2	-85.7	0	0	0	110.4	T351 L354 V360 Y406 F457 Q460	T351-F356 HydrophobicContact CG2-CB 4.26Å; T351-F356 PolarHBondContact O-N 3.46Å; T351-F356 VanDerWaalsContact O-N 3.14Å; L354-F356 VanDerWaalsContact C-N 3.26Å; L354-F356 PolarHBondContact O-N 3.06Å; F356-V360 HydrophobicContact CE1-CG1 4.03Å; F356-V360 HydrophobicContact CE2-CG1 3.92Å; F356-V360 HydrophobicContact CE2-CG2 4.2Å; F356-V360 HydrophobicContact CZ-CG1 3.52Å; F356-Y406 HydrophobicContact CD2-CD2 4.11Å; F356-Y406 HydrophobicContact CE2-CD2 4.21Å; F356-Y406 HydrophobicContact CE2-CG 4.28Å; F356-F457 HydrophobicContact CB-CD1 4.3Å; F356-F457 HydrophobicContact CB-CE1 4.17Å; F356-F457 HydrophobicContact CD1-CD1 4.26Å; F356-F457 HydrophobicContact CD2-CB 4.31Å; F356-F457 AromaticContact CD2-CD1 3.61Å; F356-F457 HydrophobicContact CD2-CD1 3.61Å; F356-F457 HydrophobicContact CD2-CE1 4.32Å; F356-F457 HydrophobicContact CD2-CG 4.22Å; F356-F457 HydrophobicContact CE2-CB 3.99Å; F356-F457 AromaticContact CE2-CD1 3.91Å; F356-F457 HydrophobicContact CE2-CD1 3.91Å; F356-F457 HydrophobicContact CE2-CG 4.34Å; F356-F457 AromaticContact CG-CD1 3.8Å; F356-F457 HydrophobicContact CG-CD1 3.8Å; F356-F457 HydrophobicContact CG-CE1 4.12Å; F356-F457 HydrophobicContact CZ-CD1 4.35Å; F356-Q460 HydrophobicContact CE1-CB 3.96Å; F356-Q460 HydrophobicContact CZ-CB 3.9Å
357	K	96.3	Very high	95.7	Very high	94 Å²	94	47 Å²	47	41%	0.409	22%	0.222	S	C	.	.			trans	-153.2	151.2	-177.8	59.5	176.3	153.8	159.6	0	111.8	G355 R404	G355-K357 PolarHBondContact O-N 3.46Å; K357-R404 WeakPolarHBondContact O-CD 3.21Å
358	H	97.5	Very high	94.5	Very high	93 Å²	93	48.4 Å²	48.4	43%	0.431	23%	0.231	S	C	.	.	S	Bend	trans	-82.5	153.8	177.3	-62.1	-96.3	0	0	0	112.1	Q460 D462	H358-Q460 PolarHBondContact CE1-O 2.93Å; H358-D462 IonicContact CE1-OD1 2.81Å; H358-D462 IonicContact CG-OD2 3.88Å; H358-D462 VanDerWaalsContact ND1-CG 3.31Å; H358-D462 IonicContact ND1-OD1 3.86Å; H358-D462 PolarHBondContact ND1-OD1 3.37Å; H358-D462 IonicContact ND1-OD2 3.38Å; H358-D462 PolarHBondContact ND1-OD2 3.26Å
359	P	97.9	Very high	92.9	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.032	22%	0.221	C	C	.	.	S	Bend	cis	-74.5	138.7	-6.9	30.5	-33.8	0	0	0	111.9	F391 L394 M398 V400 D462	P359-F391 HydrophobicContact CB-CE1 4.44Å; P359-L394 HydrophobicContact CB-CD1 4.31Å; P359-M398 HydrophobicContact CB-SD 4.5Å; P359-V400 HydrophobicContact CG-CG1 4.21Å; P359-V400 HydrophobicContact CG-CG2 4.29Å; P359-D462 WeakPolarHBondContact CA-OD2 3.4Å
360	V	98.6	Very high	91.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137	-179.8	59.4	0	0	0	0	110.6	F356 R404 I428 A461 D462	F356-V360 HydrophobicContact CE1-CG1 4.03Å; F356-V360 HydrophobicContact CE2-CG1 3.92Å; F356-V360 HydrophobicContact CE2-CG2 4.2Å; F356-V360 HydrophobicContact CZ-CG1 3.52Å; V360-R404 WeakPolarHBondContact CA-O 3.41Å; V360-R404 HydrophobicContact CB-CB 4.05Å; V360-R404 HydrophobicContact CG2-CB 4Å; V360-I428 HydrophobicContact CG2-CD1 4.46Å; V360-A461 HydrophobicContact CG1-CB 4.45Å; V360-D462 PolarHBondContact N-OD2 3.22Å; V360-D462 PolarHBondContact O-N 3.37Å
361	I	98.8	Very high	90.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.5	173.9	-62.7	-178.2	0	0	0	108.8	V363 V387 R390 F391 R404 V405 Y406 F463 V465	I361-V363 HydrophobicContact CG2-CG2 4.41Å; I361-V387 HydrophobicContact CB-CG1 4.38Å; I361-V387 HydrophobicContact CD1-CG1 4.08Å; I361-V387 WeakPolarHBondContact CD1-O 3.38Å; I361-V387 HydrophobicContact CG2-CG1 4.39Å; I361-V387 HydrophobicContact CG2-CG2 4Å; I361-R390 HydrophobicContact CD1-CB 3.61Å; I361-R390 HydrophobicContact CD1-CG 3.57Å; I361-R390 HydrophobicContact CG1-CG 4.41Å; I361-F391 HydrophobicContact CB-CE2 4.25Å; I361-F391 HydrophobicContact CB-CZ 4.44Å; I361-F391 HydrophobicContact CD1-CD1 4.48Å; I361-F391 HydrophobicContact CD1-CD2 3.63Å; I361-F391 HydrophobicContact CD1-CE1 4.44Å; I361-F391 HydrophobicContact CD1-CE2 3.58Å; I361-F391 HydrophobicContact CD1-CG 4.08Å; I361-F391 HydrophobicContact CD1-CZ 4Å; I361-F391 HydrophobicContact CG1-CD2 4.37Å; I361-F391 HydrophobicContact CG1-CE1 4.43Å; I361-F391 HydrophobicContact CG1-CE2 3.83Å; I361-F391 HydrophobicContact CG1-CZ 3.85Å; I361-R404 PolarHBondContact N-O 2.99Å; I361-V405 CarbonylContact O-C 3.53Å; I361-V405 VanDerWaalsContact O-CA 3.3Å; I361-V405 WeakPolarHBondContact O-CA 3.12Å; I361-Y406 PolarHBondContact O-N 2.67Å; I361-F463 HydrophobicContact CG1-CB 4.25Å; I361-F463 HydrophobicContact CG2-CB 4.35Å; I361-V465 HydrophobicContact CG2-CG2 4.07Å
362	G	98.8	Very high	88.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.5	175.3	0	0	0	0	0	109.9	F463 L464 V465	G362-F463 PolarHBondContact N-O 3.45Å; G362-L464 CarbonylContact O-C 3.56Å; G362-L464 WeakPolarHBondContact O-CA 3.28Å; G362-V465 PolarHBondContact O-N 3.34Å
363	V	98.8	Very high	87.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.6	176.1	-179.5	0	0	0	0	108.6	I361 V365 Y383 V387 V405 Y406 L407 A408 V465	I361-V363 HydrophobicContact CG2-CG2 4.41Å; V363-V365 HydrophobicContact CG1-CG2 3.78Å; V363-Y383 HydrophobicContact CG1-CD1 3.94Å; V363-Y383 HydrophobicContact CG1-CG 4.17Å; V363-V387 HydrophobicContact CG2-CG2 3.52Å; V363-V405 HydrophobicContact CB-CG1 3.93Å; V363-V405 HydrophobicContact CG2-CG1 3.56Å; V363-Y406 PolarHBondContact N-O 3.12Å; V363-L407 HydrophobicContact CB-CD1 4.26Å; V363-L407 HydrophobicContact CG1-CD1 4.07Å; V363-A408 PolarHBondContact O-N 3.29Å; V363-V465 VanDerWaalsContact CA-O 3.3Å; V363-V465 WeakPolarHBondContact CA-O 2.98Å; V363-V465 HydrophobicContact CG2-CB 4.41Å
364	H	98.1	Very high	85.8	Confident	7 Å²	7	40.5 Å²	40.5	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115	173.4	178.5	53.9	0	0	0	110.7	Y383 A408 L458 V465 C466 S470	H364-Y383 WeakPolarHBondContact O-CE1 3.45Å; H364-A408 WeakPolarHBondContact CA-O 3.41Å; H364-A408 PolarHBondContact ND1-O 3.39Å; H364-L458 HydrophobicContact CB-CD1 3.91Å; H364-L458 HydrophobicContact CB-CD2 4.19Å; H364-V465 PolarHBondContact N-O 2.56Å; H364-C466 HydrophobicContact CB-CB 3.87Å; H364-S470 PolarHBondContact NE2-OG 2.94Å
365	V	95.6	Very high	84.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.6	178.5	-173.6	0	0	0	0	109.8	V363 R367 I380 Y383 L407 A408 T409 L414	V363-V365 HydrophobicContact CG1-CG2 3.78Å; V365-R367 HydrophobicContact CG1-CG 4.04Å; V365-I380 HydrophobicContact CG2-CD1 4.09Å; V365-Y383 HydrophobicContact CG1-CE2 4Å; V365-Y383 HydrophobicContact CG2-CD1 4.09Å; V365-Y383 HydrophobicContact CG2-CD2 4.12Å; V365-Y383 HydrophobicContact CG2-CE1 3.97Å; V365-Y383 HydrophobicContact CG2-CE2 4.01Å; V365-Y383 HydrophobicContact CG2-CG 4.17Å; V365-L407 HydrophobicContact CG2-CD1 4.03Å; V365-A408 PolarHBondContact N-O 3.42Å; V365-T409 VanDerWaalsContact O-CA 3.31Å; V365-T409 WeakPolarHBondContact O-CA 3.49Å; V365-T409 WeakPolarHBondContact O-CB 3.32Å; V365-T409 PolarHBondContact O-OG1 2.92Å; V365-L414 HydrophobicContact CB-CD2 3.5Å; V365-L414 VanDerWaalsContact CB-CD2 3.5Å; V365-L414 HydrophobicContact CG1-CD2 3.57Å; V365-L414 HydrophobicContact CG2-CD2 3.78Å
366	R	84.9	Confident	83.9	Confident	42 Å²	42	40.9 Å²	40.9	16%	0.158	24%	0.236	C	C	.	.			trans	-102.9	116.4	179	-173.8	68.6	-177.4	173.6	2.6	110.4	D369 K370 D410 R442	R366-D369 IonicContact CZ-OD1 3.86Å; R366-D369 IonicContact NE-OD1 3.79Å; R366-D369 IonicContact NH2-OD1 3.33Å; R366-D369 PolarHBondContact NH2-OD1 3.45Å; R366-D369 IonicContact NH2-OD2 2.94Å; R366-K370 HydrophobicContact CG-CB 4.27Å; R366-K370 HydrophobicContact CG-CG 4.32Å; R366-D410 WeakPolarHBondContact CA-OD1 3.45Å; R366-D410 WeakPolarHBondContact CD-OD2 3.25Å; R366-D410 IonicContact CZ-OD2 3.77Å; R366-D410 IonicContact NE-OD2 3.33Å; R366-D410 PolarHBondContact NE-OD2 2.9Å; R366-D410 IonicContact NH1-OD2 2.68Å; R366-D410 PolarHBondContact NH1-OD2 3.08Å; R366-D410 VanDerWaalsContact NH1-OD2 3.1Å; R366-D410 IonicContact NH2-OD2 2.76Å; R366-R442 VanDerWaalsContact NH2-NH2 3.13Å
367	R	80.2	Confident	83.4	Confident	26 Å²	26	44.9 Å²	44.9	10%	0.098	25%	0.253	C	S	.	.			trans	-123.2	-25.7	-174.1	-79.7	177.8	176.2	-171.9	1	116.2	V365 V371 F377 D410 D411 E417	V365-R367 HydrophobicContact CG1-CG 4.04Å; R367-V371 WeakPolarHBondContact O-CG2 3.41Å; R367-F377 HydrophobicContact CG-CD2 4.23Å; R367-F377 HydrophobicContact CG-CE2 4Å; R367-D410 PolarHBondContact N-OD1 3.45Å; R367-D411 HydrophobicContact CB-CB 4.1Å; R367-D411 WeakPolarHBondContact CD-OD2 3.38Å; R367-D411 IonicContact CZ-OD2 3.16Å; R367-D411 IonicContact NE-OD2 2.75Å; R367-D411 IonicContact NH1-OD2 3.24Å; R367-D411 PolarHBondContact NH1-OD2 2.79Å; R367-E417 IonicContact CZ-OE2 3.52Å; R367-E417 IonicContact NH1-OE2 2.63Å; R367-E417 PolarHBondContact NH1-OE2 3.1Å; R367-E417 IonicContact NH2-OE2 3.86Å; R367-E417 PolarHBondContact NH2-OE2 2.75Å
368	T	72	Confident	83.2	Confident	53 Å²	53	41.6 Å²	41.6	33%	0.325	24%	0.239	S	C	.	.	S	Bend	trans	-76	-96.1	-164.6	63.6	0	0	0	0	114.7	K370 D410 R442	T368-K370 VanDerWaalsContact C-N 3.26Å; T368-K370 PolarHBondContact O-N 3.41Å; T368-D410 VanDerWaalsContact CB-OD2 3.28Å; T368-D410 WeakPolarHBondContact CB-OD2 3.41Å; T368-D410 HydrophobicContact CG2-CB 4.04Å; T368-D410 WeakPolarHBondContact CG2-O 3.41Å; T368-D410 WeakPolarHBondContact CG2-OD2 3.3Å; T368-D410 PolarHBondContact N-OD2 2.85Å; T368-D410 PolarHBondContact OG1-OD2 3.27Å; T368-R442 PolarHBondContact OG1-NH2 3.25Å
369	D	63.7	Low	83	Confident	49 Å²	49	39 Å²	39	26%	0.262	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.9	-169.7	61.1	-52	0	0	0	115	R366 T373 L439 R442	R366-D369 IonicContact CZ-OD1 3.86Å; R366-D369 IonicContact NE-OD1 3.79Å; R366-D369 IonicContact NH2-OD1 3.33Å; R366-D369 PolarHBondContact NH2-OD1 3.45Å; R366-D369 IonicContact NH2-OD2 2.94Å; D369-T373 PolarHBondContact O-OG1 3.18Å; D369-T373 VanDerWaalsContact O-OG1 3.11Å; D369-L439 HydrophobicContact CB-CD2 4.09Å; D369-R442 IonicContact OD1-CZ 3.85Å; D369-R442 IonicContact OD1-NH1 2.67Å; D369-R442 PolarHBondContact OD1-NH1 3.42Å; D369-R442 VanDerWaalsContact OD1-NH1 3.09Å; D369-R442 IonicContact OD1-NH2 2.75Å; D369-R442 PolarHBondContact OD1-NH2 3.42Å; D369-R442 IonicContact OD2-CZ 2.75Å; D369-R442 IonicContact OD2-NH1 2.69Å; D369-R442 PolarHBondContact OD2-NH1 2.84Å; D369-R442 IonicContact OD2-NH2 3.94Å
370	K	63.9	Low	82.9	Confident	43 Å²	43	38.8 Å²	38.8	19%	0.187	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-18.2	-172	-60.6	-67.2	172.5	172.7	0	113.1	R366 T368 G372 T373 E374 A375	R366-K370 HydrophobicContact CG-CB 4.27Å; R366-K370 HydrophobicContact CG-CG 4.32Å; T368-K370 VanDerWaalsContact C-N 3.26Å; T368-K370 PolarHBondContact O-N 3.41Å; K370-G372 PolarHBondContact O-N 3.39Å; K370-T373 PolarHBondContact O-N 2.88Å; K370-T373 PolarHBondContact O-OG1 2.93Å; K370-E374 HydrophobicContact CD-CB 3.91Å; K370-E374 HydrophobicContact CD-CG 4.15Å; K370-E374 VanDerWaalsContact CD-OE2 3.23Å; K370-E374 WeakPolarHBondContact CD-OE2 3.32Å; K370-E374 WeakPolarHBondContact CE-OE2 3.21Å; K370-E374 IonicContact NZ-OE1 3.06Å; K370-E374 PolarHBondContact NZ-OE1 2.82Å; K370-E374 IonicContact NZ-OE2 3.96Å; K370-E374 PolarHBondContact NZ-OE2 2.92Å; K370-E374 PolarHBondContact O-N 3.39Å; K370-E374 VanDerWaalsContact O-N 3.09Å; K370-A375 PolarHBondContact O-N 2.9Å; K370-A375 VanDerWaalsContact O-O 3.1Å
371	V	69.8	Low	82.9	Confident	55 Å²	55	42.2 Å²	42.2	33%	0.333	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-68.4	119.4	174.5	172.1	0	0	0	0	109.1	R367 A375 F377	R367-V371 WeakPolarHBondContact O-CG2 3.41Å; V371-A375 WeakPolarHBondContact CA-O 3.24Å; V371-F377 HydrophobicContact CG1-CB 3.8Å; V371-F377 HydrophobicContact CG2-CB 4.16Å; V371-F377 HydrophobicContact CG2-CD2 4.41Å
372	G	64.8	Low	82.9	Confident	74 Å²	74	46.1 Å²	46.1	76%	0.763	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-0.4	178.8	0	0	0	0	0	115.5	K370 A375	K370-G372 PolarHBondContact O-N 3.39Å; G372-A375 PolarHBondContact N-O 3.39Å
373	T	70.6	Confident	82.8	Confident	104 Å²	104	46.2 Å²	46.2	64%	0.638	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-54.2	174.3	54.7	0	0	0	0	112	D369 K370	D369-T373 PolarHBondContact O-OG1 3.18Å; D369-T373 VanDerWaalsContact O-OG1 3.11Å; K370-T373 PolarHBondContact O-N 2.88Å; K370-T373 PolarHBondContact O-OG1 2.93Å
374	E	63.7	Low	82.8	Confident	108 Å²	108	46.4 Å²	46.4	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-19.3	-174.1	-71.9	176.7	-145.9	0	0	113.2	K370	K370-E374 HydrophobicContact CD-CB 3.91Å; K370-E374 HydrophobicContact CD-CG 4.15Å; K370-E374 VanDerWaalsContact CD-OE2 3.23Å; K370-E374 WeakPolarHBondContact CD-OE2 3.32Å; K370-E374 WeakPolarHBondContact CE-OE2 3.21Å; K370-E374 IonicContact NZ-OE1 3.06Å; K370-E374 PolarHBondContact NZ-OE1 2.82Å; K370-E374 IonicContact NZ-OE2 3.96Å; K370-E374 PolarHBondContact NZ-OE2 2.92Å; K370-E374 PolarHBondContact O-N 3.39Å; K370-E374 VanDerWaalsContact O-N 3.09Å
375	A	70.8	Confident	82.8	Confident	22 Å²	22	49.9 Å²	49.9	18%	0.182	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-149.5	164	179.8	0	0	0	0	0	112.1	K370 V371 G372	K370-A375 PolarHBondContact O-N 2.9Å; K370-A375 VanDerWaalsContact O-O 3.1Å; V371-A375 WeakPolarHBondContact CA-O 3.24Å; G372-A375 PolarHBondContact N-O 3.39Å
376	A	79.8	Confident	82.9	Confident	58 Å²	58	51.7 Å²	51.7	48%	0.479	30%	0.295	S	S	.	.			trans	-84.7	159.2	171.9	0	0	0	0	0	111.4	H378	A376-H378 PolarHBondContact O-CD2 3.29Å
377	F	87.4	Confident	83.6	Confident	110 Å²	110	49.7 Å²	49.7	48%	0.482	29%	0.287	S	S	.	.			trans	-75.8	126.7	167	177	-89.8	0	0	0	108.9	R367 V371 P379	R367-F377 HydrophobicContact CG-CD2 4.23Å; R367-F377 HydrophobicContact CG-CE2 4Å; V371-F377 HydrophobicContact CG1-CB 3.8Å; V371-F377 HydrophobicContact CG2-CB 4.16Å; V371-F377 HydrophobicContact CG2-CD2 4.41Å; F377-P379 HydrophobicContact CE1-CB 4.26Å
378	H	90.9	Very high	84.5	Confident	24 Å²	24	51.3 Å²	51.3	11%	0.111	30%	0.296	C	S	.	.			trans	-115.2	123.4	172.8	-66.1	-85	0	0	0	109.7	A376 E382 Y383 L494	A376-H378 PolarHBondContact O-CD2 3.29Å; H378-E382 IonicContact CE1-OE2 2.83Å; H378-E382 IonicContact CG-OE2 3.85Å; H378-E382 IonicContact ND1-OE2 2.69Å; H378-E382 PolarHBondContact ND1-OE2 3.44Å; H378-Y383 HydrophobicContact CB-CE2 3.52Å; H378-L494 HydrophobicContact CB-CD1 3.95Å
379	P	94	Very high	85.7	Confident	39 Å²	39	53.2 Å²	53.2	25%	0.253	30%	0.301	S	S	.	.			trans	-65.1	156.8	172.3	31.1	-35.8	0	0	0	110.7	F377 E381 E382 Y383	F377-P379 HydrophobicContact CE1-CB 4.26Å; P379-E381 WeakPolarHBondContact CB-OE2 3.36Å; P379-E381 PolarHBondContact O-N 3.11Å; P379-E382 WeakPolarHBondContact CD-OE1 3.21Å; P379-E382 HydrophobicContact CG-CG 3.96Å; P379-E382 WeakPolarHBondContact CG-OE1 3.45Å; P379-E382 PolarHBondContact O-N 3.43Å; P379-Y383 VanDerWaalsContact O-CD2 3.31Å; P379-Y383 WeakPolarHBondContact O-CD2 3.31Å
380	I	96.8	Very high	87.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-27.9	-175.3	-172.1	57.6	0	0	0	112.3	V365 E382 Y383 M384 L414 A418 K421 Y422	V365-I380 HydrophobicContact CG2-CD1 4.09Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.96Å; I380-Y383 PolarHBondContact O-N 3.45Å; I380-M384 HydrophobicContact CD1-CG 4.24Å; I380-M384 HydrophobicContact CG1-CG 3.95Å; I380-M384 VanDerWaalsContact O-CG 3.31Å; I380-M384 WeakPolarHBondContact O-CG 3.11Å; I380-M384 PolarHBondContact O-N 3.37Å; I380-L414 HydrophobicContact CB-CD1 3.94Å; I380-L414 HydrophobicContact CD1-CD1 4.2Å; I380-L414 HydrophobicContact CG1-CD1 4.14Å; I380-A418 HydrophobicContact CG1-CB 4.32Å; I380-K421 HydrophobicContact CG2-CD 4Å; I380-Y422 HydrophobicContact CG1-CE2 4.42Å; I380-Y422 HydrophobicContact CG2-CE2 4.23Å
381	E	98	Very high	89	Confident	71 Å²	71	50.4 Å²	50.4	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-56.2	-42.2	177.4	-69.6	78.5	175.1	0	0	112.6	P379 Y383 M384 V385 K421 Y422	P379-E381 WeakPolarHBondContact CB-OE2 3.36Å; P379-E381 PolarHBondContact O-N 3.11Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.78Å; E381-M384 PolarHBondContact O-N 2.87Å; E381-V385 WeakPolarHBondContact O-CG2 3.13Å; E381-V385 PolarHBondContact O-N 3.18Å; E381-V385 VanDerWaalsContact O-N 3.11Å; E381-K421 VanDerWaalsContact OE1-CD 3.31Å; E381-K421 WeakPolarHBondContact OE1-CD 3.44Å; E381-K421 WeakPolarHBondContact OE1-CE 3.31Å; E381-K421 IonicContact OE1-NZ 3.78Å; E381-K421 PolarHBondContact OE1-NZ 3.5Å; E381-K421 IonicContact OE2-NZ 2.68Å; E381-K421 PolarHBondContact OE2-NZ 3.39Å; E381-Y422 WeakPolarHBondContact CA-OH 3.49Å
382	E	97.4	Very high	90.3	Very high	83 Å²	83	51.1 Å²	51.1	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-39.4	179.9	-73.3	178.3	-146.9	0	0	111.4	H378 P379 I380 H386 L494	H378-E382 IonicContact CE1-OE2 2.83Å; H378-E382 IonicContact CG-OE2 3.85Å; H378-E382 IonicContact ND1-OE2 2.69Å; H378-E382 PolarHBondContact ND1-OE2 3.44Å; P379-E382 WeakPolarHBondContact CD-OE1 3.21Å; P379-E382 HydrophobicContact CG-CG 3.96Å; P379-E382 WeakPolarHBondContact CG-OE1 3.45Å; P379-E382 PolarHBondContact O-N 3.43Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.96Å; E382-H386 PolarHBondContact O-CD2 2.9Å; E382-L494 HydrophobicContact CB-CD1 4.08Å
383	Y	98.4	Very high	91.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-44.9	174.3	-59.5	-99.7	0	0	0	111.2	V363 H364 V365 H378 P379 I380 E381 V385 H386 V387 V465 L494	V363-Y383 HydrophobicContact CG1-CD1 3.94Å; V363-Y383 HydrophobicContact CG1-CG 4.17Å; H364-Y383 WeakPolarHBondContact O-CE1 3.45Å; V365-Y383 HydrophobicContact CG1-CE2 4Å; V365-Y383 HydrophobicContact CG2-CD1 4.09Å; V365-Y383 HydrophobicContact CG2-CD2 4.12Å; V365-Y383 HydrophobicContact CG2-CE1 3.97Å; V365-Y383 HydrophobicContact CG2-CE2 4.01Å; V365-Y383 HydrophobicContact CG2-CG 4.17Å; H378-Y383 HydrophobicContact CB-CE2 3.52Å; P379-Y383 VanDerWaalsContact O-CD2 3.31Å; P379-Y383 WeakPolarHBondContact O-CD2 3.31Å; I380-Y383 PolarHBondContact O-N 3.45Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.78Å; Y383-V385 VanDerWaalsContact C-N 3.3Å; Y383-V385 PolarHBondContact O-N 3.1Å; Y383-H386 PolarHBondContact O-N 2.8Å; Y383-V387 WeakPolarHBondContact O-CG2 3.39Å; Y383-V387 PolarHBondContact O-N 3.24Å; Y383-V465 HydrophobicContact CD1-CG1 4.08Å; Y383-L494 HydrophobicContact CD1-CD1 3.72Å; Y383-L494 HydrophobicContact CD1-CG 4.43Å; Y383-L494 HydrophobicContact CD2-CD1 3.78Å; Y383-L494 HydrophobicContact CE1-CD1 3.54Å; Y383-L494 HydrophobicContact CE1-CG 4.33Å; Y383-L494 HydrophobicContact CE2-CD1 3.6Å; Y383-L494 HydrophobicContact CG-CD1 3.83Å; Y383-L494 VanDerWaalsContact CZ-CD1 3.47Å
