A0A087YI36_POEFO Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A087YI36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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	32.5	Very low	47.7	Very low	239 Å²	239	114.4 Å²	114.4	100%	1.177	63%	0.629	S	S	*	*				0	109.7	0	-80.8	171.1	76.2	0	0	107.3
2	N	42.5	Very low	47.5	Very low	146 Å²	146	114.1 Å²	114.1	78%	0.781	63%	0.625	S	S	*	*			trans	-80.6	128.3	-151.6	-61.3	-14.5	0	0	0	112	L4	N2-L4 PolarHBondContact O-N 2.73Å
3	G	41.1	Very low	47.4	Very low	85 Å²	85	117.5 Å²	117.5	88%	0.876	63%	0.631	S	S	*	*			trans	-75	45.9	177.3	0	0	0	0	0	114.1
4	L	51.1	Low	47.2	Very low	90 Å²	90	115.9 Å²	115.9	47%	0.471	63%	0.631	S	S	.	*			trans	-92.4	124.2	171.1	-71	169.5	0	0	0	109.2	N2 E8 L9	N2-L4 PolarHBondContact O-N 2.73Å; L4-E8 WeakPolarHBondContact CA-OE2 3.49Å; L4-L9 HydrophobicContact CB-CD1 4.46Å
5	S	58.7	Low	46.6	Very low	64 Å²	64	114.6 Å²	114.6	45%	0.448	63%	0.633	S	S	.	*			trans	-64.8	145.5	175.3	171.2	0	0	0	0	110.3	K7 E8 L9	S5-K7 PolarHBondContact O-N 2.7Å; S5-K7 PolarHBondContact OG-N 3.46Å; S5-E8 PolarHBondContact N-OE2 3.15Å; S5-E8 WeakPolarHBondContact O-CA 3.19Å; S5-E8 WeakPolarHBondContact O-CB 3.44Å; S5-E8 PolarHBondContact O-N 3.45Å; S5-L9 PolarHBondContact O-N 3.21Å; S5-L9 VanDerWaalsContact O-N 3.17Å
6	F	47.3	Very low	46.3	Very low	168 Å²	168	115.3 Å²	115.3	74%	0.737	65%	0.645	S	S	*	*	H	α-helix	trans	-51.1	-30.9	174.4	-171.6	-99	0	0	0	112.5	L9 C10	F6-L9 PolarHBondContact O-N 3.34Å; F6-C10 PolarHBondContact O-N 3.28Å
7	K	48.4	Very low	46.6	Very low	164 Å²	164	114.7 Å²	114.7	71%	0.713	65%	0.647	S	S	*	*	H	α-helix	trans	-68.4	-35.1	176.6	-164.4	176.1	-178.5	-179.6	0	113	S5 C11	S5-K7 PolarHBondContact O-N 2.7Å; S5-K7 PolarHBondContact OG-N 3.46Å; K7-C11 PolarHBondContact O-N 3.37Å
8	E	53	Low	46.4	Very low	95 Å²	95	112.1 Å²	112.1	44%	0.444	64%	0.636	S	S	.	*	H	α-helix	trans	-74	-36	177.7	-64.7	170.2	143.3	0	0	110.9	L4 S5 C11 L12	L4-E8 WeakPolarHBondContact CA-OE2 3.49Å; S5-E8 PolarHBondContact N-OE2 3.15Å; S5-E8 WeakPolarHBondContact O-CA 3.19Å; S5-E8 WeakPolarHBondContact O-CB 3.44Å; S5-E8 PolarHBondContact O-N 3.45Å; E8-C11 PolarHBondContact O-N 2.89Å; E8-L12 PolarHBondContact O-N 3.29Å
9	L	52.7	Low	46.5	Very low	81 Å²	81	109.8 Å²	109.8	42%	0.424	63%	0.626	S	S	.	*	H	α-helix	trans	-63.5	-44.6	172.5	-132.2	84.7	0	0	0	111.6	L4 S5 F6 C11 L12 F13	L4-L9 HydrophobicContact CB-CD1 4.46Å; S5-L9 PolarHBondContact O-N 3.21Å; S5-L9 VanDerWaalsContact O-N 3.17Å; F6-L9 PolarHBondContact O-N 3.34Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.74Å; L9-L12 VanDerWaalsContact O-CB 3.3Å; L9-L12 WeakPolarHBondContact O-CB 3.19Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L12 VanDerWaalsContact O-N 3.08Å; L9-F13 HydrophobicContact CG-CE2 4.37Å; L9-F13 WeakPolarHBondContact O-CD2 3.43Å; L9-F13 PolarHBondContact O-N 3.08Å
10	C	47.2	Very low	46.6	Very low	54 Å²	54	106.6 Å²	106.6	37%	0.365	61%	0.611	S	S	.	*	H	α-helix	trans	-63.6	-34.8	177.7	-78.3	0	0	0	0	113.3	F6 L12 F13 C14	F6-C10 PolarHBondContact O-N 3.28Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 3.08Å; C10-F13 PolarHBondContact O-N 3.25Å; C10-C14 WeakPolarHBondContact O-CB 3.41Å; C10-C14 PolarHBondContact O-N 3.1Å
11	C	50.8	Low	46.5	Very low	72 Å²	72	110.4 Å²	110.4	49%	0.486	62%	0.615	S	S	.	*	H	α-helix	trans	-67.8	-25.6	173.9	-75.3	0	0	0	0	113.1	K7 E8 L9 I22	K7-C11 PolarHBondContact O-N 3.37Å; E8-C11 PolarHBondContact O-N 2.89Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.74Å; C11-I22 HydrophobicContact CB-CD1 4.33Å
12	L	44.3	Very low	47.3	Very low	111 Å²	111	102.5 Å²	102.5	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-73.1	-36.4	177.5	-129.5	88.1	0	0	0	112.6	E8 L9 C10	E8-L12 PolarHBondContact O-N 3.29Å; L9-L12 VanDerWaalsContact O-CB 3.3Å; L9-L12 WeakPolarHBondContact O-CB 3.19Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L12 VanDerWaalsContact O-N 3.08Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 3.08Å
13	F	47.2	Very low	47.6	Very low	158 Å²	158	97.6 Å²	97.6	69%	0.693	56%	0.557	S	S	*	*	H	α-helix	trans	-107.7	-20.8	-169.1	-70.2	-75.1	0	0	0	115.2	L9 C10	L9-F13 HydrophobicContact CG-CE2 4.37Å; L9-F13 WeakPolarHBondContact O-CD2 3.43Å; L9-F13 PolarHBondContact O-N 3.08Å; C10-F13 PolarHBondContact O-N 3.25Å
14	C	44.1	Very low	48	Very low	95 Å²	95	94.4 Å²	94.4	64%	0.642	52%	0.521	S	S	*	.	S	Bend	trans	-105.3	-1	-171.7	-59.9	0	0	0	0	115.2	C10	C10-C14 WeakPolarHBondContact O-CB 3.41Å; C10-C14 PolarHBondContact O-N 3.1Å
15	C	39.1	Very low	48.1	Very low	97 Å²	97	98 Å²	98	66%	0.655	53%	0.533	S	S	*	.	S	Bend	trans	-150.5	97.9	-179.3	-80	0	0	0	0	112.9
16	P	40.5	Very low	48.2	Very low	126 Å²	126	100.1 Å²	100.1	82%	0.818	54%	0.539	S	S	*	.			trans	-91.5	136.7	168.2	33.3	-26.9	0	0	0	111.1
17	P	52.6	Low	49.5	Very low	105 Å²	105	93.5 Å²	93.5	68%	0.682	52%	0.515	S	S	*	.	S	Bend	cis	-127.2	142.6	-8.2	36.5	-18.9	0	0	0	114.6
18	C	42.3	Very low	51.3	Low	67 Å²	67	86 Å²	86	45%	0.453	48%	0.482	S	S	.	.				-149.5	58.3	127.4	-97.9	0	0	0	0	110.9	S20 R21	C18-S20 PolarHBondContact O-N 2.82Å; C18-R21 HydrophobicContact CB-CB 4.41Å; C18-R21 HydrophobicContact CB-CG 4.48Å; C18-R21 PolarHBondContact O-N 2.91Å; C18-R21 VanDerWaalsContact O-N 3.16Å
19	P	47.7	Very low	53.2	Low	69 Å²	69	86.2 Å²	86.2	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-54	-34.5	174.6	-22.2	32.4	0	0	0	112.2	R21 I22 A23	P19-R21 VanDerWaalsContact C-N 3.32Å; P19-R21 PolarHBondContact O-N 3.31Å; P19-I22 PolarHBondContact O-N 2.87Å; P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.09Å
20	S	48.6	Very low	55.1	Low	46 Å²	46	84.9 Å²	84.9	32%	0.322	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-31.7	-179.7	61.8	0	0	0	0	114.1	C18 S24	C18-S20 PolarHBondContact O-N 2.82Å; S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.48Å
21	R	46.1	Very low	57.2	Low	186 Å²	186	83.9 Å²	83.9	70%	0.702	48%	0.475	S	S	*	.	H	α-helix	trans	-76.3	-30.6	177.6	-76.4	-171.8	177.7	178.2	1.9	113.3	C18 P19 S24 K25	C18-R21 HydrophobicContact CB-CB 4.41Å; C18-R21 HydrophobicContact CB-CG 4.48Å; C18-R21 PolarHBondContact O-N 2.91Å; C18-R21 VanDerWaalsContact O-N 3.16Å; P19-R21 VanDerWaalsContact C-N 3.32Å; P19-R21 PolarHBondContact O-N 3.31Å; R21-S24 WeakPolarHBondContact CA-OG 3.02Å; R21-S24 PolarHBondContact O-OG 3.46Å; R21-K25 WeakPolarHBondContact O-CG 3.21Å; R21-K25 PolarHBondContact O-N 3.11Å
22	I	48	Very low	59.3	Low	73 Å²	73	87 Å²	87	37%	0.374	48%	0.483	S	S	.	.	H	α-helix	trans	-83.2	-46.8	177.7	-61.4	174.6	0	0	0	109.3	C11 P19 S24 K25 L26	C11-I22 HydrophobicContact CB-CD1 4.33Å; P19-I22 PolarHBondContact O-N 2.87Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.43Å; I22-K25 WeakPolarHBondContact O-CB 3.1Å; I22-K25 PolarHBondContact O-N 2.95Å; I22-K25 VanDerWaalsContact O-N 3.12Å; I22-L26 HydrophobicContact CG2-CD1 4.2Å; I22-L26 PolarHBondContact O-N 2.89Å
23	A	49	Very low	61.7	Low	44 Å²	44	84.2 Å²	84.2	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-41.5	175.6	0	0	0	0	0	112	P19 K25 L26 A27	P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.09Å; A23-K25 PolarHBondContact O-N 2.99Å; A23-L26 PolarHBondContact O-N 3.16Å; A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.19Å
24	S	50	Low	64.1	Low	18 Å²	18	76.9 Å²	76.9	13%	0.126	44%	0.439	C	S	.	.	H	α-helix	trans	-64	-37	173.9	55.9	0	0	0	0	113	S20 R21 I22 L26 A27 F28	S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.48Å; R21-S24 WeakPolarHBondContact CA-OG 3.02Å; R21-S24 PolarHBondContact O-OG 3.46Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.43Å; S24-L26 VanDerWaalsContact C-N 3.31Å; S24-L26 PolarHBondContact O-N 2.93Å; S24-A27 PolarHBondContact O-N 3.27Å; S24-F28 WeakPolarHBondContact O-CD2 3.39Å; S24-F28 PolarHBondContact O-N 3.3Å
25	K	53.3	Low	66.6	Low	166 Å²	166	72.6 Å²	72.6	72%	0.722	41%	0.409	S	S	*	.	H	α-helix	trans	-67.1	-30.5	174.3	-82.8	-174.7	174.7	-169.1	0	113.4	R21 I22 A23	R21-K25 WeakPolarHBondContact O-CG 3.21Å; R21-K25 PolarHBondContact O-N 3.11Å; I22-K25 WeakPolarHBondContact O-CB 3.1Å; I22-K25 PolarHBondContact O-N 2.95Å; I22-K25 VanDerWaalsContact O-N 3.12Å; A23-K25 PolarHBondContact O-N 2.99Å
26	L	59.9	Low	69.3	Low	108 Å²	108	69.6 Å²	69.6	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-81.8	-26.1	175.5	-67.8	171	0	0	0	111.9	I22 A23 S24	I22-L26 HydrophobicContact CG2-CD1 4.2Å; I22-L26 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 3.16Å; S24-L26 VanDerWaalsContact C-N 3.31Å; S24-L26 PolarHBondContact O-N 2.93Å
27	A	74.5	Confident	72	Confident	28 Å²	28	64.4 Å²	64.4	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-76.3	-26.4	179.2	0	0	0	0	0	113.5	A23 S24 N129 F243	A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.19Å; S24-A27 PolarHBondContact O-N 3.27Å; A27-N129 PolarHBondContact O-ND2 3.31Å; A27-F243 HydrophobicContact CB-CE2 3.8Å; A27-F243 HydrophobicContact CB-CZ 4.23Å
28	F	87.6	Confident	73.9	Confident	6 Å²	6	63.3 Å²	63.3	3%	0.026	34%	0.344	C	S	.	.			trans	-107.6	119.1	177.6	-63.8	-69.7	0	0	0	110.8	S24 P30 Y159 P166 L171 I200 F243	S24-F28 WeakPolarHBondContact O-CD2 3.39Å; S24-F28 PolarHBondContact O-N 3.3Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.27Å; F28-Y159 WeakPolarHBondContact CA-OH 3.4Å; F28-Y159 HydrophobicContact CB-CE2 4.24Å; F28-Y159 WeakPolarHBondContact CB-OH 3.24Å; F28-Y159 HydrophobicContact CD1-CE2 4.21Å; F28-P166 HydrophobicContact CB-CB 3.57Å; F28-P166 HydrophobicContact CB-CG 3.81Å; F28-P166 HydrophobicContact CD1-CB 4.1Å; F28-P166 HydrophobicContact CD2-CB 3.85Å; F28-P166 HydrophobicContact CD2-CG 4.49Å; F28-P166 VanDerWaalsContact CD2-O 3.23Å; F28-P166 WeakPolarHBondContact CD2-O 3.47Å; F28-P166 HydrophobicContact CG-CB 3.6Å; F28-P166 HydrophobicContact CG-CG 4.31Å; F28-L171 HydrophobicContact CE1-CD1 4.18Å; F28-L171 HydrophobicContact CE1-CD2 4.06Å; F28-L171 HydrophobicContact CZ-CD2 3.99Å; F28-I200 HydrophobicContact CD1-CD1 3.61Å; F28-I200 HydrophobicContact CE1-CD1 3.41Å; F28-I200 VanDerWaalsContact CE1-CD1 3.41Å; F28-I200 HydrophobicContact CE1-CG1 4.26Å; F28-I200 HydrophobicContact CZ-CD1 4.16Å; F28-F243 HydrophobicContact CE1-CZ 4.35Å; F28-F243 HydrophobicContact CE2-CE1 4.23Å; F28-F243 AromaticContact CE2-CZ 3.75Å; F28-F243 HydrophobicContact CE2-CZ 3.75Å; F28-F243 AromaticContact CZ-CE1 3.82Å; F28-F243 HydrophobicContact CZ-CE1 3.82Å; F28-F243 AromaticContact CZ-CZ 3.54Å; F28-F243 HydrophobicContact CZ-CZ 3.54Å
29	L	91.4	Very high	76.2	Confident	101 Å²	101	64.5 Å²	64.5	53%	0.529	35%	0.351	S	S	.	.			trans	-120.1	71.9	178.2	-61.2	174.8	0	0	0	108.5	N129 A130 Y159	L29-N129 PolarHBondContact N-OD1 2.71Å; L29-A130 HydrophobicContact CB-CB 4.4Å; L29-A130 WeakPolarHBondContact O-CA 3.35Å; L29-A130 PolarHBondContact O-N 2.77Å; L29-Y159 PolarHBondContact N-OH 3.49Å; L29-Y159 VanDerWaalsContact N-OH 3.12Å
30	P	92.3	Very high	77.8	Confident	53 Å²	53	62.5 Å²	62.5	34%	0.344	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-59.3	129.8	175.8	24.4	-32.2	0	0	0	109.6	F28 G158 Y159	F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.27Å; P30-G158 VanDerWaalsContact CB-O 3.31Å; P30-G158 WeakPolarHBondContact CB-O 3.33Å; P30-Y159 HydrophobicContact CB-CD1 3.99Å; P30-Y159 HydrophobicContact CB-CD2 3.74Å; P30-Y159 HydrophobicContact CB-CE1 4.06Å; P30-Y159 HydrophobicContact CB-CE2 3.78Å; P30-Y159 HydrophobicContact CB-CG 3.83Å; P30-Y159 HydrophobicContact CG-CE2 4.26Å
31	P	92.9	Very high	78.7	Confident	32 Å²	32	66 Å²	66	21%	0.208	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-71	166.4	174.4	32.3	-35.1	0	0	0	110.3	D132	P31-D132 HydrophobicContact CG-CB 4.06Å
32	E	93.9	Very high	79.7	Confident	139 Å²	139	64.4 Å²	64.4	65%	0.65	36%	0.359	S	S	*	.	S	Bend	trans	-58.9	131.1	161.8	-76.2	-65.7	146.6	0	0	109	T34	E32-T34 PolarHBondContact O-N 2.92Å
33	P	95.6	Very high	80.3	Confident	52 Å²	52	62.5 Å²	62.5	34%	0.338	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-54	129.8	-174.8	-28.6	35	0	0	0	112.6	R82	P33-R82 PolarHBondContact O-NH2 3.43Å
34	T	96.6	Very high	80.4	Confident	3 Å²	3	67 Å²	67	2%	0.018	37%	0.372	C	S	.	.			trans	-98.6	-1.4	179	75.8	0	0	0	0	112.8	E32 T80 R82 D132 G134 Q135	E32-T34 PolarHBondContact O-N 2.92Å; T34-T80 VanDerWaalsContact C-OG1 3.32Å; T34-T80 WeakPolarHBondContact CA-OG1 3.45Å; T34-T80 WeakPolarHBondContact O-CB 3.38Å; T34-T80 WeakPolarHBondContact O-CG2 3.36Å; T34-T80 PolarHBondContact O-N 3.02Å; T34-T80 PolarHBondContact O-OG1 3.06Å; T34-R82 HydrophobicContact CG2-CB 4.01Å; T34-D132 PolarHBondContact N-OD2 3.15Å; T34-D132 PolarHBondContact OG1-OD1 3.1Å; T34-D132 PolarHBondContact OG1-OD2 3.5Å; T34-G134 WeakPolarHBondContact OG1-CA 3.29Å; T34-Q135 HydrophobicContact CG2-CG 3.51Å; T34-Q135 PolarHBondContact OG1-N 3.21Å
35	Y	96.9	Very high	80.3	Confident	6 Å²	6	71.3 Å²	71.3	2%	0.024	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167.3	179	75.4	-78.6	0	0	0	112.2	F37 L77 H78 D132 L133 D155 V161	Y35-F37 AromaticContact CD2-CD1 3.94Å; Y35-F37 HydrophobicContact CD2-CD1 3.94Å; Y35-F37 AromaticContact CD2-CE1 3.71Å; Y35-F37 HydrophobicContact CD2-CE1 3.71Å; Y35-F37 AromaticContact CE2-CD1 3.78Å; Y35-F37 HydrophobicContact CE2-CD1 3.78Å; Y35-F37 AromaticContact CE2-CE1 3.28Å; Y35-F37 HydrophobicContact CE2-CE1 3.28Å; Y35-F37 AromaticContact CE2-CZ 3.84Å; Y35-F37 HydrophobicContact CE2-CZ 3.84Å; Y35-L77 HydrophobicContact CD2-CD1 3.59Å; Y35-L77 HydrophobicContact CE2-CD1 4.41Å; Y35-L77 HydrophobicContact CG-CD1 4.06Å; Y35-H78 CarbonylContact C-O 3.59Å; Y35-H78 WeakPolarHBondContact CA-O 3.39Å; Y35-H78 WeakPolarHBondContact CB-O 3.41Å; Y35-D132 WeakPolarHBondContact CD1-OD2 3.46Å; Y35-D132 HydrophobicContact CE1-CB 4.04Å; Y35-L133 HydrophobicContact CE1-CB 3.79Å; Y35-D155 VanDerWaalsContact CE1-OD2 3.25Å; Y35-D155 WeakPolarHBondContact CE1-OD2 3.39Å; Y35-D155 VanDerWaalsContact CZ-OD2 3.26Å; Y35-D155 PolarHBondContact OH-OD2 2.69Å; Y35-V161 HydrophobicContact CD2-CG1 4.2Å; Y35-V161 HydrophobicContact CE2-CB 4.35Å; Y35-V161 HydrophobicContact CE2-CG1 3.74Å; Y35-V161 HydrophobicContact CE2-CG2 3.75Å; Y35-V161 WeakPolarHBondContact OH-CG2 3.28Å
36	A	96.5	Very high	79.9	Confident	34 Å²	34	68.6 Å²	68.6	28%	0.281	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.3	169.9	0	0	0	0	0	110.6	L38 H78	A36-L38 HydrophobicContact CB-CD2 4.41Å; A36-H78 PolarHBondContact N-O 3.42Å; A36-H78 PolarHBondContact O-N 3.47Å
37	F	95.5	Very high	79	Confident	16 Å²	16	68.3 Å²	68.3	7%	0.07	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118	165.4	-69.5	-5.4	0	0	0	108.6	Y35 W75 L77 V97 F98 F99 C110 V161	Y35-F37 AromaticContact CD2-CD1 3.94Å; Y35-F37 HydrophobicContact CD2-CD1 3.94Å; Y35-F37 AromaticContact CD2-CE1 3.71Å; Y35-F37 HydrophobicContact CD2-CE1 3.71Å; Y35-F37 AromaticContact CE2-CD1 3.78Å; Y35-F37 HydrophobicContact CE2-CD1 3.78Å; Y35-F37 AromaticContact CE2-CE1 3.28Å; Y35-F37 HydrophobicContact CE2-CE1 3.28Å; Y35-F37 AromaticContact CE2-CZ 3.84Å; Y35-F37 HydrophobicContact CE2-CZ 3.84Å; F37-W75 HydrophobicContact CB-CB 4.19Å; F37-W75 HydrophobicContact CB-CD2 4.2Å; F37-W75 HydrophobicContact CB-CE3 3.77Å; F37-W75 HydrophobicContact CB-CG 4.39Å; F37-W75 HydrophobicContact CG-CB 4.47Å; F37-L77 HydrophobicContact CD1-CD1 4.31Å; F37-L77 HydrophobicContact CE1-CD1 3.99Å; F37-V97 HydrophobicContact CD1-CB 3.92Å; F37-V97 HydrophobicContact CD1-CG1 4.3Å; F37-V97 HydrophobicContact CD1-CG2 3.82Å; F37-V97 HydrophobicContact CD2-CB 4.41Å; F37-V97 HydrophobicContact CE1-CB 3.42Å; F37-V97 VanDerWaalsContact CE1-CB 3.42Å; F37-V97 HydrophobicContact CE1-CG1 3.5Å; F37-V97 HydrophobicContact CE1-CG2 3.85Å; F37-V97 HydrophobicContact CE2-CB 3.99Å; F37-V97 HydrophobicContact CG-CB 4.42Å; F37-V97 HydrophobicContact CG-CG2 4.25Å; F37-V97 HydrophobicContact CZ-CB 3.49Å; F37-V97 VanDerWaalsContact CZ-CB 3.49Å; F37-V97 HydrophobicContact CZ-CG1 3.79Å; F37-V97 HydrophobicContact CZ-CG2 4.3Å; F37-F98 WeakPolarHBondContact CE2-O 3.39Å; F37-F99 HydrophobicContact CB-CE2 4.11Å; F37-F99 HydrophobicContact CB-CZ 4.11Å; F37-F99 HydrophobicContact CD2-CD1 4.27Å; F37-F99 HydrophobicContact CD2-CD2 4.11Å; F37-F99 AromaticContact CD2-CE1 3.85Å; F37-F99 HydrophobicContact CD2-CE1 3.85Å; F37-F99 AromaticContact CD2-CE2 3.63Å; F37-F99 HydrophobicContact CD2-CE2 3.63Å; F37-F99 HydrophobicContact CD2-CG 4.42Å; F37-F99 AromaticContact CD2-CZ 3.49Å; F37-F99 HydrophobicContact CD2-CZ 3.49Å; F37-F99 VanDerWaalsContact CD2-CZ 3.49Å; F37-F99 HydrophobicContact CE2-CD1 4.35Å; F37-F99 HydrophobicContact CE2-CE1 4.17Å; F37-F99 HydrophobicContact CE2-CZ 4.27Å; F37-F99 HydrophobicContact CG-CE2 4.37Å; F37-F99 HydrophobicContact CG-CZ 4.19Å; F37-C110 WeakPolarHBondContact CZ-O 3.43Å; F37-V161 HydrophobicContact CD2-CG2 4.02Å; F37-V161 HydrophobicContact CE2-CG2 3.94Å; F37-V161 HydrophobicContact CG-CG2 4.32Å; F37-V161 HydrophobicContact CZ-CG2 4.18Å
38	L	93.4	Very high	77.4	Confident	82 Å²	82	75.3 Å²	75.3	43%	0.429	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.8	175.9	-58.2	-177.4	0	0	0	109.2	A36 D40 W75 K76 H78	A36-L38 HydrophobicContact CB-CD2 4.41Å; L38-D40 PolarHBondContact O-N 3.35Å; L38-W75 CarbonylContact O-C 3.55Å; L38-W75 WeakPolarHBondContact O-CA 3.43Å; L38-K76 PolarHBondContact N-O 2.89Å; L38-K76 PolarHBondContact O-N 3.09Å; L38-H78 HydrophobicContact CD1-CB 3.71Å; L38-H78 HydrophobicContact CG-CB 3.92Å
39	P	90.1	Very high	75.1	Confident	93 Å²	93	78.3 Å²	78.3	60%	0.604	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	133.7	171.6	-22.4	33.1	0	0	0	109.9	P41 W75	P39-P41 VanDerWaalsContact O-CD 3.23Å; P39-P41 WeakPolarHBondContact O-CD 3.4Å; P39-W75 HydrophobicContact CG-CZ3 4.05Å
40	D	80.9	Confident	72.5	Confident	26 Å²	26	78.4 Å²	78.4	14%	0.139	49%	0.492	C	S	.	.			trans	-72.6	113.1	175.2	-172.2	-3.6	0	0	0	109.3	L38 E42 A43 K74 K76	L38-D40 PolarHBondContact O-N 3.35Å; D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 PolarHBondContact OD1-N 2.88Å; D40-A43 HydrophobicContact CB-CB 4.32Å; D40-A43 VanDerWaalsContact O-CB 3.29Å; D40-A43 WeakPolarHBondContact O-CB 3.39Å; D40-A43 PolarHBondContact O-N 2.95Å; D40-A43 VanDerWaalsContact O-N 3.13Å; D40-K74 HydrophobicContact CB-CB 3.75Å; D40-K74 WeakPolarHBondContact CB-O 3.46Å; D40-K74 PolarHBondContact N-O 3.06Å; D40-K76 HydrophobicContact CB-CD 4.27Å; D40-K76 HydrophobicContact CB-CG 4.07Å; D40-K76 VanDerWaalsContact CG-CE 3.42Å; D40-K76 WeakPolarHBondContact OD1-CD 3.29Å; D40-K76 WeakPolarHBondContact OD1-CE 3.2Å; D40-K76 IonicContact OD1-NZ 3.72Å; D40-K76 PolarHBondContact OD1-NZ 2.86Å; D40-K76 WeakPolarHBondContact OD2-CE 3.35Å; D40-K76 IonicContact OD2-NZ 3.87Å
41	P	67.6	Low	69.8	Low	120 Å²	120	81.4 Å²	81.4	78%	0.779	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.5	-177.7	28.1	-35.4	0	0	0	113.2	P39	P39-P41 VanDerWaalsContact O-CD 3.23Å; P39-P41 WeakPolarHBondContact O-CD 3.4Å
42	E	67.3	Low	67	Low	152 Å²	152	83.3 Å²	83.3	71%	0.71	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5.6	178.4	-62.9	176.2	156	0	0	112.5	D40 D44 K76	D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 PolarHBondContact OD1-N 2.88Å; E42-D44 PolarHBondContact O-N 2.93Å; E42-K76 IonicContact OE2-NZ 3.8Å; E42-K76 PolarHBondContact OE2-NZ 3.38Å
43	A	60	Low	64.3	Low	33 Å²	33	83.4 Å²	83.4	27%	0.273	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-66.6	119.5	174.2	0	0	0	0	0	110	D40 K74	D40-A43 HydrophobicContact CB-CB 4.32Å; D40-A43 VanDerWaalsContact O-CB 3.29Å; D40-A43 WeakPolarHBondContact O-CB 3.39Å; D40-A43 PolarHBondContact O-N 2.95Å; D40-A43 VanDerWaalsContact O-N 3.13Å; A43-K74 HydrophobicContact CB-CB 3.89Å; A43-K74 HydrophobicContact CB-CD 4.04Å; A43-K74 HydrophobicContact CB-CG 4.17Å
44	D	51.9	Low	61.3	Low	139 Å²	139	86.4 Å²	86.4	74%	0.743	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-49.1	134.4	169.4	-74.6	-45.2	0	0	0	109.4	E42	E42-D44 PolarHBondContact O-N 2.93Å
45	P	48.1	Very low	58.2	Low	109 Å²	109	92 Å²	92	71%	0.708	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-56.6	142.7	174.5	22.9	-30.7	0	0	0	108.7	A47	P45-A47 PolarHBondContact O-N 3.42Å; P45-A47 VanDerWaalsContact O-N 3.13Å
46	P	45.5	Very low	55.1	Low	109 Å²	109	100.3 Å²	100.3	71%	0.708	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-53.9	127.7	179.2	20.7	-30.5	0	0	0	108.7	L48	P46-L48 PolarHBondContact O-N 3.44Å
47	A	41	Very low	52	Low	102 Å²	102	110.5 Å²	110.5	84%	0.843	68%	0.684	S	S	*	*			trans	-53.3	106.3	-178.9	0	0	0	0	0	109.1	P45 G49	P45-A47 PolarHBondContact O-N 3.42Å; P45-A47 VanDerWaalsContact O-N 3.13Å; A47-G49 VanDerWaalsContact C-N 3.33Å; A47-G49 PolarHBondContact O-N 3.28Å
48	L	39.9	Very low	49.1	Very low	175 Å²	175	114.9 Å²	114.9	92%	0.916	72%	0.717	S	S	*	*			trans	-64.7	99.6	170	-82	160.4	0	0	0	106.4	P46 A50	P46-L48 PolarHBondContact O-N 3.44Å; L48-A50 PolarHBondContact O-N 2.98Å
49	G	38.8	Very low	46.2	Very low	69 Å²	69	122.8 Å²	122.8	71%	0.711	74%	0.741	S	S	*	*			trans	-52.6	116.7	174.2	0	0	0	0	0	109.3	A47 S51	A47-G49 VanDerWaalsContact C-N 3.33Å; A47-G49 PolarHBondContact O-N 3.28Å; G49-S51 PolarHBondContact O-N 3.05Å
50	A	37.8	Very low	43.4	Very low	102 Å²	102	124.2 Å²	124.2	84%	0.843	75%	0.753	S	S	*	*			trans	-57	109.2	171.9	0	0	0	0	0	108.8	L48 G52	L48-A50 PolarHBondContact O-N 2.98Å; A50-G52 VanDerWaalsContact C-N 3.33Å; A50-G52 PolarHBondContact O-N 3.01Å
51	S	36.2	Very low	40.9	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	78%	0.781	S	S	*	*			trans	-75.5	89.9	171	46.2	0	0	0	0	108.9	G49 T53	G49-S51 PolarHBondContact O-N 3.05Å; S51-T53 PolarHBondContact O-N 3.41Å
52	G	32.5	Very low	39.1	Very low	71 Å²	71	125.9 Å²	125.9	73%	0.732	79%	0.787	S	S	*	*			trans	-60.2	126.7	163	0	0	0	0	0	110.1	A50 S54	A50-G52 VanDerWaalsContact C-N 3.33Å; A50-G52 PolarHBondContact O-N 3.01Å; G52-S54 PolarHBondContact O-N 3.25Å
53	T	38.8	Very low	37.2	Very low	142 Å²	142	123.4 Å²	123.4	87%	0.871	79%	0.787	S	S	*	*			trans	-63.6	120.2	173.3	46.8	0	0	0	0	111.6	S51	S51-T53 PolarHBondContact O-N 3.41Å
54	S	32.1	Very low	35.8	Very low	114 Å²	114	129 Å²	129	80%	0.797	82%	0.817	S	S	*	*			trans	-160.2	114.3	146.8	70	0	0	0	0	113.2	G52	G52-S54 PolarHBondContact O-N 3.25Å
55	S	31.3	Very low	34.7	Very low	122 Å²	122	127.4 Å²	127.4	85%	0.853	82%	0.817	S	S	*	*			trans	31.7	132.4	142.6	-159.7	0	0	0	0	122.1
56	M	32.6	Very low	33.7	Very low	180 Å²	180	125.8 Å²	125.8	89%	0.887	82%	0.821	S	S	*	*			trans	-47.4	141.3	171	-67.1	172.1	160.6	0	0	116
57	R	31.3	Very low	32.8	Very low	248 Å²	248	124.1 Å²	124.1	94%	0.936	82%	0.823	S	S	*	*				-161.9	137.1	123.4	-109.4	173.2	-175.8	-148.6	0.9	112
58	S	33.7	Very low	32.7	Very low	108 Å²	108	124.3 Å²	124.3	76%	0.755	83%	0.825	S	S	*	*			trans	-74.3	144.5	-176.8	50.1	0	0	0	0	113.2
59	R	31.7	Very low	32.5	Very low	248 Å²	248	119.4 Å²	119.4	94%	0.936	82%	0.817	S	S	*	*			trans	-169.8	138.9	133	-104.7	167.9	-176.7	-164.3	0.5	111.7
60	S	32.6	Very low	32.4	Very low	122 Å²	122	119.2 Å²	119.2	85%	0.853	81%	0.814	S	S	*	*			trans	-66.3	135.6	-176.4	48.6	0	0	0	0	114.2
61	G	28.1	Very low	32.6	Very low	71 Å²	71	120.9 Å²	120.9	73%	0.732	81%	0.814	S	S	*	*			trans	-171.2	103	165	0	0	0	0	0	109.6	S63	G61-S63 PolarHBondContact O-N 3.39Å
62	A	30.7	Very low	33.7	Very low	110 Å²	110	122.4 Å²	122.4	91%	0.909	81%	0.808	S	S	*	*			trans	-76.2	107.5	179.9	0	0	0	0	0	110.2
63	S	26.6	Very low	35.3	Very low	101 Å²	101	120.8 Å²	120.8	71%	0.706	79%	0.792	S	S	*	*			trans	-121.6	103.1	160.9	60	0	0	0	0	107.8	G61 S65	G61-S63 PolarHBondContact O-N 3.39Å; S63-S65 VanDerWaalsContact C-N 3.29Å; S63-S65 PolarHBondContact O-N 2.95Å
64	V	29.4	Very low	37.5	Very low	149 Å²	149	120 Å²	120	90%	0.903	78%	0.776	S	S	*	*			trans	-75.5	88	172.3	-178.8	0	0	0	0	107.4
65	S	29.4	Very low	40.5	Very low	106 Å²	106	118.4 Å²	118.4	74%	0.741	75%	0.752	S	S	*	*			trans	-92.1	103	160	50.1	0	0	0	0	107.2	S63 G67	S63-S65 VanDerWaalsContact C-N 3.29Å; S63-S65 PolarHBondContact O-N 2.95Å; S65-G67 VanDerWaalsContact C-N 3.28Å; S65-G67 PolarHBondContact O-N 3.12Å
66	G	27	Very low	43.4	Very low	76 Å²	76	116.5 Å²	116.5	78%	0.784	73%	0.729	S	S	*	*			trans	-71.8	85.4	172.1	0	0	0	0	0	109.5	A68	G66-A68 PolarHBondContact O-N 3.12Å; G66-A68 VanDerWaalsContact O-N 3.16Å
67	G	28.1	Very low	46.4	Very low	74 Å²	74	109 Å²	109	76%	0.763	69%	0.692	S	S	*	*			trans	-62.5	110.7	169.8	0	0	0	0	0	110	S65 G69	S65-G67 VanDerWaalsContact C-N 3.28Å; S65-G67 PolarHBondContact O-N 3.12Å; G67-G69 PolarHBondContact O-N 3.17Å
68	A	37.5	Very low	49.4	Very low	106 Å²	106	102 Å²	102	88%	0.876	67%	0.67	S	S	*	*			trans	-74.6	72.7	167.9	0	0	0	0	0	109.2	G66	G66-A68 PolarHBondContact O-N 3.12Å; G66-A68 VanDerWaalsContact O-N 3.16Å
69	G	36	Very low	52.2	Low	72 Å²	72	98.1 Å²	98.1	74%	0.742	64%	0.641	S	S	*	*			trans	-99.3	73.3	171	0	0	0	0	0	110	G67	G67-G69 PolarHBondContact O-N 3.17Å
70	G	36	Very low	55.1	Low	64 Å²	64	88.5 Å²	88.5	66%	0.66	61%	0.61	S	S	*	*			trans	-75.1	126.9	165.4	0	0	0	0	0	108.8	E72	G70-E72 PolarHBondContact O-N 3.16Å
71	V	42.5	Very low	57.7	Low	138 Å²	138	90.7 Å²	90.7	84%	0.836	61%	0.612	S	S	*	*			trans	-51.9	107.8	-178	-177.6	0	0	0	0	110.5	G73	V71-G73 PolarHBondContact O-N 3.05Å; V71-G73 VanDerWaalsContact O-N 3.15Å
72	E	59.7	Low	60.4	Low	148 Å²	148	93.5 Å²	93.5	69%	0.692	60%	0.6	S	S	*	*			trans	-75.5	95.7	176.5	-74.6	-169	167.1	0	0	109.6	G70 R185	G70-E72 PolarHBondContact O-N 3.16Å; E72-R185 IonicContact OE1-NH1 2.74Å; E72-R185 PolarHBondContact OE1-NH1 3.12Å; E72-R185 IonicContact OE2-NH1 3.62Å; E72-R185 PolarHBondContact OE2-NH1 2.98Å
73	G	65.9	Low	63.1	Low	38 Å²	38	88.4 Å²	88.4	39%	0.392	56%	0.558	S	S	.	*			trans	-71.6	143.2	156.4	0	0	0	0	0	109.4	V71 W75	V71-G73 PolarHBondContact O-N 3.05Å; V71-G73 VanDerWaalsContact O-N 3.15Å; G73-W75 PolarHBondContact O-NE1 3.18Å
74	K	86	Confident	65.8	Low	125 Å²	125	91.3 Å²	91.3	54%	0.543	56%	0.56	S	S	.	*			trans	-68.9	137.2	161.3	-70.9	-177.5	178.9	177.6	0	108.1	D40 A43	D40-K74 HydrophobicContact CB-CB 3.75Å; D40-K74 WeakPolarHBondContact CB-O 3.46Å; D40-K74 PolarHBondContact N-O 3.06Å; A43-K74 HydrophobicContact CB-CB 3.89Å; A43-K74 HydrophobicContact CB-CD 4.04Å; A43-K74 HydrophobicContact CB-CG 4.17Å
75	W	93.3	Very high	68.5	Low	80 Å²	80	86.6 Å²	86.6	30%	0.303	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143	-179.7	-58.1	90.2	0	0	0	109.3	F37 L38 P39 G73 V97 F99	F37-W75 HydrophobicContact CB-CB 4.19Å; F37-W75 HydrophobicContact CB-CD2 4.2Å; F37-W75 HydrophobicContact CB-CE3 3.77Å; F37-W75 HydrophobicContact CB-CG 4.39Å; F37-W75 HydrophobicContact CG-CB 4.47Å; L38-W75 CarbonylContact O-C 3.55Å; L38-W75 WeakPolarHBondContact O-CA 3.43Å; P39-W75 HydrophobicContact CG-CZ3 4.05Å; G73-W75 PolarHBondContact O-NE1 3.18Å; W75-V97 HydrophobicContact CB-CG2 3.99Å; W75-V97 WeakPolarHBondContact O-CG2 3.33Å; W75-F99 HydrophobicContact CD2-CD2 4.22Å; W75-F99 HydrophobicContact CD2-CE2 4.01Å; W75-F99 AromaticContact CE2-CD2 3.71Å; W75-F99 AromaticContact CE2-CE2 3.84Å; W75-F99 HydrophobicContact CE3-CE2 4.17Å; W75-F99 HydrophobicContact CH2-CE2 4.06Å; W75-F99 AromaticContact CZ2-CD2 3.9Å; W75-F99 HydrophobicContact CZ2-CD2 3.9Å; W75-F99 AromaticContact CZ2-CE2 3.88Å; W75-F99 HydrophobicContact CZ2-CE2 3.88Å; W75-F99 HydrophobicContact CZ3-CE2 4.19Å; W75-F99 AromaticContact NE1-CD2 3.85Å
76	K	92.9	Very high	71.2	Confident	82 Å²	82	89.3 Å²	89.3	36%	0.357	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.2	169.2	-79	179.2	166.3	152.8	0	109.6	L38 D40 E42	L38-K76 PolarHBondContact N-O 2.89Å; L38-K76 PolarHBondContact O-N 3.09Å; D40-K76 HydrophobicContact CB-CD 4.27Å; D40-K76 HydrophobicContact CB-CG 4.07Å; D40-K76 VanDerWaalsContact CG-CE 3.42Å; D40-K76 WeakPolarHBondContact OD1-CD 3.29Å; D40-K76 WeakPolarHBondContact OD1-CE 3.2Å; D40-K76 IonicContact OD1-NZ 3.72Å; D40-K76 PolarHBondContact OD1-NZ 2.86Å; D40-K76 WeakPolarHBondContact OD2-CE 3.35Å; D40-K76 IonicContact OD2-NZ 3.87Å; E42-K76 IonicContact OE2-NZ 3.8Å; E42-K76 PolarHBondContact OE2-NZ 3.38Å
77	L	94.9	Very high	74	Confident	23 Å²	23	89.1 Å²	89.1	12%	0.12	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.9	174.1	179.4	66	0	0	0	109	Y35 F37 L79 L92 V95 V97 M111	Y35-L77 HydrophobicContact CD2-CD1 3.59Å; Y35-L77 HydrophobicContact CE2-CD1 4.41Å; Y35-L77 HydrophobicContact CG-CD1 4.06Å; F37-L77 HydrophobicContact CD1-CD1 4.31Å; F37-L77 HydrophobicContact CE1-CD1 3.99Å; L77-L79 HydrophobicContact CD1-CD2 3.91Å; L77-L79 HydrophobicContact CD2-CD2 3.95Å; L77-L79 HydrophobicContact CD2-CG 4.29Å; L77-L79 HydrophobicContact CG-CD2 3.89Å; L77-L79 HydrophobicContact CG-CG 4.26Å; L77-L92 HydrophobicContact CD2-CD2 3.97Å; L77-V95 HydrophobicContact CD2-CB 4.36Å; L77-V95 HydrophobicContact CD2-CG1 4.07Å; L77-V97 HydrophobicContact CB-CG1 3.98Å; L77-V97 HydrophobicContact CB-CG2 4.11Å; L77-V97 HydrophobicContact CD1-CG1 4.22Å; L77-M111 HydrophobicContact CD1-CE 4.09Å; L77-M111 HydrophobicContact CD2-CE 3.7Å
78	H	94.3	Very high	76.7	Confident	100 Å²	100	89.8 Å²	89.8	46%	0.463	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.9	171.9	-176.9	73.2	0	0	0	109.2	Y35 A36 L38	Y35-H78 CarbonylContact C-O 3.59Å; Y35-H78 WeakPolarHBondContact CA-O 3.39Å; Y35-H78 WeakPolarHBondContact CB-O 3.41Å; A36-H78 PolarHBondContact N-O 3.42Å; A36-H78 PolarHBondContact O-N 3.47Å; L38-H78 HydrophobicContact CD1-CB 3.71Å; L38-H78 HydrophobicContact CG-CB 3.92Å
79	L	94.4	Very high	79	Confident	27 Å²	27	90.3 Å²	90.3	14%	0.141	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.7	176.8	-61.2	-172.7	0	0	0	110.7	L77 A83 F85 L92	L77-L79 HydrophobicContact CD1-CD2 3.91Å; L77-L79 HydrophobicContact CD2-CD2 3.95Å; L77-L79 HydrophobicContact CD2-CG 4.29Å; L77-L79 HydrophobicContact CG-CD2 3.89Å; L77-L79 HydrophobicContact CG-CG 4.26Å; L79-A83 HydrophobicContact CB-CB 4.01Å; L79-A83 HydrophobicContact CD1-CB 4.16Å; L79-A83 HydrophobicContact CD2-CB 4.11Å; L79-A83 HydrophobicContact CG-CB 4.33Å; L79-F85 HydrophobicContact CD1-CB 3.66Å; L79-F85 HydrophobicContact CD1-CD1 4.38Å; L79-F85 HydrophobicContact CD1-CD2 3.41Å; L79-F85 VanDerWaalsContact CD1-CD2 3.41Å; L79-F85 HydrophobicContact CD1-CE2 4.13Å; L79-F85 HydrophobicContact CD1-CG 3.56Å; L79-L92 HydrophobicContact CD1-CD1 4.44Å; L79-L92 HydrophobicContact CD1-CD2 3.56Å; L79-L92 HydrophobicContact CG-CD2 4.1Å
80	T	92.5	Very high	81.3	Confident	47 Å²	47	96.4 Å²	96.4	29%	0.288	48%	0.476	S	S	.	.			trans	-88.3	164.9	166.9	71.2	0	0	0	0	109.8	T34 R82 A83	T34-T80 VanDerWaalsContact C-OG1 3.32Å; T34-T80 WeakPolarHBondContact CA-OG1 3.45Å; T34-T80 WeakPolarHBondContact O-CB 3.38Å; T34-T80 WeakPolarHBondContact O-CG2 3.36Å; T34-T80 PolarHBondContact O-N 3.02Å; T34-T80 PolarHBondContact O-OG1 3.06Å; T80-R82 PolarHBondContact O-N 3.48Å; T80-R82 PolarHBondContact OG1-N 3.26Å; T80-A83 WeakPolarHBondContact O-CB 3.42Å; T80-A83 PolarHBondContact O-N 3.02Å
81	D	86.7	Confident	83.8	Confident	167 Å²	167	96 Å²	96	89%	0.893	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-56.8	-21.9	176.4	-59.2	-23.7	0	0	0	113.4	A83	D81-A83 VanDerWaalsContact C-N 3.26Å; D81-A83 PolarHBondContact O-N 3.47Å
82	R	84.9	Confident	85.8	Confident	130 Å²	130	90.4 Å²	90.4	49%	0.491	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-73.7	-11.6	177.6	-62	-174.7	-71.1	-174.1	2.3	114.2	P33 T34 T80 E84	P33-R82 PolarHBondContact O-NH2 3.43Å; T34-R82 HydrophobicContact CG2-CB 4.01Å; T80-R82 PolarHBondContact O-N 3.48Å; T80-R82 PolarHBondContact OG1-N 3.26Å; R82-E84 PolarHBondContact O-N 2.8Å
83	A	86.4	Confident	87	Confident	3 Å²	3	88.3 Å²	88.3	3%	0.025	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-77.1	-10.9	177.7	0	0	0	0	0	112.9	L79 T80 D81 F85	L79-A83 HydrophobicContact CB-CB 4.01Å; L79-A83 HydrophobicContact CD1-CB 4.16Å; L79-A83 HydrophobicContact CD2-CB 4.11Å; L79-A83 HydrophobicContact CG-CB 4.33Å; T80-A83 WeakPolarHBondContact O-CB 3.42Å; T80-A83 PolarHBondContact O-N 3.02Å; D81-A83 VanDerWaalsContact C-N 3.26Å; D81-A83 PolarHBondContact O-N 3.47Å; A83-F85 VanDerWaalsContact C-N 3.25Å; A83-F85 PolarHBondContact O-N 3.13Å
84	E	83.8	Confident	88	Confident	162 Å²	162	93.6 Å²	93.6	76%	0.757	43%	0.432	S	S	*	.			trans	49.9	43.6	179.1	-60.8	-173.8	176.5	0	0	113.2	R82	R82-E84 PolarHBondContact O-N 2.8Å
85	F	86.3	Confident	88.4	Confident	50 Å²	50	88.1 Å²	88.1	22%	0.219	41%	0.409	C	S	.	.			trans	-70	132.3	-172.6	-167.8	-106.5	0	0	0	113.2	L79 A83 Y87 L92 S137 S138 I141	L79-F85 HydrophobicContact CD1-CB 3.66Å; L79-F85 HydrophobicContact CD1-CD1 4.38Å; L79-F85 HydrophobicContact CD1-CD2 3.41Å; L79-F85 VanDerWaalsContact CD1-CD2 3.41Å; L79-F85 HydrophobicContact CD1-CE2 4.13Å; L79-F85 HydrophobicContact CD1-CG 3.56Å; A83-F85 VanDerWaalsContact C-N 3.25Å; A83-F85 PolarHBondContact O-N 3.13Å; F85-Y87 VanDerWaalsContact CD1-O 3.3Å; F85-Y87 WeakPolarHBondContact CD1-O 3.37Å; F85-Y87 WeakPolarHBondContact CE1-O 3.45Å; F85-Y87 HydrophobicContact CE2-CD2 4.32Å; F85-Y87 HydrophobicContact CZ-CD2 4.2Å; F85-Y87 HydrophobicContact CZ-CG 4.31Å; F85-L92 HydrophobicContact CD1-CD1 3.69Å; F85-L92 HydrophobicContact CD1-CD2 4.27Å; F85-L92 HydrophobicContact CD1-CG 4.01Å; F85-L92 HydrophobicContact CD2-CD2 4.1Å; F85-L92 HydrophobicContact CE1-CD1 3.42Å; F85-L92 VanDerWaalsContact CE1-CD1 3.42Å; F85-L92 HydrophobicContact CE1-CD2 3.76Å; F85-L92 HydrophobicContact CE1-CG 3.29Å; F85-L92 HydrophobicContact CE2-CD2 3.59Å; F85-L92 HydrophobicContact CE2-CG 4.07Å; F85-L92 HydrophobicContact CG-CD1 4.42Å; F85-L92 HydrophobicContact CG-CD2 4.41Å; F85-L92 HydrophobicContact CZ-CD1 3.98Å; F85-L92 HydrophobicContact CZ-CD2 3.38Å; F85-L92 HydrophobicContact CZ-CG 3.31Å; F85-S137 WeakPolarHBondContact CD2-OG 3.41Å; F85-S138 WeakPolarHBondContact CA-OG 3.43Å; F85-S138 WeakPolarHBondContact CD2-OG 3.46Å; F85-I141 HydrophobicContact CE2-CD1 3.89Å; F85-I141 HydrophobicContact CZ-CD1 3.82Å
86	Q	86.1	Confident	88.5	Confident	164 Å²	164	86.9 Å²	86.9	77%	0.766	41%	0.407	S	S	*	.			trans	-107.1	-8.4	-170.3	-62.9	-177.1	-11.5	0	0	114.8	S138	Q86-S138 PolarHBondContact N-OG 2.96Å; Q86-S138 VanDerWaalsContact N-OG 3.1Å
87	Y	85.4	Confident	88.7	Confident	71 Å²	71	83.3 Å²	83.3	28%	0.278	39%	0.392	S	S	.	.	S	Bend	trans	-103.8	176	-176.4	-63.4	-96.8	0	0	0	112	F85 D91 S138 I141 G142	F85-Y87 VanDerWaalsContact CD1-O 3.3Å; F85-Y87 WeakPolarHBondContact CD1-O 3.37Å; F85-Y87 WeakPolarHBondContact CE1-O 3.45Å; F85-Y87 HydrophobicContact CE2-CD2 4.32Å; F85-Y87 HydrophobicContact CZ-CD2 4.2Å; F85-Y87 HydrophobicContact CZ-CG 4.31Å; Y87-D91 WeakPolarHBondContact CB-OD2 3.46Å; Y87-D91 HydrophobicContact CG-CB 4.47Å; Y87-S138 VanDerWaalsContact CE2-O 3.22Å; Y87-S138 WeakPolarHBondContact CE2-O 3.36Å; Y87-I141 HydrophobicContact CD1-CG2 3.99Å; Y87-I141 HydrophobicContact CD2-CB 4.43Å; Y87-I141 HydrophobicContact CD2-CD1 4.46Å; Y87-I141 HydrophobicContact CD2-CG2 4.33Å; Y87-I141 HydrophobicContact CE1-CG2 3.84Å; Y87-I141 HydrophobicContact CE2-CB 4.21Å; Y87-I141 HydrophobicContact CE2-CG2 4.2Å; Y87-I141 HydrophobicContact CG-CG2 4.24Å; Y87-G142 WeakPolarHBondContact OH-CA 3.38Å; Y87-G142 PolarHBondContact OH-N 2.81Å
88	N	85.9	Confident	88.8	Confident	89 Å²	89	82.9 Å²	82.9	48%	0.476	39%	0.389	S	S	.	.			trans	-84.8	169.6	179.3	67.3	63	0	0	0	111.5	R90 D91 L92	N88-R90 PolarHBondContact O-N 2.92Å; N88-R90 VanDerWaalsContact OD1-CA 3.31Å; N88-R90 WeakPolarHBondContact OD1-CA 3.47Å; N88-R90 WeakPolarHBondContact OD1-CB 3.41Å; N88-R90 PolarHBondContact OD1-N 3.47Å; N88-D91 PolarHBondContact N-OD2 2.89Å; N88-D91 PolarHBondContact ND2-OD2 3.45Å; N88-D91 PolarHBondContact O-N 2.91Å; N88-D91 VanDerWaalsContact O-N 3.16Å; N88-D91 PolarHBondContact OD1-N 2.8Å; N88-D91 VanDerWaalsContact OD1-N 3.1Å; N88-D91 PolarHBondContact OD1-OD2 3Å; N88-L92 PolarHBondContact O-N 3.47Å
89	Q	84.4	Confident	89	Confident	117 Å²	117	80.5 Å²	80.5	55%	0.547	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-32.9	-179.8	-172.9	59.1	49.6	0	0	113.2	D91 L92 D93	Q89-D91 VanDerWaalsContact C-N 3.31Å; Q89-D91 PolarHBondContact O-N 3.33Å; Q89-L92 WeakPolarHBondContact O-CB 3.47Å; Q89-L92 PolarHBondContact O-N 3.42Å; Q89-L92 VanDerWaalsContact O-N 3.13Å; Q89-D93 PolarHBondContact NE2-OD1 2.9Å; Q89-D93 PolarHBondContact O-N 3.13Å
90	R	85.4	Confident	89.2	Confident	199 Å²	199	80.3 Å²	80.3	75%	0.751	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-38.9	179.4	-139.2	-176.6	-155.2	170.3	5.1	111.4	N88 L92 D93 E94	N88-R90 PolarHBondContact O-N 2.92Å; N88-R90 VanDerWaalsContact OD1-CA 3.31Å; N88-R90 WeakPolarHBondContact OD1-CA 3.47Å; N88-R90 WeakPolarHBondContact OD1-CB 3.41Å; N88-R90 PolarHBondContact OD1-N 3.47Å; R90-L92 VanDerWaalsContact C-N 3.29Å; R90-L92 PolarHBondContact O-N 2.87Å; R90-D93 PolarHBondContact O-N 3.36Å; R90-E94 WeakPolarHBondContact O-CG 3.32Å; R90-E94 PolarHBondContact O-N 3.44Å