384	M	98.5	Very high	93.1	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-71.7	-21.6	-170.1	-70.1	-60.6	-57.7	0	0	113.8	I380 E381 V387 E388 V405 Y422 Y425 F427	I380-M384 HydrophobicContact CD1-CG 4.24Å; I380-M384 HydrophobicContact CG1-CG 3.95Å; I380-M384 VanDerWaalsContact O-CG 3.31Å; I380-M384 WeakPolarHBondContact O-CG 3.11Å; I380-M384 PolarHBondContact O-N 3.37Å; E381-M384 PolarHBondContact O-N 2.87Å; M384-V387 HydrophobicContact CE-CB 4.24Å; M384-V387 HydrophobicContact CE-CG1 3.95Å; M384-V387 PolarHBondContact O-N 3.01Å; M384-V387 HydrophobicContact SD-CB 4.19Å; M384-V387 HydrophobicContact SD-CG1 4.29Å; M384-V387 HydrophobicContact SD-CG2 4.04Å; M384-E388 PolarHBondContact O-N 2.94Å; M384-V405 HydrophobicContact CE-CG2 4.38Å; M384-Y422 HydrophobicContact CB-CD1 4.45Å; M384-Y422 HydrophobicContact CB-CE1 3.72Å; M384-Y422 HydrophobicContact CB-CE2 4.04Å; M384-Y422 VanDerWaalsContact CB-CZ 3.49Å; M384-Y422 WeakPolarHBondContact CB-OH 3.45Å; M384-Y422 HydrophobicContact CE-CD1 4.01Å; M384-Y422 HydrophobicContact CE-CD2 4.4Å; M384-Y422 HydrophobicContact CE-CE1 4.38Å; M384-Y422 HydrophobicContact CE-CG 4.03Å; M384-Y422 HydrophobicContact CG-CD2 4.06Å; M384-Y422 HydrophobicContact CG-CE1 4.09Å; M384-Y422 HydrophobicContact CG-CE2 3.62Å; M384-Y422 HydrophobicContact CG-CG 4.5Å; M384-Y425 HydrophobicContact CE-CD1 3.93Å; M384-Y425 HydrophobicContact CE-CD2 4.12Å; M384-Y425 HydrophobicContact CE-CE1 3.75Å; M384-Y425 HydrophobicContact CE-CE2 3.97Å; M384-Y425 HydrophobicContact CE-CG 4.09Å; M384-F427 HydrophobicContact CE-CZ 4.18Å; M384-F427 HydrophobicContact SD-CE1 4.3Å; M384-F427 HydrophobicContact SD-CZ 4.32Å
385	V	98	Very high	94.8	Very high	80 Å²	80	41.6 Å²	41.6	49%	0.485	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-50.3	169.8	172.1	0	0	0	0	110.2	E381 Y383 V387 E388 E389	E381-V385 WeakPolarHBondContact O-CG2 3.13Å; E381-V385 PolarHBondContact O-N 3.18Å; E381-V385 VanDerWaalsContact O-N 3.11Å; Y383-V385 VanDerWaalsContact C-N 3.3Å; Y383-V385 PolarHBondContact O-N 3.1Å; V385-V387 VanDerWaalsContact C-N 3.34Å; V385-V387 PolarHBondContact O-N 3.39Å; V385-E388 PolarHBondContact O-N 3.47Å; V385-E389 WeakPolarHBondContact O-CG 3.41Å; V385-E389 PolarHBondContact O-N 3.25Å
386	H	98.4	Very high	96	Very high	37 Å²	37	46 Å²	46	17%	0.171	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-30.5	-179.9	-56.7	-56.8	0	0	0	113	E382 Y383 E389 R390 V465 H492	E382-H386 PolarHBondContact O-CD2 2.9Å; Y383-H386 PolarHBondContact O-N 2.8Å; H386-E389 IonicContact ND1-OE2 3.56Å; H386-E389 PolarHBondContact ND1-OE2 3.49Å; H386-R390 VanDerWaalsContact O-CB 3.29Å; H386-R390 WeakPolarHBondContact O-CB 3.35Å; H386-R390 PolarHBondContact O-N 3.22Å; H386-V465 HydrophobicContact CB-CG1 4.13Å; H386-V465 HydrophobicContact CB-CG2 4.18Å; H386-H492 HydrophobicContact CB-CB 4.27Å; H386-H492 AromaticContact CD2-CD2 3.36Å; H386-H492 PolarHBondContact CD2-CD2 2.99Å; H386-H492 AromaticContact CD2-NE2 3.66Å; H386-H492 AromaticContact CE1-CD2 3.74Å; H386-H492 AromaticContact CE1-CE1 3.55Å; H386-H492 AromaticContact CE1-NE2 3.25Å; H386-H492 PolarHBondContact CE1-NE2 3.35Å; H386-H492 AromaticContact CG-CD2 3.55Å; H386-H492 AromaticContact CG-CG 3.77Å; H386-H492 AromaticContact CG-NE2 3.89Å; H386-H492 AromaticContact ND1-CD2 3.81Å; H386-H492 AromaticContact ND1-CE1 3.72Å; H386-H492 AromaticContact ND1-CG 3.96Å; H386-H492 AromaticContact ND1-ND1 3.9Å; H386-H492 AromaticContact ND1-NE2 3.67Å; H386-H492 AromaticContact NE2-CD2 3.5Å; H386-H492 AromaticContact NE2-NE2 3.25Å; H386-H492 PolarHBondContact NE2-NE2 3.29Å
387	V	98.7	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-47.7	171.6	174.1	0	0	0	0	110.5	I361 V363 Y383 M384 V385 R390 F391 V405 Y425 V465	I361-V387 HydrophobicContact CB-CG1 4.38Å; I361-V387 HydrophobicContact CD1-CG1 4.08Å; I361-V387 WeakPolarHBondContact CD1-O 3.38Å; I361-V387 HydrophobicContact CG2-CG1 4.39Å; I361-V387 HydrophobicContact CG2-CG2 4Å; V363-V387 HydrophobicContact CG2-CG2 3.52Å; Y383-V387 WeakPolarHBondContact O-CG2 3.39Å; Y383-V387 PolarHBondContact O-N 3.24Å; M384-V387 HydrophobicContact CE-CB 4.24Å; M384-V387 HydrophobicContact CE-CG1 3.95Å; M384-V387 PolarHBondContact O-N 3.01Å; M384-V387 HydrophobicContact SD-CB 4.19Å; M384-V387 HydrophobicContact SD-CG1 4.29Å; M384-V387 HydrophobicContact SD-CG2 4.04Å; V385-V387 VanDerWaalsContact C-N 3.34Å; V385-V387 PolarHBondContact O-N 3.39Å; V387-R390 PolarHBondContact O-N 2.98Å; V387-F391 HydrophobicContact CG1-CD2 3.84Å; V387-F391 HydrophobicContact CG1-CE2 3.81Å; V387-F391 WeakPolarHBondContact O-CD2 3.3Å; V387-F391 PolarHBondContact O-N 2.99Å; V387-V405 HydrophobicContact CG1-CG2 3.73Å; V387-Y425 HydrophobicContact CG1-CE1 3.71Å; V387-V465 HydrophobicContact CG2-CB 4.37Å; V387-V465 HydrophobicContact CG2-CG2 3.97Å
388	E	98.3	Very high	97.1	Very high	61 Å²	61	44.8 Å²	44.8	29%	0.285	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-49.4	178.1	-173.5	70.9	-131.2	0	0	111	M384 V385 R390 F391 E392 K403 Y425	M384-E388 PolarHBondContact O-N 2.94Å; V385-E388 PolarHBondContact O-N 3.47Å; E388-R390 PolarHBondContact O-N 2.91Å; E388-F391 PolarHBondContact O-N 3.34Å; E388-E392 WeakPolarHBondContact O-CG 3.48Å; E388-E392 PolarHBondContact O-N 3.37Å; E388-K403 IonicContact OE1-NZ 3.86Å; E388-K403 PolarHBondContact OE1-NZ 3.37Å; E388-K403 IonicContact OE2-NZ 2.62Å; E388-K403 PolarHBondContact OE2-NZ 3.35Å; E388-Y425 WeakPolarHBondContact CA-OH 3.32Å; E388-Y425 VanDerWaalsContact CD-OH 3.25Å; E388-Y425 WeakPolarHBondContact OE2-CE2 3.3Å; E388-Y425 PolarHBondContact OE2-OH 2.88Å
389	E	97.6	Very high	97.4	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-53.2	-42.2	177.3	-75.1	179.1	160.2	0	0	111.9	V385 H386 E392 L393	V385-E389 WeakPolarHBondContact O-CG 3.41Å; V385-E389 PolarHBondContact O-N 3.25Å; H386-E389 IonicContact ND1-OE2 3.56Å; H386-E389 PolarHBondContact ND1-OE2 3.49Å; E389-E392 PolarHBondContact O-N 3.21Å; E389-L393 PolarHBondContact O-N 3.06Å; E389-L393 VanDerWaalsContact O-N 3.07Å
390	R	98.1	Very high	97.5	Very high	27 Å²	27	51 Å²	51	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-70.6	-40.1	178.4	-177.5	62.6	174.9	-171.1	-6.3	112.3	I361 H386 V387 E388 E392 L393 L394 F463	I361-R390 HydrophobicContact CD1-CB 3.61Å; I361-R390 HydrophobicContact CD1-CG 3.57Å; I361-R390 HydrophobicContact CG1-CG 4.41Å; H386-R390 VanDerWaalsContact O-CB 3.29Å; H386-R390 WeakPolarHBondContact O-CB 3.35Å; H386-R390 PolarHBondContact O-N 3.22Å; V387-R390 PolarHBondContact O-N 2.98Å; E388-R390 PolarHBondContact O-N 2.91Å; R390-E392 VanDerWaalsContact C-N 3.31Å; R390-E392 PolarHBondContact O-N 3.4Å; R390-L393 PolarHBondContact O-N 3.5Å; R390-L394 WeakPolarHBondContact O-CG 3.31Å; R390-L394 PolarHBondContact O-N 2.9Å; R390-F463 HydrophobicContact CB-CD1 4.14Å; R390-F463 HydrophobicContact CB-CE1 4.44Å; R390-F463 HydrophobicContact CB-CG 4.5Å; R390-F463 HydrophobicContact CG-CB 3.76Å; R390-F463 HydrophobicContact CG-CD1 3.78Å; R390-F463 HydrophobicContact CG-CD2 4.16Å; R390-F463 HydrophobicContact CG-CE1 4.37Å; R390-F463 HydrophobicContact CG-CG 3.65Å; R390-F463 VanDerWaalsContact NE-CD2 3.34Å
391	F	98.4	Very high	97.5	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-38.5	174	-88.8	-60.1	0	0	0	112.3	P359 I361 V387 E388 L393 L394 A395 V400 K403 R404 Y425	P359-F391 HydrophobicContact CB-CE1 4.44Å; I361-F391 HydrophobicContact CB-CE2 4.25Å; I361-F391 HydrophobicContact CB-CZ 4.44Å; I361-F391 HydrophobicContact CD1-CD1 4.48Å; I361-F391 HydrophobicContact CD1-CD2 3.63Å; I361-F391 HydrophobicContact CD1-CE1 4.44Å; I361-F391 HydrophobicContact CD1-CE2 3.58Å; I361-F391 HydrophobicContact CD1-CG 4.08Å; I361-F391 HydrophobicContact CD1-CZ 4Å; I361-F391 HydrophobicContact CG1-CD2 4.37Å; I361-F391 HydrophobicContact CG1-CE1 4.43Å; I361-F391 HydrophobicContact CG1-CE2 3.83Å; I361-F391 HydrophobicContact CG1-CZ 3.85Å; V387-F391 HydrophobicContact CG1-CD2 3.84Å; V387-F391 HydrophobicContact CG1-CE2 3.81Å; V387-F391 WeakPolarHBondContact O-CD2 3.3Å; V387-F391 PolarHBondContact O-N 2.99Å; E388-F391 PolarHBondContact O-N 3.34Å; F391-L393 VanDerWaalsContact C-N 3.31Å; F391-L393 PolarHBondContact O-N 3.12Å; F391-L394 HydrophobicContact CD1-CD1 4.26Å; F391-L394 HydrophobicContact CE1-CD1 4.43Å; F391-L394 PolarHBondContact O-N 3.07Å; F391-A395 WeakPolarHBondContact O-CB 3.5Å; F391-A395 PolarHBondContact O-N 2.81Å; F391-V400 HydrophobicContact CD1-CG1 3.91Å; F391-V400 HydrophobicContact CE1-CG1 4.18Å; F391-K403 HydrophobicContact CB-CD 3.89Å; F391-K403 HydrophobicContact CB-CG 4.24Å; F391-K403 HydrophobicContact CD1-CB 4.36Å; F391-K403 HydrophobicContact CD1-CG 3.99Å; F391-K403 HydrophobicContact CD2-CB 3.91Å; F391-K403 HydrophobicContact CD2-CD 4Å; F391-K403 HydrophobicContact CD2-CG 3.98Å; F391-K403 HydrophobicContact CE1-CB 4.3Å; F391-K403 HydrophobicContact CE1-CG 4.38Å; F391-K403 HydrophobicContact CE2-CB 3.83Å; F391-K403 HydrophobicContact CE2-CG 4.36Å; F391-K403 HydrophobicContact CG-CB 4.2Å; F391-K403 HydrophobicContact CG-CD 3.9Å; F391-K403 HydrophobicContact CG-CG 3.8Å; F391-K403 HydrophobicContact CZ-CB 4.05Å; F391-R404 VanDerWaalsContact CZ-O 3.25Å; F391-R404 WeakPolarHBondContact CZ-O 3.39Å; F391-Y425 AromaticContact CD2-CE1 3.75Å; F391-Y425 HydrophobicContact CD2-CE1 3.75Å; F391-Y425 HydrophobicContact CE2-CD1 4.38Å; F391-Y425 AromaticContact CE2-CE1 3.79Å; F391-Y425 HydrophobicContact CE2-CE1 3.79Å
392	E	97.8	Very high	97.5	Very high	70 Å²	70	55.4 Å²	55.4	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-39.2	173.6	-69.8	-170.2	179.6	0	0	112.1	R162 E388 E389 R390	R162-E392 IonicContact CZ-OE2 3.5Å; R162-E392 IonicContact NE-OE2 2.97Å; R162-E392 PolarHBondContact NE-OE2 2.97Å; R162-E392 IonicContact NH1-OE2 3.97Å; R162-E392 IonicContact NH2-OE2 3.07Å; R162-E392 PolarHBondContact NH2-OE2 3.38Å; E388-E392 WeakPolarHBondContact O-CG 3.48Å; E388-E392 PolarHBondContact O-N 3.37Å; E389-E392 PolarHBondContact O-N 3.21Å; R390-E392 VanDerWaalsContact C-N 3.31Å; R390-E392 PolarHBondContact O-N 3.4Å
393	L	97.9	Very high	97.5	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-43	174	-179.4	61.8	0	0	0	111.9	R162 M165 E389 R390 F391 A395 R396	R162-L393 HydrophobicContact CB-CD1 4.11Å; R162-L393 HydrophobicContact CG-CB 4.37Å; R162-L393 HydrophobicContact CG-CD1 4.27Å; M165-L393 HydrophobicContact CB-CD1 4.04Å; E389-L393 PolarHBondContact O-N 3.06Å; E389-L393 VanDerWaalsContact O-N 3.07Å; R390-L393 PolarHBondContact O-N 3.5Å; F391-L393 VanDerWaalsContact C-N 3.31Å; F391-L393 PolarHBondContact O-N 3.12Å; L393-A395 PolarHBondContact O-N 2.84Å; L393-R396 PolarHBondContact O-N 3.26Å
394	L	97.1	Very high	97.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-42.9	176.7	-71.1	178.2	0	0	0	111.8	P359 R390 F391 R396 R397 M398 V400	P359-L394 HydrophobicContact CB-CD1 4.31Å; R390-L394 WeakPolarHBondContact O-CG 3.31Å; R390-L394 PolarHBondContact O-N 2.9Å; F391-L394 HydrophobicContact CD1-CD1 4.26Å; F391-L394 HydrophobicContact CE1-CD1 4.43Å; F391-L394 PolarHBondContact O-N 3.07Å; L394-R396 PolarHBondContact O-N 2.91Å; L394-R396 VanDerWaalsContact O-N 3.08Å; L394-R397 VanDerWaalsContact O-CG 3.28Å; L394-R397 WeakPolarHBondContact O-CG 3.3Å; L394-R397 PolarHBondContact O-N 2.88Å; L394-M398 HydrophobicContact CD2-SD 4.22Å; L394-M398 WeakPolarHBondContact O-CG 3.28Å; L394-M398 PolarHBondContact O-N 3.19Å; L394-V400 HydrophobicContact CB-CG2 4.26Å
395	A	97.6	Very high	97.6	Very high	59 Å²	59	53.8 Å²	53.8	49%	0.488	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-20.8	-179.3	0	0	0	0	0	113.7	F391 L393 R397 M398 V400	F391-A395 WeakPolarHBondContact O-CB 3.5Å; F391-A395 PolarHBondContact O-N 2.81Å; L393-A395 PolarHBondContact O-N 2.84Å; A395-R397 VanDerWaalsContact C-N 3.33Å; A395-M398 WeakPolarHBondContact CA-O 3.38Å; A395-V400 HydrophobicContact CB-CG2 4.1Å
396	R	97.1	Very high	97.6	Very high	114 Å²	114	50 Å²	50	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.2	174.4	-71.4	-176	155.3	-79.4	6	114.2	H159 T166 L393 L394	H159-R396 PolarHBondContact O-NH2 3.47Å; T166-R396 HydrophobicContact CG2-CB 4.23Å; T166-R396 WeakPolarHBondContact OG1-CD 3.35Å; L393-R396 PolarHBondContact O-N 3.26Å; L394-R396 PolarHBondContact O-N 2.91Å; L394-R396 VanDerWaalsContact O-N 3.08Å
397	R	95.1	Very high	97.6	Very high	62 Å²	62	48.2 Å²	48.2	23%	0.234	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-16.7	-173.9	64.8	176.6	-172.4	177.3	3.5	114.4	Y170 L394 A395	Y170-R397 HydrophobicContact CE1-CB 4.49Å; Y170-R397 WeakPolarHBondContact OH-CA 3.44Å; Y170-R397 WeakPolarHBondContact OH-CB 3.43Å; L394-R397 VanDerWaalsContact O-CG 3.28Å; L394-R397 WeakPolarHBondContact O-CG 3.3Å; L394-R397 PolarHBondContact O-N 2.88Å; A395-R397 VanDerWaalsContact C-N 3.33Å
398	M	95.4	Very high	97.5	Very high	81 Å²	81	48.2 Å²	48.2	40%	0.399	23%	0.231	S	C	.	.	S	Bend	trans	-148.4	158.7	178.4	71.7	-166.6	-48.9	0	0	111.5	P359 L394 A395 V400	P359-M398 HydrophobicContact CB-SD 4.5Å; L394-M398 HydrophobicContact CD2-SD 4.22Å; L394-M398 WeakPolarHBondContact O-CG 3.28Å; L394-M398 PolarHBondContact O-N 3.19Å; A395-M398 WeakPolarHBondContact CA-O 3.38Å; M398-V400 PolarHBondContact O-N 3.46Å
399	H	96.4	Very high	97.4	Very high	161 Å²	161	45.5 Å²	45.5	75%	0.745	22%	0.218	S	C	*	.			trans	-71.6	122.2	173	-176.4	61.8	0	0	0	110.1
400	V	97.4	Very high	97	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.2	20%	0.199	C	C	.	.			trans	-101.3	97.7	173.8	-179.9	0	0	0	0	107.7	P359 F391 L394 A395 M398 K403	P359-V400 HydrophobicContact CG-CG1 4.21Å; P359-V400 HydrophobicContact CG-CG2 4.29Å; F391-V400 HydrophobicContact CD1-CG1 3.91Å; F391-V400 HydrophobicContact CE1-CG1 4.18Å; L394-V400 HydrophobicContact CB-CG2 4.26Å; A395-V400 HydrophobicContact CB-CG2 4.1Å; M398-V400 PolarHBondContact O-N 3.46Å; V400-K403 HydrophobicContact CG1-CG 4.19Å
401	D	96.2	Very high	96.6	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	20%	0.201	S	C	.	.	S	Bend	trans	-69.7	-37	179.9	68.9	-40.8	0	0	0	111.7	R404	D401-R404 IonicContact OD1-CZ 3.04Å; D401-R404 IonicContact OD1-NH1 3.03Å; D401-R404 PolarHBondContact OD1-NH1 2.92Å; D401-R404 IonicContact OD1-NH2 2.61Å; D401-R404 IonicContact OD2-CZ 2.68Å; D401-R404 IonicContact OD2-NH1 3.77Å; D401-R404 PolarHBondContact OD2-NH1 3.14Å; D401-R404 IonicContact OD2-NH2 2.62Å; D401-R404 PolarHBondContact OD2-NH2 2.71Å
402	K	97.3	Very high	96.2	Very high	77 Å²	77	42.5 Å²	42.5	34%	0.335	21%	0.209	S	C	.	.	S	Bend	trans	-152.2	140.7	175.6	-168.7	62.8	170.1	166.4	0	110.3	R404 N424 E426	K402-R404 HydrophobicContact CB-CG 4.48Å; K402-R404 HydrophobicContact CG-CG 4.47Å; K402-R404 PolarHBondContact O-N 3.4Å; K402-N424 PolarHBondContact NZ-O 2.8Å; K402-E426 HydrophobicContact CG-CB 3.79Å; K402-E426 WeakPolarHBondContact CG-OE2 3.34Å
403	K	98.4	Very high	95.9	Very high	50 Å²	50	42.3 Å²	42.3	22%	0.217	22%	0.216	C	C	.	.			trans	-78.4	98.3	173.5	-63.6	-168.6	-75.3	-175.8	0	110.1	E388 F391 V400 Y425 E426	E388-K403 IonicContact OE1-NZ 3.86Å; E388-K403 PolarHBondContact OE1-NZ 3.37Å; E388-K403 IonicContact OE2-NZ 2.62Å; E388-K403 PolarHBondContact OE2-NZ 3.35Å; F391-K403 HydrophobicContact CB-CD 3.89Å; F391-K403 HydrophobicContact CB-CG 4.24Å; F391-K403 HydrophobicContact CD1-CB 4.36Å; F391-K403 HydrophobicContact CD1-CG 3.99Å; F391-K403 HydrophobicContact CD2-CB 3.91Å; F391-K403 HydrophobicContact CD2-CD 4Å; F391-K403 HydrophobicContact CD2-CG 3.98Å; F391-K403 HydrophobicContact CE1-CB 4.3Å; F391-K403 HydrophobicContact CE1-CG 4.38Å; F391-K403 HydrophobicContact CE2-CB 3.83Å; F391-K403 HydrophobicContact CE2-CG 4.36Å; F391-K403 HydrophobicContact CG-CB 4.2Å; F391-K403 HydrophobicContact CG-CD 3.9Å; F391-K403 HydrophobicContact CG-CG 3.8Å; F391-K403 HydrophobicContact CZ-CB 4.05Å; V400-K403 HydrophobicContact CG1-CG 4.19Å; K403-Y425 HydrophobicContact CB-CD1 3.54Å; K403-Y425 HydrophobicContact CB-CE1 3.53Å; K403-Y425 HydrophobicContact CB-CG 4.2Å; K403-Y425 HydrophobicContact CD-CE1 3.98Å; K403-Y425 HydrophobicContact CD-CE2 4.34Å; K403-Y425 HydrophobicContact CG-CE1 4.34Å; K403-Y425 WeakPolarHBondContact O-CA 3.22Å; K403-Y425 WeakPolarHBondContact O-CD1 3.42Å; K403-E426 PolarHBondContact O-N 2.89Å
404	R	98.6	Very high	95.7	Very high	4 Å²	4	41 Å²	41	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.8	-177.8	-66.2	174	-173.1	103.7	7.1	112.1	K357 V360 I361 F391 D401 K402 E426 I428	K357-R404 WeakPolarHBondContact O-CD 3.21Å; V360-R404 WeakPolarHBondContact CA-O 3.41Å; V360-R404 HydrophobicContact CB-CB 4.05Å; V360-R404 HydrophobicContact CG2-CB 4Å; I361-R404 PolarHBondContact N-O 2.99Å; F391-R404 VanDerWaalsContact CZ-O 3.25Å; F391-R404 WeakPolarHBondContact CZ-O 3.39Å; D401-R404 IonicContact OD1-CZ 3.04Å; D401-R404 IonicContact OD1-NH1 3.03Å; D401-R404 PolarHBondContact OD1-NH1 2.92Å; D401-R404 IonicContact OD1-NH2 2.61Å; D401-R404 IonicContact OD2-CZ 2.68Å; D401-R404 IonicContact OD2-NH1 3.77Å; D401-R404 PolarHBondContact OD2-NH1 3.14Å; D401-R404 IonicContact OD2-NH2 2.62Å; D401-R404 PolarHBondContact OD2-NH2 2.71Å; K402-R404 HydrophobicContact CB-CG 4.48Å; K402-R404 HydrophobicContact CG-CG 4.47Å; K402-R404 PolarHBondContact O-N 3.4Å; R404-E426 CarbonylContact C-O 3.58Å; R404-E426 WeakPolarHBondContact CA-O 3.29Å; R404-E426 HydrophobicContact CG-CB 4.03Å; R404-E426 HydrophobicContact CG-CG 4.28Å; R404-E426 WeakPolarHBondContact CG-OE2 3.41Å; R404-E426 IonicContact CZ-OE2 2.8Å; R404-E426 IonicContact NE-OE2 3.1Å; R404-E426 PolarHBondContact NE-OE2 2.88Å; R404-E426 IonicContact NH2-OE2 3.17Å; R404-I428 HydrophobicContact CB-CD1 4.27Å
405	V	98.8	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.3	175.2	172.3	0	0	0	0	109.1	I361 V363 M384 V387 L407 Y425 E426 F427 I428	I361-V405 CarbonylContact O-C 3.53Å; I361-V405 VanDerWaalsContact O-CA 3.3Å; I361-V405 WeakPolarHBondContact O-CA 3.12Å; V363-V405 HydrophobicContact CB-CG1 3.93Å; V363-V405 HydrophobicContact CG2-CG1 3.56Å; M384-V405 HydrophobicContact CE-CG2 4.38Å; V387-V405 HydrophobicContact CG1-CG2 3.73Å; V405-L407 HydrophobicContact CG1-CB 4.43Å; V405-Y425 HydrophobicContact CG2-CD1 3.77Å; V405-Y425 HydrophobicContact CG2-CE1 4.16Å; V405-E426 PolarHBondContact N-O 3.29Å; V405-F427 HydrophobicContact CB-CD1 3.79Å; V405-F427 HydrophobicContact CB-CE1 3.87Å; V405-F427 HydrophobicContact CG1-CD1 3.83Å; V405-F427 HydrophobicContact CG1-CE1 3.81Å; V405-F427 HydrophobicContact CG2-CE1 4.32Å; V405-F427 CarbonylContact O-C 3.57Å; V405-F427 WeakPolarHBondContact O-CA 3.47Å; V405-I428 PolarHBondContact O-N 3.37Å
406	Y	98.7	Very high	95.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.3	164.5	-175.9	-94.9	0	0	0	108.6	L354 F356 I361 V363 A408 I428 D454 F457 L458	L354-Y406 HydrophobicContact CD1-CE2 4.31Å; F356-Y406 HydrophobicContact CD2-CD2 4.11Å; F356-Y406 HydrophobicContact CE2-CD2 4.21Å; F356-Y406 HydrophobicContact CE2-CG 4.28Å; I361-Y406 PolarHBondContact O-N 2.67Å; V363-Y406 PolarHBondContact N-O 3.12Å; Y406-A408 HydrophobicContact CE1-CB 4Å; Y406-I428 CarbonylContact C-O 3.57Å; Y406-I428 WeakPolarHBondContact CA-O 3.44Å; Y406-I428 HydrophobicContact CD2-CB 4.21Å; Y406-I428 HydrophobicContact CD2-CG2 3.89Å; Y406-I428 HydrophobicContact CE2-CG2 4.36Å; Y406-D454 PolarHBondContact OH-OD1 3.38Å; Y406-F457 HydrophobicContact CD1-CB 3.73Å; Y406-F457 HydrophobicContact CD2-CB 3.71Å; Y406-F457 HydrophobicContact CD2-CG 4.21Å; Y406-F457 HydrophobicContact CE1-CB 3.5Å; Y406-F457 HydrophobicContact CE1-CG 4.48Å; Y406-F457 HydrophobicContact CE2-CB 3.46Å; Y406-F457 VanDerWaalsContact CE2-CB 3.46Å; Y406-F457 AromaticContact CE2-CD2 3.68Å; Y406-F457 HydrophobicContact CE2-CD2 3.68Å; Y406-F457 AromaticContact CE2-CG 3.71Å; Y406-F457 HydrophobicContact CE2-CG 3.71Å; Y406-F457 HydrophobicContact CG-CB 3.84Å; Y406-F457 AromaticContact CZ-CD2 3.7Å; Y406-F457 AromaticContact CZ-CG 3.9Å; Y406-L458 HydrophobicContact CD1-CD2 4Å; Y406-L458 HydrophobicContact CD1-CG 4.11Å; Y406-L458 HydrophobicContact CE1-CG 4.21Å