91	D	86.9	Confident	89.4	Confident	56 Å²	56	86.4 Å²	86.4	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-66.2	-33.8	175.4	-59.6	-51.3	0	0	0	111.4	Y87 N88 Q89 V95 I141	Y87-D91 WeakPolarHBondContact CB-OD2 3.46Å; Y87-D91 HydrophobicContact CG-CB 4.47Å; N88-D91 PolarHBondContact N-OD2 2.89Å; N88-D91 PolarHBondContact ND2-OD2 3.45Å; N88-D91 PolarHBondContact O-N 2.91Å; N88-D91 VanDerWaalsContact O-N 3.16Å; N88-D91 PolarHBondContact OD1-N 2.8Å; N88-D91 VanDerWaalsContact OD1-N 3.1Å; N88-D91 PolarHBondContact OD1-OD2 3Å; Q89-D91 VanDerWaalsContact C-N 3.31Å; Q89-D91 PolarHBondContact O-N 3.33Å; D91-V95 WeakPolarHBondContact O-CG2 3.41Å; D91-I141 HydrophobicContact CB-CD1 4.36Å
92	L	85.8	Confident	90	Very high	21 Å²	21	78.7 Å²	78.7	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-68.7	-39.6	173.3	-78.3	164.3	0	0	0	112.9	L77 L79 F85 N88 Q89 R90 E94 V95	L77-L92 HydrophobicContact CD2-CD2 3.97Å; L79-L92 HydrophobicContact CD1-CD1 4.44Å; L79-L92 HydrophobicContact CD1-CD2 3.56Å; L79-L92 HydrophobicContact CG-CD2 4.1Å; F85-L92 HydrophobicContact CD1-CD1 3.69Å; F85-L92 HydrophobicContact CD1-CD2 4.27Å; F85-L92 HydrophobicContact CD1-CG 4.01Å; F85-L92 HydrophobicContact CD2-CD2 4.1Å; F85-L92 HydrophobicContact CE1-CD1 3.42Å; F85-L92 VanDerWaalsContact CE1-CD1 3.42Å; F85-L92 HydrophobicContact CE1-CD2 3.76Å; F85-L92 HydrophobicContact CE1-CG 3.29Å; F85-L92 HydrophobicContact CE2-CD2 3.59Å; F85-L92 HydrophobicContact CE2-CG 4.07Å; F85-L92 HydrophobicContact CG-CD1 4.42Å; F85-L92 HydrophobicContact CG-CD2 4.41Å; F85-L92 HydrophobicContact CZ-CD1 3.98Å; F85-L92 HydrophobicContact CZ-CD2 3.38Å; F85-L92 HydrophobicContact CZ-CG 3.31Å; N88-L92 PolarHBondContact O-N 3.47Å; Q89-L92 WeakPolarHBondContact O-CB 3.47Å; Q89-L92 PolarHBondContact O-N 3.42Å; Q89-L92 VanDerWaalsContact O-N 3.13Å; R90-L92 VanDerWaalsContact C-N 3.29Å; R90-L92 PolarHBondContact O-N 2.87Å; L92-E94 PolarHBondContact O-N 2.9Å; L92-V95 VanDerWaalsContact O-CB 3.28Å; L92-V95 WeakPolarHBondContact O-CB 3.32Å; L92-V95 WeakPolarHBondContact O-CG2 3.3Å; L92-V95 PolarHBondContact O-N 3.22Å
93	D	85.6	Confident	90.6	Very high	104 Å²	104	77.6 Å²	77.6	56%	0.556	37%	0.367	S	S	*	.	H	α-helix	trans	-66.3	-23.4	-176.8	-64.2	-22.5	0	0	0	112.1	Q89 R90 V95	Q89-D93 PolarHBondContact NE2-OD1 2.9Å; Q89-D93 PolarHBondContact O-N 3.13Å; R90-D93 PolarHBondContact O-N 3.36Å; D93-V95 VanDerWaalsContact C-N 3.29Å
94	E	86.9	Confident	91.1	Very high	148 Å²	148	84.1 Å²	84.1	69%	0.692	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.2	174.3	-62.9	-63.8	146	0	0	113.3	R90 L92 E96	R90-E94 WeakPolarHBondContact O-CG 3.32Å; R90-E94 PolarHBondContact O-N 3.44Å; L92-E94 PolarHBondContact O-N 2.9Å; E94-E96 PolarHBondContact O-N 3.15Å
95	V	93.8	Very high	91.8	Very high	10 Å²	10	77.8 Å²	77.8	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108	176.7	-173.9	0	0	0	0	109.7	L77 D91 L92 D93 V97 M111 I113 I141	L77-V95 HydrophobicContact CD2-CB 4.36Å; L77-V95 HydrophobicContact CD2-CG1 4.07Å; D91-V95 WeakPolarHBondContact O-CG2 3.41Å; L92-V95 VanDerWaalsContact O-CB 3.28Å; L92-V95 WeakPolarHBondContact O-CB 3.32Å; L92-V95 WeakPolarHBondContact O-CG2 3.3Å; L92-V95 PolarHBondContact O-N 3.22Å; D93-V95 VanDerWaalsContact C-N 3.29Å; V95-V97 HydrophobicContact CG1-CG1 4.19Å; V95-M111 HydrophobicContact CG1-CE 4.1Å; V95-M111 HydrophobicContact CG1-CG 3.41Å; V95-M111 VanDerWaalsContact CG1-CG 3.41Å; V95-M111 HydrophobicContact CG1-SD 3.88Å; V95-I113 HydrophobicContact CG1-CG1 4Å; V95-I113 HydrophobicContact CG2-CG1 4.07Å; V95-I141 HydrophobicContact CG2-CD1 4.15Å
96	E	95.6	Very high	92.3	Very high	55 Å²	55	76.5 Å²	76.5	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.7	174.1	-176	176.3	171.3	0	0	109.8	E94 M111 Y112 R114 R185 Y186	E94-E96 PolarHBondContact O-N 3.15Å; E96-M111 CarbonylContact O-C 3.6Å; E96-M111 WeakPolarHBondContact O-CA 3.46Å; E96-Y112 PolarHBondContact N-O 3.37Å; E96-Y112 PolarHBondContact O-N 3.19Å; E96-R114 IonicContact OE2-NH2 3.19Å; E96-R185 IonicContact OE1-CZ 3.63Å; E96-R185 IonicContact OE1-NE 3.28Å; E96-R185 PolarHBondContact OE1-NE 3.43Å; E96-R185 IonicContact OE1-NH2 3.6Å; E96-R185 PolarHBondContact OE1-NH2 3.12Å; E96-Y186 PolarHBondContact OE1-OH 3.47Å; E96-Y186 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y186 PolarHBondContact OE2-OH 2.95Å
97	V	97.3	Very high	92.9	Very high	6 Å²	6	74 Å²	74	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.8	175.7	-68.2	0	0	0	0	111.7	F37 W75 L77 V95 C110 M111	F37-V97 HydrophobicContact CD1-CB 3.92Å; F37-V97 HydrophobicContact CD1-CG1 4.3Å; F37-V97 HydrophobicContact CD1-CG2 3.82Å; F37-V97 HydrophobicContact CD2-CB 4.41Å; F37-V97 HydrophobicContact CE1-CB 3.42Å; F37-V97 VanDerWaalsContact CE1-CB 3.42Å; F37-V97 HydrophobicContact CE1-CG1 3.5Å; F37-V97 HydrophobicContact CE1-CG2 3.85Å; F37-V97 HydrophobicContact CE2-CB 3.99Å; F37-V97 HydrophobicContact CG-CB 4.42Å; F37-V97 HydrophobicContact CG-CG2 4.25Å; F37-V97 HydrophobicContact CZ-CB 3.49Å; F37-V97 VanDerWaalsContact CZ-CB 3.49Å; F37-V97 HydrophobicContact CZ-CG1 3.79Å; F37-V97 HydrophobicContact CZ-CG2 4.3Å; W75-V97 HydrophobicContact CB-CG2 3.99Å; W75-V97 WeakPolarHBondContact O-CG2 3.33Å; L77-V97 HydrophobicContact CB-CG1 3.98Å; L77-V97 HydrophobicContact CB-CG2 4.11Å; L77-V97 HydrophobicContact CD1-CG1 4.22Å; V95-V97 HydrophobicContact CG1-CG1 4.19Å; V97-C110 WeakPolarHBondContact CA-O 3.31Å; V97-M111 HydrophobicContact CG1-CB 4.35Å; V97-M111 HydrophobicContact CG1-CE 4.5Å; V97-M111 HydrophobicContact CG1-CG 4.41Å
98	F	97.4	Very high	93.5	Very high	15 Å²	15	70.6 Å²	70.6	7%	0.066	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	171	-179.9	68.2	-78.4	0	0	0	111	F37 C110 F152 A181 Y186	F37-F98 WeakPolarHBondContact CE2-O 3.39Å; F98-C110 HydrophobicContact CD1-CB 4.08Å; F98-C110 HydrophobicContact CD2-CB 4.48Å; F98-C110 HydrophobicContact CE1-CB 3.64Å; F98-C110 HydrophobicContact CE2-CB 4.11Å; F98-C110 HydrophobicContact CG-CB 4.46Å; F98-C110 HydrophobicContact CZ-CB 3.67Å; F98-C110 PolarHBondContact N-O 3.22Å; F98-C110 VanDerWaalsContact N-O 3.13Å; F98-C110 PolarHBondContact O-N 2.93Å; F98-F152 AromaticContact CE1-CE2 3.73Å; F98-F152 HydrophobicContact CE1-CE2 3.73Å; F98-F152 HydrophobicContact CE1-CZ 4.25Å; F98-F152 AromaticContact CZ-CE2 3.6Å; F98-F152 HydrophobicContact CZ-CE2 3.6Å; F98-F152 AromaticContact CZ-CZ 3.83Å; F98-F152 HydrophobicContact CZ-CZ 3.83Å; F98-A181 HydrophobicContact CE2-CB 4.01Å; F98-A181 HydrophobicContact CZ-CB 4Å; F98-Y186 HydrophobicContact CE1-CE2 4.01Å; F98-Y186 WeakPolarHBondContact CE1-OH 3.45Å; F98-Y186 HydrophobicContact CZ-CE2 4.17Å
99	F	97.9	Very high	94.1	Very high	49 Å²	49	66.4 Å²	66.4	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.3	174.2	-68.5	-72	0	0	0	111.6	F37 W75 R107 V108 V161	F37-F99 HydrophobicContact CB-CE2 4.11Å; F37-F99 HydrophobicContact CB-CZ 4.11Å; F37-F99 HydrophobicContact CD2-CD1 4.27Å; F37-F99 HydrophobicContact CD2-CD2 4.11Å; F37-F99 AromaticContact CD2-CE1 3.85Å; F37-F99 HydrophobicContact CD2-CE1 3.85Å; F37-F99 AromaticContact CD2-CE2 3.63Å; F37-F99 HydrophobicContact CD2-CE2 3.63Å; F37-F99 HydrophobicContact CD2-CG 4.42Å; F37-F99 AromaticContact CD2-CZ 3.49Å; F37-F99 HydrophobicContact CD2-CZ 3.49Å; F37-F99 VanDerWaalsContact CD2-CZ 3.49Å; F37-F99 HydrophobicContact CE2-CD1 4.35Å; F37-F99 HydrophobicContact CE2-CE1 4.17Å; F37-F99 HydrophobicContact CE2-CZ 4.27Å; F37-F99 HydrophobicContact CG-CE2 4.37Å; F37-F99 HydrophobicContact CG-CZ 4.19Å; W75-F99 HydrophobicContact CD2-CD2 4.22Å; W75-F99 HydrophobicContact CD2-CE2 4.01Å; W75-F99 AromaticContact CE2-CD2 3.71Å; W75-F99 AromaticContact CE2-CE2 3.84Å; W75-F99 HydrophobicContact CE3-CE2 4.17Å; W75-F99 HydrophobicContact CH2-CE2 4.06Å; W75-F99 AromaticContact CZ2-CD2 3.9Å; W75-F99 HydrophobicContact CZ2-CD2 3.9Å; W75-F99 AromaticContact CZ2-CE2 3.88Å; W75-F99 HydrophobicContact CZ2-CE2 3.88Å; W75-F99 HydrophobicContact CZ3-CE2 4.19Å; W75-F99 AromaticContact NE1-CD2 3.85Å; F99-R107 HydrophobicContact CB-CG 3.66Å; F99-R107 HydrophobicContact CD1-CG 3.37Å; F99-R107 HydrophobicContact CE1-CG 4.05Å; F99-R107 HydrophobicContact CG-CG 3.63Å; F99-V108 CarbonylContact C-O 3.59Å; F99-V108 WeakPolarHBondContact CA-O 3.31Å; F99-V161 HydrophobicContact CE1-CB 4.08Å; F99-V161 HydrophobicContact CE1-CG2 3.5Å; F99-V161 HydrophobicContact CZ-CB 4.23Å; F99-V161 HydrophobicContact CZ-CG2 3.91Å
100	T	97.4	Very high	94.8	Very high	24 Å²	24	60.8 Å²	60.8	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	170.6	162.9	-169.6	0	0	0	0	110.4	R107 V108 C110 A177	T100-R107 WeakPolarHBondContact O-CA 3.4Å; T100-V108 HydrophobicContact CG2-CB 3.79Å; T100-V108 HydrophobicContact CG2-CG1 4.09Å; T100-V108 PolarHBondContact N-O 2.82Å; T100-V108 PolarHBondContact O-N 3.42Å; T100-C110 VanDerWaalsContact CG2-SG 3.58Å; T100-A177 HydrophobicContact CG2-CB 3.71Å
101	R	98	Very high	95.4	Very high	175 Å²	175	51.4 Å²	51.4	66%	0.66	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.3	179.3	-178.1	170.6	-105	-89.2	-6.7	110.2	G105 N106	R101-G105 VanDerWaalsContact NH1-CA 3.28Å; R101-G105 PolarHBondContact NH1-O 2.78Å; R101-G105 PolarHBondContact NH2-O 2.86Å; R101-N106 WeakPolarHBondContact CA-O 3.3Å
102	S	98.4	Very high	95.9	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.035	24%	0.237	C	C	.	.			trans	-75	158.5	175.7	74.1	0	0	0	0	112	R104 G105 N106 A173	S102-R104 PolarHBondContact O-N 2.87Å; S102-G105 PolarHBondContact O-N 2.87Å; S102-N106 PolarHBondContact N-O 2.95Å; S102-N106 PolarHBondContact OG-N 3.16Å; S102-A173 WeakPolarHBondContact CB-O 3.49Å
103	S	98.1	Very high	96.4	Very high	107 Å²	107	48.3 Å²	48.3	75%	0.748	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.5	175.7	60.8	0	0	0	0	113.1
104	R	97.6	Very high	96.8	Very high	139 Å²	139	49.4 Å²	49.4	53%	0.525	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4	176.3	-60.8	-172.6	59.2	68.1	11.9	113.3	S102 K169 N170 A173	S102-R104 PolarHBondContact O-N 2.87Å; R104-K169 VanDerWaalsContact CD-O 3.3Å; R104-K169 WeakPolarHBondContact CD-O 3.44Å; R104-N170 WeakPolarHBondContact CD-OD1 3.39Å; R104-N170 PolarHBondContact NE-OD1 2.89Å; R104-A173 HydrophobicContact CB-CB 4.27Å; R104-A173 HydrophobicContact CG-CB 3.64Å
105	G	97.3	Very high	96.8	Very high	30 Å²	30	43.9 Å²	43.9	31%	0.309	21%	0.207	S	C	.	.	S	Bend	trans	85.2	7.3	172.8	0	0	0	0	0	115.3	R101 S102	R101-G105 VanDerWaalsContact NH1-CA 3.28Å; R101-G105 PolarHBondContact NH1-O 2.78Å; R101-G105 PolarHBondContact NH2-O 2.86Å; S102-G105 PolarHBondContact O-N 2.87Å
106	N	98.3	Very high	95.8	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.123	25%	0.247	C	C	.	.			trans	-80.6	141.8	175.4	-56.6	-33.2	0	0	0	109.5	R101 S102 S157 N170	R101-N106 WeakPolarHBondContact CA-O 3.3Å; S102-N106 PolarHBondContact N-O 2.95Å; S102-N106 PolarHBondContact OG-N 3.16Å; N106-S157 PolarHBondContact ND2-OG 3.24Å; N106-N170 VanDerWaalsContact ND2-CG 3.34Å; N106-N170 PolarHBondContact ND2-ND2 2.95Å; N106-N170 PolarHBondContact ND2-OD1 3.48Å
107	R	98.1	Very high	94.6	Very high	111 Å²	111	49 Å²	49	42%	0.419	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.2	164.4	-175	177.6	58.7	-105.5	0.5	108.8	F99 T100 S162 T163	F99-R107 HydrophobicContact CB-CG 3.66Å; F99-R107 HydrophobicContact CD1-CG 3.37Å; F99-R107 HydrophobicContact CE1-CG 4.05Å; F99-R107 HydrophobicContact CG-CG 3.63Å; T100-R107 WeakPolarHBondContact O-CA 3.4Å; R107-S162 CarbonylContact O-C 3.57Å; R107-S162 WeakPolarHBondContact O-CA 3.17Å; R107-T163 HydrophobicContact CB-CG2 4.21Å; R107-T163 PolarHBondContact N-OG1 3.29Å; R107-T163 PolarHBondContact O-N 2.94Å; R107-T163 PolarHBondContact O-OG1 3.42Å
108	V	98.6	Very high	93.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	-175.7	173.7	0	0	0	0	108.4	F99 T100 Y154 D155 S162 D174	F99-V108 CarbonylContact C-O 3.59Å; F99-V108 WeakPolarHBondContact CA-O 3.31Å; T100-V108 HydrophobicContact CG2-CB 3.79Å; T100-V108 HydrophobicContact CG2-CG1 4.09Å; T100-V108 PolarHBondContact N-O 2.82Å; T100-V108 PolarHBondContact O-N 3.42Å; V108-Y154 HydrophobicContact CG1-CD2 4.11Å; V108-D155 WeakPolarHBondContact CG1-O 3.28Å; V108-S162 WeakPolarHBondContact CA-OG 3.49Å; V108-D174 HydrophobicContact CG2-CB 4.12Å; V108-D174 VanDerWaalsContact CG2-OD1 3.28Å; V108-D174 WeakPolarHBondContact CG2-OD1 3.33Å
109	G	98.4	Very high	93.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.9	173.4	0	0	0	0	0	110.7	Y154 D155 S162	G109-Y154 CarbonylContact O-C 3.54Å; G109-Y154 WeakPolarHBondContact O-CA 3.37Å; G109-D155 PolarHBondContact O-N 2.73Å; G109-S162 PolarHBondContact N-OG 2.82Å
110	C	98.6	Very high	93	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.8	179	-62.8	0	0	0	0	110.5	F37 V97 F98 T100 F152 S153	F37-C110 WeakPolarHBondContact CZ-O 3.43Å; V97-C110 WeakPolarHBondContact CA-O 3.31Å; F98-C110 HydrophobicContact CD1-CB 4.08Å; F98-C110 HydrophobicContact CD2-CB 4.48Å; F98-C110 HydrophobicContact CE1-CB 3.64Å; F98-C110 HydrophobicContact CE2-CB 4.11Å; F98-C110 HydrophobicContact CG-CB 4.46Å; F98-C110 HydrophobicContact CZ-CB 3.67Å; F98-C110 PolarHBondContact N-O 3.22Å; F98-C110 VanDerWaalsContact N-O 3.13Å; F98-C110 PolarHBondContact O-N 2.93Å; T100-C110 VanDerWaalsContact CG2-SG 3.58Å; C110-F152 HydrophobicContact CB-CE1 4.34Å; C110-F152 HydrophobicContact CB-CE2 4.26Å; C110-F152 HydrophobicContact CB-CZ 3.7Å; C110-S153 WeakPolarHBondContact CA-O 3.35Å
111	M	98.1	Very high	93	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.4	176.9	176.8	179.6	-70.5	0	0	108.8	L77 V95 E96 V97 I113 L133 Y140 F152 S153	L77-M111 HydrophobicContact CD1-CE 4.09Å; L77-M111 HydrophobicContact CD2-CE 3.7Å; V95-M111 HydrophobicContact CG1-CE 4.1Å; V95-M111 HydrophobicContact CG1-CG 3.41Å; V95-M111 VanDerWaalsContact CG1-CG 3.41Å; V95-M111 HydrophobicContact CG1-SD 3.88Å; E96-M111 CarbonylContact O-C 3.6Å; E96-M111 WeakPolarHBondContact O-CA 3.46Å; V97-M111 HydrophobicContact CG1-CB 4.35Å; V97-M111 HydrophobicContact CG1-CE 4.5Å; V97-M111 HydrophobicContact CG1-CG 4.41Å; M111-I113 HydrophobicContact CG-CD1 4.33Å; M111-I113 HydrophobicContact CG-CG1 4.33Å; M111-I113 HydrophobicContact SD-CD1 3.99Å; M111-L133 HydrophobicContact CB-CD1 3.96Å; M111-L133 HydrophobicContact CB-CD2 4.19Å; M111-L133 HydrophobicContact CE-CB 3.95Å; M111-L133 WeakPolarHBondContact CE-O 3.29Å; M111-Y140 HydrophobicContact SD-CD2 4.04Å; M111-F152 CarbonylContact O-C 3.59Å; M111-F152 WeakPolarHBondContact O-CA 3.49Å; M111-S153 PolarHBondContact N-O 2.91Å; M111-S153 PolarHBondContact O-N 2.94Å
112	Y	97.8	Very high	93	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.8	177	-171.1	-147.6	0	0	0	111.2	E96 R114 T122 N150 I151 F152 Y186	E96-Y112 PolarHBondContact N-O 3.37Å; E96-Y112 PolarHBondContact O-N 3.19Å; Y112-R114 HydrophobicContact CD1-CG 4.38Å; Y112-R114 HydrophobicContact CE1-CG 4.08Å; Y112-R114 VanDerWaalsContact CE1-NH2 3.32Å; Y112-R114 PolarHBondContact OH-NH1 3.5Å; Y112-T122 HydrophobicContact CE2-CG2 3.72Å; Y112-N150 HydrophobicContact CE2-CB 3.56Å; Y112-N150 PolarHBondContact OH-ND2 2.85Å; Y112-I151 WeakPolarHBondContact CA-O 3.16Å; Y112-I151 WeakPolarHBondContact CD2-O 3.38Å; Y112-F152 HydrophobicContact CD2-CB 3.8Å; Y112-F152 AromaticContact CD2-CD2 3.96Å; Y112-F152 HydrophobicContact CD2-CD2 3.96Å; Y112-F152 HydrophobicContact CD2-CG 4.38Å; Y112-F152 HydrophobicContact CE2-CB 4.23Å; Y112-F152 HydrophobicContact CG-CD2 4.03Å; Y112-Y186 HydrophobicContact CD1-CD1 4.05Å; Y112-Y186 HydrophobicContact CD1-CD2 4.02Å; Y112-Y186 AromaticContact CD1-CE1 3.59Å; Y112-Y186 HydrophobicContact CD1-CE1 3.59Å; Y112-Y186 AromaticContact CD1-CE2 3.57Å; Y112-Y186 HydrophobicContact CD1-CE2 3.57Å; Y112-Y186 HydrophobicContact CD1-CG 4.23Å; Y112-Y186 AromaticContact CD1-CZ 3.32Å; Y112-Y186 AromaticContact CE1-CD1 3.8Å; Y112-Y186 HydrophobicContact CE1-CD1 3.8Å; Y112-Y186 AromaticContact CE1-CD2 3.92Å; Y112-Y186 HydrophobicContact CE1-CD2 3.92Å; Y112-Y186 AromaticContact CE1-CE1 3.83Å; Y112-Y186 HydrophobicContact CE1-CE1 3.83Å; Y112-Y186 AromaticContact CE1-CE2 3.97Å; Y112-Y186 HydrophobicContact CE1-CE2 3.97Å; Y112-Y186 AromaticContact CE1-CG 3.82Å; Y112-Y186 HydrophobicContact CE1-CG 3.82Å; Y112-Y186 AromaticContact CE1-CZ 3.91Å; Y112-Y186 HydrophobicContact CG-CE2 4.13Å
113	I	95.7	Very high	93	Very high	10 Å²	10	50 Å²	50	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.4	-179.6	-65.1	158.7	0	0	0	107.5	V95 M111 Y140 I141 N150 I151	V95-I113 HydrophobicContact CG1-CG1 4Å; V95-I113 HydrophobicContact CG2-CG1 4.07Å; M111-I113 HydrophobicContact CG-CD1 4.33Å; M111-I113 HydrophobicContact CG-CG1 4.33Å; M111-I113 HydrophobicContact SD-CD1 3.99Å; I113-Y140 HydrophobicContact CD1-CD2 4.32Å; I113-Y140 HydrophobicContact CD1-CG 4.27Å; I113-I141 HydrophobicContact CD1-CG1 3.94Å; I113-I141 HydrophobicContact CG1-CG1 4.42Å; I113-I141 HydrophobicContact CG2-CG1 4.22Å; I113-N150 CarbonylContact O-C 3.56Å; I113-N150 VanDerWaalsContact O-CA 3.31Å; I113-N150 WeakPolarHBondContact O-CA 3.41Å; I113-N150 WeakPolarHBondContact O-CB 3.39Å; I113-I151 HydrophobicContact CB-CB 4.46Å; I113-I151 PolarHBondContact N-O 2.97Å; I113-I151 PolarHBondContact O-N 2.69Å
114	R	93.1	Very high	93	Very high	127 Å²	127	44.9 Å²	44.9	48%	0.479	25%	0.245	S	C	.	.			trans	-94.2	137.7	174.7	-63.1	178.9	-171.7	-87.9	5.2	109.4	E96 Y112 N150 Y186	E96-R114 IonicContact OE2-NH2 3.19Å; Y112-R114 HydrophobicContact CD1-CG 4.38Å; Y112-R114 HydrophobicContact CE1-CG 4.08Å; Y112-R114 VanDerWaalsContact CE1-NH2 3.32Å; Y112-R114 PolarHBondContact OH-NH1 3.5Å; R114-N150 WeakPolarHBondContact CA-OD1 3.4Å; R114-Y186 VanDerWaalsContact NH2-CE1 3.31Å
115	V	87.7	Confident	93.1	Very high	32 Å²	32	38.2 Å²	38.2	19%	0.194	22%	0.221	C	C	.	.			trans	-78.4	146.7	167.2	73.1	0	0	0	0	108.7	G117 A119 N150	V115-G117 PolarHBondContact O-N 2.92Å; V115-A119 HydrophobicContact CG1-CB 3.39Å; V115-N150 PolarHBondContact N-OD1 2.88Å; V115-N150 VanDerWaalsContact N-OD1 3.09Å
116	A	72.3	Confident	93.2	Very high	109 Å²	109	36.8 Å²	36.8	90%	0.901	21%	0.206	S	C	*	.	S	Bend	trans	-63	110.6	171.5	0	0	0	0	0	109.8
117	G	71.8	Confident	93.2	Very high	64 Å²	64	35.7 Å²	35.7	66%	0.66	20%	0.2	S	C	*	.	S	Bend	trans	125.4	-179.6	-178.9	0	0	0	0	0	113.6	V115 A119	V115-G117 PolarHBondContact O-N 2.92Å; G117-A119 VanDerWaalsContact C-N 3.33Å; G117-A119 PolarHBondContact O-N 3.35Å; G117-A119 VanDerWaalsContact O-N 3.08Å
118	N	77.5	Confident	93.1	Very high	171 Å²	171	30.8 Å²	30.8	91%	0.914	18%	0.183	S	C	*	.			trans	-87	70.7	-178.5	-159.4	35.8	0	0	0	110.8	R120	N118-R120 PolarHBondContact O-N 3.15Å