407	L	98.4	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.2	-176.1	178.9	65.5	0	0	0	110.6	V363 V365 V405 L414 L415 A418 F427 I428 S429	V363-L407 HydrophobicContact CB-CD1 4.26Å; V363-L407 HydrophobicContact CG1-CD1 4.07Å; V365-L407 HydrophobicContact CG2-CD1 4.03Å; V405-L407 HydrophobicContact CG1-CB 4.43Å; L407-L414 HydrophobicContact CD1-CD2 4.28Å; L407-L414 HydrophobicContact CD2-CG 4.25Å; L407-L415 HydrophobicContact CD2-CB 4.47Å; L407-L415 HydrophobicContact CD2-CD1 4.1Å; L407-A418 HydrophobicContact CD2-CB 4.27Å; L407-F427 HydrophobicContact CB-CD1 4.34Å; L407-F427 HydrophobicContact CD2-CD1 4.41Å; L407-I428 PolarHBondContact N-O 3.09Å; L407-S429 WeakPolarHBondContact O-CB 3.4Å; L407-S429 PolarHBondContact O-OG 2.91Å
408	A	97.6	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.5	172.6	0	0	0	0	0	110.3	V363 H364 V365 Y406 D454 L458	V363-A408 PolarHBondContact O-N 3.29Å; H364-A408 WeakPolarHBondContact CA-O 3.41Å; H364-A408 PolarHBondContact ND1-O 3.39Å; V365-A408 PolarHBondContact N-O 3.42Å; Y406-A408 HydrophobicContact CE1-CB 4Å; A408-D454 HydrophobicContact CB-CB 3.93Å; A408-L458 HydrophobicContact CB-CD1 3.77Å; A408-L458 HydrophobicContact CB-CD2 4.09Å; A408-L458 HydrophobicContact CB-CG 4.02Å
409	T	94.5	Very high	95.7	Very high	4 Å²	4	42 Å²	42	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.1	-177.2	-172.8	0	0	0	0	112.2	V365 D411 L414 S434	V365-T409 VanDerWaalsContact O-CA 3.31Å; V365-T409 WeakPolarHBondContact O-CA 3.49Å; V365-T409 WeakPolarHBondContact O-CB 3.32Å; V365-T409 PolarHBondContact O-OG1 2.92Å; T409-D411 VanDerWaalsContact CG2-O 3.26Å; T409-D411 WeakPolarHBondContact CG2-O 3.43Å; T409-D411 PolarHBondContact OG1-N 2.9Å; T409-D411 VanDerWaalsContact OG1-N 3.14Å; T409-L414 HydrophobicContact CG2-CB 4.25Å; T409-L414 HydrophobicContact CG2-CD2 4.17Å; T409-S434 WeakPolarHBondContact O-CA 3.15Å; T409-S434 WeakPolarHBondContact O-CB 3.33Å; T409-S434 PolarHBondContact O-OG 3.39Å
410	D	89.8	Confident	95.8	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	-92.8	2.9	169.5	61.3	-22.7	0	0	0	113.2	R366 R367 T368 A437	R366-D410 WeakPolarHBondContact CA-OD1 3.45Å; R366-D410 WeakPolarHBondContact CD-OD2 3.25Å; R366-D410 IonicContact CZ-OD2 3.77Å; R366-D410 IonicContact NE-OD2 3.33Å; R366-D410 PolarHBondContact NE-OD2 2.9Å; R366-D410 IonicContact NH1-OD2 2.68Å; R366-D410 PolarHBondContact NH1-OD2 3.08Å; R366-D410 VanDerWaalsContact NH1-OD2 3.1Å; R366-D410 IonicContact NH2-OD2 2.76Å; R367-D410 PolarHBondContact N-OD1 3.45Å; T368-D410 VanDerWaalsContact CB-OD2 3.28Å; T368-D410 WeakPolarHBondContact CB-OD2 3.41Å; T368-D410 HydrophobicContact CG2-CB 4.04Å; T368-D410 WeakPolarHBondContact CG2-O 3.41Å; T368-D410 WeakPolarHBondContact CG2-OD2 3.3Å; T368-D410 PolarHBondContact N-OD2 2.85Å; T368-D410 PolarHBondContact OG1-OD2 3.27Å; D410-A437 HydrophobicContact CB-CB 4.08Å
411	D	90.1	Very high	95.8	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	22%	0.215	C	C	.	.			trans	-106.5	104.6	174.3	178.9	-2.2	0	0	0	110.8	R367 T409 S413 L414	R367-D411 HydrophobicContact CB-CB 4.1Å; R367-D411 WeakPolarHBondContact CD-OD2 3.38Å; R367-D411 IonicContact CZ-OD2 3.16Å; R367-D411 IonicContact NE-OD2 2.75Å; R367-D411 IonicContact NH1-OD2 3.24Å; R367-D411 PolarHBondContact NH1-OD2 2.79Å; T409-D411 VanDerWaalsContact CG2-O 3.26Å; T409-D411 WeakPolarHBondContact CG2-O 3.43Å; T409-D411 PolarHBondContact OG1-N 2.9Å; T409-D411 VanDerWaalsContact OG1-N 3.14Å; D411-S413 PolarHBondContact O-N 3.3Å; D411-S413 VanDerWaalsContact O-N 3.13Å; D411-S413 WeakPolarHBondContact OD1-CB 3.28Å; D411-S413 PolarHBondContact OD1-N 3.42Å; D411-S413 PolarHBondContact OD1-OG 3.13Å; D411-S413 PolarHBondContact OD2-OG 2.99Å; D411-L414 HydrophobicContact CB-CB 4.3Å; D411-L414 WeakPolarHBondContact O-CB 3.35Å; D411-L414 PolarHBondContact O-N 2.72Å
412	P	89	Confident	95.9	Very high	30 Å²	30	40 Å²	40	20%	0.195	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12	-176.6	28.4	-35	0	0	0	114.1	N431 W435	P412-N431 PolarHBondContact O-ND2 3.47Å; P412-N431 VanDerWaalsContact O-ND2 3.17Å; P412-N431 PolarHBondContact O-OD1 3Å; P412-W435 HydrophobicContact CB-CD2 3.8Å; P412-W435 HydrophobicContact CB-CE3 4.46Å; P412-W435 HydrophobicContact CB-CG 4Å; P412-W435 HydrophobicContact CB-CZ2 4Å; P412-W435 HydrophobicContact CG-CD2 3.93Å; P412-W435 HydrophobicContact CG-CE3 4.09Å; P412-W435 HydrophobicContact CG-CH2 4.19Å; P412-W435 HydrophobicContact CG-CZ2 4.02Å; P412-W435 HydrophobicContact CG-CZ3 4.22Å
413	S	92.2	Very high	96	Very high	66 Å²	66	40.8 Å²	40.8	46%	0.462	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-23.6	177.9	74.3	0	0	0	0	112.9	D411 L415 Q416 E417	D411-S413 PolarHBondContact O-N 3.3Å; D411-S413 VanDerWaalsContact O-N 3.13Å; D411-S413 WeakPolarHBondContact OD1-CB 3.28Å; D411-S413 PolarHBondContact OD1-N 3.42Å; D411-S413 PolarHBondContact OD1-OG 3.13Å; D411-S413 PolarHBondContact OD2-OG 2.99Å; S413-L415 VanDerWaalsContact C-N 3.33Å; S413-L415 PolarHBondContact O-N 3.14Å; S413-Q416 PolarHBondContact O-N 3.2Å; S413-E417 PolarHBondContact O-N 2.87Å
414	L	94.4	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-33.1	-172.2	178.7	56.7	0	0	0	113.3	V365 I380 L407 T409 D411 Q416 E417 A418	V365-L414 HydrophobicContact CB-CD2 3.5Å; V365-L414 VanDerWaalsContact CB-CD2 3.5Å; V365-L414 HydrophobicContact CG1-CD2 3.57Å; V365-L414 HydrophobicContact CG2-CD2 3.78Å; I380-L414 HydrophobicContact CB-CD1 3.94Å; I380-L414 HydrophobicContact CD1-CD1 4.2Å; I380-L414 HydrophobicContact CG1-CD1 4.14Å; L407-L414 HydrophobicContact CD1-CD2 4.28Å; L407-L414 HydrophobicContact CD2-CG 4.25Å; T409-L414 HydrophobicContact CG2-CB 4.25Å; T409-L414 HydrophobicContact CG2-CD2 4.17Å; D411-L414 HydrophobicContact CB-CB 4.3Å; D411-L414 WeakPolarHBondContact O-CB 3.35Å; D411-L414 PolarHBondContact O-N 2.72Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 2.72Å; L414-E417 HydrophobicContact CD1-CB 4.42Å; L414-E417 WeakPolarHBondContact CD1-OE2 3.47Å; L414-E417 WeakPolarHBondContact O-CB 3.34Å; L414-E417 PolarHBondContact O-N 3.45Å; L414-A418 WeakPolarHBondContact O-CB 3.44Å; L414-A418 PolarHBondContact O-N 3.29Å
415	L	95.7	Very high	95.9	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-40.2	179.4	-180	61.3	0	0	0	112	L407 S413 K419 F427 N431	L407-L415 HydrophobicContact CD2-CB 4.47Å; L407-L415 HydrophobicContact CD2-CD1 4.1Å; S413-L415 VanDerWaalsContact C-N 3.33Å; S413-L415 PolarHBondContact O-N 3.14Å; L415-K419 HydrophobicContact CD1-CD 4.43Å; L415-K419 HydrophobicContact CG-CD 4.49Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CG 3.34Å; L415-K419 PolarHBondContact O-N 3.3Å; L415-K419 VanDerWaalsContact O-N 3.12Å; L415-F427 HydrophobicContact CD1-CB 3.94Å; L415-N431 HydrophobicContact CD2-CB 3.94Å
416	Q	95.8	Very high	95.9	Very high	158 Å²	158	47.9 Å²	47.9	74%	0.738	25%	0.253	S	S	*	.	H	α-helix	trans	-71.3	-40.4	177.9	-173.4	176.1	4.3	0	0	111	S413 L414 S420	S413-Q416 PolarHBondContact O-N 3.2Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 2.72Å; Q416-S420 WeakPolarHBondContact O-CB 3.49Å; Q416-S420 PolarHBondContact O-N 2.96Å
417	E	96.3	Very high	95.9	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-51.5	173.9	-173.6	-167.7	163.5	0	0	111.3	R367 S413 L414 K419 S420 K421	R367-E417 IonicContact CZ-OE2 3.52Å; R367-E417 IonicContact NH1-OE2 2.63Å; R367-E417 PolarHBondContact NH1-OE2 3.1Å; R367-E417 IonicContact NH2-OE2 3.86Å; R367-E417 PolarHBondContact NH2-OE2 2.75Å; S413-E417 PolarHBondContact O-N 2.87Å; L414-E417 HydrophobicContact CD1-CB 4.42Å; L414-E417 WeakPolarHBondContact CD1-OE2 3.47Å; L414-E417 WeakPolarHBondContact O-CB 3.34Å; L414-E417 PolarHBondContact O-N 3.45Å; E417-K419 PolarHBondContact O-N 2.97Å; E417-S420 WeakPolarHBondContact O-CB 3.08Å; E417-S420 PolarHBondContact O-N 3.4Å; E417-K421 HydrophobicContact CG-CD 4.16Å; E417-K421 PolarHBondContact O-N 2.92Å; E417-K421 IonicContact OE1-NZ 3.22Å; E417-K421 PolarHBondContact OE1-NZ 2.96Å
418	A	97.3	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-44.4	-178.3	0	0	0	0	0	112.1	I380 L407 L414 S420 K421 Y422 F427	I380-A418 HydrophobicContact CG1-CB 4.32Å; L407-A418 HydrophobicContact CD2-CB 4.27Å; L414-A418 WeakPolarHBondContact O-CB 3.44Å; L414-A418 PolarHBondContact O-N 3.29Å; A418-S420 VanDerWaalsContact C-N 3.29Å; A418-S420 PolarHBondContact O-N 3.21Å; A418-K421 PolarHBondContact O-N 3.41Å; A418-Y422 WeakPolarHBondContact O-CB 3.49Å; A418-Y422 WeakPolarHBondContact O-CD2 3.32Å; A418-Y422 PolarHBondContact O-N 3.47Å; A418-F427 HydrophobicContact CB-CD1 4.21Å; A418-F427 HydrophobicContact CB-CE1 3.75Å; A418-F427 HydrophobicContact CB-CE2 4.13Å; A418-F427 HydrophobicContact CB-CZ 3.71Å; A418-F427 WeakPolarHBondContact O-CE2 3.46Å
419	K	97.5	Very high	95.7	Very high	109 Å²	109	50 Å²	50	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-35.5	175.7	-76.6	-179.1	176.3	-177.9	0	112.9	L415 E417 F427	L415-K419 HydrophobicContact CD1-CD 4.43Å; L415-K419 HydrophobicContact CG-CD 4.49Å; L415-K419 WeakPolarHBondContact O-CB 3.36Å; L415-K419 WeakPolarHBondContact O-CG 3.34Å; L415-K419 PolarHBondContact O-N 3.3Å; L415-K419 VanDerWaalsContact O-N 3.12Å; E417-K419 PolarHBondContact O-N 2.97Å; K419-F427 HydrophobicContact CG-CB 4.22Å; K419-F427 HydrophobicContact CG-CD2 3.83Å; K419-F427 HydrophobicContact CG-CG 4.32Å
420	S	97.8	Very high	95.5	Very high	98 Å²	98	51.8 Å²	51.8	69%	0.685	27%	0.274	S	S	*	.	H	α-helix	trans	-70.3	-46.1	178.1	-172.6	0	0	0	0	111.9	Q416 E417 A418	Q416-S420 WeakPolarHBondContact O-CB 3.49Å; Q416-S420 PolarHBondContact O-N 2.96Å; E417-S420 WeakPolarHBondContact O-CB 3.08Å; E417-S420 PolarHBondContact O-N 3.4Å; A418-S420 VanDerWaalsContact C-N 3.29Å; A418-S420 PolarHBondContact O-N 3.21Å
421	K	98.2	Very high	95.4	Very high	91 Å²	91	54 Å²	54	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-74.8	-30.8	-178.1	-70.6	178.8	175.8	176.2	0	113.4	I380 E381 E417 A418 P423	I380-K421 HydrophobicContact CG2-CD 4Å; E381-K421 VanDerWaalsContact OE1-CD 3.31Å; E381-K421 WeakPolarHBondContact OE1-CD 3.44Å; E381-K421 WeakPolarHBondContact OE1-CE 3.31Å; E381-K421 IonicContact OE1-NZ 3.78Å; E381-K421 PolarHBondContact OE1-NZ 3.5Å; E381-K421 IonicContact OE2-NZ 2.68Å; E381-K421 PolarHBondContact OE2-NZ 3.39Å; E417-K421 HydrophobicContact CG-CD 4.16Å; E417-K421 PolarHBondContact O-N 2.92Å; E417-K421 IonicContact OE1-NZ 3.22Å; E417-K421 PolarHBondContact OE1-NZ 2.96Å; A418-K421 PolarHBondContact O-N 3.41Å; K421-P423 VanDerWaalsContact C-CD 3.44Å; K421-P423 WeakPolarHBondContact O-CD 3.49Å
422	Y	98.3	Very high	95.2	Very high	51 Å²	51	56 Å²	56	20%	0.2	30%	0.302	C	S	.	.			trans	-124.9	64.1	-173.5	-58.5	-83.4	0	0	0	112.3	I380 E381 M384 A418 N424 Y425 F427	I380-Y422 HydrophobicContact CG1-CE2 4.42Å; I380-Y422 HydrophobicContact CG2-CE2 4.23Å; E381-Y422 WeakPolarHBondContact CA-OH 3.49Å; M384-Y422 HydrophobicContact CB-CD1 4.45Å; M384-Y422 HydrophobicContact CB-CE1 3.72Å; M384-Y422 HydrophobicContact CB-CE2 4.04Å; M384-Y422 VanDerWaalsContact CB-CZ 3.49Å; M384-Y422 WeakPolarHBondContact CB-OH 3.45Å; M384-Y422 HydrophobicContact CE-CD1 4.01Å; M384-Y422 HydrophobicContact CE-CD2 4.4Å; M384-Y422 HydrophobicContact CE-CE1 4.38Å; M384-Y422 HydrophobicContact CE-CG 4.03Å; M384-Y422 HydrophobicContact CG-CD2 4.06Å; M384-Y422 HydrophobicContact CG-CE1 4.09Å; M384-Y422 HydrophobicContact CG-CE2 3.62Å; M384-Y422 HydrophobicContact CG-CG 4.5Å; A418-Y422 WeakPolarHBondContact O-CB 3.49Å; A418-Y422 WeakPolarHBondContact O-CD2 3.32Å; A418-Y422 PolarHBondContact O-N 3.47Å; Y422-N424 PolarHBondContact O-N 3.46Å; Y422-N424 VanDerWaalsContact O-N 3.1Å; Y422-Y425 HydrophobicContact CD1-CD2 4.42Å; Y422-Y425 HydrophobicContact CD1-CE2 4.41Å; Y422-Y425 WeakPolarHBondContact O-CB 3.38Å; Y422-Y425 PolarHBondContact O-N 2.73Å; Y422-F427 HydrophobicContact CD2-CZ 4.36Å; Y422-F427 HydrophobicContact CG-CZ 4.46Å
423	P	97.8	Very high	95	Very high	95 Å²	95	55.2 Å²	55.2	62%	0.617	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.1	-175	27.6	-36.5	0	0	0	113.9	K421 Y425	K421-P423 VanDerWaalsContact C-CD 3.44Å; K421-P423 WeakPolarHBondContact O-CD 3.49Å; P423-Y425 VanDerWaalsContact C-N 3.27Å; P423-Y425 PolarHBondContact O-N 2.91Å
424	N	97.4	Very high	94.5	Very high	121 Å²	121	52.1 Å²	52.1	65%	0.647	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.3	177.7	-67.2	-28.7	0	0	0	113	K402 Y422	K402-N424 PolarHBondContact NZ-O 2.8Å; Y422-N424 PolarHBondContact O-N 3.46Å; Y422-N424 VanDerWaalsContact O-N 3.1Å
425	Y	98.4	Very high	93.8	Very high	17 Å²	17	60.3 Å²	60.3	7%	0.067	31%	0.306	C	S	.	.	S	Bend	trans	-92.7	150.9	-178.9	-77.4	-99.7	0	0	0	112.4	M384 V387 E388 F391 K403 V405 Y422 P423	M384-Y425 HydrophobicContact CE-CD1 3.93Å; M384-Y425 HydrophobicContact CE-CD2 4.12Å; M384-Y425 HydrophobicContact CE-CE1 3.75Å; M384-Y425 HydrophobicContact CE-CE2 3.97Å; M384-Y425 HydrophobicContact CE-CG 4.09Å; V387-Y425 HydrophobicContact CG1-CE1 3.71Å; E388-Y425 WeakPolarHBondContact CA-OH 3.32Å; E388-Y425 VanDerWaalsContact CD-OH 3.25Å; E388-Y425 WeakPolarHBondContact OE2-CE2 3.3Å; E388-Y425 PolarHBondContact OE2-OH 2.88Å; F391-Y425 AromaticContact CD2-CE1 3.75Å; F391-Y425 HydrophobicContact CD2-CE1 3.75Å; F391-Y425 HydrophobicContact CE2-CD1 4.38Å; F391-Y425 AromaticContact CE2-CE1 3.79Å; F391-Y425 HydrophobicContact CE2-CE1 3.79Å; K403-Y425 HydrophobicContact CB-CD1 3.54Å; K403-Y425 HydrophobicContact CB-CE1 3.53Å; K403-Y425 HydrophobicContact CB-CG 4.2Å; K403-Y425 HydrophobicContact CD-CE1 3.98Å; K403-Y425 HydrophobicContact CD-CE2 4.34Å; K403-Y425 HydrophobicContact CG-CE1 4.34Å; K403-Y425 WeakPolarHBondContact O-CA 3.22Å; K403-Y425 WeakPolarHBondContact O-CD1 3.42Å; V405-Y425 HydrophobicContact CG2-CD1 3.77Å; V405-Y425 HydrophobicContact CG2-CE1 4.16Å; Y422-Y425 HydrophobicContact CD1-CD2 4.42Å; Y422-Y425 HydrophobicContact CD1-CE2 4.41Å; Y422-Y425 WeakPolarHBondContact O-CB 3.38Å; Y422-Y425 PolarHBondContact O-N 2.73Å; P423-Y425 VanDerWaalsContact C-N 3.27Å; P423-Y425 PolarHBondContact O-N 2.91Å
426	E	98.3	Very high	93.1	Very high	64 Å²	64	59.9 Å²	59.9	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	104.6	170	178.8	-177	176.3	0	0	108.7	K402 K403 R404 V405	K402-E426 HydrophobicContact CG-CB 3.79Å; K402-E426 WeakPolarHBondContact CG-OE2 3.34Å; K403-E426 PolarHBondContact O-N 2.89Å; R404-E426 CarbonylContact C-O 3.58Å; R404-E426 WeakPolarHBondContact CA-O 3.29Å; R404-E426 HydrophobicContact CG-CB 4.03Å; R404-E426 HydrophobicContact CG-CG 4.28Å; R404-E426 WeakPolarHBondContact CG-OE2 3.41Å; R404-E426 IonicContact CZ-OE2 2.8Å; R404-E426 IonicContact NE-OE2 3.1Å; R404-E426 PolarHBondContact NE-OE2 2.88Å; R404-E426 IonicContact NH2-OE2 3.17Å; V405-E426 PolarHBondContact N-O 3.29Å
427	F	98.2	Very high	92.3	Very high	17 Å²	17	53.2 Å²	53.2	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.6	177.1	-69.9	-86.1	0	0	0	111.2	M384 V405 L407 L415 A418 K419 Y422	M384-F427 HydrophobicContact CE-CZ 4.18Å; M384-F427 HydrophobicContact SD-CE1 4.3Å; M384-F427 HydrophobicContact SD-CZ 4.32Å; V405-F427 HydrophobicContact CB-CD1 3.79Å; V405-F427 HydrophobicContact CB-CE1 3.87Å; V405-F427 HydrophobicContact CG1-CD1 3.83Å; V405-F427 HydrophobicContact CG1-CE1 3.81Å; V405-F427 HydrophobicContact CG2-CE1 4.32Å; V405-F427 CarbonylContact O-C 3.57Å; V405-F427 WeakPolarHBondContact O-CA 3.47Å; L407-F427 HydrophobicContact CB-CD1 4.34Å; L407-F427 HydrophobicContact CD2-CD1 4.41Å; L415-F427 HydrophobicContact CD1-CB 3.94Å; A418-F427 HydrophobicContact CB-CD1 4.21Å; A418-F427 HydrophobicContact CB-CE1 3.75Å; A418-F427 HydrophobicContact CB-CE2 4.13Å; A418-F427 HydrophobicContact CB-CZ 3.71Å; A418-F427 WeakPolarHBondContact O-CE2 3.46Å; K419-F427 HydrophobicContact CG-CB 4.22Å; K419-F427 HydrophobicContact CG-CD2 3.83Å; K419-F427 HydrophobicContact CG-CG 4.32Å; Y422-F427 HydrophobicContact CD2-CZ 4.36Å; Y422-F427 HydrophobicContact CG-CZ 4.46Å
428	I	97.8	Very high	91.3	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.8	172.8	-54.4	169.2	0	0	0	107	L354 V360 R404 V405 Y406 L407	L354-I428 HydrophobicContact CB-CG2 3.81Å; V360-I428 HydrophobicContact CG2-CD1 4.46Å; R404-I428 HydrophobicContact CB-CD1 4.27Å; V405-I428 PolarHBondContact O-N 3.37Å; Y406-I428 CarbonylContact C-O 3.57Å; Y406-I428 WeakPolarHBondContact CA-O 3.44Å; Y406-I428 HydrophobicContact CD2-CB 4.21Å; Y406-I428 HydrophobicContact CD2-CG2 3.89Å; Y406-I428 HydrophobicContact CE2-CG2 4.36Å; L407-I428 PolarHBondContact N-O 3.09Å
429	S	95.1	Very high	90.4	Very high	20 Å²	20	56.8 Å²	56.8	14%	0.14	30%	0.302	C	S	.	.			trans	-165.8	143.6	-179.5	-175	0	0	0	0	109.4	L407	L407-S429 WeakPolarHBondContact O-CB 3.4Å; L407-S429 PolarHBondContact O-OG 2.91Å
430	D	90.7	Very high	89.4	Confident	41 Å²	41	60.5 Å²	60.5	22%	0.219	32%	0.32	C	S	.	.			trans	-99.3	98.6	166.9	-167.3	-31.4	0	0	0	109.4	L354 S432 I433	L354-D430 HydrophobicContact CD2-CB 4.33Å; D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 VanDerWaalsContact O-N 3.08Å; D430-S432 VanDerWaalsContact OD1-CB 3.29Å; D430-S432 WeakPolarHBondContact OD1-CB 3.44Å; D430-S432 PolarHBondContact OD1-N 2.95Å; D430-S432 PolarHBondContact OD1-OG 2.62Å; D430-I433 HydrophobicContact CB-CD1 3.78Å; D430-I433 HydrophobicContact CB-CG1 3.93Å; D430-I433 WeakPolarHBondContact O-CB 3.4Å; D430-I433 PolarHBondContact O-N 3.24Å
431	N	88.2	Confident	88.7	Confident	50 Å²	50	60.1 Å²	60.1	27%	0.267	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-20.1	-176.4	-152.8	31.5	0	0	0	113	P412 L415 I433 S434 W435	P412-N431 PolarHBondContact O-ND2 3.47Å; P412-N431 VanDerWaalsContact O-ND2 3.17Å; P412-N431 PolarHBondContact O-OD1 3Å; L415-N431 HydrophobicContact CD2-CB 3.94Å; N431-I433 VanDerWaalsContact C-N 3.26Å; N431-I433 PolarHBondContact O-N 2.8Å; N431-S434 WeakPolarHBondContact O-CB 3.28Å; N431-S434 PolarHBondContact O-N 3.18Å; N431-S434 PolarHBondContact OD1-OG 3.08Å; N431-W435 PolarHBondContact O-N 2.81Å; N431-W435 VanDerWaalsContact O-N 3.17Å
432	S	84.6	Confident	88	Confident	71 Å²	71	56.6 Å²	56.6	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-29.8	175.1	75.6	0	0	0	0	112	D430 W435 S436	D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 VanDerWaalsContact O-N 3.08Å; D430-S432 VanDerWaalsContact OD1-CB 3.29Å; D430-S432 WeakPolarHBondContact OD1-CB 3.44Å; D430-S432 PolarHBondContact OD1-N 2.95Å; D430-S432 PolarHBondContact OD1-OG 2.62Å; S432-W435 PolarHBondContact O-N 2.04Å; S432-S436 PolarHBondContact O-N 3.42Å; S432-S436 VanDerWaalsContact O-N 3.1Å
433	I	84.9	Confident	87.6	Confident	13 Å²	13	59.1 Å²	59.1	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-46.2	172	-63.5	178.1	0	0	0	109.8	D430 N431 W435 S436 A437 L453 D454	D430-I433 HydrophobicContact CB-CD1 3.78Å; D430-I433 HydrophobicContact CB-CG1 3.93Å; D430-I433 WeakPolarHBondContact O-CB 3.4Å; D430-I433 PolarHBondContact O-N 3.24Å; N431-I433 VanDerWaalsContact C-N 3.26Å; N431-I433 PolarHBondContact O-N 2.8Å; I433-W435 VanDerWaalsContact C-N 3.3Å; I433-W435 PolarHBondContact O-N 2.93Å; I433-S436 WeakPolarHBondContact O-CA 3.42Å; I433-S436 WeakPolarHBondContact O-CB 3.3Å; I433-S436 PolarHBondContact O-N 3.03Å; I433-S436 PolarHBondContact O-OG 3.34Å; I433-A437 PolarHBondContact O-N 2.92Å; I433-L453 HydrophobicContact CD1-CB 4.2Å; I433-L453 HydrophobicContact CD1-CD1 4.28Å; I433-D454 VanDerWaalsContact CG2-OD2 3.26Å; I433-D454 WeakPolarHBondContact CG2-OD2 3.43Å
434	S	82.3	Confident	87.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-43.2	176.9	-44.7	0	0	0	0	112.2	T409 N431 S436 A437	T409-S434 WeakPolarHBondContact O-CA 3.15Å; T409-S434 WeakPolarHBondContact O-CB 3.33Å; T409-S434 PolarHBondContact O-OG 3.39Å; N431-S434 WeakPolarHBondContact O-CB 3.28Å; N431-S434 PolarHBondContact O-N 3.18Å; N431-S434 PolarHBondContact OD1-OG 3.08Å; S434-S436 PolarHBondContact O-N 3.33Å; S434-A437 PolarHBondContact O-N 2.76Å
435	W	79.6	Confident	87	Confident	171 Å²	171	55.6 Å²	55.6	65%	0.648	28%	0.28	S	S	*	.	H	α-helix	trans	-62.5	-40	174	-78.6	105.1	0	0	0	112.9	P412 N431 S432 I433 A437 G438	P412-W435 HydrophobicContact CB-CD2 3.8Å; P412-W435 HydrophobicContact CB-CE3 4.46Å; P412-W435 HydrophobicContact CB-CG 4Å; P412-W435 HydrophobicContact CB-CZ2 4Å; P412-W435 HydrophobicContact CG-CD2 3.93Å; P412-W435 HydrophobicContact CG-CE3 4.09Å; P412-W435 HydrophobicContact CG-CH2 4.19Å; P412-W435 HydrophobicContact CG-CZ2 4.02Å; P412-W435 HydrophobicContact CG-CZ3 4.22Å; N431-W435 PolarHBondContact O-N 2.81Å; N431-W435 VanDerWaalsContact O-N 3.17Å; S432-W435 PolarHBondContact O-N 2.04Å; I433-W435 VanDerWaalsContact C-N 3.3Å; I433-W435 PolarHBondContact O-N 2.93Å; W435-A437 VanDerWaalsContact C-N 3.28Å; W435-A437 PolarHBondContact O-N 3.37Å; W435-G438 PolarHBondContact O-N 2.9Å
436	S	81.9	Confident	86.7	Confident	8 Å²	8	59.7 Å²	59.7	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-71	-21.6	179.3	80.5	0	0	0	0	113.6	S432 I433 S434 G438 N441 S447	S432-S436 PolarHBondContact O-N 3.42Å; S432-S436 VanDerWaalsContact O-N 3.1Å; I433-S436 WeakPolarHBondContact O-CA 3.42Å; I433-S436 WeakPolarHBondContact O-CB 3.3Å; I433-S436 PolarHBondContact O-N 3.03Å; I433-S436 PolarHBondContact O-OG 3.34Å; S434-S436 PolarHBondContact O-N 3.33Å; S436-G438 VanDerWaalsContact C-N 3.31Å; S436-N441 CarbonylContact O-C 3.48Å; S436-S447 WeakPolarHBondContact O-CB 3.45Å; S436-S447 PolarHBondContact O-OG 3.37Å
437	A	76.9	Confident	86.5	Confident	18 Å²	18	56.9 Å²	56.9	15%	0.149	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-13.8	179	0	0	0	0	0	113.6	D410 I433 S434 W435 R442	D410-A437 HydrophobicContact CB-CB 4.08Å; I433-A437 PolarHBondContact O-N 2.92Å; S434-A437 PolarHBondContact O-N 2.76Å; W435-A437 VanDerWaalsContact C-N 3.28Å; W435-A437 PolarHBondContact O-N 3.37Å; A437-R442 PolarHBondContact O-NE 2.96Å; A437-R442 VanDerWaalsContact O-NE 3.09Å
438	G	77.3	Confident	86.3	Confident	22 Å²	22	56 Å²	56	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-59.6	151.5	175.7	0	0	0	0	0	112.9	W435 S436 H440 N441 R442	W435-G438 PolarHBondContact O-N 2.9Å; S436-G438 VanDerWaalsContact C-N 3.31Å; G438-H440 PolarHBondContact O-N 3.08Å; G438-N441 PolarHBondContact O-N 3.05Å; G438-R442 WeakPolarHBondContact O-CB 3.36Å; G438-R442 PolarHBondContact O-N 3.16Å
439	L	77.3	Confident	86.2	Confident	106 Å²	106	59.1 Å²	59.1	56%	0.555	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.2	-170.1	-74.5	169.6	0	0	0	114.8	D369	D369-L439 HydrophobicContact CB-CD2 4.09Å
440	H	77.2	Confident	86.2	Confident	186 Å²	186	58.3 Å²	58.3	86%	0.861	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.7	-178.6	-63.2	-64.9	0	0	0	114.3	G438	G438-H440 PolarHBondContact O-N 3.08Å
441	N	82.2	Confident	86.5	Confident	91 Å²	91	57.5 Å²	57.5	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-0.4	-173.3	-66.3	-40.6	0	0	0	113.6	S436 G438 Y443 T444 S447	S436-N441 CarbonylContact O-C 3.48Å; G438-N441 PolarHBondContact O-N 3.05Å; N441-Y443 VanDerWaalsContact C-N 3.3Å; N441-Y443 PolarHBondContact O-N 3.35Å; N441-T444 WeakPolarHBondContact O-CG2 3.38Å; N441-T444 PolarHBondContact O-OG1 3.37Å; N441-S447 WeakPolarHBondContact O-CB 3.25Å
442	R	83.6	Confident	86.9	Confident	16 Å²	16	55.7 Å²	55.7	6%	0.06	28%	0.279	C	S	.	.	S	Bend	trans	-57.2	-36.4	-170.7	-174	179.9	-68.8	-174.1	-2.6	114.6	Y251 R366 T368 D369 A437 G438 T444 S447	Y251-R442 WeakPolarHBondContact CE1-O 3.3Å; R366-R442 VanDerWaalsContact NH2-NH2 3.13Å; T368-R442 PolarHBondContact OG1-NH2 3.25Å; D369-R442 IonicContact OD1-CZ 3.85Å; D369-R442 IonicContact OD1-NH1 2.67Å; D369-R442 PolarHBondContact OD1-NH1 3.42Å; D369-R442 VanDerWaalsContact OD1-NH1 3.09Å; D369-R442 IonicContact OD1-NH2 2.75Å; D369-R442 PolarHBondContact OD1-NH2 3.42Å; D369-R442 IonicContact OD2-CZ 2.75Å; D369-R442 IonicContact OD2-NH1 2.69Å; D369-R442 PolarHBondContact OD2-NH1 2.84Å; D369-R442 IonicContact OD2-NH2 3.94Å; A437-R442 PolarHBondContact O-NE 2.96Å; A437-R442 VanDerWaalsContact O-NE 3.09Å; G438-R442 WeakPolarHBondContact O-CB 3.36Å; G438-R442 PolarHBondContact O-N 3.16Å; R442-T444 PolarHBondContact O-N 2.96Å; R442-S447 WeakPolarHBondContact CA-OG 3.34Å; R442-S447 VanDerWaalsContact O-CB 3.26Å; R442-S447 WeakPolarHBondContact O-CB 3.49Å; R442-S447 PolarHBondContact O-OG 3.29Å
443	Y	89.6	Confident	87.5	Confident	104 Å²	104	52.9 Å²	52.9	41%	0.408	26%	0.259	S	S	.	.	S	Bend	trans	-100.6	62.7	-176.1	-58.2	-59.9	0	0	0	110.2	R250 Y251 N441	R250-Y443 HydrophobicContact CB-CD1 4.45Å; R250-Y443 HydrophobicContact CG-CD1 3.85Å; R250-Y443 HydrophobicContact CG-CE1 4.37Å; R250-Y443 CarbonylContact O-C 3.07Å; R250-Y443 WeakPolarHBondContact O-CB 3.35Å; Y251-Y443 HydrophobicContact CD1-CD1 4.45Å; Y251-Y443 HydrophobicContact CD2-CD1 4.46Å; Y251-Y443 AromaticContact CE1-CD1 3.98Å; Y251-Y443 HydrophobicContact CE1-CD1 3.98Å; Y251-Y443 HydrophobicContact CE1-CE1 4.45Å; Y251-Y443 AromaticContact CE2-CD1 3.97Å; Y251-Y443 HydrophobicContact CE2-CD1 3.97Å; Y251-Y443 HydrophobicContact CE2-CE1 4.08Å; Y251-Y443 AromaticContact CZ-CD1 3.7Å; Y251-Y443 AromaticContact CZ-CE1 3.79Å; N441-Y443 VanDerWaalsContact C-N 3.3Å; N441-Y443 PolarHBondContact O-N 3.35Å
444	T	92	Very high	88.2	Confident	53 Å²	53	52.9 Å²	52.9	33%	0.325	26%	0.259	S	S	.	.	S	Bend	trans	-139	159.1	177.9	63.8	0	0	0	0	110.2	Y251 N441 R442 N446 S447 L448	Y251-T444 CarbonylContact O-C 3.59Å; N441-T444 WeakPolarHBondContact O-CG2 3.38Å; N441-T444 PolarHBondContact O-OG1 3.37Å; R442-T444 PolarHBondContact O-N 2.96Å; T444-N446 VanDerWaalsContact C-N 3.26Å; T444-N446 PolarHBondContact O-N 3.18Å; T444-S447 PolarHBondContact O-N 3.31Å; T444-S447 PolarHBondContact OG1-N 3.26Å; T444-L448 PolarHBondContact O-N 3.26Å
445	E	91.8	Very high	88.9	Confident	89 Å²	89	53 Å²	53	42%	0.416	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-34.3	179.9	-170.1	-177.3	137.7	0	0	111.8	Y251 T258 L448 R449	Y251-E445 VanDerWaalsContact O-CA 3.28Å; Y251-E445 WeakPolarHBondContact O-CA 3.27Å; Y251-E445 PolarHBondContact O-N 3.07Å; T258-E445 HydrophobicContact CG2-CG 4.19Å; E445-L448 WeakPolarHBondContact O-CB 3.43Å; E445-L448 PolarHBondContact O-N 3.07Å; E445-R449 WeakPolarHBondContact O-CG 3.14Å; E445-R449 PolarHBondContact O-N 2.85Å
446	N	92	Very high	89.8	Confident	103 Å²	103	47 Å²	47	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-64.6	-42.8	175.7	-171.5	65.8	0	0	0	111.9	T444 L448 R449 G450	T444-N446 VanDerWaalsContact C-N 3.26Å; T444-N446 PolarHBondContact O-N 3.18Å; N446-L448 VanDerWaalsContact C-N 3.33Å; N446-R449 PolarHBondContact O-N 2.62Å; N446-G450 PolarHBondContact O-N 3.24Å
447	S	92.8	Very high	90.6	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-36.3	175.3	-165.6	0	0	0	0	111.8	S436 N441 R442 T444 G450 V451	S436-S447 WeakPolarHBondContact O-CB 3.45Å; S436-S447 PolarHBondContact O-OG 3.37Å; N441-S447 WeakPolarHBondContact O-CB 3.25Å; R442-S447 WeakPolarHBondContact CA-OG 3.34Å; R442-S447 VanDerWaalsContact O-CB 3.26Å; R442-S447 WeakPolarHBondContact O-CB 3.49Å; R442-S447 PolarHBondContact O-OG 3.29Å; T444-S447 PolarHBondContact O-N 3.31Å; T444-S447 PolarHBondContact OG1-N 3.26Å; S447-G450 PolarHBondContact O-N 2.03Å; S447-V451 PolarHBondContact O-N 3.25Å
448	L	94.9	Very high	91.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-49.4	173.2	178.6	62.1	0	0	0	111.7	Y221 W249 Y251 A252 V259 T444 E445 N446 G450 V451 I452	Y221-L448 HydrophobicContact CD2-CD1 3.51Å; Y221-L448 HydrophobicContact CE2-CD1 3.75Å; Y221-L448 HydrophobicContact CG-CD1 4.31Å; W249-L448 HydrophobicContact CE3-CD2 4.34Å; W249-L448 HydrophobicContact CH2-CD1 3.6Å; W249-L448 HydrophobicContact CH2-CD2 3.57Å; W249-L448 HydrophobicContact CH2-CG 4.24Å; W249-L448 HydrophobicContact CZ2-CD1 4.06Å; W249-L448 HydrophobicContact CZ2-CD2 4.5Å; W249-L448 HydrophobicContact CZ3-CD1 4.39Å; W249-L448 HydrophobicContact CZ3-CD2 3.48Å; W249-L448 VanDerWaalsContact CZ3-CD2 3.48Å; Y251-L448 HydrophobicContact CD1-CB 4.07Å; Y251-L448 HydrophobicContact CD1-CD1 4.25Å; Y251-L448 HydrophobicContact CG-CB 4.46Å; Y251-L448 HydrophobicContact CG-CD1 4.18Å; A252-L448 HydrophobicContact CB-CD2 4.02Å; V259-L448 HydrophobicContact CG1-CD2 3.83Å; V259-L448 HydrophobicContact CG1-CG 4.4Å; V259-L448 HydrophobicContact CG2-CD2 3.98Å; T444-L448 PolarHBondContact O-N 3.26Å; E445-L448 WeakPolarHBondContact O-CB 3.43Å; E445-L448 PolarHBondContact O-N 3.07Å; N446-L448 VanDerWaalsContact C-N 3.33Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 3.15Å; L448-V451 HydrophobicContact CD1-CG1 4.46Å; L448-V451 VanDerWaalsContact O-CG1 3.26Å; L448-V451 WeakPolarHBondContact O-CG1 3.37Å; L448-V451 PolarHBondContact O-N 2.8Å; L448-I452 HydrophobicContact CD1-CD1 3.88Å; L448-I452 HydrophobicContact CD1-CG1 4.29Å; L448-I452 HydrophobicContact CG-CD1 3.85Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 2.8Å
449	R	94.9	Very high	92.7	Very high	72 Å²	72	44.8 Å²	44.8	27%	0.272	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-44.7	175.8	-70.4	168.4	69.1	177	4.2	111	W342 E346 E445 N446 I452 L453	W342-R449 HydrophobicContact CH2-CG 3.95Å; W342-R449 HydrophobicContact CZ3-CG 4.37Å; E346-R449 IonicContact OE1-CZ 3.76Å; E346-R449 VanDerWaalsContact OE1-CZ 3.24Å; E346-R449 IonicContact OE1-NE 2.7Å; E346-R449 PolarHBondContact OE1-NE 3.41Å; E346-R449 IonicContact OE1-NH2 2.73Å; E346-R449 PolarHBondContact OE1-NH2 3.3Å; E346-R449 IonicContact OE2-CZ 3.58Å; E346-R449 IonicContact OE2-NE 3.48Å; E346-R449 PolarHBondContact OE2-NE 3.19Å; E346-R449 IonicContact OE2-NH2 3.59Å; E346-R449 PolarHBondContact OE2-NH2 3.02Å; E445-R449 WeakPolarHBondContact O-CG 3.14Å; E445-R449 PolarHBondContact O-N 2.85Å; N446-R449 PolarHBondContact O-N 2.62Å; R449-I452 PolarHBondContact O-N 3.35Å; R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 3.18Å
450	G	95.4	Very high	93.7	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-52.2	176.7	0	0	0	0	0	113.3	N446 S447 L448 I452 L453 D454	N446-G450 PolarHBondContact O-N 3.24Å; S447-G450 PolarHBondContact O-N 2.03Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 3.15Å; G450-I452 VanDerWaalsContact C-N 3.33Å; G450-I452 PolarHBondContact O-N 2.86Å; G450-L453 PolarHBondContact O-N 3.23Å; G450-D454 PolarHBondContact O-N 3.26Å
451	V	96.3	Very high	94.7	Very high	24 Å²	24	33.6 Å²	33.6	15%	0.145	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-32	-180	69.7	0	0	0	0	112.8	Y221 S447 L448 I455 V472	Y221-V451 HydrophobicContact CD1-CG1 3.94Å; Y221-V451 HydrophobicContact CD1-CG2 4.23Å; Y221-V451 HydrophobicContact CG-CG1 4Å; S447-V451 PolarHBondContact O-N 3.25Å; L448-V451 HydrophobicContact CD1-CG1 4.46Å; L448-V451 VanDerWaalsContact O-CG1 3.26Å; L448-V451 WeakPolarHBondContact O-CG1 3.37Å; L448-V451 PolarHBondContact O-N 2.8Å; V451-I455 HydrophobicContact CG2-CD1 3.96Å; V451-I455 HydrophobicContact CG2-CG1 4.44Å; V451-I455 WeakPolarHBondContact O-CB 3.38Å; V451-I455 VanDerWaalsContact O-CG1 3.27Å; V451-I455 WeakPolarHBondContact O-CG1 3.27Å; V451-I455 PolarHBondContact O-N 3.04Å; V451-V472 HydrophobicContact CG2-CG2 4.2Å
452	I	97.9	Very high	95.5	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.062	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-45.1	173.7	-70.5	168	0	0	0	110.5	Y221 V259 F260 L343 L448 R449 G450 I455 H456	Y221-I452 HydrophobicContact CE1-CG1 4.46Å; Y221-I452 HydrophobicContact CE2-CG1 4.4Å; V259-I452 HydrophobicContact CB-CD1 4.09Å; V259-I452 HydrophobicContact CG1-CD1 4.14Å; V259-I452 HydrophobicContact CG2-CD1 4.09Å; F260-I452 HydrophobicContact CE2-CD1 4.08Å; F260-I452 HydrophobicContact CZ-CD1 3.74Å; F260-I452 HydrophobicContact CZ-CG1 4.1Å; F260-I452 HydrophobicContact CZ-CG2 4.47Å; L343-I452 HydrophobicContact CD1-CG2 4.41Å; L343-I452 HydrophobicContact CD2-CG2 4.2Å; L448-I452 HydrophobicContact CD1-CD1 3.88Å; L448-I452 HydrophobicContact CD1-CG1 4.29Å; L448-I452 HydrophobicContact CG-CD1 3.85Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 2.8Å; R449-I452 PolarHBondContact O-N 3.35Å; G450-I452 VanDerWaalsContact C-N 3.33Å; G450-I452 PolarHBondContact O-N 2.86Å; I452-I455 PolarHBondContact O-N 3.14Å; I452-H456 WeakPolarHBondContact O-CB 3.39Å; I452-H456 PolarHBondContact O-N 3.07Å
453	L	97.8	Very high	96.2	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-44.4	176.8	-70.8	174.4	0	0	0	111.8	E346 I347 A350 I433 R449 G450 I455 H456 F457	E346-L453 HydrophobicContact CG-CD1 4.47Å; I347-L453 HydrophobicContact CB-CD2 4.42Å; I347-L453 HydrophobicContact CG1-CD2 3.68Å; A350-L453 HydrophobicContact CB-CD1 4.48Å; A350-L453 HydrophobicContact CB-CD2 4.21Å; I433-L453 HydrophobicContact CD1-CB 4.2Å; I433-L453 HydrophobicContact CD1-CD1 4.28Å; R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 3.18Å; G450-L453 PolarHBondContact O-N 3.23Å; L453-I455 PolarHBondContact O-N 3.27Å; L453-H456 WeakPolarHBondContact O-CB 3.34Å; L453-H456 PolarHBondContact O-N 2.7Å; L453-F457 HydrophobicContact CB-CE2 4.37Å; L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 WeakPolarHBondContact O-CD2 3.33Å; L453-F457 PolarHBondContact O-N 3.29Å
454	D	97.9	Very high	96.7	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-48.7	176	-86.3	-21.3	0	0	0	111.9	Y406 A408 I433 G450 H456 F457 L458	Y406-D454 PolarHBondContact OH-OD1 3.38Å; A408-D454 HydrophobicContact CB-CB 3.93Å; I433-D454 VanDerWaalsContact CG2-OD2 3.26Å; I433-D454 WeakPolarHBondContact CG2-OD2 3.43Å; G450-D454 PolarHBondContact O-N 3.26Å; D454-H456 VanDerWaalsContact C-N 3.3Å; D454-H456 PolarHBondContact O-N 2.68Å; D454-F457 PolarHBondContact O-N 3.41Å; D454-L458 WeakPolarHBondContact O-CB 3.04Å; D454-L458 WeakPolarHBondContact O-CD1 3.38Å; D454-L458 WeakPolarHBondContact O-CG 2.96Å; D454-L458 PolarHBondContact O-N 3.11Å
455	I	98.6	Very high	97	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-41.4	177.4	-73.9	169.7	0	0	0	110.9	Y221 V451 I452 L453 S459 V472 V475 A476 I479	Y221-I455 HydrophobicContact CD1-CD1 3.81Å; Y221-I455 HydrophobicContact CE1-CD1 3.58Å; V451-I455 HydrophobicContact CG2-CD1 3.96Å; V451-I455 HydrophobicContact CG2-CG1 4.44Å; V451-I455 WeakPolarHBondContact O-CB 3.38Å; V451-I455 VanDerWaalsContact O-CG1 3.27Å; V451-I455 WeakPolarHBondContact O-CG1 3.27Å; V451-I455 PolarHBondContact O-N 3.04Å; I452-I455 PolarHBondContact O-N 3.14Å; L453-I455 PolarHBondContact O-N 3.27Å; I455-S459 WeakPolarHBondContact O-CB 3.31Å; I455-S459 PolarHBondContact O-N 3.35Å; I455-S459 PolarHBondContact O-OG 3.42Å; I455-V472 HydrophobicContact CD1-CG1 4.12Å; I455-V472 HydrophobicContact CG1-CG1 3.69Å; I455-V475 HydrophobicContact CD1-CB 4.41Å; I455-V475 HydrophobicContact CD1-CG1 4.18Å; I455-V475 HydrophobicContact CG2-CB 4.49Å; I455-V475 HydrophobicContact CG2-CG1 3.74Å; I455-A476 HydrophobicContact CG2-CB 4.33Å; I455-I479 HydrophobicContact CG2-CD1 3.47Å; I455-I479 VanDerWaalsContact CG2-CD1 3.47Å
456	H	98.5	Very high	97.3	Very high	44 Å²	44	19 Å²	19	20%	0.204	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-55.9	177	176	81.1	0	0	0	111	I347 I452 L453 D454 L458 S459 Q460	I347-H456 VanDerWaalsContact CG2-NE2 3.3Å; I347-H456 WeakPolarHBondContact CG2-NE2 3.37Å; I452-H456 WeakPolarHBondContact O-CB 3.39Å; I452-H456 PolarHBondContact O-N 3.07Å; L453-H456 WeakPolarHBondContact O-CB 3.34Å; L453-H456 PolarHBondContact O-N 2.7Å; D454-H456 VanDerWaalsContact C-N 3.3Å; D454-H456 PolarHBondContact O-N 2.68Å; H456-L458 PolarHBondContact O-N 2.62Å; H456-S459 PolarHBondContact O-N 3.34Å; H456-S459 VanDerWaalsContact O-N 3.12Å; H456-S459 PolarHBondContact O-OG 3.07Å; H456-Q460 VanDerWaalsContact O-CG 3.3Å; H456-Q460 WeakPolarHBondContact O-CG 3.33Å; H456-Q460 PolarHBondContact O-N 3.24Å
457	F	98.6	Very high	97.5	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-68.3	-32.3	-177.5	-69.5	-58.5	0	0	0	113.5	A350 T351 L354 F356 Y406 L453 D454 S459 Q460 A461	A350-F457 HydrophobicContact CB-CE2 4.06Å; A350-F457 HydrophobicContact CB-CZ 3.91Å; T351-F457 WeakPolarHBondContact OG1-CE1 3.49Å; L354-F457 HydrophobicContact CD1-CD2 4.2Å; L354-F457 HydrophobicContact CD1-CE2 3.71Å; L354-F457 HydrophobicContact CD1-CZ 4.11Å; F356-F457 HydrophobicContact CB-CD1 4.3Å; F356-F457 HydrophobicContact CB-CE1 4.17Å; F356-F457 HydrophobicContact CD1-CD1 4.26Å; F356-F457 HydrophobicContact CD2-CB 4.31Å; F356-F457 AromaticContact CD2-CD1 3.61Å; F356-F457 HydrophobicContact CD2-CD1 3.61Å; F356-F457 HydrophobicContact CD2-CE1 4.32Å; F356-F457 HydrophobicContact CD2-CG 4.22Å; F356-F457 HydrophobicContact CE2-CB 3.99Å; F356-F457 AromaticContact CE2-CD1 3.91Å; F356-F457 HydrophobicContact CE2-CD1 3.91Å; F356-F457 HydrophobicContact CE2-CG 4.34Å; F356-F457 AromaticContact CG-CD1 3.8Å; F356-F457 HydrophobicContact CG-CD1 3.8Å; F356-F457 HydrophobicContact CG-CE1 4.12Å; F356-F457 HydrophobicContact CZ-CD1 4.35Å; Y406-F457 HydrophobicContact CD1-CB 3.73Å; Y406-F457 HydrophobicContact CD2-CB 3.71Å; Y406-F457 HydrophobicContact CD2-CG 4.21Å; Y406-F457 HydrophobicContact CE1-CB 3.5Å; Y406-F457 HydrophobicContact CE1-CG 4.48Å; Y406-F457 HydrophobicContact CE2-CB 3.46Å; Y406-F457 VanDerWaalsContact CE2-CB 3.46Å; Y406-F457 AromaticContact CE2-CD2 3.68Å; Y406-F457 HydrophobicContact CE2-CD2 3.68Å; Y406-F457 AromaticContact CE2-CG 3.71Å; Y406-F457 HydrophobicContact CE2-CG 3.71Å; Y406-F457 HydrophobicContact CG-CB 3.84Å; Y406-F457 AromaticContact CZ-CD2 3.7Å; Y406-F457 AromaticContact CZ-CG 3.9Å; L453-F457 HydrophobicContact CB-CE2 4.37Å; L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 WeakPolarHBondContact O-CD2 3.33Å; L453-F457 PolarHBondContact O-N 3.29Å; D454-F457 PolarHBondContact O-N 3.41Å; F457-S459 VanDerWaalsContact C-N 3.35Å; F457-Q460 PolarHBondContact O-N 3.34Å; F457-A461 PolarHBondContact O-N 3.21Å