119	A	89.4	Confident	92.9	Very high	19 Å²	19	32.7 Å²	32.7	16%	0.157	19%	0.194	C	C	.	.			trans	-59.2	124.4	175.8	0	0	0	0	0	110.8	V115 G117	V115-A119 HydrophobicContact CG1-CB 3.39Å; G117-A119 VanDerWaalsContact C-N 3.33Å; G117-A119 PolarHBondContact O-N 3.35Å; G117-A119 VanDerWaalsContact O-N 3.08Å
120	R	91.1	Very high	92.6	Very high	88 Å²	88	35.2 Å²	35.2	33%	0.332	21%	0.214	S	C	.	.	S	Bend	trans	-71.2	-43.5	178.6	174.7	178.3	163	167	2.1	112.3	N118 N192 H318	N118-R120 PolarHBondContact O-N 3.15Å; R120-N192 WeakPolarHBondContact O-CB 3.42Å; R120-H318 PolarHBondContact NH1-O 3.46Å; R120-H318 PolarHBondContact NH2-O 3.38Å
121	F	96.7	Very high	92.5	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.044	22%	0.224	C	C	.	.			trans	-105.5	146.8	-176	-61.9	-66.1	0	0	0	111.5	N150 N192 I194 A215 I310 L314	F121-N150 PolarHBondContact O-N 2.89Å; F121-N150 VanDerWaalsContact O-N 3.13Å; F121-N192 WeakPolarHBondContact CA-O 3.31Å; F121-I194 HydrophobicContact CB-CD1 3.84Å; F121-I194 HydrophobicContact CB-CG1 4.31Å; F121-I194 HydrophobicContact CD1-CD1 4.38Å; F121-I194 HydrophobicContact CD1-CG1 4.4Å; F121-I194 HydrophobicContact CD2-CD1 4.4Å; F121-I194 HydrophobicContact CG-CD1 3.98Å; F121-I194 HydrophobicContact CG-CG1 4.44Å; F121-A215 HydrophobicContact CD1-CB 4.04Å; F121-A215 HydrophobicContact CE1-CB 3.9Å; F121-I310 HydrophobicContact CD2-CG2 3.86Å; F121-I310 HydrophobicContact CE2-CG2 4.39Å; F121-L314 HydrophobicContact CE2-CB 4.42Å; F121-L314 HydrophobicContact CZ-CB 4.2Å
122	T	98.1	Very high	92.5	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127	168.3	-62.6	0	0	0	0	109.2	Y112 N150 F152 L182 I188 N192 I193 I194	Y112-T122 HydrophobicContact CE2-CG2 3.72Å; T122-N150 CarbonylContact C-O 3.39Å; T122-N150 WeakPolarHBondContact CA-O 3.39Å; T122-N150 HydrophobicContact CG2-CB 4.08Å; T122-N150 PolarHBondContact OG1-ND2 2.76Å; T122-F152 HydrophobicContact CG2-CB 4.12Å; T122-L182 HydrophobicContact CG2-CD2 3.91Å; T122-I188 HydrophobicContact CG2-CD1 4Å; T122-I188 VanDerWaalsContact OG1-CD1 3.31Å; T122-I188 WeakPolarHBondContact OG1-CD1 3.28Å; T122-N192 PolarHBondContact N-O 2.7Å; T122-I193 WeakPolarHBondContact O-CA 3.31Å; T122-I194 PolarHBondContact O-N 3.06Å
123	V	98.8	Very high	92.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.4	175.5	-176.6	0	0	0	0	108.9	F125 I147 C149 N150 I151 F152 I194 Y196	V123-F125 HydrophobicContact CG1-CB 4.26Å; V123-F125 HydrophobicContact CG1-CD2 4.25Å; V123-F125 PolarHBondContact O-N 3.14Å; V123-I147 HydrophobicContact CG2-CD1 4.1Å; V123-C149 HydrophobicContact CG2-CB 4Å; V123-N150 PolarHBondContact N-O 2.96Å; V123-I151 HydrophobicContact CB-CD1 3.66Å; V123-I151 HydrophobicContact CG1-CD1 4.36Å; V123-I151 HydrophobicContact CG2-CD1 3.79Å; V123-F152 PolarHBondContact O-N 2.8Å; V123-F152 VanDerWaalsContact O-O 3.1Å; V123-I194 CarbonylContact C-O 3.31Å; V123-I194 VanDerWaalsContact CA-O 3.28Å; V123-I194 WeakPolarHBondContact CA-O 3.43Å; V123-I194 HydrophobicContact CG2-CB 4.32Å; V123-Y196 VanDerWaalsContact CG1-CB 3.42Å; V123-Y196 HydrophobicContact CG1-CD2 4.44Å; V123-Y196 HydrophobicContact CG1-CG 4.27Å
124	L	98.9	Very high	92.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	100.3	163.2	174.4	53.4	0	0	0	108.1	F152 Y154 I175 A178 W179 L182 I193 I194 L195 Y196 L208	L124-F152 CarbonylContact C-O 3.5Å; L124-F152 WeakPolarHBondContact CA-O 3.3Å; L124-F152 HydrophobicContact CD1-CD1 3.48Å; L124-F152 VanDerWaalsContact CD1-CD1 3.48Å; L124-F152 HydrophobicContact CD1-CE1 4.01Å; L124-Y154 HydrophobicContact CD1-CD1 3.89Å; L124-Y154 HydrophobicContact CD1-CE1 3.91Å; L124-I175 HydrophobicContact CD2-CD1 4.46Å; L124-I175 HydrophobicContact CD2-CG1 4.12Å; L124-A178 HydrophobicContact CD1-CB 3.91Å; L124-W179 HydrophobicContact CD2-CB 4.3Å; L124-W179 HydrophobicContact CD2-CE3 4.24Å; L124-L182 HydrophobicContact CB-CD1 3.76Å; L124-L182 HydrophobicContact CD1-CD1 4.05Å; L124-L182 HydrophobicContact CD2-CD1 4.14Å; L124-L182 HydrophobicContact CG-CD1 4.19Å; L124-I193 HydrophobicContact CB-CG2 4.09Å; L124-I194 PolarHBondContact N-O 3.45Å; L124-L195 HydrophobicContact CB-CD2 3.88Å; L124-L195 HydrophobicContact CD2-CD2 3.73Å; L124-L195 HydrophobicContact CG-CD2 4.13Å; L124-Y196 PolarHBondContact O-N 2.99Å; L124-L208 HydrophobicContact CD2-CD2 4.1Å
125	F	98.9	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.4	-173.2	-159.7	-69.5	0	0	0	111.5	V123 M136 F139 Y140 L143 I151 F152 S153 Y196 Q198	V123-F125 HydrophobicContact CG1-CB 4.26Å; V123-F125 HydrophobicContact CG1-CD2 4.25Å; V123-F125 PolarHBondContact O-N 3.14Å; F125-M136 HydrophobicContact CE1-CE 4.28Å; F125-F139 AromaticContact CE2-CE1 3.84Å; F125-F139 HydrophobicContact CE2-CE1 3.84Å; F125-F139 AromaticContact CZ-CE1 3.79Å; F125-F139 HydrophobicContact CZ-CE1 3.79Å; F125-Y140 HydrophobicContact CB-CE1 4.2Å; F125-Y140 AromaticContact CD1-CE1 3.55Å; F125-Y140 HydrophobicContact CD1-CE1 3.55Å; F125-Y140 AromaticContact CD1-CZ 3.91Å; F125-Y140 WeakPolarHBondContact CD1-OH 3.11Å; F125-Y140 HydrophobicContact CD2-CE1 4.05Å; F125-Y140 AromaticContact CE1-CE1 3.85Å; F125-Y140 HydrophobicContact CE1-CE1 3.85Å; F125-Y140 HydrophobicContact CE2-CE1 4.3Å; F125-Y140 HydrophobicContact CG-CD1 4.47Å; F125-Y140 AromaticContact CG-CE1 3.66Å; F125-Y140 HydrophobicContact CG-CE1 3.66Å; F125-Y140 HydrophobicContact CZ-CE1 4.21Å; F125-L143 HydrophobicContact CD2-CD2 4.32Å; F125-L143 HydrophobicContact CE2-CD2 4.01Å; F125-I151 HydrophobicContact CB-CG2 4.23Å; F125-F152 PolarHBondContact N-O 3.47Å; F125-S153 WeakPolarHBondContact O-CB 3.35Å; F125-S153 PolarHBondContact O-OG 2.97Å; F125-Y196 CarbonylContact C-O 3.55Å; F125-Y196 WeakPolarHBondContact CA-O 3.24Å; F125-Y196 HydrophobicContact CD1-CD1 4.39Å; F125-Y196 AromaticContact CD2-CD1 3.53Å; F125-Y196 HydrophobicContact CD2-CD1 3.53Å; F125-Y196 HydrophobicContact CD2-CD2 4.29Å; F125-Y196 HydrophobicContact CD2-CE1 4.13Å; F125-Y196 AromaticContact CD2-CG 3.66Å; F125-Y196 HydrophobicContact CD2-CG 3.66Å; F125-Y196 HydrophobicContact CE1-CD1 4.1Å; F125-Y196 HydrophobicContact CE1-CE1 4.29Å; F125-Y196 AromaticContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD2 4.12Å; F125-Y196 AromaticContact CE2-CE1 3.29Å; F125-Y196 HydrophobicContact CE2-CE1 3.29Å; F125-Y196 HydrophobicContact CE2-CE2 4.19Å; F125-Y196 AromaticContact CE2-CG 3.66Å; F125-Y196 HydrophobicContact CE2-CG 3.66Å; F125-Y196 AromaticContact CE2-CZ 3.82Å; F125-Y196 HydrophobicContact CG-CD1 4.14Å; F125-Y196 HydrophobicContact CG-CG 4.43Å; F125-Y196 AromaticContact CZ-CD1 3.49Å; F125-Y196 HydrophobicContact CZ-CD1 3.49Å; F125-Y196 VanDerWaalsContact CZ-CD1 3.49Å; F125-Y196 AromaticContact CZ-CE1 3.39Å; F125-Y196 HydrophobicContact CZ-CE1 3.39Å; F125-Y196 HydrophobicContact CZ-CG 4.41Å; F125-Q198 HydrophobicContact CE1-CB 4.23Å; F125-Q198 HydrophobicContact CZ-CB 4.3Å
126	S	98.9	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.1	170.7	-50.6	0	0	0	0	108.9	Y154 Y156 Y196 Q198 G201 T205	S126-Y154 PolarHBondContact OG-OH 2.92Å; S126-Y154 VanDerWaalsContact OG-OH 3.12Å; S126-Y156 VanDerWaalsContact C-OH 3.29Å; S126-Y196 PolarHBondContact N-O 3.05Å; S126-Q198 PolarHBondContact O-N 3.35Å; S126-G201 VanDerWaalsContact CB-O 3.24Å; S126-G201 WeakPolarHBondContact CB-O 3.47Å; S126-T205 PolarHBondContact OG-OG1 2.81Å
127	H	98.5	Very high	94.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.			trans	-71.8	166.7	-172	65.6	80.5	0	0	0	114.4	V131 M136 Y140 Y154 D155 Y156 Y159	H127-V131 HydrophobicContact CB-CG2 4.08Å; H127-V131 PolarHBondContact CE1-O 3.1Å; H127-V131 PolarHBondContact ND1-O 3.36Å; H127-M136 HydrophobicContact CB-CG 4.25Å; H127-Y140 WeakPolarHBondContact CB-OH 3.38Å; H127-Y154 PolarHBondContact CD2-O 3.28Å; H127-Y154 PolarHBondContact NE2-O 3.16Å; H127-D155 IonicContact CD2-OD1 3.46Å; H127-D155 IonicContact CE1-OD1 3.65Å; H127-D155 IonicContact NE2-OD1 3.09Å; H127-D155 PolarHBondContact NE2-OD1 3.14Å; H127-Y156 AromaticContact CE1-CD2 3.55Å; H127-Y156 AromaticContact CE1-CE2 3.4Å; H127-Y156 WeakPolarHBondContact CE1-CE2 3.39Å; H127-Y156 PolarHBondContact N-OH 3.16Å; H127-Y156 VanDerWaalsContact N-OH 3.17Å; H127-Y156 AromaticContact ND1-CE2 3.7Å; H127-Y156 AromaticContact NE2-CD2 3.82Å; H127-Y156 AromaticContact NE2-CE2 3.74Å; H127-Y156 PolarHBondContact O-OH 3.48Å; H127-Y159 AromaticContact CE1-CD1 3.84Å
128	G	96.4	Very high	95.2	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.138	C	C	.	.			trans	-67	-179.5	175.8	0	0	0	0	0	114	V131	G128-V131 WeakPolarHBondContact O-CG2 3.31Å
129	N	94.1	Very high	96.1	Very high	41 Å²	41	19.4 Å²	19.4	22%	0.219	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	165.7	169.4	-163.9	16.8	0	0	0	110.3	A27 L29 V131 Y159 I200	A27-N129 PolarHBondContact O-ND2 3.31Å; L29-N129 PolarHBondContact N-OD1 2.71Å; N129-V131 PolarHBondContact O-N 2.91Å; N129-Y159 PolarHBondContact OD1-OH 3.4Å; N129-I200 HydrophobicContact CB-CG2 3.9Å
130	A	93.2	Very high	96.4	Very high	52 Å²	52	18.5 Å²	18.5	43%	0.43	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	17.2	174	0	0	0	0	0	116.5	L29	L29-A130 HydrophobicContact CB-CB 4.4Å; L29-A130 WeakPolarHBondContact O-CA 3.35Å; L29-A130 PolarHBondContact O-N 2.77Å
131	V	95.1	Very high	96.6	Very high	34 Å²	34	15.3 Å²	15.3	21%	0.206	9%	0.087	C	C	.	.			trans	-130.1	157.5	172.6	-61.2	0	0	0	0	110.1	H127 G128 N129 M136 Y159	H127-V131 HydrophobicContact CB-CG2 4.08Å; H127-V131 PolarHBondContact CE1-O 3.1Å; H127-V131 PolarHBondContact ND1-O 3.36Å; G128-V131 WeakPolarHBondContact O-CG2 3.31Å; N129-V131 PolarHBondContact O-N 2.91Å; V131-M136 HydrophobicContact CB-CG 4.16Å; V131-M136 HydrophobicContact CB-SD 4.13Å; V131-M136 HydrophobicContact CG1-SD 4.36Å; V131-M136 HydrophobicContact CG2-CG 3.95Å; V131-M136 HydrophobicContact CG2-SD 3.9Å; V131-Y159 WeakPolarHBondContact O-CD1 3.4Å
132	D	97.7	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.			trans	-125.4	173.6	169.3	73.8	5.2	0	0	0	111.3	P31 T34 Y35 G134 Q135 M136 D155	P31-D132 HydrophobicContact CG-CB 4.06Å; T34-D132 PolarHBondContact N-OD2 3.15Å; T34-D132 PolarHBondContact OG1-OD1 3.1Å; T34-D132 PolarHBondContact OG1-OD2 3.5Å; Y35-D132 WeakPolarHBondContact CD1-OD2 3.46Å; Y35-D132 HydrophobicContact CE1-CB 4.04Å; D132-G134 PolarHBondContact O-N 2.93Å; D132-G134 VanDerWaalsContact O-N 3.16Å; D132-G134 WeakPolarHBondContact OD1-CA 3.38Å; D132-G134 PolarHBondContact OD1-N 2.97Å; D132-Q135 PolarHBondContact O-N 3.12Å; D132-Q135 PolarHBondContact OD1-N 3.03Å; D132-M136 WeakPolarHBondContact O-CG 3.1Å; D132-M136 PolarHBondContact O-N 3.35Å; D132-M136 VanDerWaalsContact O-N 3.09Å; D132-D155 WeakPolarHBondContact CA-OD1 3.31Å
133	L	97.8	Very high	96.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.1	-30.5	179.1	-70.3	178.6	0	0	0	114.2	Y35 M111 M136 S137 Y140 S153 D155	Y35-L133 HydrophobicContact CE1-CB 3.79Å; M111-L133 HydrophobicContact CB-CD1 3.96Å; M111-L133 HydrophobicContact CB-CD2 4.19Å; M111-L133 HydrophobicContact CE-CB 3.95Å; M111-L133 WeakPolarHBondContact CE-O 3.29Å; L133-M136 PolarHBondContact O-N 2.94Å; L133-S137 PolarHBondContact O-N 3.28Å; L133-Y140 HydrophobicContact CD2-CE2 4.07Å; L133-S153 WeakPolarHBondContact CD2-OG 3.34Å; L133-D155 HydrophobicContact CD1-CB 4.4Å; L133-D155 HydrophobicContact CG-CB 4.34Å; L133-D155 PolarHBondContact N-OD1 2.56Å
134	G	96.7	Very high	96.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65	-50.3	179.4	0	0	0	0	0	111.2	T34 D132 M136 S137	T34-G134 WeakPolarHBondContact OG1-CA 3.29Å; D132-G134 PolarHBondContact O-N 2.93Å; D132-G134 VanDerWaalsContact O-N 3.16Å; D132-G134 WeakPolarHBondContact OD1-CA 3.38Å; D132-G134 PolarHBondContact OD1-N 2.97Å; G134-M136 VanDerWaalsContact C-N 3.29Å; G134-M136 PolarHBondContact O-N 3.45Å; G134-S137 WeakPolarHBondContact O-CB 3.49Å; G134-S137 PolarHBondContact O-N 3.21Å; G134-S137 PolarHBondContact O-OG 3.28Å
135	Q	95.8	Very high	95.9	Very high	69 Å²	69	18.3 Å²	18.3	32%	0.322	11%	0.11	S	C	.	.	H	α-helix	trans	-64	-35	176.2	-64	177.8	-72.5	0	0	112.2	T34 D132 S137	T34-Q135 HydrophobicContact CG2-CG 3.51Å; T34-Q135 PolarHBondContact OG1-N 3.21Å; D132-Q135 PolarHBondContact O-N 3.12Å; D132-Q135 PolarHBondContact OD1-N 3.03Å; Q135-S137 VanDerWaalsContact C-N 3.35Å
136	M	96.4	Very high	95.7	Very high	18 Å²	18	24 Å²	24	9%	0.089	13%	0.131	C	C	.	.	H	α-helix	trans	-80.5	-13.3	-178	-64.6	-59.8	-65.9	0	0	114.2	F125 H127 V131 D132 L133 G134 S138 F139 Y140	F125-M136 HydrophobicContact CE1-CE 4.28Å; H127-M136 HydrophobicContact CB-CG 4.25Å; V131-M136 HydrophobicContact CB-CG 4.16Å; V131-M136 HydrophobicContact CB-SD 4.13Å; V131-M136 HydrophobicContact CG1-SD 4.36Å; V131-M136 HydrophobicContact CG2-CG 3.95Å; V131-M136 HydrophobicContact CG2-SD 3.9Å; D132-M136 WeakPolarHBondContact O-CG 3.1Å; D132-M136 PolarHBondContact O-N 3.35Å; D132-M136 VanDerWaalsContact O-N 3.09Å; L133-M136 PolarHBondContact O-N 2.94Å; G134-M136 VanDerWaalsContact C-N 3.29Å; G134-M136 PolarHBondContact O-N 3.45Å; M136-S138 PolarHBondContact O-N 2.81Å; M136-F139 HydrophobicContact CE-CB 4.47Å; M136-F139 HydrophobicContact CE-CD1 3.55Å; M136-F139 HydrophobicContact CE-CE1 4.08Å; M136-F139 HydrophobicContact CE-CG 4.2Å; M136-F139 WeakPolarHBondContact O-CB 3.47Å; M136-F139 PolarHBondContact O-N 2.98Å; M136-F139 VanDerWaalsContact O-N 3.1Å; M136-Y140 HydrophobicContact CB-CD2 3.92Å; M136-Y140 HydrophobicContact CB-CE1 4.13Å; M136-Y140 HydrophobicContact CB-CE2 3.29Å; M136-Y140 HydrophobicContact CE-CE1 3.83Å; M136-Y140 HydrophobicContact CG-CE2 4.34Å; M136-Y140 WeakPolarHBondContact O-CD2 3.12Å; M136-Y140 PolarHBondContact O-N 2.91Å
137	S	95.7	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.2	-49.6	-173.9	61.3	0	0	0	0	113.6	F85 L133 G134 Q135 F139 Y140 I141	F85-S137 WeakPolarHBondContact CD2-OG 3.41Å; L133-S137 PolarHBondContact O-N 3.28Å; G134-S137 WeakPolarHBondContact O-CB 3.49Å; G134-S137 PolarHBondContact O-N 3.21Å; G134-S137 PolarHBondContact O-OG 3.28Å; Q135-S137 VanDerWaalsContact C-N 3.35Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.28Å; S137-Y140 PolarHBondContact O-N 2.85Å; S137-I141 WeakPolarHBondContact O-CG1 3.45Å; S137-I141 PolarHBondContact O-N 3.2Å
138	S	94.2	Very high	95.3	Very high	11 Å²	11	26.9 Å²	26.9	8%	0.077	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-43.2	176.6	-63.8	0	0	0	0	112	F85 Q86 Y87 M136 G142	F85-S138 WeakPolarHBondContact CA-OG 3.43Å; F85-S138 WeakPolarHBondContact CD2-OG 3.46Å; Q86-S138 PolarHBondContact N-OG 2.96Å; Q86-S138 VanDerWaalsContact N-OG 3.1Å; Y87-S138 VanDerWaalsContact CE2-O 3.22Å; Y87-S138 WeakPolarHBondContact CE2-O 3.36Å; M136-S138 PolarHBondContact O-N 2.81Å; S138-G142 PolarHBondContact O-N 2.87Å
139	F	95	Very high	95.3	Very high	53 Å²	53	26.7 Å²	26.7	23%	0.232	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-45	178.1	171.3	-99.1	0	0	0	110.7	F125 M136 S137 G142 L143 E297	F125-F139 AromaticContact CE2-CE1 3.84Å; F125-F139 HydrophobicContact CE2-CE1 3.84Å; F125-F139 AromaticContact CZ-CE1 3.79Å; F125-F139 HydrophobicContact CZ-CE1 3.79Å; M136-F139 HydrophobicContact CE-CB 4.47Å; M136-F139 HydrophobicContact CE-CD1 3.55Å; M136-F139 HydrophobicContact CE-CE1 4.08Å; M136-F139 HydrophobicContact CE-CG 4.2Å; M136-F139 WeakPolarHBondContact O-CB 3.47Å; M136-F139 PolarHBondContact O-N 2.98Å; M136-F139 VanDerWaalsContact O-N 3.1Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.28Å; F139-G142 PolarHBondContact O-N 2.84Å; F139-L143 HydrophobicContact CE1-CB 4.46Å; F139-L143 HydrophobicContact CE1-CD2 3.83Å; F139-L143 HydrophobicContact CZ-CB 4.44Å; F139-L143 HydrophobicContact CZ-CD2 3.91Å; F139-L143 VanDerWaalsContact O-CB 3.28Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 PolarHBondContact O-N 3.17Å; F139-E297 HydrophobicContact CE2-CB 4.37Å; F139-E297 HydrophobicContact CE2-CG 3.9Å; F139-E297 HydrophobicContact CZ-CG 4.28Å
140	Y	97	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-41	179.8	-63.3	-33	0	0	0	113.6	M111 I113 F125 H127 L133 M136 S137 G142 L143 S144 I151 S153	M111-Y140 HydrophobicContact SD-CD2 4.04Å; I113-Y140 HydrophobicContact CD1-CD2 4.32Å; I113-Y140 HydrophobicContact CD1-CG 4.27Å; F125-Y140 HydrophobicContact CB-CE1 4.2Å; F125-Y140 AromaticContact CD1-CE1 3.55Å; F125-Y140 HydrophobicContact CD1-CE1 3.55Å; F125-Y140 AromaticContact CD1-CZ 3.91Å; F125-Y140 WeakPolarHBondContact CD1-OH 3.11Å; F125-Y140 HydrophobicContact CD2-CE1 4.05Å; F125-Y140 AromaticContact CE1-CE1 3.85Å; F125-Y140 HydrophobicContact CE1-CE1 3.85Å; F125-Y140 HydrophobicContact CE2-CE1 4.3Å; F125-Y140 HydrophobicContact CG-CD1 4.47Å; F125-Y140 AromaticContact CG-CE1 3.66Å; F125-Y140 HydrophobicContact CG-CE1 3.66Å; F125-Y140 HydrophobicContact CZ-CE1 4.21Å; H127-Y140 WeakPolarHBondContact CB-OH 3.38Å; L133-Y140 HydrophobicContact CD2-CE2 4.07Å; M136-Y140 HydrophobicContact CB-CD2 3.92Å; M136-Y140 HydrophobicContact CB-CE1 4.13Å; M136-Y140 HydrophobicContact CB-CE2 3.29Å; M136-Y140 HydrophobicContact CE-CE1 3.83Å; M136-Y140 HydrophobicContact CG-CE2 4.34Å; M136-Y140 WeakPolarHBondContact O-CD2 3.12Å; M136-Y140 PolarHBondContact O-N 2.91Å; S137-Y140 PolarHBondContact O-N 2.85Å; Y140-G142 VanDerWaalsContact C-N 3.34Å; Y140-L143 PolarHBondContact O-N 3.13Å; Y140-S144 WeakPolarHBondContact O-CB 3.38Å; Y140-S144 PolarHBondContact O-N 3.23Å; Y140-I151 HydrophobicContact CD1-CG2 3.77Å; Y140-I151 HydrophobicContact CD2-CG2 4.48Å; Y140-I151 HydrophobicContact CE1-CG2 4.42Å; Y140-I151 HydrophobicContact CG-CG2 3.82Å; Y140-S153 PolarHBondContact OH-OG 2.79Å; Y140-S153 VanDerWaalsContact OH-OG 3.12Å
141	I	94.7	Very high	95.7	Very high	21 Å²	21	22.9 Å²	22.9	11%	0.108	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-46.4	174.7	-66.9	169.1	0	0	0	110.1	F85 Y87 D91 V95 I113 S137 L143 S145	F85-I141 HydrophobicContact CE2-CD1 3.89Å; F85-I141 HydrophobicContact CZ-CD1 3.82Å; Y87-I141 HydrophobicContact CD1-CG2 3.99Å; Y87-I141 HydrophobicContact CD2-CB 4.43Å; Y87-I141 HydrophobicContact CD2-CD1 4.46Å; Y87-I141 HydrophobicContact CD2-CG2 4.33Å; Y87-I141 HydrophobicContact CE1-CG2 3.84Å; Y87-I141 HydrophobicContact CE2-CB 4.21Å; Y87-I141 HydrophobicContact CE2-CG2 4.2Å; Y87-I141 HydrophobicContact CG-CG2 4.24Å; D91-I141 HydrophobicContact CB-CD1 4.36Å; V95-I141 HydrophobicContact CG2-CD1 4.15Å; I113-I141 HydrophobicContact CD1-CG1 3.94Å; I113-I141 HydrophobicContact CG1-CG1 4.42Å; I113-I141 HydrophobicContact CG2-CG1 4.22Å; S137-I141 WeakPolarHBondContact O-CG1 3.45Å; S137-I141 PolarHBondContact O-N 3.2Å; I141-L143 PolarHBondContact O-N 2.98Å; I141-S145 PolarHBondContact O-N 3.06Å; I141-S145 PolarHBondContact O-OG 3.29Å; I141-S145 VanDerWaalsContact O-OG 3.05Å