458	L	98.8	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-42.7	170.1	-72.3	169.8	0	0	0	111.5	H364 Y406 A408 D454 H456 Q460 A461 L464 A476	H364-L458 HydrophobicContact CB-CD1 3.91Å; H364-L458 HydrophobicContact CB-CD2 4.19Å; Y406-L458 HydrophobicContact CD1-CD2 4Å; Y406-L458 HydrophobicContact CD1-CG 4.11Å; Y406-L458 HydrophobicContact CE1-CG 4.21Å; A408-L458 HydrophobicContact CB-CD1 3.77Å; A408-L458 HydrophobicContact CB-CD2 4.09Å; A408-L458 HydrophobicContact CB-CG 4.02Å; D454-L458 WeakPolarHBondContact O-CB 3.04Å; D454-L458 WeakPolarHBondContact O-CD1 3.38Å; D454-L458 WeakPolarHBondContact O-CG 2.96Å; D454-L458 PolarHBondContact O-N 3.11Å; H456-L458 PolarHBondContact O-N 2.62Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 3.31Å; L458-A461 WeakPolarHBondContact O-CB 3.45Å; L458-A461 PolarHBondContact O-N 3.26Å; L458-L464 HydrophobicContact CB-CD1 4.1Å; L458-L464 HydrophobicContact CD2-CD1 3.84Å; L458-L464 HydrophobicContact CG-CD1 4.47Å; L458-A476 HydrophobicContact CB-CB 3.64Å; L458-A476 HydrophobicContact CD1-CB 4.32Å
459	S	98.7	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.8	-29.3	-179.8	73.3	0	0	0	0	113.4	I455 H456 F457 A461 A476 I479 L483	I455-S459 WeakPolarHBondContact O-CB 3.31Å; I455-S459 PolarHBondContact O-N 3.35Å; I455-S459 PolarHBondContact O-OG 3.42Å; H456-S459 PolarHBondContact O-N 3.34Å; H456-S459 VanDerWaalsContact O-N 3.12Å; H456-S459 PolarHBondContact O-OG 3.07Å; F457-S459 VanDerWaalsContact C-N 3.35Å; S459-A461 VanDerWaalsContact C-N 3.31Å; S459-A476 VanDerWaalsContact CB-O 3.22Å; S459-A476 WeakPolarHBondContact CB-O 3.26Å; S459-I479 WeakPolarHBondContact OG-CG2 3.19Å; S459-L483 VanDerWaalsContact O-CD1 3.31Å; S459-L483 WeakPolarHBondContact O-CD1 3.28Å
460	Q	98.6	Very high	97.7	Very high	56 Å²	56	11.6 Å²	11.6	26%	0.262	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.1	178.6	-66.1	-70.1	-24.4	0	0	113.1	F356 H358 H456 F457 L458 L483	F356-Q460 HydrophobicContact CE1-CB 3.96Å; F356-Q460 HydrophobicContact CZ-CB 3.9Å; H358-Q460 PolarHBondContact CE1-O 2.93Å; H456-Q460 VanDerWaalsContact O-CG 3.3Å; H456-Q460 WeakPolarHBondContact O-CG 3.33Å; H456-Q460 PolarHBondContact O-N 3.24Å; F457-Q460 PolarHBondContact O-N 3.34Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 3.31Å; Q460-L483 HydrophobicContact CG-CD1 4.36Å
461	A	98.5	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-73.1	156.6	-178	0	0	0	0	0	112.9	V360 F457 L458 S459 F463 M480	V360-A461 HydrophobicContact CG1-CB 4.45Å; F457-A461 PolarHBondContact O-N 3.21Å; L458-A461 WeakPolarHBondContact O-CB 3.45Å; L458-A461 PolarHBondContact O-N 3.26Å; S459-A461 VanDerWaalsContact C-N 3.31Å; A461-F463 PolarHBondContact O-N 3.18Å; A461-M480 WeakPolarHBondContact O-CE 3.46Å
462	D	98.4	Very high	97.7	Very high	30 Å²	30	13.1 Å²	13.1	16%	0.16	7%	0.067	C	C	.	.	S	Bend	trans	-73.2	-12.2	179.6	-58	-77.2	0	0	0	113.5	H358 P359 V360	H358-D462 IonicContact CE1-OD1 2.81Å; H358-D462 IonicContact CG-OD2 3.88Å; H358-D462 VanDerWaalsContact ND1-CG 3.31Å; H358-D462 IonicContact ND1-OD1 3.86Å; H358-D462 PolarHBondContact ND1-OD1 3.37Å; H358-D462 IonicContact ND1-OD2 3.38Å; H358-D462 PolarHBondContact ND1-OD2 3.26Å; P359-D462 WeakPolarHBondContact CA-OD2 3.4Å; V360-D462 PolarHBondContact N-OD2 3.22Å; V360-D462 PolarHBondContact O-N 3.37Å
463	F	98.8	Very high	97.7	Very high	18 Å²	18	12.6 Å²	12.6	8%	0.079	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	151.7	176.4	-160.5	-109	0	0	0	109.9	I361 G362 R390 A461 V465 A489 Y490 F491 H492	I361-F463 HydrophobicContact CG1-CB 4.25Å; I361-F463 HydrophobicContact CG2-CB 4.35Å; G362-F463 PolarHBondContact N-O 3.45Å; R390-F463 HydrophobicContact CB-CD1 4.14Å; R390-F463 HydrophobicContact CB-CE1 4.44Å; R390-F463 HydrophobicContact CB-CG 4.5Å; R390-F463 HydrophobicContact CG-CB 3.76Å; R390-F463 HydrophobicContact CG-CD1 3.78Å; R390-F463 HydrophobicContact CG-CD2 4.16Å; R390-F463 HydrophobicContact CG-CE1 4.37Å; R390-F463 HydrophobicContact CG-CG 3.65Å; R390-F463 VanDerWaalsContact NE-CD2 3.34Å; A461-F463 PolarHBondContact O-N 3.18Å; F463-V465 HydrophobicContact CD1-CG2 3.9Å; F463-V465 HydrophobicContact CE1-CG2 4.03Å; F463-A489 WeakPolarHBondContact CE2-O 3.48Å; F463-Y490 WeakPolarHBondContact CD2-O 3.46Å; F463-F491 VanDerWaalsContact CE2-N 3.29Å; F463-F491 WeakPolarHBondContact CZ-O 3.2Å; F463-H492 HydrophobicContact CE1-CB 3.9Å; F463-H492 HydrophobicContact CZ-CB 4.19Å
464	L	98.9	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.5	-177.9	-175.7	60.7	0	0	0	111.8	G362 L458 C473 A476 M480 Y490 F491 H492	G362-L464 CarbonylContact O-C 3.56Å; G362-L464 WeakPolarHBondContact O-CA 3.28Å; L458-L464 HydrophobicContact CB-CD1 4.1Å; L458-L464 HydrophobicContact CD2-CD1 3.84Å; L458-L464 HydrophobicContact CG-CD1 4.47Å; L464-C473 WeakPolarHBondContact CD2-SG 3.41Å; L464-A476 HydrophobicContact CD2-CB 4.31Å; L464-M480 HydrophobicContact CB-CE 3.98Å; L464-Y490 PolarHBondContact N-O 2.8Å; L464-F491 HydrophobicContact CB-CB 4.29Å; L464-F491 CarbonylContact O-C 3.51Å; L464-F491 WeakPolarHBondContact O-CA 3.41Å; L464-H492 PolarHBondContact O-N 2.83Å
465	V	98.8	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	173.5	-172.5	0	0	0	0	109.3	I361 G362 V363 H364 Y383 H386 V387 F463 H492	I361-V465 HydrophobicContact CG2-CG2 4.07Å; G362-V465 PolarHBondContact O-N 3.34Å; V363-V465 VanDerWaalsContact CA-O 3.3Å; V363-V465 WeakPolarHBondContact CA-O 2.98Å; V363-V465 HydrophobicContact CG2-CB 4.41Å; H364-V465 PolarHBondContact N-O 2.56Å; Y383-V465 HydrophobicContact CD1-CG1 4.08Å; H386-V465 HydrophobicContact CB-CG1 4.13Å; H386-V465 HydrophobicContact CB-CG2 4.18Å; V387-V465 HydrophobicContact CG2-CB 4.37Å; V387-V465 HydrophobicContact CG2-CG2 3.97Å; F463-V465 HydrophobicContact CD1-CG2 3.9Å; F463-V465 HydrophobicContact CE1-CG2 4.03Å; V465-H492 WeakPolarHBondContact CA-O 3.5Å
466	C	98	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-166.7	-174.4	72.6	0	0	0	0	112.7	H364 F468 C473 H492 S493 L494	H364-C466 HydrophobicContact CB-CB 3.87Å; C466-F468 VanDerWaalsContact SG-CD1 3.54Å; C466-C473 HydrophobicContact CB-CB 3.63Å; C466-C473 WeakPolarHBondContact CB-SG 3.41Å; C466-C473 WeakPolarHBondContact SG-CB 2.96Å; C466-C473 CovalentContact SG-SG 1.99Å; C466-C473 PolarHBondContact SG-SG 3.04Å; C466-H492 PolarHBondContact N-O 3.05Å; C466-H492 VanDerWaalsContact N-O 3.08Å; C466-S493 CarbonylContact O-C 3.5Å; C466-S493 VanDerWaalsContact O-CA 3.28Å; C466-S493 WeakPolarHBondContact O-CA 3.23Å; C466-L494 PolarHBondContact O-N 3.31Å
467	T	96.4	Very high	97.9	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.018	5%	0.047	C	C	.	.			trans	-108.5	123.6	161.8	48.3	0	0	0	0	110.5	S469 S470 L494 D495	T467-S469 PolarHBondContact O-N 3.29Å; T467-S470 WeakPolarHBondContact O-CB 3.49Å; T467-S470 PolarHBondContact O-N 2.85Å; T467-S470 VanDerWaalsContact O-N 3.14Å; T467-L494 HydrophobicContact CG2-CB 4.09Å; T467-D495 VanDerWaalsContact C-OD1 3.31Å; T467-D495 WeakPolarHBondContact CA-OD1 3.38Å; T467-D495 VanDerWaalsContact CB-OD1 3.32Å; T467-D495 WeakPolarHBondContact CB-OD1 3.4Å; T467-D495 VanDerWaalsContact CB-OD2 3.24Å; T467-D495 WeakPolarHBondContact CB-OD2 3.39Å; T467-D495 WeakPolarHBondContact CG2-OD2 3.47Å
468	F	97.3	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5	174.9	-82.1	-8.5	0	0	0	113.6	C466 S470 C473 R474 Y477 F491 S493 D495 D496 Y499	C466-F468 VanDerWaalsContact SG-CD1 3.54Å; F468-S470 PolarHBondContact O-N 2.86Å; F468-C473 HydrophobicContact CD1-CB 4.29Å; F468-R474 HydrophobicContact CB-CG 4.29Å; F468-R474 HydrophobicContact CD1-CG 4.15Å; F468-R474 HydrophobicContact CG-CG 4.32Å; F468-R474 VanDerWaalsContact O-CD 3.25Å; F468-R474 WeakPolarHBondContact O-CD 3.07Å; F468-R474 WeakPolarHBondContact O-CG 3.23Å; F468-R474 PolarHBondContact O-NH1 3.25Å; F468-Y477 HydrophobicContact CE1-CD1 4.33Å; F468-Y477 HydrophobicContact CE1-CG 4.11Å; F468-Y477 HydrophobicContact CE2-CD1 4.32Å; F468-Y477 HydrophobicContact CE2-CE1 4.41Å; F468-Y477 AromaticContact CZ-CD1 3.69Å; F468-Y477 HydrophobicContact CZ-CD1 3.69Å; F468-Y477 HydrophobicContact CZ-CD2 4.08Å; F468-Y477 HydrophobicContact CZ-CE1 4.11Å; F468-Y477 HydrophobicContact CZ-CE2 4.48Å; F468-Y477 AromaticContact CZ-CG 3.67Å; F468-Y477 HydrophobicContact CZ-CG 3.67Å; F468-F491 HydrophobicContact CD2-CD2 4.21Å; F468-F491 AromaticContact CD2-CE2 3.95Å; F468-F491 HydrophobicContact CD2-CE2 3.95Å; F468-F491 HydrophobicContact CE1-CD2 4.23Å; F468-F491 HydrophobicContact CE1-CG 4.47Å; F468-F491 HydrophobicContact CE2-CD1 4.24Å; F468-F491 AromaticContact CE2-CD2 3.35Å; F468-F491 HydrophobicContact CE2-CD2 3.35Å; F468-F491 HydrophobicContact CE2-CE1 4.11Å; F468-F491 AromaticContact CE2-CE2 3.23Å; F468-F491 HydrophobicContact CE2-CE2 3.23Å; F468-F491 AromaticContact CE2-CG 3.88Å; F468-F491 HydrophobicContact CE2-CG 3.88Å; F468-F491 AromaticContact CE2-CZ 3.64Å; F468-F491 HydrophobicContact CE2-CZ 3.64Å; F468-F491 HydrophobicContact CZ-CB 4.03Å; F468-F491 HydrophobicContact CZ-CD1 4.05Å; F468-F491 AromaticContact CZ-CD2 3.36Å; F468-F491 HydrophobicContact CZ-CD2 3.36Å; F468-F491 HydrophobicContact CZ-CE1 4.38Å; F468-F491 AromaticContact CZ-CE2 3.79Å; F468-F491 HydrophobicContact CZ-CE2 3.79Å; F468-F491 AromaticContact CZ-CG 3.53Å; F468-F491 HydrophobicContact CZ-CG 3.53Å; F468-F491 HydrophobicContact CZ-CZ 4.27Å; F468-S493 WeakPolarHBondContact CB-OG 3.12Å; F468-S493 PolarHBondContact N-OG 2.9Å; F468-D495 PolarHBondContact N-OD1 3.48Å; F468-D496 HydrophobicContact CB-CB 4.17Å; F468-D496 WeakPolarHBondContact CB-O 3.42Å; F468-Y499 WeakPolarHBondContact O-CE1 3.3Å
469	S	94.1	Very high	97.9	Very high	12 Å²	12	10 Å²	10	8%	0.084	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.6	160.4	60.4	0	0	0	0	112.1	T467 R474 D495 D496 Y499	T467-S469 PolarHBondContact O-N 3.29Å; S469-R474 VanDerWaalsContact C-NH1 3.28Å; S469-R474 PolarHBondContact O-NH1 3.18Å; S469-D495 WeakPolarHBondContact CB-OD2 3.33Å; S469-D495 PolarHBondContact N-OD1 3.28Å; S469-D495 PolarHBondContact OG-OD2 3.17Å; S469-D496 WeakPolarHBondContact CA-OD2 3.44Å; S469-D496 WeakPolarHBondContact CB-OD2 3.24Å; S469-Y499 PolarHBondContact O-OH 3.41Å
470	S	95.5	Very high	97.9	Very high	8 Å²	8	10 Å²	10	6%	0.056	5%	0.051	C	C	.	.	S	Bend	trans	-77.9	122.4	177.4	-179.1	0	0	0	0	112.7	H364 T467 F468 V472 C473 R474	H364-S470 PolarHBondContact NE2-OG 2.94Å; T467-S470 WeakPolarHBondContact O-CB 3.49Å; T467-S470 PolarHBondContact O-N 2.85Å; T467-S470 VanDerWaalsContact O-N 3.14Å; F468-S470 PolarHBondContact O-N 2.86Å; S470-V472 PolarHBondContact O-N 2.99Å; S470-V472 PolarHBondContact OG-N 2.8Å; S470-C473 PolarHBondContact O-N 2.95Å; S470-R474 VanDerWaalsContact C-NH1 3.35Å; S470-R474 PolarHBondContact O-N 3.48Å; S470-R474 PolarHBondContact O-NH1 2.87Å
471	Q	96	Very high	97.9	Very high	42 Å²	42	7.4 Å²	7.4	20%	0.196	4%	0.039	C	C	.	.	H	α-helix	trans	-62.3	-29.5	175.7	-58.1	80.2	19.4	0	0	112.1	C223 C473 R474 V475	C223-Q471 HydrophobicContact CB-CG 4.11Å; Q471-C473 VanDerWaalsContact C-N 3.34Å; Q471-C473 PolarHBondContact O-N 3.21Å; Q471-R474 PolarHBondContact O-N 2.9Å; Q471-V475 VanDerWaalsContact O-CG2 3.28Å; Q471-V475 WeakPolarHBondContact O-CG2 3.36Å; Q471-V475 PolarHBondContact O-N 2.9Å
472	V	96.6	Very high	97.9	Very high	18 Å²	18	9 Å²	9	11%	0.109	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-45.8	178	173.9	0	0	0	0	110.3	V451 I455 S470 V475 A476	V451-V472 HydrophobicContact CG2-CG2 4.2Å; I455-V472 HydrophobicContact CD1-CG1 4.12Å; I455-V472 HydrophobicContact CG1-CG1 3.69Å; S470-V472 PolarHBondContact O-N 2.99Å; S470-V472 PolarHBondContact OG-N 2.8Å; V472-V475 PolarHBondContact O-N 2.85Å; V472-A476 PolarHBondContact O-N 2.98Å; V472-A476 VanDerWaalsContact O-N 3.1Å
473	C	98	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67	-42.3	178.2	-170.1	0	0	0	0	111.9	L464 C466 F468 S470 Q471 V475 A476 Y477	L464-C473 WeakPolarHBondContact CD2-SG 3.41Å; C466-C473 HydrophobicContact CB-CB 3.63Å; C466-C473 WeakPolarHBondContact CB-SG 3.41Å; C466-C473 WeakPolarHBondContact SG-CB 2.96Å; C466-C473 CovalentContact SG-SG 1.99Å; C466-C473 PolarHBondContact SG-SG 3.04Å; F468-C473 HydrophobicContact CD1-CB 4.29Å; S470-C473 PolarHBondContact O-N 2.95Å; Q471-C473 VanDerWaalsContact C-N 3.34Å; Q471-C473 PolarHBondContact O-N 3.21Å; C473-V475 VanDerWaalsContact C-N 3.32Å; C473-V475 PolarHBondContact O-N 3.24Å; C473-A476 PolarHBondContact O-N 3.47Å; C473-Y477 WeakPolarHBondContact O-CB 3.49Å; C473-Y477 PolarHBondContact O-N 3.1Å
474	R	98.7	Very high	97.8	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-40.1	178.5	-62.4	-160.9	-58.4	-83.9	18.4	112.4	F468 S469 S470 Q471 Y477 E478 Y498 Y499	F468-R474 HydrophobicContact CB-CG 4.29Å; F468-R474 HydrophobicContact CD1-CG 4.15Å; F468-R474 HydrophobicContact CG-CG 4.32Å; F468-R474 VanDerWaalsContact O-CD 3.25Å; F468-R474 WeakPolarHBondContact O-CD 3.07Å; F468-R474 WeakPolarHBondContact O-CG 3.23Å; F468-R474 PolarHBondContact O-NH1 3.25Å; S469-R474 VanDerWaalsContact C-NH1 3.28Å; S469-R474 PolarHBondContact O-NH1 3.18Å; S470-R474 VanDerWaalsContact C-NH1 3.35Å; S470-R474 PolarHBondContact O-N 3.48Å; S470-R474 PolarHBondContact O-NH1 2.87Å; Q471-R474 PolarHBondContact O-N 2.9Å; R474-Y477 PolarHBondContact O-N 3.37Å; R474-E478 WeakPolarHBondContact O-CB 3.5Å; R474-E478 VanDerWaalsContact O-CD 3.29Å; R474-E478 WeakPolarHBondContact O-CG 3.16Å; R474-E478 PolarHBondContact O-N 3.05Å; R474-Y498 HydrophobicContact CB-CE2 4.43Å; R474-Y499 WeakPolarHBondContact CD-O 3.33Å; R474-Y499 VanDerWaalsContact CZ-CZ 3.43Å; R474-Y499 PolarHBondContact NE-O 2.92Å; R474-Y499 PolarHBondContact NH1-OH 3.39Å; R474-Y499 VanDerWaalsContact NH2-CE2 3.32Å; R474-Y499 VanDerWaalsContact NH2-CZ 3.33Å; R474-Y499 PolarHBondContact NH2-OH 2.81Å
475	V	98.8	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.3	-44.2	174.5	173.3	0	0	0	0	111.3	L225 I455 Q471 V472 C473 Y477 E478 I479	L225-V475 HydrophobicContact CD2-CG1 3.62Å; L225-V475 HydrophobicContact CD2-CG2 4.08Å; I455-V475 HydrophobicContact CD1-CB 4.41Å; I455-V475 HydrophobicContact CD1-CG1 4.18Å; I455-V475 HydrophobicContact CG2-CB 4.49Å; I455-V475 HydrophobicContact CG2-CG1 3.74Å; Q471-V475 VanDerWaalsContact O-CG2 3.28Å; Q471-V475 WeakPolarHBondContact O-CG2 3.36Å; Q471-V475 PolarHBondContact O-N 2.9Å; V472-V475 PolarHBondContact O-N 2.85Å; C473-V475 VanDerWaalsContact C-N 3.32Å; C473-V475 PolarHBondContact O-N 3.24Å; V475-Y477 VanDerWaalsContact C-N 3.32Å; V475-Y477 PolarHBondContact O-N 2.97Å; V475-E478 PolarHBondContact O-N 3.25Å; V475-I479 HydrophobicContact CG1-CD1 3.84Å; V475-I479 HydrophobicContact CG1-CG1 4.45Å; V475-I479 VanDerWaalsContact O-CG1 3.28Å; V475-I479 WeakPolarHBondContact O-CG1 3.19Å; V475-I479 PolarHBondContact O-N 2.92Å
476	A	98.8	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-42.4	176.4	0	0	0	0	0	111.8	I455 L458 S459 L464 V472 C473 I479 M480	I455-A476 HydrophobicContact CG2-CB 4.33Å; L458-A476 HydrophobicContact CB-CB 3.64Å; L458-A476 HydrophobicContact CD1-CB 4.32Å; S459-A476 VanDerWaalsContact CB-O 3.22Å; S459-A476 WeakPolarHBondContact CB-O 3.26Å; L464-A476 HydrophobicContact CD2-CB 4.31Å; V472-A476 PolarHBondContact O-N 2.98Å; V472-A476 VanDerWaalsContact O-N 3.1Å; C473-A476 PolarHBondContact O-N 3.47Å; A476-I479 PolarHBondContact O-N 3.02Å; A476-M480 WeakPolarHBondContact O-CB 3.17Å; A476-M480 PolarHBondContact O-N 2.91Å
477	Y	98.9	Very high	97.8	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-42.4	174.9	174.8	-117.1	0	0	0	112.4	V326 F468 C473 R474 V475 M480 Q481 S488 F491 Y498	V326-Y477 HydrophobicContact CB-CE1 4.2Å; V326-Y477 HydrophobicContact CG1-CE1 4.18Å; V326-Y477 HydrophobicContact CG2-CD1 3.95Å; V326-Y477 HydrophobicContact CG2-CE1 3.67Å; F468-Y477 HydrophobicContact CE1-CD1 4.33Å; F468-Y477 HydrophobicContact CE1-CG 4.11Å; F468-Y477 HydrophobicContact CE2-CD1 4.32Å; F468-Y477 HydrophobicContact CE2-CE1 4.41Å; F468-Y477 AromaticContact CZ-CD1 3.69Å; F468-Y477 HydrophobicContact CZ-CD1 3.69Å; F468-Y477 HydrophobicContact CZ-CD2 4.08Å; F468-Y477 HydrophobicContact CZ-CE1 4.11Å; F468-Y477 HydrophobicContact CZ-CE2 4.48Å; F468-Y477 AromaticContact CZ-CG 3.67Å; F468-Y477 HydrophobicContact CZ-CG 3.67Å; C473-Y477 WeakPolarHBondContact O-CB 3.49Å; C473-Y477 PolarHBondContact O-N 3.1Å; R474-Y477 PolarHBondContact O-N 3.37Å; V475-Y477 VanDerWaalsContact C-N 3.32Å; V475-Y477 PolarHBondContact O-N 2.97Å; Y477-M480 WeakPolarHBondContact O-CB 3.24Å; Y477-M480 PolarHBondContact O-N 3.44Å; Y477-Q481 VanDerWaalsContact CD2-NE2 3.35Å; Y477-Q481 WeakPolarHBondContact O-CG 3.34Å; Y477-Q481 PolarHBondContact O-N 2.85Å; Y477-Q481 PolarHBondContact O-NE2 3.31Å; Y477-S488 WeakPolarHBondContact OH-CA 3.29Å; Y477-S488 PolarHBondContact OH-O 3.06Å; Y477-F491 HydrophobicContact CD2-CB 4.29Å; Y477-F491 HydrophobicContact CD2-CD1 4.14Å; Y477-F491 HydrophobicContact CD2-CG 4.44Å; Y477-F491 HydrophobicContact CE2-CB 4.42Å; Y477-F491 AromaticContact CE2-CD1 3.49Å; Y477-F491 HydrophobicContact CE2-CD1 3.49Å; Y477-F491 VanDerWaalsContact CE2-CD1 3.49Å; Y477-F491 HydrophobicContact CE2-CE1 4.13Å; Y477-F491 HydrophobicContact CE2-CG 4.22Å; Y477-F491 AromaticContact CZ-CD1 3.84Å; Y477-F491 AromaticContact CZ-CE1 3.99Å; Y477-Y498 AromaticContact CD1-CD2 3.68Å; Y477-Y498 HydrophobicContact CD1-CD2 3.68Å; Y477-Y498 HydrophobicContact CD1-CE2 4.1Å; Y477-Y498 HydrophobicContact CD1-CG 4.41Å; Y477-Y498 AromaticContact CE1-CD2 3.75Å; Y477-Y498 HydrophobicContact CE1-CD2 3.75Å; Y477-Y498 HydrophobicContact CE1-CE2 4.36Å; Y477-Y498 HydrophobicContact CE1-CG 4.02Å
478	E	98.9	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-46.1	175.1	-74.3	155.2	-174.6	0	0	111.3	H226 V326 V329 S330 V333 R474 V475 M480 Q481 Y498	H226-E478 IonicContact CD2-OE1 2.81Å; H226-E478 IonicContact CD2-OE2 3.57Å; H226-E478 PolarHBondContact CD2-OE2 3.35Å; H226-E478 IonicContact CE1-OE1 3.88Å; H226-E478 IonicContact CE1-OE2 3.09Å; H226-E478 VanDerWaalsContact NE2-CD 3.28Å; H226-E478 IonicContact NE2-OE1 2.83Å; H226-E478 PolarHBondContact NE2-OE1 2.81Å; H226-E478 IonicContact NE2-OE2 2.77Å; H226-E478 PolarHBondContact NE2-OE2 2.92Å; V326-E478 HydrophobicContact CG2-CB 4.46Å; V326-E478 HydrophobicContact CG2-CG 3.74Å; V329-E478 HydrophobicContact CG1-CG 4.14Å; S330-E478 WeakPolarHBondContact CB-O 3.48Å; V333-E478 HydrophobicContact CG2-CB 4.41Å; R474-E478 WeakPolarHBondContact O-CB 3.5Å; R474-E478 VanDerWaalsContact O-CD 3.29Å; R474-E478 WeakPolarHBondContact O-CG 3.16Å; R474-E478 PolarHBondContact O-N 3.05Å; V475-E478 PolarHBondContact O-N 3.25Å; E478-M480 VanDerWaalsContact C-N 3.3Å; E478-M480 PolarHBondContact O-N 2.98Å; E478-Q481 WeakPolarHBondContact O-CB 3.4Å; E478-Q481 PolarHBondContact O-N 2.92Å; E478-Y498 HydrophobicContact CG-CE2 4.05Å; E478-Y498 WeakPolarHBondContact OE1-CE2 3.26Å; E478-Y498 PolarHBondContact OE1-OH 3.13Å
479	I	98.9	Very high	97.9	Very high	17 Å²	17	21 Å²	21	9%	0.087	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-40	177.3	-64.7	165.2	0	0	0	110.8	V333 I337 I455 S459 V475 A476 Q481 T482	V333-I479 HydrophobicContact CG1-CD1 4.26Å; V333-I479 HydrophobicContact CG1-CG1 3.6Å; I337-I479 HydrophobicContact CD1-CD1 3.45Å; I337-I479 VanDerWaalsContact CD1-CD1 3.45Å; I337-I479 HydrophobicContact CD1-CG1 3.61Å; I337-I479 HydrophobicContact CD1-CG2 4.3Å; I455-I479 HydrophobicContact CG2-CD1 3.47Å; I455-I479 VanDerWaalsContact CG2-CD1 3.47Å; S459-I479 WeakPolarHBondContact OG-CG2 3.19Å; V475-I479 HydrophobicContact CG1-CD1 3.84Å; V475-I479 HydrophobicContact CG1-CG1 4.45Å; V475-I479 VanDerWaalsContact O-CG1 3.28Å; V475-I479 WeakPolarHBondContact O-CG1 3.19Å; V475-I479 PolarHBondContact O-N 2.92Å; A476-I479 PolarHBondContact O-N 3.02Å; I479-Q481 PolarHBondContact O-N 3.41Å; I479-Q481 VanDerWaalsContact O-N 3.16Å; I479-T482 WeakPolarHBondContact O-CB 3.27Å; I479-T482 PolarHBondContact O-N 3.39Å; I479-T482 PolarHBondContact O-OG1 2.97Å
480	M	98.8	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-33	177.4	-177	-176.6	-73.5	0	0	112.4	A461 L464 A476 Y477 E478 T482 L483 A487	A461-M480 WeakPolarHBondContact O-CE 3.46Å; L464-M480 HydrophobicContact CB-CE 3.98Å; A476-M480 WeakPolarHBondContact O-CB 3.17Å; A476-M480 PolarHBondContact O-N 2.91Å; Y477-M480 WeakPolarHBondContact O-CB 3.24Å; Y477-M480 PolarHBondContact O-N 3.44Å; E478-M480 VanDerWaalsContact C-N 3.3Å; E478-M480 PolarHBondContact O-N 2.98Å; M480-T482 PolarHBondContact O-N 2.94Å; M480-T482 VanDerWaalsContact O-N 3.09Å; M480-L483 PolarHBondContact O-N 3.08Å; M480-L483 VanDerWaalsContact O-N 3.08Å; M480-A487 HydrophobicContact CG-CB 3.8Å; M480-A487 HydrophobicContact SD-CB 4.18Å
481	Q	98.8	Very high	98.3	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.3	177.3	-49.5	-45.1	-58.9	0	0	113.6	H321 V326 Y477 E478 I479 A487 S488	H321-Q481 PolarHBondContact CE1-OE1 3.43Å; H321-Q481 PolarHBondContact NE2-OE1 3.44Å; H321-Q481 VanDerWaalsContact NE2-OE1 3.1Å; V326-Q481 HydrophobicContact CG1-CG 3.96Å; V326-Q481 HydrophobicContact CG2-CG 3.87Å; Y477-Q481 VanDerWaalsContact CD2-NE2 3.35Å; Y477-Q481 WeakPolarHBondContact O-CG 3.34Å; Y477-Q481 PolarHBondContact O-N 2.85Å; Y477-Q481 PolarHBondContact O-NE2 3.31Å; E478-Q481 WeakPolarHBondContact O-CB 3.4Å; E478-Q481 PolarHBondContact O-N 2.92Å; I479-Q481 PolarHBondContact O-N 3.41Å; I479-Q481 VanDerWaalsContact O-N 3.16Å; Q481-A487 PolarHBondContact NE2-O 3.04Å; Q481-A487 PolarHBondContact OE1-O 3.02Å; Q481-S488 VanDerWaalsContact OE1-N 3.1Å
482	T	98.3	Very high	98.4	Very high	33 Å²	33	24.5 Å²	24.5	20%	0.202	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7.3	178.9	74.6	0	0	0	0	112.9	K334 I479 M480	K334-T482 HydrophobicContact CB-CG2 4.07Å; K334-T482 HydrophobicContact CD-CG2 4.07Å; K334-T482 HydrophobicContact CG-CG2 4.39Å; I479-T482 WeakPolarHBondContact O-CB 3.27Å; I479-T482 PolarHBondContact O-N 3.39Å; I479-T482 PolarHBondContact O-OG1 2.97Å; M480-T482 PolarHBondContact O-N 2.94Å; M480-T482 VanDerWaalsContact O-N 3.09Å
483	L	98.1	Very high	98.5	Very high	68 Å²	68	23.6 Å²	23.6	36%	0.356	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-17.8	-176.7	-55.8	178.3	0	0	0	112.5	S459 Q460 M480	S459-L483 VanDerWaalsContact O-CD1 3.31Å; S459-L483 WeakPolarHBondContact O-CD1 3.28Å; Q460-L483 HydrophobicContact CG-CD1 4.36Å; M480-L483 PolarHBondContact O-N 3.08Å; M480-L483 VanDerWaalsContact O-N 3.08Å
484	H	97.6	Very high	98.4	Very high	60 Å²	60	24.9 Å²	24.9	28%	0.278	14%	0.138	S	C	.	.	S	Bend	trans	-131.7	158.4	-179.4	-58.3	-72	0	0	0	111	D486 A487	H484-D486 VanDerWaalsContact C-N 3.33Å; H484-D486 PolarHBondContact O-N 3.36Å; H484-A487 HydrophobicContact CB-CB 3.94Å
485	P	97.7	Very high	98.1	Very high	38 Å²	38	26.3 Å²	26.3	25%	0.247	15%	0.146	C	C	.	.	S	Bend	trans	-63.8	-38.6	177.3	-21	32.9	0	0	0	113.1	R181 E182 A185	R181-P485 HydrophobicContact CB-CB 4.36Å; R181-P485 HydrophobicContact CG-CB 3.77Å; E182-P485 HydrophobicContact CB-CG 3.87Å; E182-P485 HydrophobicContact CG-CG 4.21Å; A185-P485 HydrophobicContact CB-CB 4.05Å
486	D	98.6	Very high	98	Very high	47 Å²	47	29 Å²	29	25%	0.251	16%	0.16	S	C	.	.			trans	-151.9	103.6	174.7	-173.6	6.1	0	0	0	109	V320 H321 G322 H484 S488	V320-D486 WeakPolarHBondContact O-CB 3.45Å; H321-D486 IonicContact CD2-OD1 2.71Å; H321-D486 IonicContact CE1-OD1 3.7Å; H321-D486 IonicContact CG-OD1 3.4Å; H321-D486 IonicContact ND1-OD1 3.95Å; H321-D486 IonicContact NE2-OD1 3.01Å; G322-D486 VanDerWaalsContact N-CG 3.35Å; G322-D486 PolarHBondContact N-OD1 2.87Å; G322-D486 VanDerWaalsContact N-OD1 3.16Å; G322-D486 PolarHBondContact N-OD2 3.09Å; H484-D486 VanDerWaalsContact C-N 3.33Å; H484-D486 PolarHBondContact O-N 3.36Å; D486-S488 VanDerWaalsContact OD1-CB 3.31Å; D486-S488 WeakPolarHBondContact OD1-CB 3.3Å; D486-S488 PolarHBondContact OD1-N 2.87Å; D486-S488 VanDerWaalsContact OD1-N 3.15Å; D486-S488 PolarHBondContact OD1-OG 2.82Å; D486-S488 VanDerWaalsContact OD1-OG 3.13Å
487	A	98.5	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.			trans	-110.1	19.3	175.3	0	0	0	0	0	111.6	M480 Q481 H484 A489 Y490	M480-A487 HydrophobicContact CG-CB 3.8Å; M480-A487 HydrophobicContact SD-CB 4.18Å; Q481-A487 PolarHBondContact NE2-O 3.04Å; Q481-A487 PolarHBondContact OE1-O 3.02Å; H484-A487 HydrophobicContact CB-CB 3.94Å; A487-A489 PolarHBondContact O-N 3.16Å; A487-A489 VanDerWaalsContact O-N 3.1Å; A487-Y490 HydrophobicContact CB-CD2 3.77Å; A487-Y490 HydrophobicContact CB-CE2 4.38Å; A487-Y490 HydrophobicContact CB-CG 4.09Å; A487-Y490 WeakPolarHBondContact O-CB 3.31Å; A487-Y490 PolarHBondContact O-N 3.02Å
488	S	98.5	Very high	97.9	Very high	20 Å²	20	30.8 Å²	30.8	14%	0.14	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.5	-173.8	78.6	0	0	0	0	113	G322 Y477 Q481 D486 F491	G322-S488 VanDerWaalsContact CA-OG 3.31Å; G322-S488 WeakPolarHBondContact CA-OG 3.39Å; Y477-S488 WeakPolarHBondContact OH-CA 3.29Å; Y477-S488 PolarHBondContact OH-O 3.06Å; Q481-S488 VanDerWaalsContact OE1-N 3.1Å; D486-S488 VanDerWaalsContact OD1-CB 3.31Å; D486-S488 WeakPolarHBondContact OD1-CB 3.3Å; D486-S488 PolarHBondContact OD1-N 2.87Å; D486-S488 VanDerWaalsContact OD1-N 3.15Å; D486-S488 PolarHBondContact OD1-OG 2.82Å; D486-S488 VanDerWaalsContact OD1-OG 3.13Å; S488-F491 VanDerWaalsContact O-CE1 3.23Å; S488-F491 WeakPolarHBondContact O-CE1 3.35Å
489	A	98.4	Very high	97.9	Very high	71 Å²	71	33.9 Å²	33.9	59%	0.587	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	8.8	178	0	0	0	0	0	113	F463 A487 F491	F463-A489 WeakPolarHBondContact CE2-O 3.48Å; A487-A489 PolarHBondContact O-N 3.16Å; A487-A489 VanDerWaalsContact O-N 3.1Å; A489-F491 PolarHBondContact O-N 3.24Å; A489-F491 VanDerWaalsContact O-N 3.14Å
490	Y	98.4	Very high	97.8	Very high	55 Å²	55	33.3 Å²	33.3	22%	0.216	18%	0.178	C	C	.	.	S	Bend	trans	-89.2	40	-174.6	-70.4	6.7	0	0	0	112.5	F463 L464 A487	F463-Y490 WeakPolarHBondContact CD2-O 3.46Å; L464-Y490 PolarHBondContact N-O 2.8Å; A487-Y490 HydrophobicContact CB-CD2 3.77Å; A487-Y490 HydrophobicContact CB-CE2 4.38Å; A487-Y490 HydrophobicContact CB-CG 4.09Å; A487-Y490 WeakPolarHBondContact O-CB 3.31Å; A487-Y490 PolarHBondContact O-N 3.02Å
491	F	98.7	Very high	97.7	Very high	38 Å²	38	34.9 Å²	34.9	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.7	177.1	77.5	-84.9	0	0	0	112.8	F463 L464 F468 Y477 S488 A489 W537	F463-F491 VanDerWaalsContact CE2-N 3.29Å; F463-F491 WeakPolarHBondContact CZ-O 3.2Å; L464-F491 HydrophobicContact CB-CB 4.29Å; L464-F491 CarbonylContact O-C 3.51Å; L464-F491 WeakPolarHBondContact O-CA 3.41Å; F468-F491 HydrophobicContact CD2-CD2 4.21Å; F468-F491 AromaticContact CD2-CE2 3.95Å; F468-F491 HydrophobicContact CD2-CE2 3.95Å; F468-F491 HydrophobicContact CE1-CD2 4.23Å; F468-F491 HydrophobicContact CE1-CG 4.47Å; F468-F491 HydrophobicContact CE2-CD1 4.24Å; F468-F491 AromaticContact CE2-CD2 3.35Å; F468-F491 HydrophobicContact CE2-CD2 3.35Å; F468-F491 HydrophobicContact CE2-CE1 4.11Å; F468-F491 AromaticContact CE2-CE2 3.23Å; F468-F491 HydrophobicContact CE2-CE2 3.23Å; F468-F491 AromaticContact CE2-CG 3.88Å; F468-F491 HydrophobicContact CE2-CG 3.88Å; F468-F491 AromaticContact CE2-CZ 3.64Å; F468-F491 HydrophobicContact CE2-CZ 3.64Å; F468-F491 HydrophobicContact CZ-CB 4.03Å; F468-F491 HydrophobicContact CZ-CD1 4.05Å; F468-F491 AromaticContact CZ-CD2 3.36Å; F468-F491 HydrophobicContact CZ-CD2 3.36Å; F468-F491 HydrophobicContact CZ-CE1 4.38Å; F468-F491 AromaticContact CZ-CE2 3.79Å; F468-F491 HydrophobicContact CZ-CE2 3.79Å; F468-F491 AromaticContact CZ-CG 3.53Å; F468-F491 HydrophobicContact CZ-CG 3.53Å; F468-F491 HydrophobicContact CZ-CZ 4.27Å; Y477-F491 HydrophobicContact CD2-CB 4.29Å; Y477-F491 HydrophobicContact CD2-CD1 4.14Å; Y477-F491 HydrophobicContact CD2-CG 4.44Å; Y477-F491 HydrophobicContact CE2-CB 4.42Å; Y477-F491 AromaticContact CE2-CD1 3.49Å; Y477-F491 HydrophobicContact CE2-CD1 3.49Å; Y477-F491 VanDerWaalsContact CE2-CD1 3.49Å; Y477-F491 HydrophobicContact CE2-CE1 4.13Å; Y477-F491 HydrophobicContact CE2-CG 4.22Å; Y477-F491 AromaticContact CZ-CD1 3.84Å; Y477-F491 AromaticContact CZ-CE1 3.99Å; S488-F491 VanDerWaalsContact O-CE1 3.23Å; S488-F491 WeakPolarHBondContact O-CE1 3.35Å; A489-F491 PolarHBondContact O-N 3.24Å; A489-F491 VanDerWaalsContact O-N 3.14Å; F491-W537 HydrophobicContact CE2-CH2 4.25Å
492	H	98.6	Very high	97.5	Very high	41 Å²	41	36.5 Å²	36.5	19%	0.19	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.6	158	-166.1	93.9	0	0	0	108.6	H386 F463 L464 V465 C466	H386-H492 HydrophobicContact CB-CB 4.27Å; H386-H492 AromaticContact CD2-CD2 3.36Å; H386-H492 PolarHBondContact CD2-CD2 2.99Å; H386-H492 AromaticContact CD2-NE2 3.66Å; H386-H492 AromaticContact CE1-CD2 3.74Å; H386-H492 AromaticContact CE1-CE1 3.55Å; H386-H492 AromaticContact CE1-NE2 3.25Å; H386-H492 PolarHBondContact CE1-NE2 3.35Å; H386-H492 AromaticContact CG-CD2 3.55Å; H386-H492 AromaticContact CG-CG 3.77Å; H386-H492 AromaticContact CG-NE2 3.89Å; H386-H492 AromaticContact ND1-CD2 3.81Å; H386-H492 AromaticContact ND1-CE1 3.72Å; H386-H492 AromaticContact ND1-CG 3.96Å; H386-H492 AromaticContact ND1-ND1 3.9Å; H386-H492 AromaticContact ND1-NE2 3.67Å; H386-H492 AromaticContact NE2-CD2 3.5Å; H386-H492 AromaticContact NE2-NE2 3.25Å; H386-H492 PolarHBondContact NE2-NE2 3.29Å; F463-H492 HydrophobicContact CE1-CB 3.9Å; F463-H492 HydrophobicContact CZ-CB 4.19Å; L464-H492 PolarHBondContact O-N 2.83Å; V465-H492 WeakPolarHBondContact CA-O 3.5Å; C466-H492 PolarHBondContact N-O 3.05Å; C466-H492 VanDerWaalsContact N-O 3.08Å
493	S	97.9	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	176.3	179.4	0	0	0	0	108.9	C466 F468 D495 D496 W537	C466-S493 CarbonylContact O-C 3.5Å; C466-S493 VanDerWaalsContact O-CA 3.28Å; C466-S493 WeakPolarHBondContact O-CA 3.23Å; F468-S493 WeakPolarHBondContact CB-OG 3.12Å; F468-S493 PolarHBondContact N-OG 2.9Å; S493-D495 PolarHBondContact O-N 3.48Å; S493-D495 PolarHBondContact OG-N 3.29Å; S493-D495 PolarHBondContact OG-OD1 3.23Å; S493-D496 VanDerWaalsContact CB-O 3.22Å; S493-D496 WeakPolarHBondContact CB-O 3.34Å; S493-D496 PolarHBondContact OG-O 2.93Å; S493-W537 PolarHBondContact O-NE1 3.43Å; S493-W537 VanDerWaalsContact O-NE1 3.11Å
494	L	96.6	Very high	97.3	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.136	21%	0.209	C	C	.	.	S	Bend	trans	-76.9	-11.9	176.8	-60	-176.1	0	0	0	113.3	H378 E382 Y383 C466 T467	H378-L494 HydrophobicContact CB-CD1 3.95Å; E382-L494 HydrophobicContact CB-CD1 4.08Å; Y383-L494 HydrophobicContact CD1-CD1 3.72Å; Y383-L494 HydrophobicContact CD1-CG 4.43Å; Y383-L494 HydrophobicContact CD2-CD1 3.78Å; Y383-L494 HydrophobicContact CE1-CD1 3.54Å; Y383-L494 HydrophobicContact CE1-CG 4.33Å; Y383-L494 HydrophobicContact CE2-CD1 3.6Å; Y383-L494 HydrophobicContact CG-CD1 3.83Å; Y383-L494 VanDerWaalsContact CZ-CD1 3.47Å; C466-L494 PolarHBondContact O-N 3.31Å; T467-L494 HydrophobicContact CG2-CB 4.09Å
495	D	93.4	Very high	97.3	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	22%	0.219	C	C	.	.	S	Bend	trans	-134.1	-100.3	-176.1	58	8	0	0	0	112.7	T467 F468 S469 S493 W537	T467-D495 VanDerWaalsContact C-OD1 3.31Å; T467-D495 WeakPolarHBondContact CA-OD1 3.38Å; T467-D495 VanDerWaalsContact CB-OD1 3.32Å; T467-D495 WeakPolarHBondContact CB-OD1 3.4Å; T467-D495 VanDerWaalsContact CB-OD2 3.24Å; T467-D495 WeakPolarHBondContact CB-OD2 3.39Å; T467-D495 WeakPolarHBondContact CG2-OD2 3.47Å; F468-D495 PolarHBondContact N-OD1 3.48Å; S469-D495 WeakPolarHBondContact CB-OD2 3.33Å; S469-D495 PolarHBondContact N-OD1 3.28Å; S469-D495 PolarHBondContact OG-OD2 3.17Å; S493-D495 PolarHBondContact O-N 3.48Å; S493-D495 PolarHBondContact OG-N 3.29Å; S493-D495 PolarHBondContact OG-OD1 3.23Å; D495-W537 PolarHBondContact O-NE1 3.01Å
496	D	95.4	Very high	97.3	Very high	57 Å²	57	36.2 Å²	36.2	31%	0.305	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-69.7	154.8	-172.2	-72.8	-41	0	0	0	111.5	F468 S469 S493 Y499	F468-D496 HydrophobicContact CB-CB 4.17Å; F468-D496 WeakPolarHBondContact CB-O 3.42Å; S469-D496 WeakPolarHBondContact CA-OD2 3.44Å; S469-D496 WeakPolarHBondContact CB-OD2 3.24Å; S493-D496 VanDerWaalsContact CB-O 3.22Å; S493-D496 WeakPolarHBondContact CB-O 3.34Å; S493-D496 PolarHBondContact OG-O 2.93Å; D496-Y499 HydrophobicContact CB-CD1 4.14Å; D496-Y499 HydrophobicContact CB-CE1 3.97Å; D496-Y499 WeakPolarHBondContact OD2-CE1 3.34Å
497	I	97.1	Very high	97.3	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.144	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.1	171.3	158.3	59.9	174.9	0	0	0	109.9	Y499 V532 N535 W537	I497-Y499 PolarHBondContact O-N 2.92Å; I497-V532 HydrophobicContact CD1-CG1 3.99Å; I497-V532 HydrophobicContact CD1-CG2 3.88Å; I497-N535 HydrophobicContact CG2-CB 3.55Å; I497-W537 HydrophobicContact CG2-CH2 4.1Å; I497-W537 HydrophobicContact CG2-CZ2 4.06Å
498	Y	98.4	Very high	97.3	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.043	21%	0.21	C	C	.	.	S	Bend	trans	-60.4	134.2	174.2	176.8	-102.4	0	0	0	110.6	L307 V326 R474 Y477 E478	L307-Y498 HydrophobicContact CD2-CD1 4.34Å; L307-Y498 HydrophobicContact CD2-CE1 3.91Å; V326-Y498 HydrophobicContact CB-CD1 4.24Å; V326-Y498 HydrophobicContact CB-CE1 3.85Å; V326-Y498 HydrophobicContact CG2-CD2 4.47Å; V326-Y498 HydrophobicContact CG2-CE1 4.14Å; V326-Y498 HydrophobicContact CG2-CE2 3.95Å; R474-Y498 HydrophobicContact CB-CE2 4.43Å; Y477-Y498 AromaticContact CD1-CD2 3.68Å; Y477-Y498 HydrophobicContact CD1-CD2 3.68Å; Y477-Y498 HydrophobicContact CD1-CE2 4.1Å; Y477-Y498 HydrophobicContact CD1-CG 4.41Å; Y477-Y498 AromaticContact CE1-CD2 3.75Å; Y477-Y498 HydrophobicContact CE1-CD2 3.75Å; Y477-Y498 HydrophobicContact CE1-CE2 4.36Å; Y477-Y498 HydrophobicContact CE1-CG 4.02Å; E478-Y498 HydrophobicContact CG-CE2 4.05Å; E478-Y498 WeakPolarHBondContact OE1-CE2 3.26Å; E478-Y498 PolarHBondContact OE1-OH 3.13Å
499	Y	98.3	Very high	97.3	Very high	64 Å²	64	36.6 Å²	36.6	25%	0.251	21%	0.214	S	C	.	.			trans	-150.3	154.6	171.8	74.2	-86	0	0	0	111	F468 S469 R474 D496 I497	F468-Y499 WeakPolarHBondContact O-CE1 3.3Å; S469-Y499 PolarHBondContact O-OH 3.41Å; R474-Y499 WeakPolarHBondContact CD-O 3.33Å; R474-Y499 VanDerWaalsContact CZ-CZ 3.43Å; R474-Y499 PolarHBondContact NE-O 2.92Å; R474-Y499 PolarHBondContact NH1-OH 3.39Å; R474-Y499 VanDerWaalsContact NH2-CE2 3.32Å; R474-Y499 VanDerWaalsContact NH2-CZ 3.33Å; R474-Y499 PolarHBondContact NH2-OH 2.81Å; D496-Y499 HydrophobicContact CB-CD1 4.14Å; D496-Y499 HydrophobicContact CB-CE1 3.97Å; D496-Y499 WeakPolarHBondContact OD2-CE1 3.34Å; I497-Y499 PolarHBondContact O-N 2.92Å
500	F	98.3	Very high	97.3	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	19%	0.187	C	C	.	.			trans	-109.2	129.4	171.1	-168.8	-82.1	0	0	0	110.1	H226 V229 P306 V329 G502 Q503	H226-F500 HydrophobicContact CB-CE2 4.06Å; H226-F500 HydrophobicContact CB-CZ 4.03Å; H226-F500 AromaticContact CD2-CE2 3.72Å; H226-F500 AromaticContact CG-CE2 3.99Å; H226-F500 VanDerWaalsContact O-CZ 3.3Å; H226-F500 WeakPolarHBondContact O-CZ 3.28Å; V229-F500 HydrophobicContact CB-CE2 4.35Å; V229-F500 HydrophobicContact CB-CZ 4.32Å; V229-F500 HydrophobicContact CG1-CE2 3.94Å; V229-F500 HydrophobicContact CG1-CZ 4.11Å; P306-F500 HydrophobicContact CB-CB 3.84Å; P306-F500 HydrophobicContact CB-CD1 4.24Å; P306-F500 HydrophobicContact CB-CG 4.06Å; P306-F500 HydrophobicContact CG-CB 4.1Å; P306-F500 HydrophobicContact CG-CD1 3.68Å; P306-F500 HydrophobicContact CG-CD2 4.21Å; P306-F500 HydrophobicContact CG-CE1 4.1Å; P306-F500 HydrophobicContact CG-CG 3.73Å; V329-F500 HydrophobicContact CG1-CD2 3.95Å; V329-F500 HydrophobicContact CG1-CE2 3.94Å; V329-F500 HydrophobicContact CG2-CD2 4.24Å; F500-G502 PolarHBondContact O-N 2.79Å; F500-Q503 HydrophobicContact CB-CB 4.38Å; F500-Q503 WeakPolarHBondContact O-CB 3.47Å; F500-Q503 WeakPolarHBondContact O-CG 3.35Å; F500-Q503 PolarHBondContact O-N 3.09Å; F500-Q503 PolarHBondContact O-OE1 2.68Å
501	G	96.7	Very high	97.3	Very high	34 Å²	34	33.7 Å²	33.7	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	120.6	-177.2	0	0	0	0	0	112
502	G	94.5	Very high	97.3	Very high	35 Å²	35	38.2 Å²	38.2	36%	0.361	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	16.6	-176.4	0	0	0	0	0	114.5	R301 F500	R301-G502 PolarHBondContact NH1-O 2.81Å; R301-G502 PolarHBondContact NH2-O 3.05Å; F500-G502 PolarHBondContact O-N 2.79Å
503	Q	96.8	Very high	97.3	Very high	41 Å²	41	38 Å²	38	19%	0.192	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-58.6	161.9	170.3	64.8	-178.7	45.1	0	0	113.4	P306 L307 F500	P306-Q503 HydrophobicContact CB-CB 4.28Å; P306-Q503 CarbonylContact O-C 3.6Å; P306-Q503 VanDerWaalsContact O-CA 3.26Å; P306-Q503 WeakPolarHBondContact O-CA 3.41Å; P306-Q503 VanDerWaalsContact O-CB 3.31Å; P306-Q503 WeakPolarHBondContact O-CB 3.2Å; L307-Q503 HydrophobicContact CG-CB 4.46Å; F500-Q503 HydrophobicContact CB-CB 4.38Å; F500-Q503 WeakPolarHBondContact O-CB 3.47Å; F500-Q503 WeakPolarHBondContact O-CG 3.35Å; F500-Q503 PolarHBondContact O-N 3.09Å; F500-Q503 PolarHBondContact O-OE1 2.68Å
504	N	95.8	Very high	97.3	Very high	62 Å²	62	38.3 Å²	38.3	33%	0.332	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-70.1	168.4	164.2	-67.9	-29.5	0	0	0	110.8	R301 P306 H506	R301-N504 PolarHBondContact NH2-OD1 3.04Å; P306-N504 PolarHBondContact O-N 3.1Å; N504-H506 PolarHBondContact O-N 2.54Å; N504-H506 VanDerWaalsContact O-N 3.17Å
505	A	96.4	Very high	97.4	Very high	57 Å²	57	43.9 Å²	43.9	47%	0.471	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-55.6	121.6	-177.7	0	0	0	0	0	112.3	N507	A505-N507 PolarHBondContact O-N 3.13Å; A505-N507 PolarHBondContact O-ND2 2.63Å
506	H	98.1	Very high	97.6	Very high	34 Å²	34	44.6 Å²	44.6	16%	0.157	25%	0.247	C	C	.	.			trans	-76.6	114.9	172.6	-169.3	170.1	0	0	0	108.9	L307 N504 G531 V532 E561	L307-H506 HydrophobicContact CD1-CB 4.11Å; N504-H506 PolarHBondContact O-N 2.54Å; N504-H506 VanDerWaalsContact O-N 3.17Å; H506-G531 WeakPolarHBondContact O-CA 3.28Å; H506-V532 HydrophobicContact CB-CG1 3.89Å; H506-V532 VanDerWaalsContact CG-CG1 3.42Å; H506-V532 PolarHBondContact O-N 2.96Å; H506-E561 IonicContact CD2-OE2 3.23Å; H506-E561 IonicContact CE1-OE2 3.88Å; H506-E561 IonicContact NE2-OE1 3.25Å; H506-E561 IonicContact NE2-OE2 3.12Å; H506-E561 PolarHBondContact NE2-OE2 3.2Å