142	G	94.1	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-37.7	178.3	0	0	0	0	0	113.3	Y87 S138 F139 Y140 S145 R146	Y87-G142 WeakPolarHBondContact OH-CA 3.38Å; Y87-G142 PolarHBondContact OH-N 2.81Å; S138-G142 PolarHBondContact O-N 2.87Å; F139-G142 PolarHBondContact O-N 2.84Å; Y140-G142 VanDerWaalsContact C-N 3.34Å; G142-S145 PolarHBondContact O-OG 2.88Å; G142-S145 VanDerWaalsContact O-OG 3.09Å; G142-R146 VanDerWaalsContact C-NH1 3.35Å; G142-R146 WeakPolarHBondContact O-CB 3.36Å; G142-R146 VanDerWaalsContact O-CD 3.25Å; G142-R146 WeakPolarHBondContact O-CD 3.49Å; G142-R146 WeakPolarHBondContact O-CG 3.2Å; G142-R146 PolarHBondContact O-N 2.78Å; G142-R146 PolarHBondContact O-NH1 3.47Å
143	L	95.5	Very high	95.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-69.5	-51.7	177.4	-177.5	63.4	0	0	0	110	F125 F139 Y140 I141 S145 R146 I147 I151 Y302 L303 L306	F125-L143 HydrophobicContact CD2-CD2 4.32Å; F125-L143 HydrophobicContact CE2-CD2 4.01Å; F139-L143 HydrophobicContact CE1-CB 4.46Å; F139-L143 HydrophobicContact CE1-CD2 3.83Å; F139-L143 HydrophobicContact CZ-CB 4.44Å; F139-L143 HydrophobicContact CZ-CD2 3.91Å; F139-L143 VanDerWaalsContact O-CB 3.28Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 PolarHBondContact O-N 3.17Å; Y140-L143 PolarHBondContact O-N 3.13Å; I141-L143 PolarHBondContact O-N 2.98Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.96Å; L143-R146 PolarHBondContact O-N 2.78Å; L143-I147 HydrophobicContact CD1-CD1 4.2Å; L143-I147 HydrophobicContact CD1-CG2 3.89Å; L143-I147 HydrophobicContact CG-CD1 3.99Å; L143-I147 HydrophobicContact CG-CG1 4.44Å; L143-I147 WeakPolarHBondContact O-CG1 3.38Å; L143-I147 PolarHBondContact O-N 2.8Å; L143-I151 HydrophobicContact CD2-CD1 4.23Å; L143-I151 HydrophobicContact CG-CD1 4.42Å; L143-Y302 HydrophobicContact CD1-CE1 4.35Å; L143-L303 HydrophobicContact CD1-CD2 4.25Å; L143-L306 HydrophobicContact CD1-CD1 4.07Å
144	S	95.4	Very high	95.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-44.6	-55.1	178.2	175.4	0	0	0	0	112.1	Y140 R146 G148 C149	Y140-S144 WeakPolarHBondContact O-CB 3.38Å; Y140-S144 PolarHBondContact O-N 3.23Å; S144-R146 PolarHBondContact O-N 3.48Å; S144-G148 WeakPolarHBondContact O-CA 3.38Å; S144-G148 PolarHBondContact O-N 3.43Å; S144-C149 WeakPolarHBondContact CA-O 3.36Å; S144-C149 WeakPolarHBondContact CB-O 3.32Å; S144-C149 PolarHBondContact O-N 3.19Å; S144-C149 PolarHBondContact OG-O 3.01Å
145	S	92.9	Very high	96	Very high	73 Å²	73	21.3 Å²	21.3	51%	0.51	12%	0.116	S	C	.	.	H	α-helix	trans	-64.9	-36.9	179.7	54.4	0	0	0	0	113.3	I141 G142 L143	I141-S145 PolarHBondContact O-N 3.06Å; I141-S145 PolarHBondContact O-OG 3.29Å; I141-S145 VanDerWaalsContact O-OG 3.05Å; G142-S145 PolarHBondContact O-OG 2.88Å; G142-S145 VanDerWaalsContact O-OG 3.09Å; L143-S145 VanDerWaalsContact C-N 3.33Å; L143-S145 PolarHBondContact O-N 2.96Å
146	R	93.9	Very high	96.2	Very high	119 Å²	119	18.1 Å²	18.1	45%	0.449	10%	0.101	S	C	.	.	H	α-helix	trans	-77.9	-28.6	-176.1	-71.7	173.9	-174.6	119.5	-3.8	113.8	G142 L143 S144 L303 R307	G142-R146 VanDerWaalsContact C-NH1 3.35Å; G142-R146 WeakPolarHBondContact O-CB 3.36Å; G142-R146 VanDerWaalsContact O-CD 3.25Å; G142-R146 WeakPolarHBondContact O-CD 3.49Å; G142-R146 WeakPolarHBondContact O-CG 3.2Å; G142-R146 PolarHBondContact O-N 2.78Å; G142-R146 PolarHBondContact O-NH1 3.47Å; L143-R146 PolarHBondContact O-N 2.78Å; S144-R146 PolarHBondContact O-N 3.48Å; R146-L303 HydrophobicContact CB-CD2 4.14Å; R146-R307 PolarHBondContact O-NE 2.97Å; R146-R307 PolarHBondContact O-NH2 2.81Å
147	I	94.6	Very high	96.2	Very high	20 Å²	20	17.3 Å²	17.3	10%	0.103	10%	0.097	C	C	.	.	H	α-helix	trans	-105.2	-5.1	178.1	71.6	175.7	0	0	0	113.3	V123 L143 C149 I151 L306 I310	V123-I147 HydrophobicContact CG2-CD1 4.1Å; L143-I147 HydrophobicContact CD1-CD1 4.2Å; L143-I147 HydrophobicContact CD1-CG2 3.89Å; L143-I147 HydrophobicContact CG-CD1 3.99Å; L143-I147 HydrophobicContact CG-CG1 4.44Å; L143-I147 WeakPolarHBondContact O-CG1 3.38Å; L143-I147 PolarHBondContact O-N 2.8Å; I147-C149 HydrophobicContact CD1-CB 3.98Å; I147-C149 HydrophobicContact CG1-CB 3.89Å; I147-C149 PolarHBondContact O-N 2.95Å; I147-I151 HydrophobicContact CD1-CD1 4.33Å; I147-L306 HydrophobicContact CG2-CB 4.12Å; I147-L306 HydrophobicContact CG2-CD1 4.47Å; I147-I310 HydrophobicContact CB-CD1 4.4Å; I147-I310 HydrophobicContact CD1-CD1 3.87Å
148	G	94.3	Very high	96.3	Very high	41 Å²	41	18.6 Å²	18.6	42%	0.423	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	33.2	177.8	0	0	0	0	0	113.9	S144	S144-G148 WeakPolarHBondContact O-CA 3.38Å; S144-G148 PolarHBondContact O-N 3.43Å
149	C	96.4	Very high	96.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	11%	0.107	C	C	.	.			trans	-124	148.6	-179.5	-63.6	0	0	0	0	110.5	V123 S144 I147	V123-C149 HydrophobicContact CG2-CB 4Å; S144-C149 WeakPolarHBondContact CA-O 3.36Å; S144-C149 WeakPolarHBondContact CB-O 3.32Å; S144-C149 PolarHBondContact O-N 3.19Å; S144-C149 PolarHBondContact OG-O 3.01Å; I147-C149 HydrophobicContact CD1-CB 3.98Å; I147-C149 HydrophobicContact CG1-CB 3.89Å; I147-C149 PolarHBondContact O-N 2.95Å
150	N	97.8	Very high	96.6	Very high	13 Å²	13	16.3 Å²	16.3	7%	0.07	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	149.3	165.7	-50	-53.4	0	0	0	109.3	Y112 I113 R114 V115 F121 T122 V123	Y112-N150 HydrophobicContact CE2-CB 3.56Å; Y112-N150 PolarHBondContact OH-ND2 2.85Å; I113-N150 CarbonylContact O-C 3.56Å; I113-N150 VanDerWaalsContact O-CA 3.31Å; I113-N150 WeakPolarHBondContact O-CA 3.41Å; I113-N150 WeakPolarHBondContact O-CB 3.39Å; R114-N150 WeakPolarHBondContact CA-OD1 3.4Å; V115-N150 PolarHBondContact N-OD1 2.88Å; V115-N150 VanDerWaalsContact N-OD1 3.09Å; F121-N150 PolarHBondContact O-N 2.89Å; F121-N150 VanDerWaalsContact O-N 3.13Å; T122-N150 CarbonylContact C-O 3.39Å; T122-N150 WeakPolarHBondContact CA-O 3.39Å; T122-N150 HydrophobicContact CG2-CB 4.08Å; T122-N150 PolarHBondContact OG1-ND2 2.76Å; V123-N150 PolarHBondContact N-O 2.96Å
151	I	98.3	Very high	96.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.7	176.6	-54.8	-62.5	0	0	0	108.9	Y112 I113 V123 F125 Y140 L143 I147	Y112-I151 WeakPolarHBondContact CA-O 3.16Å; Y112-I151 WeakPolarHBondContact CD2-O 3.38Å; I113-I151 HydrophobicContact CB-CB 4.46Å; I113-I151 PolarHBondContact N-O 2.97Å; I113-I151 PolarHBondContact O-N 2.69Å; V123-I151 HydrophobicContact CB-CD1 3.66Å; V123-I151 HydrophobicContact CG1-CD1 4.36Å; V123-I151 HydrophobicContact CG2-CD1 3.79Å; F125-I151 HydrophobicContact CB-CG2 4.23Å; Y140-I151 HydrophobicContact CD1-CG2 3.77Å; Y140-I151 HydrophobicContact CD2-CG2 4.48Å; Y140-I151 HydrophobicContact CE1-CG2 4.42Å; Y140-I151 HydrophobicContact CG-CG2 3.82Å; L143-I151 HydrophobicContact CD2-CD1 4.23Å; L143-I151 HydrophobicContact CG-CD1 4.42Å; I147-I151 HydrophobicContact CD1-CD1 4.33Å
152	F	98.8	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	169.5	-176.6	-75.5	0	0	0	108.7	F98 C110 M111 Y112 T122 V123 L124 F125 A178 A181 L182 Y186	F98-F152 AromaticContact CE1-CE2 3.73Å; F98-F152 HydrophobicContact CE1-CE2 3.73Å; F98-F152 HydrophobicContact CE1-CZ 4.25Å; F98-F152 AromaticContact CZ-CE2 3.6Å; F98-F152 HydrophobicContact CZ-CE2 3.6Å; F98-F152 AromaticContact CZ-CZ 3.83Å; F98-F152 HydrophobicContact CZ-CZ 3.83Å; C110-F152 HydrophobicContact CB-CE1 4.34Å; C110-F152 HydrophobicContact CB-CE2 4.26Å; C110-F152 HydrophobicContact CB-CZ 3.7Å; M111-F152 CarbonylContact O-C 3.59Å; M111-F152 WeakPolarHBondContact O-CA 3.49Å; Y112-F152 HydrophobicContact CD2-CB 3.8Å; Y112-F152 AromaticContact CD2-CD2 3.96Å; Y112-F152 HydrophobicContact CD2-CD2 3.96Å; Y112-F152 HydrophobicContact CD2-CG 4.38Å; Y112-F152 HydrophobicContact CE2-CB 4.23Å; Y112-F152 HydrophobicContact CG-CD2 4.03Å; T122-F152 HydrophobicContact CG2-CB 4.12Å; V123-F152 PolarHBondContact O-N 2.8Å; V123-F152 VanDerWaalsContact O-O 3.1Å; L124-F152 CarbonylContact C-O 3.5Å; L124-F152 WeakPolarHBondContact CA-O 3.3Å; L124-F152 HydrophobicContact CD1-CD1 3.48Å; L124-F152 VanDerWaalsContact CD1-CD1 3.48Å; L124-F152 HydrophobicContact CD1-CE1 4.01Å; F125-F152 PolarHBondContact N-O 3.47Å; F152-A178 HydrophobicContact CE1-CB 3.74Å; F152-A181 HydrophobicContact CZ-CB 4.29Å; F152-L182 HydrophobicContact CB-CD1 4.09Å; F152-L182 HydrophobicContact CB-CD2 3.65Å; F152-L182 HydrophobicContact CB-CG 4.15Å; F152-L182 HydrophobicContact CD1-CD1 4.04Å; F152-L182 HydrophobicContact CD1-CD2 4.32Å; F152-L182 HydrophobicContact CD1-CG 3.98Å; F152-L182 HydrophobicContact CD2-CD2 3.42Å; F152-L182 VanDerWaalsContact CD2-CD2 3.42Å; F152-L182 HydrophobicContact CD2-CG 3.81Å; F152-L182 HydrophobicContact CE1-CG 4.36Å; F152-L182 HydrophobicContact CE2-CD2 4.14Å; F152-L182 HydrophobicContact CE2-CG 4.18Å; F152-L182 HydrophobicContact CG-CD1 3.97Å; F152-L182 HydrophobicContact CG-CD2 3.52Å; F152-L182 HydrophobicContact CG-CG 3.69Å; F152-L182 HydrophobicContact CZ-CG 4.43Å; F152-Y186 HydrophobicContact CD2-CE2 4.06Å; F152-Y186 AromaticContact CE2-CE2 3.87Å; F152-Y186 HydrophobicContact CE2-CE2 3.87Å
153	S	98.8	Very high	97	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.9	174.8	-165.2	0	0	0	0	111.1	C110 M111 F125 L133 Y140	C110-S153 WeakPolarHBondContact CA-O 3.35Å; M111-S153 PolarHBondContact N-O 2.91Å; M111-S153 PolarHBondContact O-N 2.94Å; F125-S153 WeakPolarHBondContact O-CB 3.35Å; F125-S153 PolarHBondContact O-OG 2.97Å; L133-S153 WeakPolarHBondContact CD2-OG 3.34Å; Y140-S153 PolarHBondContact OH-OG 2.79Å; Y140-S153 VanDerWaalsContact OH-OG 3.12Å
154	Y	98.8	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.9	-177.3	65.1	-77.7	0	0	0	109.7	V108 G109 L124 S126 H127 Y156 D174 I175 A178	V108-Y154 HydrophobicContact CG1-CD2 4.11Å; G109-Y154 CarbonylContact O-C 3.54Å; G109-Y154 WeakPolarHBondContact O-CA 3.37Å; L124-Y154 HydrophobicContact CD1-CD1 3.89Å; L124-Y154 HydrophobicContact CD1-CE1 3.91Å; S126-Y154 PolarHBondContact OG-OH 2.92Å; S126-Y154 VanDerWaalsContact OG-OH 3.12Å; H127-Y154 PolarHBondContact CD2-O 3.28Å; H127-Y154 PolarHBondContact NE2-O 3.16Å; Y154-Y156 HydrophobicContact CD2-CD1 4.39Å; Y154-Y156 AromaticContact CE2-CD1 3.74Å; Y154-Y156 HydrophobicContact CE2-CD1 3.74Å; Y154-Y156 AromaticContact CE2-CE1 3.8Å; Y154-Y156 HydrophobicContact CE2-CE1 3.8Å; Y154-Y156 AromaticContact CZ-CE1 3.96Å; Y154-D174 HydrophobicContact CD2-CB 4.2Å; Y154-D174 HydrophobicContact CE2-CB 3.95Å; Y154-I175 HydrophobicContact CE1-CB 4.45Å; Y154-I175 HydrophobicContact CE1-CG1 4.02Å; Y154-I175 HydrophobicContact CE2-CB 4.36Å; Y154-I175 WeakPolarHBondContact OH-CB 3.46Å; Y154-I175 VanDerWaalsContact OH-CG1 3.28Å; Y154-I175 WeakPolarHBondContact OH-CG1 3.42Å; Y154-A178 HydrophobicContact CD1-CB 3.49Å; Y154-A178 VanDerWaalsContact CD1-CB 3.49Å; Y154-A178 HydrophobicContact CD2-CB 4.34Å; Y154-A178 HydrophobicContact CE1-CB 3.94Å; Y154-A178 HydrophobicContact CG-CB 3.73Å
155	D	98.5	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-86.9	138.9	172.2	-93.6	-19.9	0	0	0	110.9	Y35 V108 G109 H127 D132 L133 G160 S162	Y35-D155 VanDerWaalsContact CE1-OD2 3.25Å; Y35-D155 WeakPolarHBondContact CE1-OD2 3.39Å; Y35-D155 VanDerWaalsContact CZ-OD2 3.26Å; Y35-D155 PolarHBondContact OH-OD2 2.69Å; V108-D155 WeakPolarHBondContact CG1-O 3.28Å; G109-D155 PolarHBondContact O-N 2.73Å; H127-D155 IonicContact CD2-OD1 3.46Å; H127-D155 IonicContact CE1-OD1 3.65Å; H127-D155 IonicContact NE2-OD1 3.09Å; H127-D155 PolarHBondContact NE2-OD1 3.14Å; D132-D155 WeakPolarHBondContact CA-OD1 3.31Å; L133-D155 HydrophobicContact CD1-CB 4.4Å; L133-D155 HydrophobicContact CG-CB 4.34Å; L133-D155 PolarHBondContact N-OD1 2.56Å; D155-G160 WeakPolarHBondContact OD2-CA 3.28Å; D155-S162 WeakPolarHBondContact CB-OG 3.4Å; D155-S162 PolarHBondContact O-OG 2.95Å
156	Y	98.3	Very high	97.1	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-61.9	153.4	172.5	-48.3	-43.5	0	0	0	112.1	S126 H127 Y154 G158 Y159 S162 L171 I200 G201 P204	S126-Y156 VanDerWaalsContact C-OH 3.29Å; H127-Y156 AromaticContact CE1-CD2 3.55Å; H127-Y156 AromaticContact CE1-CE2 3.4Å; H127-Y156 WeakPolarHBondContact CE1-CE2 3.39Å; H127-Y156 PolarHBondContact N-OH 3.16Å; H127-Y156 VanDerWaalsContact N-OH 3.17Å; H127-Y156 AromaticContact ND1-CE2 3.7Å; H127-Y156 AromaticContact NE2-CD2 3.82Å; H127-Y156 AromaticContact NE2-CE2 3.74Å; H127-Y156 PolarHBondContact O-OH 3.48Å; Y154-Y156 HydrophobicContact CD2-CD1 4.39Å; Y154-Y156 AromaticContact CE2-CD1 3.74Å; Y154-Y156 HydrophobicContact CE2-CD1 3.74Å; Y154-Y156 AromaticContact CE2-CE1 3.8Å; Y154-Y156 HydrophobicContact CE2-CE1 3.8Å; Y154-Y156 AromaticContact CZ-CE1 3.96Å; Y156-G158 PolarHBondContact O-N 3.18Å; Y156-G158 VanDerWaalsContact O-N 3.1Å; Y156-Y159 HydrophobicContact CD2-CD1 4.42Å; Y156-Y159 HydrophobicContact CD2-CD2 4.33Å; Y156-Y159 HydrophobicContact CD2-CE1 4.37Å; Y156-Y159 HydrophobicContact CD2-CE2 4.29Å; Y156-Y159 HydrophobicContact CD2-CG 4.42Å; Y156-Y159 WeakPolarHBondContact O-CB 3.19Å; Y156-Y159 PolarHBondContact O-N 3.37Å; Y156-S162 WeakPolarHBondContact O-CB 3.36Å; Y156-L171 HydrophobicContact CD1-CD1 3.2Å; Y156-L171 HydrophobicContact CD2-CD1 3.84Å; Y156-L171 HydrophobicContact CE1-CD1 3.47Å; Y156-L171 VanDerWaalsContact CE1-CD1 3.47Å; Y156-L171 HydrophobicContact CE2-CD1 4.08Å; Y156-L171 HydrophobicContact CG-CD1 3.38Å; Y156-I200 HydrophobicContact CE2-CG2 4.32Å; Y156-G201 WeakPolarHBondContact OH-CA 3.47Å; Y156-P204 HydrophobicContact CE1-CG 4.41Å
157	S	98.3	Very high	97.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	121.1	174.1	-69.1	0	0	0	0	111.1	N106 T163 K165 P166 D174	N106-S157 PolarHBondContact ND2-OG 3.24Å; S157-T163 VanDerWaalsContact CA-O 3.29Å; S157-T163 WeakPolarHBondContact CA-O 3.34Å; S157-T163 WeakPolarHBondContact CB-O 3.44Å; S157-K165 CarbonylContact O-C 3.47Å; S157-P166 WeakPolarHBondContact O-CA 3.35Å; S157-P166 WeakPolarHBondContact O-CB 3.32Å; S157-D174 WeakPolarHBondContact CB-OD2 3.47Å; S157-D174 PolarHBondContact N-OD2 3.14Å; S157-D174 PolarHBondContact OG-OD1 3.01Å; S157-D174 PolarHBondContact OG-OD2 3.39Å
158	G	97.3	Very high	97.2	Very high	27 Å²	27	24.1 Å²	24.1	28%	0.278	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	4.8	-175.8	0	0	0	0	0	115.5	P30 Y156 S162 T163	P30-G158 VanDerWaalsContact CB-O 3.31Å; P30-G158 WeakPolarHBondContact CB-O 3.33Å; Y156-G158 PolarHBondContact O-N 3.18Å; Y156-G158 VanDerWaalsContact O-N 3.1Å; G158-S162 WeakPolarHBondContact CA-O 3.45Å; G158-S162 PolarHBondContact N-O 2.8Å; G158-S162 VanDerWaalsContact N-O 3.14Å; G158-T163 PolarHBondContact N-O 3.44Å
159	Y	98.1	Very high	97.2	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.169	C	C	.	.	S	Bend	trans	-104.9	148	169.3	-75.1	-119.9	0	0	0	109.9	F28 L29 P30 H127 N129 V131 Y156 V161 S162 P166	F28-Y159 WeakPolarHBondContact CA-OH 3.4Å; F28-Y159 HydrophobicContact CB-CE2 4.24Å; F28-Y159 WeakPolarHBondContact CB-OH 3.24Å; F28-Y159 HydrophobicContact CD1-CE2 4.21Å; L29-Y159 PolarHBondContact N-OH 3.49Å; L29-Y159 VanDerWaalsContact N-OH 3.12Å; P30-Y159 HydrophobicContact CB-CD1 3.99Å; P30-Y159 HydrophobicContact CB-CD2 3.74Å; P30-Y159 HydrophobicContact CB-CE1 4.06Å; P30-Y159 HydrophobicContact CB-CE2 3.78Å; P30-Y159 HydrophobicContact CB-CG 3.83Å; P30-Y159 HydrophobicContact CG-CE2 4.26Å; H127-Y159 AromaticContact CE1-CD1 3.84Å; N129-Y159 PolarHBondContact OD1-OH 3.4Å; V131-Y159 WeakPolarHBondContact O-CD1 3.4Å; Y156-Y159 HydrophobicContact CD2-CD1 4.42Å; Y156-Y159 HydrophobicContact CD2-CD2 4.33Å; Y156-Y159 HydrophobicContact CD2-CE1 4.37Å; Y156-Y159 HydrophobicContact CD2-CE2 4.29Å; Y156-Y159 HydrophobicContact CD2-CG 4.42Å; Y156-Y159 WeakPolarHBondContact O-CB 3.19Å; Y156-Y159 PolarHBondContact O-N 3.37Å; Y159-V161 PolarHBondContact O-N 3.12Å; Y159-S162 WeakPolarHBondContact O-CA 3.47Å; Y159-S162 VanDerWaalsContact O-CB 3.25Å; Y159-S162 WeakPolarHBondContact O-CB 3.39Å; Y159-S162 PolarHBondContact O-N 3.36Å; Y159-P166 HydrophobicContact CD2-CB 4.22Å; Y159-P166 HydrophobicContact CE2-CB 3.7Å; Y159-P166 HydrophobicContact CE2-CG 4.45Å
160	G	97.2	Very high	97.3	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-121.8	178.2	0	0	0	0	0	113.2	D155	D155-G160 WeakPolarHBondContact OD2-CA 3.28Å
161	V	97.5	Very high	97.3	Very high	32 Å²	32	29.3 Å²	29.3	19%	0.194	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.9	178.6	-58	0	0	0	0	114.1	Y35 F37 F99 Y159	Y35-V161 HydrophobicContact CD2-CG1 4.2Å; Y35-V161 HydrophobicContact CE2-CB 4.35Å; Y35-V161 HydrophobicContact CE2-CG1 3.74Å; Y35-V161 HydrophobicContact CE2-CG2 3.75Å; Y35-V161 WeakPolarHBondContact OH-CG2 3.28Å; F37-V161 HydrophobicContact CD2-CG2 4.02Å; F37-V161 HydrophobicContact CE2-CG2 3.94Å; F37-V161 HydrophobicContact CG-CG2 4.32Å; F37-V161 HydrophobicContact CZ-CG2 4.18Å; F99-V161 HydrophobicContact CE1-CB 4.08Å; F99-V161 HydrophobicContact CE1-CG2 3.5Å; F99-V161 HydrophobicContact CZ-CB 4.23Å; F99-V161 HydrophobicContact CZ-CG2 3.91Å; Y159-V161 PolarHBondContact O-N 3.12Å
162	S	98.4	Very high	97.3	Very high	8 Å²	8	30.9 Å²	30.9	6%	0.056	17%	0.174	C	C	.	.			trans	-73.5	129.8	-179.1	-70.8	0	0	0	0	111.4	R107 V108 G109 D155 Y156 G158 Y159	R107-S162 CarbonylContact O-C 3.57Å; R107-S162 WeakPolarHBondContact O-CA 3.17Å; V108-S162 WeakPolarHBondContact CA-OG 3.49Å; G109-S162 PolarHBondContact N-OG 2.82Å; D155-S162 WeakPolarHBondContact CB-OG 3.4Å; D155-S162 PolarHBondContact O-OG 2.95Å; Y156-S162 WeakPolarHBondContact O-CB 3.36Å; G158-S162 WeakPolarHBondContact CA-O 3.45Å; G158-S162 PolarHBondContact N-O 2.8Å; G158-S162 VanDerWaalsContact N-O 3.14Å; Y159-S162 WeakPolarHBondContact O-CA 3.47Å; Y159-S162 VanDerWaalsContact O-CB 3.25Å; Y159-S162 WeakPolarHBondContact O-CB 3.39Å; Y159-S162 PolarHBondContact O-N 3.36Å
163	T	98.4	Very high	97.3	Very high	45 Å²	45	31.1 Å²	31.1	28%	0.276	18%	0.176	S	C	.	.			trans	-77.4	170.6	178	58.8	0	0	0	0	112.4	R107 S157 G158	R107-T163 HydrophobicContact CB-CG2 4.21Å; R107-T163 PolarHBondContact N-OG1 3.29Å; R107-T163 PolarHBondContact O-N 2.94Å; R107-T163 PolarHBondContact O-OG1 3.42Å; S157-T163 VanDerWaalsContact CA-O 3.29Å; S157-T163 WeakPolarHBondContact CA-O 3.34Å; S157-T163 WeakPolarHBondContact CB-O 3.44Å; G158-T163 PolarHBondContact N-O 3.44Å