507	N	98.3	Very high	97.7	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.5	-177.3	-63.3	-50.8	0	0	0	111.4	A505 V529 I530 R546 K562	A505-N507 PolarHBondContact O-N 3.13Å; A505-N507 PolarHBondContact O-ND2 2.63Å; N507-V529 HydrophobicContact CB-CG1 3.93Å; N507-I530 CarbonylContact C-O 3.51Å; N507-I530 VanDerWaalsContact CA-O 3.32Å; N507-I530 WeakPolarHBondContact CA-O 3.34Å; N507-R546 VanDerWaalsContact OD1-CZ 3.27Å; N507-R546 PolarHBondContact OD1-NE 3.32Å; N507-R546 PolarHBondContact OD1-NH2 3.18Å; N507-K562 HydrophobicContact CB-CB 4.08Å; N507-K562 HydrophobicContact CB-CD 4.02Å; N507-K562 WeakPolarHBondContact O-CB 3.27Å; N507-K562 PolarHBondContact O-N 3.34Å
508	Q	98.6	Very high	97.7	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.065	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	164.3	169.2	-65.6	171.8	-32.2	0	0	109.1	V529 I530 V532 Y554 V559 K560 E561	Q508-V529 WeakPolarHBondContact O-CA 3.37Å; Q508-I530 HydrophobicContact CB-CB 4.49Å; Q508-I530 PolarHBondContact N-O 2.77Å; Q508-I530 PolarHBondContact O-N 3.09Å; Q508-V532 HydrophobicContact CG-CG1 4.4Å; Q508-Y554 PolarHBondContact OE1-OH 3.15Å; Q508-V559 HydrophobicContact CB-CB 4.06Å; Q508-V559 HydrophobicContact CB-CG2 4.45Å; Q508-K560 CarbonylContact C-O 3.56Å; Q508-K560 VanDerWaalsContact CA-O 3.24Å; Q508-K560 WeakPolarHBondContact CA-O 3.49Å; Q508-K560 WeakPolarHBondContact CB-O 3.48Å; Q508-E561 PolarHBondContact NE2-OE1 3.09Å
509	I	98.7	Very high	97.6	Very high	44 Å²	44	58.2 Å²	58.2	23%	0.226	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125	175.8	-56.3	178.4	0	0	0	108	I511 V559 K560 K562	I509-I511 PolarHBondContact O-N 3.36Å; I509-V559 CarbonylContact O-C 3.57Å; I509-V559 WeakPolarHBondContact O-CA 3.43Å; I509-K560 HydrophobicContact CB-CG 4.13Å; I509-K560 PolarHBondContact N-O 2.82Å; I509-K560 PolarHBondContact O-N 3.47Å; I509-K562 HydrophobicContact CD1-CB 4.36Å; I509-K562 HydrophobicContact CD1-CD 4.38Å; I509-K562 HydrophobicContact CD1-CG 4.16Å; I509-K562 HydrophobicContact CG1-CB 4.06Å; I509-K562 HydrophobicContact CG1-CD 4.31Å; I509-K562 HydrophobicContact CG1-CG 4.27Å
510	A	98.7	Very high	97.5	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	128.6	171.5	0	0	0	0	0	110.1	M524 E525 P526 G527 D528	A510-M524 HydrophobicContact CB-CB 4.14Å; A510-M524 HydrophobicContact CB-SD 4.37Å; A510-E525 WeakPolarHBondContact CB-O 3.44Å; A510-P526 CarbonylContact O-C 3.5Å; A510-P526 WeakPolarHBondContact O-CA 3.29Å; A510-G527 PolarHBondContact O-N 2.6Å; A510-D528 HydrophobicContact CB-CB 4.3Å; A510-D528 PolarHBondContact N-O 2.83Å
511	I	98.6	Very high	97.5	Very high	62 Å²	62	60.8 Å²	60.8	32%	0.318	34%	0.338	S	S	.	.			trans	-108.2	-21.6	177.6	54.7	167.9	0	0	0	112.4	I509 K558 K560	I509-I511 PolarHBondContact O-N 3.36Å; I511-K558 VanDerWaalsContact CG1-C 3.5Å; I511-K558 WeakPolarHBondContact CG1-O 3.39Å; I511-K558 PolarHBondContact N-O 2.5Å; I511-K560 HydrophobicContact CG2-CB 4.1Å; I511-K560 HydrophobicContact CG2-CD 3.66Å; I511-K560 HydrophobicContact CG2-CG 3.66Å
512	Y	98.4	Very high	97.6	Very high	134 Å²	134	59.2 Å²	59.2	53%	0.525	32%	0.322	S	S	.	.	S	Bend	trans	-128.9	144.6	174.7	-59.2	-59.2	0	0	0	110.5	Y557 K558	Y512-Y557 HydrophobicContact CD2-CD2 4.45Å; Y512-Y557 HydrophobicContact CD2-CE2 4.33Å; Y512-K558 HydrophobicContact CD2-CG 4.37Å; Y512-K558 PolarHBondContact N-O 3.12Å
513	A	98.4	Very high	97.8	Very high	36 Å²	36	59 Å²	59	30%	0.298	31%	0.314	S	S	.	.			trans	-63.9	149.2	175.2	0	0	0	0	0	111.6	M524 K558	A513-M524 CarbonylContact C-O 3.52Å; A513-M524 VanDerWaalsContact CA-O 3.22Å; A513-M524 WeakPolarHBondContact CA-O 3.38Å; A513-K558 PolarHBondContact O-NZ 2.93Å
514	H	98.5	Very high	97.9	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.032	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-137.7	122.3	174.2	-179.7	37.3	0	0	0	111	E521 I522 P523 M524 P555 K558	H514-E521 IonicContact CE1-OE2 3.19Å; H514-E521 PolarHBondContact CE1-OE2 3Å; H514-E521 IonicContact NE2-OE2 3.39Å; H514-E521 PolarHBondContact NE2-OE2 2.99Å; H514-I522 PolarHBondContact CD2-O 2.73Å; H514-P523 VanDerWaalsContact O-CA 3.31Å; H514-P523 WeakPolarHBondContact O-CA 3.28Å; H514-M524 HydrophobicContact CB-CB 4.11Å; H514-M524 HydrophobicContact CB-CE 3.69Å; H514-M524 HydrophobicContact CB-CG 4.39Å; H514-M524 PolarHBondContact N-O 3.46Å; H514-M524 PolarHBondContact O-N 3.24Å; H514-M524 VanDerWaalsContact O-N 3.08Å; H514-P555 VanDerWaalsContact CD2-CD 3.4Å; H514-P555 WeakPolarHBondContact CD2-CD 3.17Å; H514-P555 VanDerWaalsContact NE2-CD 3.35Å; H514-P555 WeakPolarHBondContact NE2-CD 3.48Å; H514-K558 HydrophobicContact CB-CD 3.97Å
515	H	98.1	Very high	98	Very high	142 Å²	142	58.5 Å²	58.5	66%	0.657	31%	0.31	S	S	*	.			trans	-97.2	120.1	168.5	-63.8	82.4	0	0	0	108.1	R517	H515-R517 PolarHBondContact O-N 3.02Å
516	P	97.6	Very high	98.1	Very high	50 Å²	50	59.5 Å²	59.5	33%	0.325	31%	0.312	S	S	.	.			trans	-55.7	132.6	177.2	-29.5	38.2	0	0	0	111.7	E521 P523	P516-E521 HydrophobicContact CB-CB 3.72Å; P516-E521 HydrophobicContact CG-CB 4.37Å; P516-P523 HydrophobicContact CG-CB 3.99Å; P516-P523 HydrophobicContact CG-CG 4.36Å
517	R	97.4	Very high	98.1	Very high	217 Å²	217	60.3 Å²	60.3	82%	0.819	33%	0.329	S	S	*	.	S	Bend	trans	-91.1	-30.1	170.8	-62.8	-178.4	-179.9	180	1.6	112	H515 E521	H515-R517 PolarHBondContact O-N 3.02Å; R517-E521 PolarHBondContact N-OE1 2.79Å; R517-E521 PolarHBondContact N-OE2 2.96Å
518	T	96.9	Very high	98.1	Very high	72 Å²	72	60 Å²	60	44%	0.442	33%	0.328	S	S	.	.	S	Bend	trans	-120.7	168.8	178.4	64.6	0	0	0	0	111.2	D520 E521	T518-D520 PolarHBondContact O-N 3.28Å; T518-E521 WeakPolarHBondContact CB-OE1 3.37Å; T518-E521 PolarHBondContact N-OE1 2.04Å; T518-E521 PolarHBondContact O-N 2.77Å; T518-E521 PolarHBondContact OG1-OE1 3.49Å
519	A	96.4	Very high	98.1	Very high	93 Å²	93	61.7 Å²	61.7	77%	0.769	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.4	176.5	0	0	0	0	0	113	E521	A519-E521 VanDerWaalsContact C-N 3.3Å
520	D	97	Very high	98.1	Very high	115 Å²	115	59.6 Å²	59.6	62%	0.615	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.6	-178.5	-59.7	-35.2	0	0	0	112.5	T518 G552 L553	T518-D520 PolarHBondContact O-N 3.28Å; D520-G552 CarbonylContact O-C 3.58Å; D520-G552 VanDerWaalsContact O-CA 3.22Å; D520-G552 WeakPolarHBondContact O-CA 3.44Å; D520-L553 HydrophobicContact CB-CD1 4.4Å; D520-L553 PolarHBondContact O-N 2.98Å
521	E	98.3	Very high	98.1	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.037	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-89.5	153.2	-179.2	-74.2	162.4	-113.2	0	0	113	H514 P516 R517 T518 A519 Y540 L553	H514-E521 IonicContact CE1-OE2 3.19Å; H514-E521 PolarHBondContact CE1-OE2 3Å; H514-E521 IonicContact NE2-OE2 3.39Å; H514-E521 PolarHBondContact NE2-OE2 2.99Å; P516-E521 HydrophobicContact CB-CB 3.72Å; P516-E521 HydrophobicContact CG-CB 4.37Å; R517-E521 PolarHBondContact N-OE1 2.79Å; R517-E521 PolarHBondContact N-OE2 2.96Å; T518-E521 WeakPolarHBondContact CB-OE1 3.37Å; T518-E521 PolarHBondContact N-OE1 2.04Å; T518-E521 PolarHBondContact O-N 2.77Å; T518-E521 PolarHBondContact OG1-OE1 3.49Å; A519-E521 VanDerWaalsContact C-N 3.3Å; E521-Y540 HydrophobicContact CG-CE1 4.38Å; E521-L553 CarbonylContact C-O 3.58Å; E521-L553 WeakPolarHBondContact CA-O 3.07Å; E521-L553 HydrophobicContact CG-CB 4.26Å
522	I	98.2	Very high	98.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.32	C	S	.	.			trans	-107.9	140.1	176.2	56.5	173.3	0	0	0	112.6	H514 N545 R550 T551 G552 L553 Y554	H514-I522 PolarHBondContact CD2-O 2.73Å; I522-N545 HydrophobicContact CD1-CB 4.17Å; I522-R550 HydrophobicContact CG2-CB 4.17Å; I522-T551 VanDerWaalsContact CG2-C 3.44Å; I522-G552 VanDerWaalsContact CG2-N 3.31Å; I522-L553 WeakPolarHBondContact CG1-O 3.35Å; I522-L553 PolarHBondContact N-O 3.1Å; I522-Y554 HydrophobicContact CD1-CD1 3.76Å; I522-Y554 HydrophobicContact CD1-CG 4.45Å; I522-Y554 HydrophobicContact CG1-CD1 4.16Å
523	P	98.3	Very high	98	Very high	32 Å²	32	54.7 Å²	54.7	21%	0.208	32%	0.322	C	S	.	.			trans	-72.2	145.1	172.3	29.7	-31.8	0	0	0	110.7	H514 P516 N545 L548	H514-P523 VanDerWaalsContact O-CA 3.31Å; H514-P523 WeakPolarHBondContact O-CA 3.28Å; P516-P523 HydrophobicContact CG-CB 3.99Å; P516-P523 HydrophobicContact CG-CG 4.36Å; P523-N545 PolarHBondContact O-ND2 3.35Å; P523-L548 HydrophobicContact CG-CD1 3.65Å
524	M	98.6	Very high	97.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-138.2	139.1	177.3	-57.3	-170.7	-62.1	0	0	110.5	A510 A513 H514 I530 Y554 K558 V559	A510-M524 HydrophobicContact CB-CB 4.14Å; A510-M524 HydrophobicContact CB-SD 4.37Å; A513-M524 CarbonylContact C-O 3.52Å; A513-M524 VanDerWaalsContact CA-O 3.22Å; A513-M524 WeakPolarHBondContact CA-O 3.38Å; H514-M524 HydrophobicContact CB-CB 4.11Å; H514-M524 HydrophobicContact CB-CE 3.69Å; H514-M524 HydrophobicContact CB-CG 4.39Å; H514-M524 PolarHBondContact N-O 3.46Å; H514-M524 PolarHBondContact O-N 3.24Å; H514-M524 VanDerWaalsContact O-N 3.08Å; M524-I530 HydrophobicContact CG-CD1 4.08Å; M524-I530 HydrophobicContact SD-CD1 3.91Å; M524-I530 HydrophobicContact SD-CG1 3.97Å; M524-Y554 HydrophobicContact CE-CD2 4.1Å; M524-Y554 HydrophobicContact CE-CG 4.2Å; M524-Y554 HydrophobicContact SD-CD2 3.98Å; M524-Y554 HydrophobicContact SD-CG 3.87Å; M524-K558 HydrophobicContact CE-CB 3.83Å; M524-K558 HydrophobicContact CE-CD 4.28Å; M524-V559 HydrophobicContact CE-CG1 4.44Å; M524-V559 HydrophobicContact SD-CG1 4.17Å
525	E	98.5	Very high	97.7	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	32%	0.321	S	S	.	.			trans	-113.6	149.8	165.6	-69.1	-58.2	145.3	0	0	110.7	A510 G527 D528	A510-E525 WeakPolarHBondContact CB-O 3.44Å; E525-G527 PolarHBondContact O-N 3.45Å; E525-D528 PolarHBondContact N-OD2 3.07Å; E525-D528 VanDerWaalsContact O-CB 3.3Å; E525-D528 WeakPolarHBondContact O-CB 3.12Å; E525-D528 PolarHBondContact O-N 3.11Å
526	P	98.6	Very high	97.6	Very high	79 Å²	79	52.3 Å²	52.3	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.3	175.8	-25.9	35.1	0	0	0	111.9	A510	A510-P526 CarbonylContact O-C 3.5Å; A510-P526 WeakPolarHBondContact O-CA 3.29Å
527	G	98.3	Very high	97.5	Very high	51 Å²	51	54.3 Å²	54.3	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-11.7	-175.9	0	0	0	0	0	115	A510 E525	A510-G527 PolarHBondContact O-N 2.6Å; E525-G527 PolarHBondContact O-N 3.45Å
528	D	98.6	Very high	97.5	Very high	11 Å²	11	49 Å²	49	6%	0.059	30%	0.298	C	S	.	.			trans	-63	138.9	173.5	-73.7	-8	0	0	0	110.8	A510 E525 I530 N545 K547	A510-D528 HydrophobicContact CB-CB 4.3Å; A510-D528 PolarHBondContact N-O 2.83Å; E525-D528 PolarHBondContact N-OD2 3.07Å; E525-D528 VanDerWaalsContact O-CB 3.3Å; E525-D528 WeakPolarHBondContact O-CB 3.12Å; E525-D528 PolarHBondContact O-N 3.11Å; D528-I530 HydrophobicContact CB-CD1 4.37Å; D528-N545 PolarHBondContact OD2-ND2 3.02Å; D528-K547 WeakPolarHBondContact OD1-CD 2.93Å; D528-K547 IonicContact OD1-NZ 2.76Å; D528-K547 PolarHBondContact OD1-NZ 3.01Å
529	V	98.6	Very high	97.5	Very high	48 Å²	48	47.6 Å²	47.6	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.1	176.8	-177.5	0	0	0	0	109.6	N507 Q508 R546	N507-V529 HydrophobicContact CB-CG1 3.93Å; Q508-V529 WeakPolarHBondContact O-CA 3.37Å; V529-R546 HydrophobicContact CG1-CG 4.43Å; V529-R546 WeakPolarHBondContact O-CB 3.35Å; V529-R546 WeakPolarHBondContact O-CG 3.46Å; V529-R546 PolarHBondContact O-N 3.08Å
530	I	98.7	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.5	-179.9	-49.9	-55.2	0	0	0	108.7	N507 Q508 M524 D528 V532 I544 N545 Y554 V559	N507-I530 CarbonylContact C-O 3.51Å; N507-I530 VanDerWaalsContact CA-O 3.32Å; N507-I530 WeakPolarHBondContact CA-O 3.34Å; Q508-I530 HydrophobicContact CB-CB 4.49Å; Q508-I530 PolarHBondContact N-O 2.77Å; Q508-I530 PolarHBondContact O-N 3.09Å; M524-I530 HydrophobicContact CG-CD1 4.08Å; M524-I530 HydrophobicContact SD-CD1 3.91Å; M524-I530 HydrophobicContact SD-CG1 3.97Å; D528-I530 HydrophobicContact CB-CD1 4.37Å; I530-V532 PolarHBondContact O-N 2.81Å; I530-I544 CarbonylContact C-O 3.59Å; I530-I544 WeakPolarHBondContact CA-O 3.28Å; I530-N545 HydrophobicContact CD1-CB 3.82Å; I530-Y554 HydrophobicContact CG2-CD1 4.25Å; I530-Y554 HydrophobicContact CG2-CE1 3.63Å; I530-Y554 HydrophobicContact CG2-CE2 4.39Å; I530-V559 HydrophobicContact CG1-CG1 4.3Å
531	G	98.4	Very high	97.6	Very high	5 Å²	5	41 Å²	41	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.7	168.5	0	0	0	0	0	109.1	H506 G543 I544	H506-G531 WeakPolarHBondContact O-CA 3.28Å; G531-G543 CarbonylContact O-C 3.59Å; G531-G543 WeakPolarHBondContact O-CA 3.43Å; G531-I544 PolarHBondContact N-O 3.22Å; G531-I544 PolarHBondContact O-N 2.75Å
532	V	98.1	Very high	97.6	Very high	20 Å²	20	45.4 Å²	45.4	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139	-178.4	61.1	0	0	0	0	110.4	I497 H506 Q508 I530 Y554	I497-V532 HydrophobicContact CD1-CG1 3.99Å; I497-V532 HydrophobicContact CD1-CG2 3.88Å; H506-V532 HydrophobicContact CB-CG1 3.89Å; H506-V532 VanDerWaalsContact CG-CG1 3.42Å; H506-V532 PolarHBondContact O-N 2.96Å; Q508-V532 HydrophobicContact CG-CG1 4.4Å; I530-V532 PolarHBondContact O-N 2.81Å; V532-Y554 WeakPolarHBondContact CG2-OH 3.39Å
533	A	96.2	Very high	97.6	Very high	70 Å²	70	45.4 Å²	45.4	58%	0.579	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	-35.9	172	0	0	0	0	0	111.5	K542	A533-K542 PolarHBondContact N-O 2.63Å
534	G	95.6	Very high	97.6	Very high	11 Å²	11	46.5 Å²	46.5	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	167.9	178	0	0	0	0	0	112.3	S541 K542	G534-S541 WeakPolarHBondContact O-CA 3.28Å; G534-S541 WeakPolarHBondContact O-CB 3.3Å; G534-K542 PolarHBondContact N-O 2.93Å; G534-K542 PolarHBondContact O-N 3.09Å
535	N	96.4	Very high	97.6	Very high	35 Å²	35	46.4 Å²	46.4	19%	0.187	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.8	173.8	-171.6	-17.7	0	0	0	107.9	I497 W537 Y540	I497-N535 HydrophobicContact CG2-CB 3.55Å; N535-W537 VanDerWaalsContact C-N 3.32Å; N535-W537 HydrophobicContact CB-CD2 4.27Å; N535-W537 HydrophobicContact CB-CE3 4.25Å; N535-W537 HydrophobicContact CB-CH2 4.16Å; N535-W537 HydrophobicContact CB-CZ2 4.15Å; N535-W537 HydrophobicContact CB-CZ3 4.2Å; N535-W537 PolarHBondContact O-NE1 3.31Å; N535-W537 PolarHBondContact OD1-N 2.84Å; N535-Y540 PolarHBondContact OD1-O 2.95Å
536	H	95.3	Very high	97.6	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.417	27%	0.27	S	S	.	.			trans	-88.9	-2.6	179.2	-70.3	-169	0	0	0	112.9	D538 Y540 L553	H536-D538 WeakPolarHBondContact CB-OD1 3.04Å; H536-D538 PolarHBondContact O-N 3.41Å; H536-D538 VanDerWaalsContact O-N 3.16Å; H536-Y540 PolarHBondContact N-O 3.3Å; H536-L553 VanDerWaalsContact CE1-CD2 3.45Å; H536-L553 WeakPolarHBondContact CE1-CD2 3.36Å
537	W	95.2	Very high	97.5	Very high	92 Å²	92	51 Å²	51	35%	0.348	28%	0.276	S	S	.	.	S	Bend	trans	62.5	19	179.4	-43.2	109.1	0	0	0	114.1	F491 S493 D495 I497 N535	F491-W537 HydrophobicContact CE2-CH2 4.25Å; S493-W537 PolarHBondContact O-NE1 3.43Å; S493-W537 VanDerWaalsContact O-NE1 3.11Å; D495-W537 PolarHBondContact O-NE1 3.01Å; I497-W537 HydrophobicContact CG2-CH2 4.1Å; I497-W537 HydrophobicContact CG2-CZ2 4.06Å; N535-W537 VanDerWaalsContact C-N 3.32Å; N535-W537 HydrophobicContact CB-CD2 4.27Å; N535-W537 HydrophobicContact CB-CE3 4.25Å; N535-W537 HydrophobicContact CB-CH2 4.16Å; N535-W537 HydrophobicContact CB-CZ2 4.15Å; N535-W537 HydrophobicContact CB-CZ3 4.2Å; N535-W537 PolarHBondContact O-NE1 3.31Å; N535-W537 PolarHBondContact OD1-N 2.84Å
538	D	96.6	Very high	97.5	Very high	104 Å²	104	52.7 Å²	52.7	56%	0.556	27%	0.273	S	S	*	.	S	Bend	trans	-115.7	8.8	178.6	66	2.7	0	0	0	113	H536 Y540	H536-D538 WeakPolarHBondContact CB-OD1 3.04Å; H536-D538 PolarHBondContact O-N 3.41Å; H536-D538 VanDerWaalsContact O-N 3.16Å; D538-Y540 WeakPolarHBondContact OD1-CA 3.46Å; D538-Y540 WeakPolarHBondContact OD1-CB 3.04Å; D538-Y540 PolarHBondContact OD1-N 2.94Å
539	G	97.1	Very high	97.4	Very high	43 Å²	43	54.8 Å²	54.8	44%	0.443	30%	0.296	S	S	.	.	S	Bend	trans	96.2	-7	-173.6	0	0	0	0	0	114.6	P555 S556	G539-P555 WeakPolarHBondContact O-CA 3.29Å; G539-S556 PolarHBondContact O-N 3.17Å; G539-S556 PolarHBondContact O-OG 3.24Å
540	Y	98.3	Very high	97.3	Very high	67 Å²	67	58.3 Å²	58.3	26%	0.263	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.1	172.5	-69.1	-97.8	0	0	0	112.3	E521 N535 H536 D538 L553 Y554 P555 S556	E521-Y540 HydrophobicContact CG-CE1 4.38Å; N535-Y540 PolarHBondContact OD1-O 2.95Å; H536-Y540 PolarHBondContact N-O 3.3Å; D538-Y540 WeakPolarHBondContact OD1-CA 3.46Å; D538-Y540 WeakPolarHBondContact OD1-CB 3.04Å; D538-Y540 PolarHBondContact OD1-N 2.94Å; Y540-L553 HydrophobicContact CD1-CB 4.17Å; Y540-Y554 WeakPolarHBondContact CA-O 3.27Å; Y540-P555 HydrophobicContact CD1-CG 4.35Å; Y540-P555 HydrophobicContact CE1-CG 3.89Å; Y540-S556 PolarHBondContact O-OG 3.04Å
541	S	98.4	Very high	97.3	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.028	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.7	168.9	-66.8	0	0	0	0	109.3	G534 L553 Y554 S556	G534-S541 WeakPolarHBondContact O-CA 3.28Å; G534-S541 WeakPolarHBondContact O-CB 3.3Å; S541-L553 CarbonylContact O-C 3.59Å; S541-L553 VanDerWaalsContact O-CA 3.29Å; S541-L553 WeakPolarHBondContact O-CA 3.29Å; S541-Y554 VanDerWaalsContact CB-CZ 3.48Å; S541-Y554 WeakPolarHBondContact CB-OH 3.26Å; S541-Y554 PolarHBondContact N-O 3.46Å; S541-Y554 WeakPolarHBondContact O-CD1 3.43Å; S541-Y554 PolarHBondContact O-N 3.31Å; S541-S556 PolarHBondContact N-OG 3.05Å; S541-S556 PolarHBondContact OG-OG 3.04Å
542	K	98.3	Very high	97.3	Very high	99 Å²	99	62.8 Å²	62.8	43%	0.43	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141	174.6	-170.7	175.2	-178.7	177.6	0	110.2	A533 G534 G552 L553	A533-K542 PolarHBondContact N-O 2.63Å; G534-K542 PolarHBondContact N-O 2.93Å; G534-K542 PolarHBondContact O-N 3.09Å; K542-G552 WeakPolarHBondContact CA-O 3.25Å; K542-L553 HydrophobicContact CB-CD2 4Å; K542-L553 HydrophobicContact CG-CD2 4.32Å
543	G	98.1	Very high	97.3	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-174.5	178.7	0	0	0	0	0	113.3	G531 T551 G552	G531-G543 CarbonylContact O-C 3.59Å; G531-G543 WeakPolarHBondContact O-CA 3.43Å; G543-T551 CarbonylContact O-C 3.49Å; G543-T551 VanDerWaalsContact O-CA 3.26Å; G543-T551 WeakPolarHBondContact O-CA 3.49Å; G543-G552 PolarHBondContact N-O 2.72Å; G543-G552 PolarHBondContact O-N 3.47Å
544	I	98.4	Very high	97.4	Very high	54 Å²	54	60.4 Å²	60.4	28%	0.277	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.2	179.4	-175.2	170.3	0	0	0	110.4	I530 G531 R546 R550	I530-I544 CarbonylContact C-O 3.59Å; I530-I544 WeakPolarHBondContact CA-O 3.28Å; G531-I544 PolarHBondContact N-O 3.22Å; G531-I544 PolarHBondContact O-N 2.75Å; I544-R546 PolarHBondContact O-N 2.84Å; I544-R550 CarbonylContact C-O 3.4Å; I544-R550 WeakPolarHBondContact CA-O 3.45Å
545	N	98.4	Very high	97.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107.4	165.3	-176.6	-29.4	0	0	0	107.9	I522 P523 D528 I530 K547 L548 G549 R550	I522-N545 HydrophobicContact CD1-CB 4.17Å; P523-N545 PolarHBondContact O-ND2 3.35Å; D528-N545 PolarHBondContact OD2-ND2 3.02Å; I530-N545 HydrophobicContact CD1-CB 3.82Å; N545-K547 PolarHBondContact O-N 3.36Å; N545-K547 WeakPolarHBondContact OD1-CB 3.41Å; N545-K547 PolarHBondContact OD1-N 3.17Å; N545-K547 VanDerWaalsContact OD1-N 3.11Å; N545-L548 HydrophobicContact CB-CB 4.43Å; N545-L548 PolarHBondContact O-N 2.99Å; N545-G549 PolarHBondContact O-N 2.66Å; N545-R550 PolarHBondContact N-O 2.57Å
546	R	98.1	Very high	97.7	Very high	120 Å²	120	60 Å²	60	45%	0.453	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.4	-172.2	-65.2	-167.4	-179.9	-74.8	-7	113.5	N507 V529 I544	N507-R546 VanDerWaalsContact OD1-CZ 3.27Å; N507-R546 PolarHBondContact OD1-NE 3.32Å; N507-R546 PolarHBondContact OD1-NH2 3.18Å; V529-R546 HydrophobicContact CG1-CG 4.43Å; V529-R546 WeakPolarHBondContact O-CB 3.35Å; V529-R546 WeakPolarHBondContact O-CG 3.46Å; V529-R546 PolarHBondContact O-N 3.08Å; I544-R546 PolarHBondContact O-N 2.84Å
547	K	97.7	Very high	97.8	Very high	146 Å²	146	63.3 Å²	63.3	64%	0.635	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-36.1	177.7	-179	-175.5	179.5	-174.1	0	111.8	D528 N545	D528-K547 WeakPolarHBondContact OD1-CD 2.93Å; D528-K547 IonicContact OD1-NZ 2.76Å; D528-K547 PolarHBondContact OD1-NZ 3.01Å; N545-K547 PolarHBondContact O-N 3.36Å; N545-K547 WeakPolarHBondContact OD1-CB 3.41Å; N545-K547 PolarHBondContact OD1-N 3.17Å; N545-K547 VanDerWaalsContact OD1-N 3.11Å
548	L	96.6	Very high	98	Very high	86 Å²	86	60.2 Å²	60.2	45%	0.45	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-15	-176.6	-58	179.7	0	0	0	113.3	P523 N545 R550	P523-L548 HydrophobicContact CG-CD1 3.65Å; N545-L548 HydrophobicContact CB-CB 4.43Å; N545-L548 PolarHBondContact O-N 2.99Å; L548-R550 HydrophobicContact CB-CG 4.3Å; L548-R550 PolarHBondContact O-N 3.43Å; L548-R550 HydrophobicContact CB-CB 4.43Å
549	G	97.1	Very high	98.1	Very high	54 Å²	54	56.1 Å²	56.1	56%	0.557	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	19.2	-173.4	0	0	0	0	0	113.8	N545	N545-G549 PolarHBondContact O-N 2.66Å
550	R	97.3	Very high	98.1	Very high	122 Å²	122	59.6 Å²	59.6	46%	0.46	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.8	-178	-70.5	-172.4	65.7	-171.6	-4.4	111.2	I522 I544 N545 L548	I522-R550 HydrophobicContact CG2-CB 4.17Å; I544-R550 CarbonylContact C-O 3.4Å; I544-R550 WeakPolarHBondContact CA-O 3.45Å; N545-R550 PolarHBondContact N-O 2.57Å; L548-R550 HydrophobicContact CB-CG 4.3Å; L548-R550 PolarHBondContact O-N 3.43Å; L548-R550 HydrophobicContact CB-CB 4.43Å
551	T	98.3	Very high	98.1	Very high	91 Å²	91	61.1 Å²	61.1	56%	0.558	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	176.9	-57.7	0	0	0	0	110.4	I522 G543	I522-T551 VanDerWaalsContact CG2-C 3.44Å; G543-T551 CarbonylContact O-C 3.49Å; G543-T551 VanDerWaalsContact O-CA 3.26Å; G543-T551 WeakPolarHBondContact O-CA 3.49Å
552	G	98.2	Very high	98.1	Very high	8 Å²	8	64.3 Å²	64.3	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-163.6	176.5	0	0	0	0	0	111.9	D520 I522 K542 G543	D520-G552 CarbonylContact O-C 3.58Å; D520-G552 VanDerWaalsContact O-CA 3.22Å; D520-G552 WeakPolarHBondContact O-CA 3.44Å; I522-G552 VanDerWaalsContact CG2-N 3.31Å; K542-G552 WeakPolarHBondContact CA-O 3.25Å; G543-G552 PolarHBondContact N-O 2.72Å; G543-G552 PolarHBondContact O-N 3.47Å
553	L	98.6	Very high	98.1	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.209	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.4	-176.8	-58.6	178.8	0	0	0	112	D520 E521 I522 H536 Y540 S541 K542	D520-L553 HydrophobicContact CB-CD1 4.4Å; D520-L553 PolarHBondContact O-N 2.98Å; E521-L553 CarbonylContact C-O 3.58Å; E521-L553 WeakPolarHBondContact CA-O 3.07Å; E521-L553 HydrophobicContact CG-CB 4.26Å; I522-L553 WeakPolarHBondContact CG1-O 3.35Å; I522-L553 PolarHBondContact N-O 3.1Å; H536-L553 VanDerWaalsContact CE1-CD2 3.45Å; H536-L553 WeakPolarHBondContact CE1-CD2 3.36Å; Y540-L553 HydrophobicContact CD1-CB 4.17Å; S541-L553 CarbonylContact O-C 3.59Å; S541-L553 VanDerWaalsContact O-CA 3.29Å; S541-L553 WeakPolarHBondContact O-CA 3.29Å; K542-L553 HydrophobicContact CB-CD2 4Å; K542-L553 HydrophobicContact CG-CD2 4.32Å
554	Y	98.6	Very high	98.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.7	170.5	59.4	-85.7	0	0	0	110.6	Q508 I522 M524 I530 V532 Y540 S541 S556 V559	Q508-Y554 PolarHBondContact OE1-OH 3.15Å; I522-Y554 HydrophobicContact CD1-CD1 3.76Å; I522-Y554 HydrophobicContact CD1-CG 4.45Å; I522-Y554 HydrophobicContact CG1-CD1 4.16Å; M524-Y554 HydrophobicContact CE-CD2 4.1Å; M524-Y554 HydrophobicContact CE-CG 4.2Å; M524-Y554 HydrophobicContact SD-CD2 3.98Å; M524-Y554 HydrophobicContact SD-CG 3.87Å; I530-Y554 HydrophobicContact CG2-CD1 4.25Å; I530-Y554 HydrophobicContact CG2-CE1 3.63Å; I530-Y554 HydrophobicContact CG2-CE2 4.39Å; V532-Y554 WeakPolarHBondContact CG2-OH 3.39Å; Y540-Y554 WeakPolarHBondContact CA-O 3.27Å; S541-Y554 VanDerWaalsContact CB-CZ 3.48Å; S541-Y554 WeakPolarHBondContact CB-OH 3.26Å; S541-Y554 PolarHBondContact N-O 3.46Å; S541-Y554 WeakPolarHBondContact O-CD1 3.43Å; S541-Y554 PolarHBondContact O-N 3.31Å; Y554-S556 PolarHBondContact O-N 3.06Å; Y554-V559 HydrophobicContact CD2-CG1 3.94Å; Y554-V559 HydrophobicContact CE2-CB 4.48Å; Y554-V559 HydrophobicContact CE2-CG1 3.75Å; Y554-V559 HydrophobicContact CE2-CG2 3.91Å
555	P	98.6	Very high	98.1	Very high	11 Å²	11	66.7 Å²	66.7	7%	0.071	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124.8	178.5	-21.9	31.9	0	0	0	111.8	H514 G539 Y540 Y557 K558	H514-P555 VanDerWaalsContact CD2-CD 3.4Å; H514-P555 WeakPolarHBondContact CD2-CD 3.17Å; H514-P555 VanDerWaalsContact NE2-CD 3.35Å; H514-P555 WeakPolarHBondContact NE2-CD 3.48Å; G539-P555 WeakPolarHBondContact O-CA 3.29Å; Y540-P555 HydrophobicContact CD1-CG 4.35Å; Y540-P555 HydrophobicContact CE1-CG 3.89Å; P555-Y557 HydrophobicContact CB-CD1 3.86Å; P555-Y557 HydrophobicContact CB-CE1 3.67Å; P555-Y557 PolarHBondContact O-N 3.01Å; P555-K558 HydrophobicContact CB-CG 4.14Å; P555-K558 VanDerWaalsContact O-N 3.07Å; P555-K558 PolarHBondContact O-N 3.43Å; P555-K558 WeakPolarHBondContact O-CB 3.26Å; P555-K558 HydrophobicContact CG-CD 4.12Å; P555-K558 HydrophobicContact CB-CD 4.17Å
556	S	98.4	Very high	98	Very high	28 Å²	28	67.7 Å²	67.7	20%	0.196	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-61.9	-28.8	-171.5	-52.1	0	0	0	0	113.4	G539 Y540 S541 Y554 K558 V559	G539-S556 PolarHBondContact O-N 3.17Å; G539-S556 PolarHBondContact O-OG 3.24Å; Y540-S556 PolarHBondContact O-OG 3.04Å; S541-S556 PolarHBondContact N-OG 3.05Å; S541-S556 PolarHBondContact OG-OG 3.04Å; Y554-S556 PolarHBondContact O-N 3.06Å; S556-K558 PolarHBondContact O-N 2.88Å; S556-V559 VanDerWaalsContact O-CG2 3.23Å; S556-V559 WeakPolarHBondContact O-CG2 3.4Å
557	Y	98.4	Very high	98.1	Very high	159 Å²	159	70 Å²	70	62%	0.624	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-74	-8.8	179.4	81.3	-86.3	0	0	0	114.3	Y512 P555 V559	Y512-Y557 HydrophobicContact CD2-CD2 4.45Å; Y512-Y557 HydrophobicContact CD2-CE2 4.33Å; P555-Y557 HydrophobicContact CB-CD1 3.86Å; P555-Y557 HydrophobicContact CB-CE1 3.67Å; P555-Y557 PolarHBondContact O-N 3.01Å; Y557-V559 VanDerWaalsContact C-N 3.34Å
558	K	98.7	Very high	98.1	Very high	27 Å²	27	63.5 Å²	63.5	12%	0.117	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-91	4.8	-174.8	-68.5	-169.5	174.6	-170.3	0	114.8	I511 Y512 A513 H514 M524 P555 S556	I511-K558 VanDerWaalsContact CG1-C 3.5Å; I511-K558 WeakPolarHBondContact CG1-O 3.39Å; I511-K558 PolarHBondContact N-O 2.5Å; Y512-K558 HydrophobicContact CD2-CG 4.37Å; Y512-K558 PolarHBondContact N-O 3.12Å; A513-K558 PolarHBondContact O-NZ 2.93Å; H514-K558 HydrophobicContact CB-CD 3.97Å; M524-K558 HydrophobicContact CE-CB 3.83Å; M524-K558 HydrophobicContact CE-CD 4.28Å; P555-K558 HydrophobicContact CB-CG 4.14Å; P555-K558 VanDerWaalsContact O-N 3.07Å; P555-K558 PolarHBondContact O-N 3.43Å; P555-K558 WeakPolarHBondContact O-CB 3.26Å; P555-K558 HydrophobicContact CG-CD 4.12Å; P555-K558 HydrophobicContact CB-CD 4.17Å; S556-K558 PolarHBondContact O-N 2.88Å
559	V	98.7	Very high	98.2	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.5	-177.4	-65.9	0	0	0	0	110	Q508 I509 M524 I530 Y554 S556 Y557	Q508-V559 HydrophobicContact CB-CB 4.06Å; Q508-V559 HydrophobicContact CB-CG2 4.45Å; I509-V559 CarbonylContact O-C 3.57Å; I509-V559 WeakPolarHBondContact O-CA 3.43Å; M524-V559 HydrophobicContact CE-CG1 4.44Å; M524-V559 HydrophobicContact SD-CG1 4.17Å; I530-V559 HydrophobicContact CG1-CG1 4.3Å; Y554-V559 HydrophobicContact CD2-CG1 3.94Å; Y554-V559 HydrophobicContact CE2-CB 4.48Å; Y554-V559 HydrophobicContact CE2-CG1 3.75Å; Y554-V559 HydrophobicContact CE2-CG2 3.91Å; S556-V559 VanDerWaalsContact O-CG2 3.23Å; S556-V559 WeakPolarHBondContact O-CG2 3.4Å; Y557-V559 VanDerWaalsContact C-N 3.34Å
560	K	97.9	Very high	98.2	Very high	117 Å²	117	60.4 Å²	60.4	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.9	166.4	68	178.1	177.7	175.7	0	109.7	Q508 I509 I511	Q508-K560 CarbonylContact C-O 3.56Å; Q508-K560 VanDerWaalsContact CA-O 3.24Å; Q508-K560 WeakPolarHBondContact CA-O 3.49Å; Q508-K560 WeakPolarHBondContact CB-O 3.48Å; I509-K560 HydrophobicContact CB-CG 4.13Å; I509-K560 PolarHBondContact N-O 2.82Å; I509-K560 PolarHBondContact O-N 3.47Å; I511-K560 HydrophobicContact CG2-CB 4.1Å; I511-K560 HydrophobicContact CG2-CD 3.66Å; I511-K560 HydrophobicContact CG2-CG 3.66Å
561	E	97.9	Very high	98.3	Very high	98 Å²	98	55 Å²	55	46%	0.458	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137	175.6	-66.8	-56.5	142.3	0	0	111.9	H506 Q508	H506-E561 IonicContact CD2-OE2 3.23Å; H506-E561 IonicContact CE1-OE2 3.88Å; H506-E561 IonicContact NE2-OE1 3.25Å; H506-E561 IonicContact NE2-OE2 3.12Å; H506-E561 PolarHBondContact NE2-OE2 3.2Å; Q508-E561 PolarHBondContact NE2-OE1 3.09Å
562	K	98.1	Very high	98.2	Very high	71 Å²	71	54.1 Å²	54.1	31%	0.309	27%	0.268	S	S	.	.			trans	-93.9	98.2	170.6	-173.5	175.3	-178.7	-95.7	0	108.5	N507 I509 E564	N507-K562 HydrophobicContact CB-CB 4.08Å; N507-K562 HydrophobicContact CB-CD 4.02Å; N507-K562 WeakPolarHBondContact O-CB 3.27Å; N507-K562 PolarHBondContact O-N 3.34Å; I509-K562 HydrophobicContact CD1-CB 4.36Å; I509-K562 HydrophobicContact CD1-CD 4.38Å; I509-K562 HydrophobicContact CD1-CG 4.16Å; I509-K562 HydrophobicContact CG1-CB 4.06Å; I509-K562 HydrophobicContact CG1-CD 4.31Å; I509-K562 HydrophobicContact CG1-CG 4.27Å; K562-E564 PolarHBondContact NZ-OE1 2.88Å; K562-E564 PolarHBondContact O-N 3.12Å; K562-E564 PolarHBondContact NZ-OE2 3.39Å; K562-E564 IonicContact NZ-OE1 3.69Å; K562-E564 IonicContact NZ-OE2 3.43Å
563	I	97.7	Very high	98.1	Very high	70 Å²	70	57.7 Å²	57.7	36%	0.359	28%	0.283	S	S	.	.			trans	-72.3	117.1	176.3	-57.3	179.1	0	0	0	108.8	I309 I318 P324	I309-I563 HydrophobicContact CD1-CG2 3.58Å; I309-I563 HydrophobicContact CG1-CG2 4.08Å; I318-I563 HydrophobicContact CD1-CD1 3.74Å; I318-I563 HydrophobicContact CD1-CG2 4.49Å; I318-I563 HydrophobicContact CG1-CD1 3.54Å; P324-I563 HydrophobicContact CG-CD1 4.19Å
564	E	97.6	Very high	98	Very high	65 Å²	65	56.5 Å²	56.5	30%	0.304	28%	0.279	S	S	.	.			trans	-90.1	132.2	175.4	-54.9	-68.4	-176.7	0	0	109.4	A308 I309 K562	A308-E564 VanDerWaalsContact CA-O 3.25Å; A308-E564 WeakPolarHBondContact CA-O 3.48Å; A308-E564 HydrophobicContact CB-CB 4.02Å; I309-E564 PolarHBondContact N-O 2.79Å; K562-E564 PolarHBondContact NZ-OE1 2.88Å; K562-E564 PolarHBondContact O-N 3.12Å; K562-E564 PolarHBondContact NZ-OE2 3.39Å; K562-E564 IonicContact NZ-OE1 3.69Å; K562-E564 IonicContact NZ-OE2 3.43Å
565	T	98.3	Very high	97.3	Very high	70 Å²	70	60.7 Å²	60.7	43%	0.429	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.7	176.7	58.2	0	0	0	0	111	I309 A314	I309-T565 HydrophobicContact CG1-CG2 4.06Å; I309-T565 CarbonylContact O-C 3.6Å; I309-T565 WeakPolarHBondContact O-CA 3.37Å; A314-T565 HydrophobicContact CB-CG2 3.58Å
566	V	98.3	Very high	96	Very high	22 Å²	22	71.1 Å²	71.1	13%	0.133	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.3	178.7	169.1	0	0	0	0	109.1	P303 Y304 A308 I309 P310 E311 Y568	P303-V566 HydrophobicContact CB-CG1 3.88Å; P303-V566 HydrophobicContact CB-CG2 4.24Å; P303-V566 HydrophobicContact CG-CG1 4.24Å; P303-V566 WeakPolarHBondContact O-CG2 3.36Å; Y304-V566 HydrophobicContact CD1-CG1 3.82Å; Y304-V566 HydrophobicContact CE1-CG1 4.03Å; A308-V566 HydrophobicContact CB-CB 4.37Å; A308-V566 HydrophobicContact CB-CG2 3.56Å; I309-V566 PolarHBondContact O-N 3.34Å; P310-V566 WeakPolarHBondContact CA-O 2.99Å; E311-V566 PolarHBondContact N-O 2.73Å; V566-Y568 HydrophobicContact CB-CD2 3.96Å; V566-Y568 HydrophobicContact CB-CE2 3.84Å; V566-Y568 HydrophobicContact CG1-CD2 3.81Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 WeakPolarHBondContact O-CD2 3.42Å; V566-Y568 PolarHBondContact O-N 3.24Å
567	K	98.5	Very high	95.9	Very high	168 Å²	168	73.3 Å²	73.3	73%	0.73	35%	0.353	S	S	*	.			trans	-76.3	90.8	176.3	-170.9	174.2	-177.6	174.1	0	110.9
568	Y	98.6	Very high	95.7	Very high	9 Å²	9	68.8 Å²	68.8	4%	0.035	34%	0.339	C	S	.	.			trans	-83.8	160.4	172.4	-83.5	-95.8	0	0	0	112	Y236 Y304 P310 W328 V566	Y236-Y568 AromaticContact CD1-CD1 3.6Å; Y236-Y568 HydrophobicContact CD1-CD1 3.6Å; Y236-Y568 HydrophobicContact CD1-CE1 4.08Å; Y236-Y568 AromaticContact CE1-CD1 3.91Å; Y236-Y568 HydrophobicContact CE1-CD1 3.91Å; Y236-Y568 HydrophobicContact CE1-CG 4.49Å; Y304-Y568 WeakPolarHBondContact CA-OH 3.19Å; Y304-Y568 WeakPolarHBondContact CB-OH 3.43Å; Y304-Y568 AromaticContact CD1-CD1 3.69Å; Y304-Y568 HydrophobicContact CD1-CD1 3.69Å; Y304-Y568 HydrophobicContact CD1-CD2 4.18Å; Y304-Y568 AromaticContact CD1-CE1 3.53Å; Y304-Y568 HydrophobicContact CD1-CE1 3.53Å; Y304-Y568 HydrophobicContact CD1-CE2 4.01Å; Y304-Y568 HydrophobicContact CD1-CG 4.06Å; Y304-Y568 AromaticContact CD1-CZ 3.72Å; Y304-Y568 HydrophobicContact CE1-CD1 4.28Å; Y304-Y568 HydrophobicContact CE1-CG 4.44Å; Y304-Y568 HydrophobicContact CG-CD1 4.48Å; Y304-Y568 AromaticContact CG-CE1 3.96Å; Y304-Y568 HydrophobicContact CG-CE1 3.96Å; Y304-Y568 PolarHBondContact O-OH 3.27Å; P310-Y568 HydrophobicContact CB-CD2 4.13Å; P310-Y568 HydrophobicContact CB-CG 4.36Å; P310-Y568 HydrophobicContact CG-CD2 3.97Å; P310-Y568 HydrophobicContact CG-CE2 4.44Å; P310-Y568 HydrophobicContact CG-CG 4.2Å; W328-Y568 HydrophobicContact CZ2-CD1 4.19Å; W328-Y568 HydrophobicContact CZ2-CE1 4.01Å; W328-Y568 AromaticContact NE1-CZ 3.73Å; V566-Y568 HydrophobicContact CB-CD2 3.96Å; V566-Y568 HydrophobicContact CB-CE2 3.84Å; V566-Y568 HydrophobicContact CG1-CD2 3.81Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 WeakPolarHBondContact O-CD2 3.42Å; V566-Y568 PolarHBondContact O-N 3.24Å
569	P	98.3	Very high	95.6	Very high	17 Å²	17	71.1 Å²	71.1	11%	0.11	35%	0.351	C	S	.	.			trans	-65.6	142.6	166.8	-16.7	30.3	0	0	0	111.8	Y236 G237 Q239 Y571	Y236-P569 PolarHBondContact OH-O 3.02Å; G237-P569 WeakPolarHBondContact O-CD 3.18Å; G237-P569 WeakPolarHBondContact O-CG 3.28Å; Q239-P569 HydrophobicContact CG-CB 3.81Å; Q239-P569 HydrophobicContact CG-CG 3.51Å; P569-Y571 HydrophobicContact CB-CE2 3.68Å; P569-Y571 HydrophobicContact CG-CE2 4.36Å; P569-Y571 HydrophobicContact CB-CE1 4.4Å; P569-Y571 HydrophobicContact CB-CD2 4.17Å
570	T	98.1	Very high	95.4	Very high	58 Å²	58	74.3 Å²	74.3	36%	0.356	37%	0.366	S	S	.	.			trans	-100.7	-9.3	-175.7	59.4	0	0	0	0	114	R195 D312	R195-T570 WeakPolarHBondContact CD-O 3.25Å; R195-T570 PolarHBondContact NE-O 3.26Å; R195-T570 PolarHBondContact NH2-O 2.89Å; D312-T570 HydrophobicContact CB-CG2 4.03Å
571	Y	98.1	Very high	95.2	Very high	10 Å²	10	71.6 Å²	71.6	4%	0.039	36%	0.357	C	S	.	.			trans	44.8	56	177.2	-57.7	-80.6	0	0	0	114.2	R195 Y198 L199 Y236 Q239 P569 E573 A574	R195-Y571 HydrophobicContact CB-CD2 4.11Å; R195-Y571 HydrophobicContact CB-CG 4.45Å; Y198-Y571 AromaticContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CG 4.41Å; Y198-Y571 AromaticContact CE1-CD1 3.99Å; Y198-Y571 HydrophobicContact CE1-CD1 3.99Å; L199-Y571 HydrophobicContact CB-CE1 4.27Å; L199-Y571 HydrophobicContact CD1-CE1 3.94Å; Y236-Y571 HydrophobicContact CD1-CE2 4.09Å; Y236-Y571 AromaticContact CD2-CE2 3.88Å; Y236-Y571 HydrophobicContact CD2-CE2 3.88Å; Y236-Y571 HydrophobicContact CE1-CD2 4.3Å; Y236-Y571 AromaticContact CE1-CE2 3.7Å; Y236-Y571 HydrophobicContact CE1-CE2 3.7Å; Y236-Y571 AromaticContact CE2-CD2 3.84Å; Y236-Y571 HydrophobicContact CE2-CD2 3.84Å; Y236-Y571 AromaticContact CE2-CE2 3.5Å; Y236-Y571 HydrophobicContact CE2-CE2 3.5Å; Y236-Y571 HydrophobicContact CG-CE2 4.15Å; Y236-Y571 AromaticContact CZ-CD2 3.64Å; Y236-Y571 AromaticContact CZ-CE2 3.38Å; Y236-Y571 PolarHBondContact O-OH 3.31Å; Y236-Y571 WeakPolarHBondContact OH-CD2 3.32Å; Q239-Y571 WeakPolarHBondContact CA-OH 3.28Å; Q239-Y571 HydrophobicContact CB-CE1 4.42Å; Q239-Y571 HydrophobicContact CG-CE1 4.12Å; P569-Y571 HydrophobicContact CB-CE2 3.68Å; P569-Y571 HydrophobicContact CG-CE2 4.36Å; P569-Y571 HydrophobicContact CB-CE1 4.4Å; P569-Y571 HydrophobicContact CB-CD2 4.17Å; Y571-E573 PolarHBondContact O-N 3.28Å; Y571-A574 VanDerWaalsContact O-CB 3.3Å; Y571-A574 WeakPolarHBondContact O-CB 3.33Å; Y571-A574 PolarHBondContact O-N 3.45Å
572	P	97.3	Very high	95	Very high	71 Å²	71	69.9 Å²	69.9	46%	0.461	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-61.9	-17.5	-176.7	28.4	-36.8	0	0	0	113.5	A574 D575	P572-A574 PolarHBondContact O-N 3.07Å; P572-D575 PolarHBondContact O-N 3.04Å
573	E	96.2	Very high	94.8	Very high	83 Å²	83	69.8 Å²	69.8	39%	0.388	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.8	174.3	-56.5	81.6	-176.8	0	0	113	Y198 Y571 D575 K576	Y198-E573 HydrophobicContact CE1-CB 4.22Å; Y198-E573 HydrophobicContact CE2-CB 3.77Å; Y198-E573 WeakPolarHBondContact OH-CB 3.47Å; Y571-E573 PolarHBondContact O-N 3.28Å; E573-D575 PolarHBondContact O-N 2.97Å; E573-K576 PolarHBondContact O-N 3.42Å
574	A	94.9	Very high	94.6	Very high	15 Å²	15	69.8 Å²	69.8	12%	0.124	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-73	-11.5	177.3	0	0	0	0	0	113.5	R195 Y198 Y571 P572	R195-A574 HydrophobicContact CG-CB 4.46Å; Y198-A574 HydrophobicContact CD1-CB 4.41Å; Y198-A574 HydrophobicContact CD2-CB 4.37Å; Y198-A574 HydrophobicContact CG-CB 3.88Å; Y571-A574 VanDerWaalsContact O-CB 3.3Å; Y571-A574 WeakPolarHBondContact O-CB 3.33Å; Y571-A574 PolarHBondContact O-N 3.45Å; P572-A574 PolarHBondContact O-N 3.07Å
575	D	84.1	Confident	94.4	Very high	88 Å²	88	70.2 Å²	70.2	47%	0.471	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-91.8	-4.1	175.3	-68	-47.7	0	0	0	113.1	R194 P572 E573	R194-D575 IonicContact CZ-OD1 3.18Å; R194-D575 IonicContact NH1-OD1 3.79Å; R194-D575 PolarHBondContact NH1-OD1 2.75Å; R194-D575 IonicContact NH2-OD1 2.7Å; R194-D575 PolarHBondContact NH2-OD1 3.21Å; P572-D575 PolarHBondContact O-N 3.04Å; E573-D575 PolarHBondContact O-N 2.97Å
576	K	71.5	Confident	94	Very high	231 Å²	231	70.2 Å²	70.2	100%	1.004	35%	0.35	S	S	*	.			trans	-98.3	0	177	-62.5	178.1	-177.7	172.1	0	110.7	E573	E573-K576 PolarHBondContact O-N 3.42Å

Retrieved 576 of 576 residues in 951.9 ms (Link to these results)

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