164	G	96.5	Very high	97.3	Very high	42 Å²	42	31.1 Å²	31.1	43%	0.433	18%	0.176	S	C	.	.	S	Bend	trans	97.6	-149.2	173.6	0	0	0	0	0	112.3
165	K	95.9	Very high	97.3	Very high	154 Å²	154	31.1 Å²	31.1	67%	0.67	18%	0.176	S	C	*	.			trans	-136.2	145.4	-178.5	-67.7	-177.3	180	177.4	0	110.5	S157 T167 N170	S157-K165 CarbonylContact O-C 3.47Å; K165-T167 HydrophobicContact CB-CG2 4.37Å; K165-T167 PolarHBondContact O-N 2.91Å; K165-T167 VanDerWaalsContact O-N 3.08Å; K165-N170 PolarHBondContact O-ND2 2.86Å
166	P	94.1	Very high	97.3	Very high	35 Å²	35	33.3 Å²	33.3	23%	0.227	19%	0.188	C	C	.	.			trans	-78.3	105.3	-179.5	34	-36.5	0	0	0	108.8	F28 S157 Y159	F28-P166 HydrophobicContact CB-CB 3.57Å; F28-P166 HydrophobicContact CB-CG 3.81Å; F28-P166 HydrophobicContact CD1-CB 4.1Å; F28-P166 HydrophobicContact CD2-CB 3.85Å; F28-P166 HydrophobicContact CD2-CG 4.49Å; F28-P166 VanDerWaalsContact CD2-O 3.23Å; F28-P166 WeakPolarHBondContact CD2-O 3.47Å; F28-P166 HydrophobicContact CG-CB 3.6Å; F28-P166 HydrophobicContact CG-CG 4.31Å; S157-P166 WeakPolarHBondContact O-CA 3.35Å; S157-P166 WeakPolarHBondContact O-CB 3.32Å; Y159-P166 HydrophobicContact CD2-CB 4.22Å; Y159-P166 HydrophobicContact CE2-CB 3.7Å; Y159-P166 HydrophobicContact CE2-CG 4.45Å
167	T	94.5	Very high	97.3	Very high	46 Å²	46	33.5 Å²	33.5	28%	0.282	19%	0.19	S	C	.	.			trans	-141.3	151.4	179.6	64.6	0	0	0	0	108.1	K165 K169 N170 L171	K165-T167 HydrophobicContact CB-CG2 4.37Å; K165-T167 PolarHBondContact O-N 2.91Å; K165-T167 VanDerWaalsContact O-N 3.08Å; T167-K169 PolarHBondContact O-N 3.1Å; T167-K169 VanDerWaalsContact O-N 3.17Å; T167-N170 PolarHBondContact O-N 3.46Å; T167-N170 PolarHBondContact OG1-N 2.87Å; T167-N170 PolarHBondContact OG1-ND2 3.06Å; T167-L171 PolarHBondContact O-N 2.58Å
168	E	94.3	Very high	97.4	Very high	41 Å²	41	33.5 Å²	33.5	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-51.8	-41.9	178.6	-176.7	171.7	-170.4	0	0	113.1	N170 L171 Y172 F243	E168-N170 VanDerWaalsContact C-N 3.34Å; E168-N170 PolarHBondContact O-N 3.21Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 2.73Å; E168-Y172 HydrophobicContact CG-CD2 4.13Å; E168-Y172 HydrophobicContact CG-CE2 3.36Å; E168-Y172 VanDerWaalsContact O-CD2 3.3Å; E168-Y172 WeakPolarHBondContact O-CD2 3.1Å; E168-Y172 PolarHBondContact O-N 3.01Å; E168-Y172 VanDerWaalsContact O-N 3.11Å; E168-Y172 PolarHBondContact OE1-OH 3.09Å; E168-F243 HydrophobicContact CB-CD1 4.04Å; E168-F243 HydrophobicContact CB-CE1 3.6Å; E168-F243 HydrophobicContact CG-CD1 3.67Å; E168-F243 HydrophobicContact CG-CE1 3.76Å; E168-F243 WeakPolarHBondContact OE1-CA 3.25Å; E168-F243 PolarHBondContact OE1-N 3.05Å
169	K	96.1	Very high	97.4	Very high	151 Å²	151	32.7 Å²	32.7	66%	0.657	18%	0.178	S	C	*	.	H	α-helix	trans	-65.9	-35.5	178.5	-65.6	-175.4	180	-176.2	0	113.2	R104 T167 A173	R104-K169 VanDerWaalsContact CD-O 3.3Å; R104-K169 WeakPolarHBondContact CD-O 3.44Å; T167-K169 PolarHBondContact O-N 3.1Å; T167-K169 VanDerWaalsContact O-N 3.17Å; K169-A173 PolarHBondContact O-N 3.21Å
170	N	97.8	Very high	97.4	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-73.8	-40.5	174.7	-73.2	-14.7	0	0	0	110.1	R104 N106 K165 T167 E168 Y172 A173 D174	R104-N170 WeakPolarHBondContact CD-OD1 3.39Å; R104-N170 PolarHBondContact NE-OD1 2.89Å; N106-N170 VanDerWaalsContact ND2-CG 3.34Å; N106-N170 PolarHBondContact ND2-ND2 2.95Å; N106-N170 PolarHBondContact ND2-OD1 3.48Å; K165-N170 PolarHBondContact O-ND2 2.86Å; T167-N170 PolarHBondContact O-N 3.46Å; T167-N170 PolarHBondContact OG1-N 2.87Å; T167-N170 PolarHBondContact OG1-ND2 3.06Å; E168-N170 VanDerWaalsContact C-N 3.34Å; E168-N170 PolarHBondContact O-N 3.21Å; N170-Y172 VanDerWaalsContact C-N 3.29Å; N170-Y172 PolarHBondContact O-N 3.21Å; N170-A173 CarbonylContact O-C 3.6Å; N170-A173 WeakPolarHBondContact O-CA 3.3Å; N170-A173 PolarHBondContact O-N 3.08Å; N170-D174 WeakPolarHBondContact O-CB 3.29Å; N170-D174 PolarHBondContact O-N 3.35Å
171	L	97.2	Very high	97.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-51.9	-46.4	176.2	-165.4	68.7	0	0	0	112.3	F28 Y156 T167 E168 D174 I175 V203 P204 F243	F28-L171 HydrophobicContact CE1-CD1 4.18Å; F28-L171 HydrophobicContact CE1-CD2 4.06Å; F28-L171 HydrophobicContact CZ-CD2 3.99Å; Y156-L171 HydrophobicContact CD1-CD1 3.2Å; Y156-L171 HydrophobicContact CD2-CD1 3.84Å; Y156-L171 HydrophobicContact CE1-CD1 3.47Å; Y156-L171 VanDerWaalsContact CE1-CD1 3.47Å; Y156-L171 HydrophobicContact CE2-CD1 4.08Å; Y156-L171 HydrophobicContact CG-CD1 3.38Å; T167-L171 PolarHBondContact O-N 2.58Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 2.73Å; L171-D174 PolarHBondContact O-N 3.01Å; L171-I175 PolarHBondContact O-N 3.28Å; L171-V203 HydrophobicContact CD2-CB 4.07Å; L171-V203 HydrophobicContact CD2-CG1 4Å; L171-P204 HydrophobicContact CD1-CG 4.23Å; L171-P204 HydrophobicContact CD2-CG 4.23Å; L171-P204 HydrophobicContact CG-CB 4.07Å; L171-P204 HydrophobicContact CG-CG 3.9Å; L171-F243 HydrophobicContact CD2-CE1 4.37Å
172	Y	98.6	Very high	97.4	Very high	34 Å²	34	35.8 Å²	35.8	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-41	173.9	-59.2	-39.4	0	0	0	113.1	E168 N170 D174 I175 D176 V203 D207 K248	E168-Y172 HydrophobicContact CG-CD2 4.13Å; E168-Y172 HydrophobicContact CG-CE2 3.36Å; E168-Y172 VanDerWaalsContact O-CD2 3.3Å; E168-Y172 WeakPolarHBondContact O-CD2 3.1Å; E168-Y172 PolarHBondContact O-N 3.01Å; E168-Y172 VanDerWaalsContact O-N 3.11Å; E168-Y172 PolarHBondContact OE1-OH 3.09Å; N170-Y172 VanDerWaalsContact C-N 3.29Å; N170-Y172 PolarHBondContact O-N 3.21Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 2.97Å; Y172-I175 VanDerWaalsContact O-CG2 3.31Å; Y172-I175 WeakPolarHBondContact O-CG2 3.25Å; Y172-D176 PolarHBondContact O-N 3.5Å; Y172-D176 VanDerWaalsContact O-N 3.14Å; Y172-V203 HydrophobicContact CE1-CG1 3.79Å; Y172-D207 HydrophobicContact CD1-CB 3.53Å; Y172-D207 HydrophobicContact CE1-CB 3.44Å; Y172-D207 VanDerWaalsContact CE1-CB 3.44Å; Y172-D207 HydrophobicContact CG-CB 4.48Å; Y172-K248 PolarHBondContact OH-NZ 2.67Å
173	A	98.8	Very high	97.4	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-28.8	178.3	0	0	0	0	0	113	S102 R104 K169 N170 A177	S102-A173 WeakPolarHBondContact CB-O 3.49Å; R104-A173 HydrophobicContact CB-CB 4.27Å; R104-A173 HydrophobicContact CG-CB 3.64Å; K169-A173 PolarHBondContact O-N 3.21Å; N170-A173 CarbonylContact O-C 3.6Å; N170-A173 WeakPolarHBondContact O-CA 3.3Å; N170-A173 PolarHBondContact O-N 3.08Å; A173-A177 PolarHBondContact O-N 3.05Å; A173-A177 VanDerWaalsContact O-N 3.14Å
174	D	98.8	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76.3	-42.3	-178.7	-61.2	-26.4	0	0	0	110.5	V108 Y154 S157 N170 L171 Y172 D176 A177 A178	V108-D174 HydrophobicContact CG2-CB 4.12Å; V108-D174 VanDerWaalsContact CG2-OD1 3.28Å; V108-D174 WeakPolarHBondContact CG2-OD1 3.33Å; Y154-D174 HydrophobicContact CD2-CB 4.2Å; Y154-D174 HydrophobicContact CE2-CB 3.95Å; S157-D174 WeakPolarHBondContact CB-OD2 3.47Å; S157-D174 PolarHBondContact N-OD2 3.14Å; S157-D174 PolarHBondContact OG-OD1 3.01Å; S157-D174 PolarHBondContact OG-OD2 3.39Å; N170-D174 WeakPolarHBondContact O-CB 3.29Å; N170-D174 PolarHBondContact O-N 3.35Å; L171-D174 PolarHBondContact O-N 3.01Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 2.97Å; D174-D176 VanDerWaalsContact C-N 3.33Å; D174-D176 PolarHBondContact O-N 3.24Å; D174-A177 WeakPolarHBondContact O-CB 3.32Å; D174-A177 PolarHBondContact O-N 3.09Å; D174-A177 VanDerWaalsContact O-N 3.16Å; D174-A178 PolarHBondContact O-N 3.36Å
175	I	98.9	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-36.1	172.7	-158.2	176.6	0	0	0	112.1	L124 Y154 L171 Y172 A177 A178 W179 P204 L208	L124-I175 HydrophobicContact CD2-CD1 4.46Å; L124-I175 HydrophobicContact CD2-CG1 4.12Å; Y154-I175 HydrophobicContact CE1-CB 4.45Å; Y154-I175 HydrophobicContact CE1-CG1 4.02Å; Y154-I175 HydrophobicContact CE2-CB 4.36Å; Y154-I175 WeakPolarHBondContact OH-CB 3.46Å; Y154-I175 VanDerWaalsContact OH-CG1 3.28Å; Y154-I175 WeakPolarHBondContact OH-CG1 3.42Å; L171-I175 PolarHBondContact O-N 3.28Å; Y172-I175 VanDerWaalsContact O-CG2 3.31Å; Y172-I175 WeakPolarHBondContact O-CG2 3.25Å; I175-A177 PolarHBondContact O-N 3.2Å; I175-A178 PolarHBondContact O-N 3.05Å; I175-W179 VanDerWaalsContact O-CB 3.28Å; I175-W179 WeakPolarHBondContact O-CB 3.44Å; I175-W179 PolarHBondContact O-N 2.95Å; I175-P204 HydrophobicContact CB-CB 3.8Å; I175-P204 HydrophobicContact CD1-CB 3.9Å; I175-P204 WeakPolarHBondContact CD1-O 3.1Å; I175-P204 HydrophobicContact CG1-CB 4.38Å; I175-P204 HydrophobicContact CG2-CB 3.68Å; I175-L208 HydrophobicContact CD1-CB 4Å; I175-L208 HydrophobicContact CD1-CD2 3.83Å; I175-L208 HydrophobicContact CG1-CD2 3.96Å; I175-L208 HydrophobicContact CG2-CB 4.26Å
176	D	98.8	Very high	97.2	Very high	46 Å²	46	38.6 Å²	38.6	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-38.9	173.2	-79.7	-27.1	0	0	0	111	Y172 D174 H180 R211	Y172-D176 PolarHBondContact O-N 3.5Å; Y172-D176 VanDerWaalsContact O-N 3.14Å; D174-D176 VanDerWaalsContact C-N 3.33Å; D174-D176 PolarHBondContact O-N 3.24Å; D176-H180 VanDerWaalsContact O-CB 3.31Å; D176-H180 WeakPolarHBondContact O-CB 3.28Å; D176-H180 PolarHBondContact O-N 2.76Å; D176-R211 IonicContact OD1-CZ 3.78Å; D176-R211 VanDerWaalsContact OD1-CZ 3.28Å; D176-R211 IonicContact OD1-NH1 3.43Å; D176-R211 PolarHBondContact OD1-NH1 3.14Å; D176-R211 IonicContact OD1-NH2 3.9Å; D176-R211 PolarHBondContact OD1-NH2 3.28Å; D176-R211 IonicContact OD2-NH1 3.68Å; D176-R211 IonicContact OD2-NH2 3.11Å
177	A	98.8	Very high	97.3	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-40.6	177.7	0	0	0	0	0	112.3	T100 A173 D174 I175 H180 A181	T100-A177 HydrophobicContact CG2-CB 3.71Å; A173-A177 PolarHBondContact O-N 3.05Å; A173-A177 VanDerWaalsContact O-N 3.14Å; D174-A177 WeakPolarHBondContact O-CB 3.32Å; D174-A177 PolarHBondContact O-N 3.09Å; D174-A177 VanDerWaalsContact O-N 3.16Å; I175-A177 PolarHBondContact O-N 3.2Å; A177-H180 PolarHBondContact O-N 3.03Å; A177-A181 WeakPolarHBondContact O-CB 3.27Å; A177-A181 PolarHBondContact O-N 3.38Å
178	A	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-48	174.8	0	0	0	0	0	112	L124 F152 Y154 D174 I175 H180 A181 L182	L124-A178 HydrophobicContact CD1-CB 3.91Å; F152-A178 HydrophobicContact CE1-CB 3.74Å; Y154-A178 HydrophobicContact CD1-CB 3.49Å; Y154-A178 VanDerWaalsContact CD1-CB 3.49Å; Y154-A178 HydrophobicContact CD2-CB 4.34Å; Y154-A178 HydrophobicContact CE1-CB 3.94Å; Y154-A178 HydrophobicContact CG-CB 3.73Å; D174-A178 PolarHBondContact O-N 3.36Å; I175-A178 PolarHBondContact O-N 3.05Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.3Å; A178-A181 PolarHBondContact O-N 3.23Å; A178-L182 PolarHBondContact O-N 3.04Å
179	W	98.7	Very high	97.5	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.038	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-45.8	173.6	174.6	-106.5	0	0	0	111.7	L124 I175 L182 R183 P190 I193 L195 L208 Y212 C214	L124-W179 HydrophobicContact CD2-CB 4.3Å; L124-W179 HydrophobicContact CD2-CE3 4.24Å; I175-W179 VanDerWaalsContact O-CB 3.28Å; I175-W179 WeakPolarHBondContact O-CB 3.44Å; I175-W179 PolarHBondContact O-N 2.95Å; W179-L182 PolarHBondContact O-N 3.02Å; W179-R183 WeakPolarHBondContact O-CG 3.47Å; W179-R183 PolarHBondContact O-N 3Å; W179-P190 HydrophobicContact CH2-CB 3.8Å; W179-P190 HydrophobicContact CH2-CG 4.19Å; W179-P190 HydrophobicContact CZ2-CB 4.05Å; W179-P190 HydrophobicContact CZ2-CG 3.97Å; W179-I193 HydrophobicContact CE3-CD1 4.02Å; W179-I193 HydrophobicContact CE3-CG2 4.25Å; W179-I193 HydrophobicContact CH2-CD1 4.07Å; W179-I193 HydrophobicContact CZ3-CB 3.93Å; W179-I193 HydrophobicContact CZ3-CD1 3.63Å; W179-I193 HydrophobicContact CZ3-CG1 4.37Å; W179-I193 HydrophobicContact CZ3-CG2 3.7Å; W179-L195 HydrophobicContact CE3-CD2 4.11Å; W179-L195 HydrophobicContact CZ3-CD2 3.99Å; W179-L208 HydrophobicContact CB-CD1 4.2Å; W179-L208 HydrophobicContact CB-CD2 3.89Å; W179-L208 HydrophobicContact CD2-CD2 3.96Å; W179-L208 HydrophobicContact CE3-CD2 3.78Å; W179-L208 HydrophobicContact CG-CD1 4.12Å; W179-L208 HydrophobicContact CG-CD2 4.04Å; W179-Y212 HydrophobicContact CZ2-CG 4.28Å; W179-C214 HydrophobicContact CH2-CB 4.28Å; W179-C214 HydrophobicContact CZ3-CB 4.46Å
180	H	98.4	Very high	97.6	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-46.5	176.7	-172.7	70.3	0	0	0	111.6	D176 A177 A178 L182 R183 T184	D176-H180 VanDerWaalsContact O-CB 3.31Å; D176-H180 WeakPolarHBondContact O-CB 3.28Å; D176-H180 PolarHBondContact O-N 2.76Å; A177-H180 PolarHBondContact O-N 3.03Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.3Å; H180-L182 PolarHBondContact O-N 3.15Å; H180-R183 PolarHBondContact O-N 2.83Å; H180-R183 VanDerWaalsContact O-N 3.15Å; H180-T184 WeakPolarHBondContact CE1-CG2 3.45Å; H180-T184 PolarHBondContact O-N 3.13Å; H180-T184 PolarHBondContact O-OG1 2.85Å
181	A	97.9	Very high	97.5	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-43.8	178.7	0	0	0	0	0	112.2	F98 F152 A177 A178 R183 T184 R185	F98-A181 HydrophobicContact CE2-CB 4.01Å; F98-A181 HydrophobicContact CZ-CB 4Å; F152-A181 HydrophobicContact CZ-CB 4.29Å; A177-A181 WeakPolarHBondContact O-CB 3.27Å; A177-A181 PolarHBondContact O-N 3.38Å; A178-A181 PolarHBondContact O-N 3.23Å; A181-R183 VanDerWaalsContact C-N 3.3Å; A181-R183 PolarHBondContact O-N 2.91Å; A181-T184 PolarHBondContact O-N 2.77Å; A181-R185 WeakPolarHBondContact O-CA 3.46Å; A181-R185 WeakPolarHBondContact O-CB 3.39Å; A181-R185 PolarHBondContact O-N 2.85Å
182	L	96.6	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-45	174.5	-85.7	176.2	0	0	0	112.6	T122 L124 F152 A178 W179 H180 Y186 C187 I188 I193	T122-L182 HydrophobicContact CG2-CD2 3.91Å; L124-L182 HydrophobicContact CB-CD1 3.76Å; L124-L182 HydrophobicContact CD1-CD1 4.05Å; L124-L182 HydrophobicContact CD2-CD1 4.14Å; L124-L182 HydrophobicContact CG-CD1 4.19Å; F152-L182 HydrophobicContact CB-CD1 4.09Å; F152-L182 HydrophobicContact CB-CD2 3.65Å; F152-L182 HydrophobicContact CB-CG 4.15Å; F152-L182 HydrophobicContact CD1-CD1 4.04Å; F152-L182 HydrophobicContact CD1-CD2 4.32Å; F152-L182 HydrophobicContact CD1-CG 3.98Å; F152-L182 HydrophobicContact CD2-CD2 3.42Å; F152-L182 VanDerWaalsContact CD2-CD2 3.42Å; F152-L182 HydrophobicContact CD2-CG 3.81Å; F152-L182 HydrophobicContact CE1-CG 4.36Å; F152-L182 HydrophobicContact CE2-CD2 4.14Å; F152-L182 HydrophobicContact CE2-CG 4.18Å; F152-L182 HydrophobicContact CG-CD1 3.97Å; F152-L182 HydrophobicContact CG-CD2 3.52Å; F152-L182 HydrophobicContact CG-CG 3.69Å; F152-L182 HydrophobicContact CZ-CG 4.43Å; A178-L182 PolarHBondContact O-N 3.04Å; W179-L182 PolarHBondContact O-N 3.02Å; H180-L182 PolarHBondContact O-N 3.15Å; L182-Y186 HydrophobicContact CD2-CD2 4.15Å; L182-Y186 PolarHBondContact O-N 2.74Å; L182-C187 PolarHBondContact O-N 3.16Å; L182-I188 HydrophobicContact CD2-CD1 4.01Å; L182-I188 PolarHBondContact O-N 2.91Å; L182-I193 HydrophobicContact CB-CD1 4.32Å; L182-I193 HydrophobicContact CD1-CD1 4.47Å; L182-I193 HydrophobicContact CD1-CG2 4.37Å
183	R	97.4	Very high	97.5	Very high	110 Å²	110	41.1 Å²	41.1	42%	0.415	21%	0.207	S	C	.	.	H	α-helix	trans	-76.5	-33	-176	-67.8	-174.5	63.8	-147.3	-0.9	113.5	W179 H180 A181 C187 I188 I193	W179-R183 WeakPolarHBondContact O-CG 3.47Å; W179-R183 PolarHBondContact O-N 3Å; H180-R183 PolarHBondContact O-N 2.83Å; H180-R183 VanDerWaalsContact O-N 3.15Å; A181-R183 VanDerWaalsContact C-N 3.3Å; A181-R183 PolarHBondContact O-N 2.91Å; R183-C187 VanDerWaalsContact O-CA 3.29Å; R183-C187 WeakPolarHBondContact O-CA 3.3Å; R183-I188 WeakPolarHBondContact CG-O 3.42Å; R183-I193 HydrophobicContact CG-CD1 4.16Å
184	T	96.7	Very high	97.5	Very high	78 Å²	78	40.9 Å²	40.9	48%	0.479	21%	0.205	S	C	.	.	H	α-helix	trans	-98.1	-43.9	-174.7	58.1	0	0	0	0	113.2	H180 A181	H180-T184 WeakPolarHBondContact CE1-CG2 3.45Å; H180-T184 PolarHBondContact O-N 3.13Å; H180-T184 PolarHBondContact O-OG1 2.85Å; A181-T184 PolarHBondContact O-N 2.77Å
185	R	95.3	Very high	97.5	Very high	87 Å²	87	41 Å²	41	33%	0.328	21%	0.206	S	C	.	.	H	α-helix	trans	-74.5	-41.2	-179.9	-174.6	177	176.2	78.5	4.4	112	E72 E96 A181	E72-R185 IonicContact OE1-NH1 2.74Å; E72-R185 PolarHBondContact OE1-NH1 3.12Å; E72-R185 IonicContact OE2-NH1 3.62Å; E72-R185 PolarHBondContact OE2-NH1 2.98Å; E96-R185 IonicContact OE1-CZ 3.63Å; E96-R185 IonicContact OE1-NE 3.28Å; E96-R185 PolarHBondContact OE1-NE 3.43Å; E96-R185 IonicContact OE1-NH2 3.6Å; E96-R185 PolarHBondContact OE1-NH2 3.12Å; A181-R185 WeakPolarHBondContact O-CA 3.46Å; A181-R185 WeakPolarHBondContact O-CB 3.39Å; A181-R185 PolarHBondContact O-N 2.85Å
186	Y	94.8	Very high	97.5	Very high	33 Å²	33	41.1 Å²	41.1	13%	0.129	21%	0.206	C	C	.	.	S	Bend	trans	-108.9	1.8	-175.7	-55.4	-61.8	0	0	0	113.8	E96 F98 Y112 R114 F152 L182 I188	E96-Y186 PolarHBondContact OE1-OH 3.47Å; E96-Y186 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y186 PolarHBondContact OE2-OH 2.95Å; F98-Y186 HydrophobicContact CE1-CE2 4.01Å; F98-Y186 WeakPolarHBondContact CE1-OH 3.45Å; F98-Y186 HydrophobicContact CZ-CE2 4.17Å; Y112-Y186 HydrophobicContact CD1-CD1 4.05Å; Y112-Y186 HydrophobicContact CD1-CD2 4.02Å; Y112-Y186 AromaticContact CD1-CE1 3.59Å; Y112-Y186 HydrophobicContact CD1-CE1 3.59Å; Y112-Y186 AromaticContact CD1-CE2 3.57Å; Y112-Y186 HydrophobicContact CD1-CE2 3.57Å; Y112-Y186 HydrophobicContact CD1-CG 4.23Å; Y112-Y186 AromaticContact CD1-CZ 3.32Å; Y112-Y186 AromaticContact CE1-CD1 3.8Å; Y112-Y186 HydrophobicContact CE1-CD1 3.8Å; Y112-Y186 AromaticContact CE1-CD2 3.92Å; Y112-Y186 HydrophobicContact CE1-CD2 3.92Å; Y112-Y186 AromaticContact CE1-CE1 3.83Å; Y112-Y186 HydrophobicContact CE1-CE1 3.83Å; Y112-Y186 AromaticContact CE1-CE2 3.97Å; Y112-Y186 HydrophobicContact CE1-CE2 3.97Å; Y112-Y186 AromaticContact CE1-CG 3.82Å; Y112-Y186 HydrophobicContact CE1-CG 3.82Å; Y112-Y186 AromaticContact CE1-CZ 3.91Å; Y112-Y186 HydrophobicContact CG-CE2 4.13Å; R114-Y186 VanDerWaalsContact NH2-CE1 3.31Å; F152-Y186 HydrophobicContact CD2-CE2 4.06Å; F152-Y186 AromaticContact CE2-CE2 3.87Å; F152-Y186 HydrophobicContact CE2-CE2 3.87Å; L182-Y186 HydrophobicContact CD2-CD2 4.15Å; L182-Y186 PolarHBondContact O-N 2.74Å; Y186-I188 WeakPolarHBondContact O-CG1 3.42Å; Y186-I188 PolarHBondContact O-N 3.11Å; Y186-I188 VanDerWaalsContact O-N 3.1Å
187	C	96	Very high	97.5	Very high	101 Å²	101	38.9 Å²	38.9	68%	0.682	19%	0.194	S	C	*	.			trans	53.9	29.8	178.2	-55.9	0	0	0	0	114	L182 R183 I189	L182-C187 PolarHBondContact O-N 3.16Å; R183-C187 VanDerWaalsContact O-CA 3.29Å; R183-C187 WeakPolarHBondContact O-CA 3.3Å; C187-I189 PolarHBondContact O-N 3.34Å
188	I	96.4	Very high	97.5	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.108	20%	0.197	C	C	.	.			trans	-81.1	122.4	-179.4	-49.4	-171.2	0	0	0	108.7	T122 L182 R183 Y186 N192 I193	T122-I188 HydrophobicContact CG2-CD1 4Å; T122-I188 VanDerWaalsContact OG1-CD1 3.31Å; T122-I188 WeakPolarHBondContact OG1-CD1 3.28Å; L182-I188 HydrophobicContact CD2-CD1 4.01Å; L182-I188 PolarHBondContact O-N 2.91Å; R183-I188 WeakPolarHBondContact CG-O 3.42Å; Y186-I188 WeakPolarHBondContact O-CG1 3.42Å; Y186-I188 PolarHBondContact O-N 3.11Å; Y186-I188 VanDerWaalsContact O-N 3.1Å; I188-N192 HydrophobicContact CG2-CB 3.96Å; I188-I193 HydrophobicContact CB-CD1 4.41Å; I188-I193 HydrophobicContact CB-CG1 4.35Å; I188-I193 HydrophobicContact CG2-CD1 4.2Å; I188-I193 HydrophobicContact CG2-CG1 3.63Å
189	I	96.9	Very high	97.4	Very high	90 Å²	90	40.3 Å²	40.3	46%	0.462	20%	0.202	S	C	.	.			trans	-75.5	148.6	177.2	63.1	175.2	0	0	0	110.9	C187 E191 N192	C187-I189 PolarHBondContact O-N 3.34Å; I189-E191 WeakPolarHBondContact CB-OE2 3.32Å; I189-E191 HydrophobicContact CD1-CB 4.41Å; I189-E191 PolarHBondContact O-N 3Å; I189-E191 VanDerWaalsContact O-N 3.11Å; I189-N192 HydrophobicContact CG1-CB 4.24Å; I189-N192 PolarHBondContact O-N 3.39Å
190	P	97.4	Very high	97.4	Very high	21 Å²	21	40.4 Å²	40.4	14%	0.136	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-50.5	-35.7	-177.9	-30.2	38	0	0	0	115.2	W179 N192 I193 E213 C214 A215	W179-P190 HydrophobicContact CH2-CB 3.8Å; W179-P190 HydrophobicContact CH2-CG 4.19Å; W179-P190 HydrophobicContact CZ2-CB 4.05Å; W179-P190 HydrophobicContact CZ2-CG 3.97Å; P190-N192 PolarHBondContact O-N 3.21Å; P190-N192 VanDerWaalsContact O-N 3.16Å; P190-I193 PolarHBondContact O-N 3.17Å; P190-E213 WeakPolarHBondContact CB-O 3.22Å; P190-C214 WeakPolarHBondContact O-CA 3.25Å; P190-A215 PolarHBondContact O-N 2.97Å; P190-A215 VanDerWaalsContact O-N 3.15Å
191	E	96.8	Very high	97.4	Very high	94 Å²	94	35.1 Å²	35.1	44%	0.439	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.2	-12.8	-179.5	-58.8	73.4	-160	0	0	113.1	I189 A215	I189-E191 WeakPolarHBondContact CB-OE2 3.32Å; I189-E191 HydrophobicContact CD1-CB 4.41Å; I189-E191 PolarHBondContact O-N 3Å; I189-E191 VanDerWaalsContact O-N 3.11Å; E191-A215 WeakPolarHBondContact O-CB 3.4Å
192	N	97.1	Very high	97.4	Very high	48 Å²	48	35 Å²	35	26%	0.257	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-108.1	7.2	174.4	-72	-16.2	0	0	0	112.7	R120 F121 T122 I188 I189 P190	R120-N192 WeakPolarHBondContact O-CB 3.42Å; F121-N192 WeakPolarHBondContact CA-O 3.31Å; T122-N192 PolarHBondContact N-O 2.7Å; I188-N192 HydrophobicContact CG2-CB 3.96Å; I189-N192 HydrophobicContact CG1-CB 4.24Å; I189-N192 PolarHBondContact O-N 3.39Å; P190-N192 PolarHBondContact O-N 3.21Å; P190-N192 VanDerWaalsContact O-N 3.16Å
193	I	98.6	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.9	179.6	-57.6	172.3	0	0	0	110	T122 L124 W179 L182 R183 I188 P190 L195 C214 A215	T122-I193 WeakPolarHBondContact O-CA 3.31Å; L124-I193 HydrophobicContact CB-CG2 4.09Å; W179-I193 HydrophobicContact CE3-CD1 4.02Å; W179-I193 HydrophobicContact CE3-CG2 4.25Å; W179-I193 HydrophobicContact CH2-CD1 4.07Å; W179-I193 HydrophobicContact CZ3-CB 3.93Å; W179-I193 HydrophobicContact CZ3-CD1 3.63Å; W179-I193 HydrophobicContact CZ3-CG1 4.37Å; W179-I193 HydrophobicContact CZ3-CG2 3.7Å; L182-I193 HydrophobicContact CB-CD1 4.32Å; L182-I193 HydrophobicContact CD1-CD1 4.47Å; L182-I193 HydrophobicContact CD1-CG2 4.37Å; R183-I193 HydrophobicContact CG-CD1 4.16Å; I188-I193 HydrophobicContact CB-CD1 4.41Å; I188-I193 HydrophobicContact CB-CG1 4.35Å; I188-I193 HydrophobicContact CG2-CD1 4.2Å; I188-I193 HydrophobicContact CG2-CG1 3.63Å; P190-I193 PolarHBondContact O-N 3.17Å; I193-L195 HydrophobicContact CG2-CD2 4.01Å; I193-C214 WeakPolarHBondContact O-CB 3.47Å; I193-A215 WeakPolarHBondContact O-CB 3.38Å; I193-A215 PolarHBondContact O-N 3.17Å
194	I	98.8	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124	169.4	-61.5	171.8	0	0	0	107.4	F121 T122 V123 L124 A215 A216 I218 I310 L314	F121-I194 HydrophobicContact CB-CD1 3.84Å; F121-I194 HydrophobicContact CB-CG1 4.31Å; F121-I194 HydrophobicContact CD1-CD1 4.38Å; F121-I194 HydrophobicContact CD1-CG1 4.4Å; F121-I194 HydrophobicContact CD2-CD1 4.4Å; F121-I194 HydrophobicContact CG-CD1 3.98Å; F121-I194 HydrophobicContact CG-CG1 4.44Å; T122-I194 PolarHBondContact O-N 3.06Å; V123-I194 CarbonylContact C-O 3.31Å; V123-I194 VanDerWaalsContact CA-O 3.28Å; V123-I194 WeakPolarHBondContact CA-O 3.43Å; V123-I194 HydrophobicContact CG2-CB 4.32Å; L124-I194 PolarHBondContact N-O 3.45Å; I194-A215 HydrophobicContact CG1-CB 4.06Å; I194-A216 WeakPolarHBondContact CA-O 3.01Å; I194-A216 HydrophobicContact CG1-CB 4.37Å; I194-A216 HydrophobicContact CG2-CB 4.3Å; I194-I218 HydrophobicContact CG2-CD1 3.72Å; I194-I218 HydrophobicContact CG2-CG1 4.08Å; I194-I310 HydrophobicContact CD1-CD1 4.07Å; I194-I310 HydrophobicContact CD1-CG1 3.93Å; I194-I310 HydrophobicContact CD1-CG2 4.01Å; I194-L314 HydrophobicContact CD1-CD1 4.01Å; I194-L314 HydrophobicContact CG1-CD1 4.36Å
195	L	98.9	Very high	97.7	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.8	173.7	-57.1	-179.5	0	0	0	108.7	L124 W179 I193 T205 L208 A209 C214 A216 V217 I218	L124-L195 HydrophobicContact CB-CD2 3.88Å; L124-L195 HydrophobicContact CD2-CD2 3.73Å; L124-L195 HydrophobicContact CG-CD2 4.13Å; W179-L195 HydrophobicContact CE3-CD2 4.11Å; W179-L195 HydrophobicContact CZ3-CD2 3.99Å; I193-L195 HydrophobicContact CG2-CD2 4.01Å; L195-T205 HydrophobicContact CB-CG2 3.91Å; L195-L208 HydrophobicContact CD1-CB 4.37Å; L195-L208 HydrophobicContact CD1-CD2 3.95Å; L195-L208 HydrophobicContact CD1-CG 4.26Å; L195-L208 HydrophobicContact CD2-CD2 3.79Å; L195-A209 HydrophobicContact CD1-CB 3.84Å; L195-C214 HydrophobicContact CD1-CB 4.46Å; L195-C214 HydrophobicContact CG-CB 4.29Å; L195-A216 PolarHBondContact N-O 3.02Å; L195-V217 CarbonylContact O-C 3.59Å; L195-V217 WeakPolarHBondContact O-CA 3.48Å; L195-I218 PolarHBondContact O-N 3.12Å
196	Y	98.9	Very high	97.8	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.3	178.1	-168.6	-62.8	0	0	0	109.1	V123 L124 F125 S126 Q198 I218 H220 Y302 L306	V123-Y196 VanDerWaalsContact CG1-CB 3.42Å; V123-Y196 HydrophobicContact CG1-CD2 4.44Å; V123-Y196 HydrophobicContact CG1-CG 4.27Å; L124-Y196 PolarHBondContact O-N 2.99Å; F125-Y196 CarbonylContact C-O 3.55Å; F125-Y196 WeakPolarHBondContact CA-O 3.24Å; F125-Y196 HydrophobicContact CD1-CD1 4.39Å; F125-Y196 AromaticContact CD2-CD1 3.53Å; F125-Y196 HydrophobicContact CD2-CD1 3.53Å; F125-Y196 HydrophobicContact CD2-CD2 4.29Å; F125-Y196 HydrophobicContact CD2-CE1 4.13Å; F125-Y196 AromaticContact CD2-CG 3.66Å; F125-Y196 HydrophobicContact CD2-CG 3.66Å; F125-Y196 HydrophobicContact CE1-CD1 4.1Å; F125-Y196 HydrophobicContact CE1-CE1 4.29Å; F125-Y196 AromaticContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD2 4.12Å; F125-Y196 AromaticContact CE2-CE1 3.29Å; F125-Y196 HydrophobicContact CE2-CE1 3.29Å; F125-Y196 HydrophobicContact CE2-CE2 4.19Å; F125-Y196 AromaticContact CE2-CG 3.66Å; F125-Y196 HydrophobicContact CE2-CG 3.66Å; F125-Y196 AromaticContact CE2-CZ 3.82Å; F125-Y196 HydrophobicContact CG-CD1 4.14Å; F125-Y196 HydrophobicContact CG-CG 4.43Å; F125-Y196 AromaticContact CZ-CD1 3.49Å; F125-Y196 HydrophobicContact CZ-CD1 3.49Å; F125-Y196 VanDerWaalsContact CZ-CD1 3.49Å; F125-Y196 AromaticContact CZ-CE1 3.39Å; F125-Y196 HydrophobicContact CZ-CE1 3.39Å; F125-Y196 HydrophobicContact CZ-CG 4.41Å; S126-Y196 PolarHBondContact N-O 3.05Å; Y196-Q198 HydrophobicContact CE1-CB 4.3Å; Y196-I218 WeakPolarHBondContact CA-O 3.3Å; Y196-I218 HydrophobicContact CD2-CB 3.59Å; Y196-I218 HydrophobicContact CD2-CD1 3.77Å; Y196-I218 HydrophobicContact CD2-CG1 4.27Å; Y196-I218 HydrophobicContact CD2-CG2 3.59Å; Y196-I218 HydrophobicContact CE2-CB 3.99Å; Y196-I218 HydrophobicContact CE2-CD1 4.21Å; Y196-I218 HydrophobicContact CE2-CG2 3.41Å; Y196-I218 VanDerWaalsContact CE2-CG2 3.41Å; Y196-I218 HydrophobicContact CG-CB 4.13Å; Y196-I218 HydrophobicContact CG-CG2 4.32Å; Y196-H220 HydrophobicContact CE1-CB 3.74Å; Y196-H220 AromaticContact CZ-ND1 3.99Å; Y196-H220 WeakPolarHBondContact OH-CB 3.25Å; Y196-H220 PolarHBondContact OH-ND1 3.25Å; Y196-Y302 WeakPolarHBondContact OH-CE2 3.46Å; Y196-Y302 PolarHBondContact OH-OH 3.37Å; Y196-L306 HydrophobicContact CE2-CD2 4.23Å
197	G	98.8	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.9	172.3	0	0	0	0	0	111.1	T202 T205 I218 H220	G197-T202 WeakPolarHBondContact O-CG2 3.2Å; G197-T205 WeakPolarHBondContact CA-OG1 3.49Å; G197-I218 PolarHBondContact N-O 3.24Å; G197-H220 PolarHBondContact O-N 2.9Å
198	Q	98.6	Very high	98.1	Very high	21 Å²	21	16.4 Å²	16.4	10%	0.098	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	171.6	-177.7	176.7	19.3	0	0	110.8	F125 S126 Y196 I200 G201 H220 E297	F125-Q198 HydrophobicContact CE1-CB 4.23Å; F125-Q198 HydrophobicContact CZ-CB 4.3Å; S126-Q198 PolarHBondContact O-N 3.35Å; Y196-Q198 HydrophobicContact CE1-CB 4.3Å; Q198-I200 PolarHBondContact O-N 2.94Å; Q198-I200 VanDerWaalsContact O-N 3.17Å; Q198-G201 WeakPolarHBondContact O-CA 3.39Å; Q198-G201 PolarHBondContact O-N 2.83Å; Q198-H220 CarbonylContact C-O 3.48Å; Q198-H220 WeakPolarHBondContact CA-O 3.38Å; Q198-H220 HydrophobicContact CB-CB 4.41Å; Q198-H220 HydrophobicContact CG-CB 4.49Å; Q198-E297 PolarHBondContact NE2-OE1 2.88Å
199	S	97.3	Very high	98.3	Very high	15 Å²	15	15.5 Å²	15.5	11%	0.105	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	52	-120.5	177.4	-174	0	0	0	0	110.7	G201 T202 H220 S221 H293	S199-G201 PolarHBondContact O-N 2.87Å; S199-G201 VanDerWaalsContact O-N 3.15Å; S199-T202 WeakPolarHBondContact O-CB 3.42Å; S199-T202 WeakPolarHBondContact O-CG2 3.4Å; S199-T202 PolarHBondContact O-N 2.56Å; S199-T202 PolarHBondContact O-OG1 3Å; S199-H220 PolarHBondContact N-O 2.62Å; S199-S221 WeakPolarHBondContact CA-O 3.47Å; S199-H293 VanDerWaalsContact CB-NE2 3.3Å; S199-H293 WeakPolarHBondContact CB-NE2 3.16Å; S199-H293 PolarHBondContact OG-CE1 3.26Å; S199-H293 PolarHBondContact OG-NE2 3.38Å
200	I	96.8	Very high	98.3	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.056	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.9	174.7	-160.8	165.9	0	0	0	113.8	F28 N129 Y156 Q198 T202 V203 P204 F243	F28-I200 HydrophobicContact CD1-CD1 3.61Å; F28-I200 HydrophobicContact CE1-CD1 3.41Å; F28-I200 VanDerWaalsContact CE1-CD1 3.41Å; F28-I200 HydrophobicContact CE1-CG1 4.26Å; F28-I200 HydrophobicContact CZ-CD1 4.16Å; N129-I200 HydrophobicContact CB-CG2 3.9Å; Y156-I200 HydrophobicContact CE2-CG2 4.32Å; Q198-I200 PolarHBondContact O-N 2.94Å; Q198-I200 VanDerWaalsContact O-N 3.17Å; I200-T202 PolarHBondContact O-N 2.63Å; I200-V203 HydrophobicContact CG1-CG2 4.42Å; I200-V203 VanDerWaalsContact O-CB 3.25Å; I200-V203 WeakPolarHBondContact O-CB 3.3Å; I200-V203 VanDerWaalsContact O-CG2 3.23Å; I200-V203 WeakPolarHBondContact O-CG2 3.39Å; I200-V203 PolarHBondContact O-N 3.19Å; I200-P204 WeakPolarHBondContact O-CD 3.47Å; I200-F243 HydrophobicContact CD1-CE2 4.22Å; I200-F243 HydrophobicContact CD1-CZ 4.28Å
201	G	98.4	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-65.2	-15.4	175.1	0	0	0	0	0	114	S126 Y156 Q198 S199 V203 P204 T205	S126-G201 VanDerWaalsContact CB-O 3.24Å; S126-G201 WeakPolarHBondContact CB-O 3.47Å; Y156-G201 WeakPolarHBondContact OH-CA 3.47Å; Q198-G201 WeakPolarHBondContact O-CA 3.39Å; Q198-G201 PolarHBondContact O-N 2.83Å; S199-G201 PolarHBondContact O-N 2.87Å; S199-G201 VanDerWaalsContact O-N 3.15Å; G201-V203 PolarHBondContact O-N 2.89Å; G201-P204 VanDerWaalsContact O-CD 3.28Å; G201-P204 WeakPolarHBondContact O-CD 3.49Å; G201-P204 WeakPolarHBondContact O-CG 3.28Å; G201-T205 WeakPolarHBondContact O-CB 3.5Å; G201-T205 PolarHBondContact O-N 3.15Å; G201-T205 PolarHBondContact O-OG1 3.47Å
202	T	98.8	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.3	-23.7	171.4	63.7	0	0	0	0	112.2	G197 S199 I200 T205 V206 L219 P222 L223	G197-T202 WeakPolarHBondContact O-CG2 3.2Å; S199-T202 WeakPolarHBondContact O-CB 3.42Å; S199-T202 WeakPolarHBondContact O-CG2 3.4Å; S199-T202 PolarHBondContact O-N 2.56Å; S199-T202 PolarHBondContact O-OG1 3Å; I200-T202 PolarHBondContact O-N 2.63Å; T202-T205 PolarHBondContact O-N 2.79Å; T202-V206 WeakPolarHBondContact O-CB 3.22Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.35Å; T202-V206 PolarHBondContact O-N 3.18Å; T202-L219 HydrophobicContact CG2-CB 4.35Å; T202-L219 HydrophobicContact CG2-CD2 4.23Å; T202-P222 HydrophobicContact CG2-CB 3.74Å; T202-L223 VanDerWaalsContact OG1-CD2 3.3Å; T202-L223 WeakPolarHBondContact OG1-CD2 3.16Å
203	V	98.5	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-58.5	179.6	179.7	0	0	0	0	113	L171 Y172 I200 G201 T205 D207 L223 F243 N245	L171-V203 HydrophobicContact CD2-CB 4.07Å; L171-V203 HydrophobicContact CD2-CG1 4Å; Y172-V203 HydrophobicContact CE1-CG1 3.79Å; I200-V203 HydrophobicContact CG1-CG2 4.42Å; I200-V203 VanDerWaalsContact O-CB 3.25Å; I200-V203 WeakPolarHBondContact O-CB 3.3Å; I200-V203 VanDerWaalsContact O-CG2 3.23Å; I200-V203 WeakPolarHBondContact O-CG2 3.39Å; I200-V203 PolarHBondContact O-N 3.19Å; G201-V203 PolarHBondContact O-N 2.89Å; V203-T205 VanDerWaalsContact C-N 3.26Å; V203-T205 PolarHBondContact O-N 3.17Å; V203-D207 PolarHBondContact O-N 3.45Å; V203-D207 VanDerWaalsContact O-N 3.15Å; V203-L223 HydrophobicContact CG2-CD1 4.38Å; V203-L223 HydrophobicContact CG2-CD2 3.63Å; V203-L223 HydrophobicContact CG2-CG 4.27Å; V203-F243 HydrophobicContact CB-CB 4.28Å; V203-F243 HydrophobicContact CB-CD1 4.42Å; V203-F243 HydrophobicContact CB-CG 4.46Å; V203-F243 HydrophobicContact CG1-CB 3.69Å; V203-F243 HydrophobicContact CG1-CD1 3.53Å; V203-F243 HydrophobicContact CG1-CE1 4.41Å; V203-F243 HydrophobicContact CG1-CG 3.86Å; V203-F243 HydrophobicContact CG2-CB 3.58Å; V203-F243 HydrophobicContact CG2-CD1 4.27Å; V203-F243 HydrophobicContact CG2-CD2 4.39Å; V203-F243 HydrophobicContact CG2-CG 3.85Å; V203-N245 WeakPolarHBondContact CA-OD1 3.35Å
204	P	98.8	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.4	-33.3	176.3	26.8	-34.5	0	0	0	111.6	Y156 L171 I175 I200 G201 D207 L208	Y156-P204 HydrophobicContact CE1-CG 4.41Å; L171-P204 HydrophobicContact CD1-CG 4.23Å; L171-P204 HydrophobicContact CD2-CG 4.23Å; L171-P204 HydrophobicContact CG-CB 4.07Å; L171-P204 HydrophobicContact CG-CG 3.9Å; I175-P204 HydrophobicContact CB-CB 3.8Å; I175-P204 HydrophobicContact CD1-CB 3.9Å; I175-P204 WeakPolarHBondContact CD1-O 3.1Å; I175-P204 HydrophobicContact CG1-CB 4.38Å; I175-P204 HydrophobicContact CG2-CB 3.68Å; I200-P204 WeakPolarHBondContact O-CD 3.47Å; G201-P204 VanDerWaalsContact O-CD 3.28Å; G201-P204 WeakPolarHBondContact O-CD 3.49Å; G201-P204 WeakPolarHBondContact O-CG 3.28Å; P204-D207 PolarHBondContact O-N 3.32Å; P204-L208 WeakPolarHBondContact O-CB 3.41Å; P204-L208 PolarHBondContact O-N 3.31Å
205	T	98.9	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-51.2	178	-65.2	0	0	0	0	112	S126 L195 G197 G201 T202 V203 L208 A209 V217 L219	S126-T205 PolarHBondContact OG-OG1 2.81Å; L195-T205 HydrophobicContact CB-CG2 3.91Å; G197-T205 WeakPolarHBondContact CA-OG1 3.49Å; G201-T205 WeakPolarHBondContact O-CB 3.5Å; G201-T205 PolarHBondContact O-N 3.15Å; G201-T205 PolarHBondContact O-OG1 3.47Å; T202-T205 PolarHBondContact O-N 2.79Å; V203-T205 VanDerWaalsContact C-N 3.26Å; V203-T205 PolarHBondContact O-N 3.17Å; T205-L208 PolarHBondContact O-N 2.81Å; T205-A209 VanDerWaalsContact O-CB 3.24Å; T205-A209 WeakPolarHBondContact O-CB 3.32Å; T205-A209 PolarHBondContact O-N 2.86Å; T205-V217 HydrophobicContact CG2-CG1 3.8Å; T205-L219 HydrophobicContact CG2-CD2 3.81Å
206	V	98.9	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-40.2	177.4	167.2	0	0	0	0	111	T202 S210 L219 N245 K248 V249 I252	T202-V206 WeakPolarHBondContact O-CB 3.22Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.35Å; T202-V206 PolarHBondContact O-N 3.18Å; V206-S210 VanDerWaalsContact O-CB 3.31Å; V206-S210 WeakPolarHBondContact O-CB 3.23Å; V206-S210 PolarHBondContact O-N 3.04Å; V206-S210 PolarHBondContact O-OG 3.47Å; V206-L219 HydrophobicContact CG2-CD1 3.83Å; V206-L219 HydrophobicContact CG2-CD2 3.75Å; V206-L219 HydrophobicContact CG2-CG 4.48Å; V206-N245 HydrophobicContact CG1-CB 4.17Å; V206-K248 HydrophobicContact CG1-CB 3.74Å; V206-V249 HydrophobicContact CG1-CB 4.45Å; V206-I252 HydrophobicContact CG1-CD1 4.29Å; V206-I252 HydrophobicContact CG2-CD1 4.34Å
207	D	98.8	Very high	98.3	Very high	20 Å²	20	19.8 Å²	19.8	11%	0.107	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-48.1	176.7	-177	87	0	0	0	112.3	Y172 V203 P204 S210 R211 K248	Y172-D207 HydrophobicContact CD1-CB 3.53Å; Y172-D207 HydrophobicContact CE1-CB 3.44Å; Y172-D207 VanDerWaalsContact CE1-CB 3.44Å; Y172-D207 HydrophobicContact CG-CB 4.48Å; V203-D207 PolarHBondContact O-N 3.45Å; V203-D207 VanDerWaalsContact O-N 3.15Å; P204-D207 PolarHBondContact O-N 3.32Å; D207-S210 PolarHBondContact O-N 2.67Å; D207-S210 PolarHBondContact O-OG 2.77Å; D207-R211 PolarHBondContact O-NE 2.86Å; D207-R211 IonicContact OD2-CZ 3.55Å; D207-R211 IonicContact OD2-NE 3.95Å; D207-R211 PolarHBondContact OD2-NE 3.27Å; D207-R211 IonicContact OD2-NH2 3.3Å; D207-R211 PolarHBondContact OD2-NH2 2.88Å; D207-K248 HydrophobicContact CB-CD 4.36Å; D207-K248 IonicContact OD1-NZ 3.18Å; D207-K248 PolarHBondContact OD1-NZ 3.19Å
208	L	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-47	179.1	-172.6	73.3	0	0	0	111.3	L124 I175 W179 L195 P204 T205 S210 R211 Y212	L124-L208 HydrophobicContact CD2-CD2 4.1Å; I175-L208 HydrophobicContact CD1-CB 4Å; I175-L208 HydrophobicContact CD1-CD2 3.83Å; I175-L208 HydrophobicContact CG1-CD2 3.96Å; I175-L208 HydrophobicContact CG2-CB 4.26Å; W179-L208 HydrophobicContact CB-CD1 4.2Å; W179-L208 HydrophobicContact CB-CD2 3.89Å; W179-L208 HydrophobicContact CD2-CD2 3.96Å; W179-L208 HydrophobicContact CE3-CD2 3.78Å; W179-L208 HydrophobicContact CG-CD1 4.12Å; W179-L208 HydrophobicContact CG-CD2 4.04Å; L195-L208 HydrophobicContact CD1-CB 4.37Å; L195-L208 HydrophobicContact CD1-CD2 3.95Å; L195-L208 HydrophobicContact CD1-CG 4.26Å; L195-L208 HydrophobicContact CD2-CD2 3.79Å; P204-L208 WeakPolarHBondContact O-CB 3.41Å; P204-L208 PolarHBondContact O-N 3.31Å; T205-L208 PolarHBondContact O-N 2.81Å; L208-S210 PolarHBondContact O-N 2.88Å; L208-R211 PolarHBondContact O-N 3.26Å; L208-Y212 HydrophobicContact CD1-CD2 3.63Å; L208-Y212 HydrophobicContact CD1-CE2 3.81Å; L208-Y212 HydrophobicContact CG-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 2.99Å
209	A	98.8	Very high	98.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-24.8	179.1	0	0	0	0	0	113.5	L195 T205 R211 V217 I252	L195-A209 HydrophobicContact CD1-CB 3.84Å; T205-A209 VanDerWaalsContact O-CB 3.24Å; T205-A209 WeakPolarHBondContact O-CB 3.32Å; T205-A209 PolarHBondContact O-N 2.86Å; A209-R211 PolarHBondContact O-N 3.11Å; A209-V217 HydrophobicContact CB-CG2 3.59Å; A209-I252 HydrophobicContact CB-CD1 3.85Å; A209-I252 HydrophobicContact CB-CG1 3.83Å; A209-I252 HydrophobicContact CB-CG2 4.12Å
210	S	98.6	Very high	98.4	Very high	23 Å²	23	18.1 Å²	18.1	16%	0.161	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.5	175	76.6	0	0	0	0	113.6	V206 D207 L208	V206-S210 VanDerWaalsContact O-CB 3.31Å; V206-S210 WeakPolarHBondContact O-CB 3.23Å; V206-S210 PolarHBondContact O-N 3.04Å; V206-S210 PolarHBondContact O-OG 3.47Å; D207-S210 PolarHBondContact O-N 2.67Å; D207-S210 PolarHBondContact O-OG 2.77Å; L208-S210 PolarHBondContact O-N 2.88Å
211	R	98.1	Very high	98.5	Very high	101 Å²	101	17.7 Å²	17.7	38%	0.381	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-26.4	-177	-65.7	-176.7	-74	129.9	-3.8	113.2	D176 D207 L208 A209	D176-R211 IonicContact OD1-CZ 3.78Å; D176-R211 VanDerWaalsContact OD1-CZ 3.28Å; D176-R211 IonicContact OD1-NH1 3.43Å; D176-R211 PolarHBondContact OD1-NH1 3.14Å; D176-R211 IonicContact OD1-NH2 3.9Å; D176-R211 PolarHBondContact OD1-NH2 3.28Å; D176-R211 IonicContact OD2-NH1 3.68Å; D176-R211 IonicContact OD2-NH2 3.11Å; D207-R211 PolarHBondContact O-NE 2.86Å; D207-R211 IonicContact OD2-CZ 3.55Å; D207-R211 IonicContact OD2-NE 3.95Å; D207-R211 PolarHBondContact OD2-NE 3.27Å; D207-R211 IonicContact OD2-NH2 3.3Å; D207-R211 PolarHBondContact OD2-NH2 2.88Å; L208-R211 PolarHBondContact O-N 3.26Å; A209-R211 PolarHBondContact O-N 3.11Å
212	Y	97.7	Very high	98.5	Very high	97 Å²	97	17.7 Å²	17.7	38%	0.38	8%	0.079	S	C	.	.	S	Bend	trans	-132.7	138.5	-176.9	-59.1	-76.1	0	0	0	111	W179 L208	W179-Y212 HydrophobicContact CZ2-CG 4.28Å; L208-Y212 HydrophobicContact CD1-CD2 3.63Å; L208-Y212 HydrophobicContact CD1-CE2 3.81Å; L208-Y212 HydrophobicContact CG-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 2.99Å
213	E	97.1	Very high	98.5	Very high	118 Å²	118	18.2 Å²	18.2	55%	0.551	8%	0.082	S	C	*	.			trans	-75.4	138.3	165.8	-170.4	165	-158.3	0	0	109.6	P190	P190-E213 WeakPolarHBondContact CB-O 3.22Å
214	C	97.9	Very high	98.4	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.047	8%	0.083	C	C	.	.			trans	-137.2	176.1	176.4	62.9	0	0	0	0	110.1	W179 P190 I193 L195 A216 S254	W179-C214 HydrophobicContact CH2-CB 4.28Å; W179-C214 HydrophobicContact CZ3-CB 4.46Å; P190-C214 WeakPolarHBondContact O-CA 3.25Å; I193-C214 WeakPolarHBondContact O-CB 3.47Å; L195-C214 HydrophobicContact CD1-CB 4.46Å; L195-C214 HydrophobicContact CG-CB 4.29Å; C214-A216 VanDerWaalsContact C-N 3.29Å; C214-A216 PolarHBondContact O-N 2.86Å; C214-A216 PolarHBondContact SG-O 3.43Å; C214-S254 PolarHBondContact N-OG 2.53Å; C214-S254 WeakPolarHBondContact O-CB 3.24Å; C214-S254 PolarHBondContact O-OG 2.77Å; C214-S254 PolarHBondContact SG-OG 3.34Å
215	A	98.1	Very high	98.3	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.017	8%	0.083	C	C	.	.	S	Bend	trans	-56.1	-45.4	178.6	0	0	0	0	0	112.1	F121 P190 E191 I193 I194	F121-A215 HydrophobicContact CD1-CB 4.04Å; F121-A215 HydrophobicContact CE1-CB 3.9Å; P190-A215 PolarHBondContact O-N 2.97Å; P190-A215 VanDerWaalsContact O-N 3.15Å; E191-A215 WeakPolarHBondContact O-CB 3.4Å; I193-A215 WeakPolarHBondContact O-CB 3.38Å; I193-A215 PolarHBondContact O-N 3.17Å; I194-A215 HydrophobicContact CG1-CB 4.06Å
216	A	98.7	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	167.4	178.5	0	0	0	0	0	112	I194 L195 C214 P255 F309 L314	I194-A216 WeakPolarHBondContact CA-O 3.01Å; I194-A216 HydrophobicContact CG1-CB 4.37Å; I194-A216 HydrophobicContact CG2-CB 4.3Å; L195-A216 PolarHBondContact N-O 3.02Å; C214-A216 VanDerWaalsContact C-N 3.29Å; C214-A216 PolarHBondContact O-N 2.86Å; C214-A216 PolarHBondContact SG-O 3.43Å; A216-P255 WeakPolarHBondContact CA-O 3.32Å; A216-F309 HydrophobicContact CB-CE1 3.72Å; A216-F309 HydrophobicContact CB-CZ 3.59Å; A216-L314 HydrophobicContact CB-CD1 3.4Å; A216-L314 VanDerWaalsContact CB-CD1 3.4Å; A216-L314 HydrophobicContact CB-CD2 3.84Å; A216-L314 HydrophobicContact CB-CG 4.25Å
217	V	98.9	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	170.7	-174.3	0	0	0	0	109.4	L195 T205 A209 L219 I252 P255 V256 L257	L195-V217 CarbonylContact O-C 3.59Å; L195-V217 WeakPolarHBondContact O-CA 3.48Å; T205-V217 HydrophobicContact CG2-CG1 3.8Å; A209-V217 HydrophobicContact CB-CG2 3.59Å; V217-L219 HydrophobicContact CG1-CD2 3.65Å; V217-L219 HydrophobicContact CG1-CG 3.99Å; V217-I252 HydrophobicContact CG2-CG2 3.87Å; V217-P255 PolarHBondContact N-O 2.81Å; V217-V256 HydrophobicContact CB-CG1 4.32Å; V217-V256 HydrophobicContact CB-CG2 4.24Å; V217-V256 HydrophobicContact CG1-CG1 4.47Å; V217-V256 CarbonylContact O-C 3.53Å; V217-V256 WeakPolarHBondContact O-CA 3.21Å; V217-L257 PolarHBondContact O-N 3.09Å
218	I	98.9	Very high	97.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120	171.9	-57.5	167.3	0	0	0	107.8	I194 L195 Y196 G197 L257 I259 L306 F309 I310	I194-I218 HydrophobicContact CG2-CD1 3.72Å; I194-I218 HydrophobicContact CG2-CG1 4.08Å; L195-I218 PolarHBondContact O-N 3.12Å; Y196-I218 WeakPolarHBondContact CA-O 3.3Å; Y196-I218 HydrophobicContact CD2-CB 3.59Å; Y196-I218 HydrophobicContact CD2-CD1 3.77Å; Y196-I218 HydrophobicContact CD2-CG1 4.27Å; Y196-I218 HydrophobicContact CD2-CG2 3.59Å; Y196-I218 HydrophobicContact CE2-CB 3.99Å; Y196-I218 HydrophobicContact CE2-CD1 4.21Å; Y196-I218 HydrophobicContact CE2-CG2 3.41Å; Y196-I218 VanDerWaalsContact CE2-CG2 3.41Å; Y196-I218 HydrophobicContact CG-CB 4.13Å; Y196-I218 HydrophobicContact CG-CG2 4.32Å; G197-I218 PolarHBondContact N-O 3.24Å; I218-L257 CarbonylContact C-O 3.58Å; I218-L257 WeakPolarHBondContact CA-O 3.5Å; I218-L257 HydrophobicContact CG1-CB 4.29Å; I218-L257 HydrophobicContact CG1-CD2 4.43Å; I218-L257 HydrophobicContact CG2-CD2 4.38Å; I218-I259 HydrophobicContact CG2-CD1 3.98Å; I218-I259 HydrophobicContact CG2-CG1 4.47Å; I218-L306 HydrophobicContact CD1-CD2 3.79Å; I218-L306 HydrophobicContact CG2-CD2 4.27Å; I218-F309 HydrophobicContact CD1-CD1 4.13Å; I218-F309 HydrophobicContact CD1-CE1 4.23Å; I218-F309 HydrophobicContact CG1-CD1 4.06Å; I218-F309 HydrophobicContact CG1-CE1 3.77Å; I218-I310 HydrophobicContact CD1-CD1 4.34Å
219	L	98.9	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.5	177.7	-58.1	-175.6	0	0	0	108.9	T202 T205 V206 V217 P222 V256 L257 I258 I259	T202-L219 HydrophobicContact CG2-CB 4.35Å; T202-L219 HydrophobicContact CG2-CD2 4.23Å; T205-L219 HydrophobicContact CG2-CD2 3.81Å; V206-L219 HydrophobicContact CG2-CD1 3.83Å; V206-L219 HydrophobicContact CG2-CD2 3.75Å; V206-L219 HydrophobicContact CG2-CG 4.48Å; V217-L219 HydrophobicContact CG1-CD2 3.65Å; V217-L219 HydrophobicContact CG1-CG 3.99Å; L219-P222 HydrophobicContact CB-CB 4.04Å; L219-P222 HydrophobicContact CB-CG 4.01Å; L219-V256 HydrophobicContact CD1-CG1 4.13Å; L219-V256 HydrophobicContact CG-CG1 4.23Å; L219-L257 PolarHBondContact N-O 3.25Å; L219-I258 HydrophobicContact CB-CG1 4.44Å; L219-I258 HydrophobicContact CD1-CD1 4.48Å; L219-I258 WeakPolarHBondContact O-CA 3.23Å; L219-I259 PolarHBondContact O-N 3.26Å
220	H	98.8	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.9	-179.1	-175.9	-176.1	0	0	0	110.2	Y196 G197 Q198 S199 I259 I296 E297 Y302	Y196-H220 HydrophobicContact CE1-CB 3.74Å; Y196-H220 AromaticContact CZ-ND1 3.99Å; Y196-H220 WeakPolarHBondContact OH-CB 3.25Å; Y196-H220 PolarHBondContact OH-ND1 3.25Å; G197-H220 PolarHBondContact O-N 2.9Å; Q198-H220 CarbonylContact C-O 3.48Å; Q198-H220 WeakPolarHBondContact CA-O 3.38Å; Q198-H220 HydrophobicContact CB-CB 4.41Å; Q198-H220 HydrophobicContact CG-CB 4.49Å; S199-H220 PolarHBondContact N-O 2.62Å; H220-I259 WeakPolarHBondContact CA-O 3.42Å; H220-I296 WeakPolarHBondContact NE2-CB 3.38Å; H220-I296 VanDerWaalsContact NE2-CD1 3.31Å; H220-I296 WeakPolarHBondContact NE2-CD1 3.35Å; H220-I296 VanDerWaalsContact NE2-CG2 3.3Å; H220-I296 WeakPolarHBondContact NE2-CG2 3.35Å; H220-E297 VanDerWaalsContact CE1-CD 3.44Å; H220-E297 IonicContact CE1-OE1 3.91Å; H220-E297 PolarHBondContact CE1-OE1 3.33Å; H220-E297 IonicContact CE1-OE2 2.73Å; H220-E297 IonicContact ND1-OE1 3.18Å; H220-Y302 AromaticContact CE1-CE2 3.82Å; H220-Y302 AromaticContact ND1-CE2 3.97Å
221	S	98.5	Very high	96	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	47.4	53.8	-173.8	-52.7	0	0	0	0	112.3	S199 I259 I267 I296	S199-S221 WeakPolarHBondContact CA-O 3.47Å; S221-I259 PolarHBondContact N-O 3.16Å; S221-I267 WeakPolarHBondContact O-CD1 3.13Å; S221-I296 VanDerWaalsContact OG-CD1 3.25Å; S221-I296 WeakPolarHBondContact OG-CD1 3.5Å
222	P	98.6	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.			trans	-73.1	149.4	-173	31.4	-37.8	0	0	0	113.4	T202 L219 I258 H260 I267 H271 L275	T202-P222 HydrophobicContact CG2-CB 3.74Å; L219-P222 HydrophobicContact CB-CB 4.04Å; L219-P222 HydrophobicContact CB-CG 4.01Å; P222-I258 HydrophobicContact CG-CG2 3.93Å; P222-H260 WeakPolarHBondContact CD-ND1 3.15Å; P222-I267 WeakPolarHBondContact O-CG2 3.37Å; P222-H271 VanDerWaalsContact O-CB 3.24Å; P222-H271 WeakPolarHBondContact O-CB 3.34Å; P222-L275 HydrophobicContact CB-CD1 3.48Å; P222-L275 VanDerWaalsContact CB-CD1 3.48Å; P222-L275 HydrophobicContact CG-CD1 3.68Å
223	L	97.5	Very high	95.1	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.058	19%	0.19	C	C	.	.			trans	-93.4	144.3	165.8	64.1	175.2	0	0	0	112.7	T202 V203 V229 F243 N245 I267 H271	T202-L223 VanDerWaalsContact OG1-CD2 3.3Å; T202-L223 WeakPolarHBondContact OG1-CD2 3.16Å; V203-L223 HydrophobicContact CG2-CD1 4.38Å; V203-L223 HydrophobicContact CG2-CD2 3.63Å; V203-L223 HydrophobicContact CG2-CG 4.27Å; L223-V229 HydrophobicContact CB-CG2 3.67Å; L223-V229 HydrophobicContact CD1-CG2 4.04Å; L223-F243 HydrophobicContact CD1-CB 4.38Å; L223-F243 HydrophobicContact CD1-CD2 4.21Å; L223-N245 WeakPolarHBondContact O-CB 3.47Å; L223-N245 PolarHBondContact O-ND2 2.74Å; L223-I267 HydrophobicContact CB-CD1 4.17Å; L223-I267 HydrophobicContact CB-CG2 4.16Å; L223-H271 WeakPolarHBondContact CA-ND1 3.17Å
224	T	97.4	Very high	94.7	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	17%	0.169	C	C	.	.	S	Bend	trans	-74.6	-45	170.7	55	0	0	0	0	111.9	R228 N245 I246 H271 A274 L275	T224-R228 WeakPolarHBondContact OG1-CB 3.45Å; T224-R228 WeakPolarHBondContact OG1-CD 3.21Å; T224-N245 PolarHBondContact O-N 3.18Å; T224-I246 HydrophobicContact CG2-CD1 3.7Å; T224-I246 PolarHBondContact O-N 2.89Å; T224-H271 HydrophobicContact CG2-CB 3.9Å; T224-H271 WeakPolarHBondContact CG2-O 3.25Å; T224-H271 PolarHBondContact N-ND1 3.26Å; T224-H271 VanDerWaalsContact N-ND1 3.14Å; T224-H271 PolarHBondContact OG1-CE1 2.75Å; T224-H271 VanDerWaalsContact OG1-CE1 3.26Å; T224-H271 PolarHBondContact OG1-ND1 3.1Å; T224-A274 HydrophobicContact CG2-CB 3.95Å; T224-L275 HydrophobicContact CG2-CD2 4.47Å; T224-L275 HydrophobicContact CG2-CG 4.05Å
225	S	96.3	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.			trans	-164.2	164.2	167.5	72.3	0	0	0	0	112.1	R228 V229 D241 F243	S225-R228 PolarHBondContact O-N 2.89Å; S225-R228 PolarHBondContact OG-N 3.08Å; S225-R228 PolarHBondContact OG-NH1 2.97Å; S225-R228 VanDerWaalsContact OG-NH1 3.08Å; S225-V229 WeakPolarHBondContact O-CG2 3.22Å; S225-V229 PolarHBondContact O-N 3.4Å; S225-V229 VanDerWaalsContact O-N 3.12Å; S225-D241 WeakPolarHBondContact CB-OD1 3.23Å; S225-D241 WeakPolarHBondContact CB-OD2 3.49Å; S225-D241 VanDerWaalsContact OG-CG 3.31Å; S225-D241 PolarHBondContact OG-OD1 3.24Å; S225-D241 PolarHBondContact OG-OD2 3.36Å; S225-F243 WeakPolarHBondContact CA-O 3.22Å
226	G	91.3	Very high	93.8	Very high	16 Å²	16	44.8 Å²	44.8	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-37.5	178.7	0	0	0	0	0	113.2	R228 V229 A230 V242	G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 2.76Å; G226-V229 PolarHBondContact O-N 3.12Å; G226-A230 PolarHBondContact O-N 2.82Å; G226-V242 PolarHBondContact N-O 3.33Å
227	M	90.7	Very high	93.5	Very high	38 Å²	38	46.8 Å²	46.8	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-37.1	173.6	-76.3	-71.4	-59.7	0	0	112.2	V229 A230 F231 T234 F240 D241	M227-V229 VanDerWaalsContact C-N 3.33Å; M227-A230 PolarHBondContact O-N 3.28Å; M227-F231 HydrophobicContact CE-CD2 3.57Å; M227-F231 HydrophobicContact CE-CE2 3.99Å; M227-F231 CarbonylContact O-C 3.59Å; M227-F231 WeakPolarHBondContact O-CA 3.47Å; M227-F231 WeakPolarHBondContact O-CB 3.21Å; M227-F231 PolarHBondContact O-N 2.97Å; M227-F231 HydrophobicContact SD-CD2 4Å; M227-F231 HydrophobicContact SD-CE2 4.11Å; M227-T234 HydrophobicContact CB-CG2 4.21Å; M227-F240 HydrophobicContact CE-CE2 3.97Å; M227-F240 HydrophobicContact SD-CD2 4.26Å; M227-F240 HydrophobicContact SD-CE2 4.02Å; M227-D241 HydrophobicContact CB-CB 4.38Å; M227-D241 WeakPolarHBondContact CB-OD1 3.49Å; M227-D241 HydrophobicContact CG-CB 3.87Å; M227-D241 VanDerWaalsContact CG-OD1 3.23Å; M227-D241 WeakPolarHBondContact CG-OD1 3.28Å; M227-D241 PolarHBondContact N-OD1 3.29Å
228	R	94	Very high	92.9	Very high	26 Å²	26	52 Å²	52	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-30.4	178.5	-75.1	173.7	-179.7	94	-9	112.4	T224 S225 G226 F231 P232 T234 K235 K236 T237 D241	T224-R228 WeakPolarHBondContact OG1-CB 3.45Å; T224-R228 WeakPolarHBondContact OG1-CD 3.21Å; S225-R228 PolarHBondContact O-N 2.89Å; S225-R228 PolarHBondContact OG-N 3.08Å; S225-R228 PolarHBondContact OG-NH1 2.97Å; S225-R228 VanDerWaalsContact OG-NH1 3.08Å; G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 2.76Å; R228-F231 CarbonylContact O-C 3.54Å; R228-P232 VanDerWaalsContact O-CA 3.3Å; R228-P232 WeakPolarHBondContact O-CA 3.47Å; R228-T234 HydrophobicContact CG-CG2 4.06Å; R228-T234 WeakPolarHBondContact CG-O 3.31Å; R228-T234 PolarHBondContact NE-O 3.04Å; R228-K235 PolarHBondContact NH2-O 3.16Å; R228-K236 VanDerWaalsContact NH2-C 3.33Å; R228-T237 PolarHBondContact NH1-OG1 3.49Å; R228-T237 VanDerWaalsContact NH1-OG1 3.09Å; R228-T237 PolarHBondContact NH2-OG1 3.34Å; R228-D241 IonicContact NH1-OD2 3.39Å
229	V	90.7	Very high	92.2	Very high	52 Å²	52	58.4 Å²	58.4	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-48.4	170.2	175.8	0	0	0	0	110.6	L223 S225 G226 M227 I267	L223-V229 HydrophobicContact CB-CG2 3.67Å; L223-V229 HydrophobicContact CD1-CG2 4.04Å; S225-V229 WeakPolarHBondContact O-CG2 3.22Å; S225-V229 PolarHBondContact O-N 3.4Å; S225-V229 VanDerWaalsContact O-N 3.12Å; G226-V229 PolarHBondContact O-N 3.12Å; M227-V229 VanDerWaalsContact C-N 3.33Å; V229-I267 HydrophobicContact CG2-CG1 4.5Å; V229-I267 HydrophobicContact CG2-CG2 4.49Å
230	A	87.7	Confident	91.5	Very high	64 Å²	64	62.7 Å²	62.7	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-73.9	-29.3	-177.5	0	0	0	0	0	113.7	G226 M227	G226-A230 PolarHBondContact O-N 2.82Å; M227-A230 PolarHBondContact O-N 3.28Å
231	F	89.9	Confident	90.9	Very high	122 Å²	122	63.2 Å²	63.2	54%	0.535	33%	0.334	S	S	.	.			trans	-140.6	85.1	-175.1	-53.2	-75.8	0	0	0	109.5	M227 R228 D233 T234	M227-F231 HydrophobicContact CE-CD2 3.57Å; M227-F231 HydrophobicContact CE-CE2 3.99Å; M227-F231 CarbonylContact O-C 3.59Å; M227-F231 WeakPolarHBondContact O-CA 3.47Å; M227-F231 WeakPolarHBondContact O-CB 3.21Å; M227-F231 PolarHBondContact O-N 2.97Å; M227-F231 HydrophobicContact SD-CD2 4Å; M227-F231 HydrophobicContact SD-CE2 4.11Å; R228-F231 CarbonylContact O-C 3.54Å; F231-D233 PolarHBondContact O-N 2.85Å; F231-D233 VanDerWaalsContact O-N 3.08Å; F231-T234 WeakPolarHBondContact CB-OG1 3.41Å; F231-T234 WeakPolarHBondContact O-CB 3.02Å; F231-T234 PolarHBondContact O-N 3.13Å; F231-T234 PolarHBondContact O-OG1 3.1Å
232	P	87.9	Confident	90.5	Very high	98 Å²	98	63.9 Å²	63.9	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.8	-172.6	-30.4	37.1	0	0	0	115.2	R228 T234	R228-P232 VanDerWaalsContact O-CA 3.3Å; R228-P232 WeakPolarHBondContact O-CA 3.47Å; P232-T234 PolarHBondContact O-N 3.44Å; P232-T234 VanDerWaalsContact O-N 3.08Å
233	D	88.5	Confident	90.2	Very high	151 Å²	151	64 Å²	64	81%	0.807	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	4	178.1	-65.5	-47.5	0	0	0	114.4	F231 K235	F231-D233 PolarHBondContact O-N 2.85Å; F231-D233 VanDerWaalsContact O-N 3.08Å; D233-K235 WeakPolarHBondContact O-CG 3.36Å; D233-K235 PolarHBondContact O-N 2.93Å
234	T	88.9	Confident	90.1	Very high	18 Å²	18	64.7 Å²	64.7	11%	0.11	34%	0.343	C	S	.	.			trans	-69.3	101.3	-179.2	-63.7	0	0	0	0	111.9	M227 R228 F231 P232 K236 Y238	M227-T234 HydrophobicContact CB-CG2 4.21Å; R228-T234 HydrophobicContact CG-CG2 4.06Å; R228-T234 WeakPolarHBondContact CG-O 3.31Å; R228-T234 PolarHBondContact NE-O 3.04Å; F231-T234 WeakPolarHBondContact CB-OG1 3.41Å; F231-T234 WeakPolarHBondContact O-CB 3.02Å; F231-T234 PolarHBondContact O-N 3.13Å; F231-T234 PolarHBondContact O-OG1 3.1Å; P232-T234 PolarHBondContact O-N 3.44Å; P232-T234 VanDerWaalsContact O-N 3.08Å; T234-K236 VanDerWaalsContact CG2-O 3.22Å; T234-K236 WeakPolarHBondContact CG2-O 3.47Å; T234-Y238 HydrophobicContact CG2-CD2 4.3Å; T234-Y238 HydrophobicContact CG2-CE2 4.02Å
235	K	88.6	Confident	90.1	Very high	189 Å²	189	64.5 Å²	64.5	82%	0.822	34%	0.342	S	S	*	.			trans	-82.8	-25.9	-178.2	-57	-170.3	-179.4	-176.6	0	114.7	R228 D233	R228-K235 PolarHBondContact NH2-O 3.16Å; D233-K235 WeakPolarHBondContact O-CG 3.36Å; D233-K235 PolarHBondContact O-N 2.93Å
236	K	90.1	Very high	90.1	Very high	149 Å²	149	64.9 Å²	64.9	65%	0.648	34%	0.344	S	S	*	.	S	Bend	trans	-118.1	149.5	-174.9	-64.5	-177.7	-179.2	178.7	0	110.8	R228 T234 Y238	R228-K236 VanDerWaalsContact NH2-C 3.33Å; T234-K236 VanDerWaalsContact CG2-O 3.22Å; T234-K236 WeakPolarHBondContact CG2-O 3.47Å; K236-Y238 WeakPolarHBondContact O-CD2 3.17Å
237	T	91.3	Very high	90.4	Very high	43 Å²	43	68.9 Å²	68.9	26%	0.264	36%	0.358	S	S	.	.			trans	-86.1	119.8	172.5	-53.7	0	0	0	0	109.1	R228 D241 P244 E247	R228-T237 PolarHBondContact NH1-OG1 3.49Å; R228-T237 VanDerWaalsContact NH1-OG1 3.09Å; R228-T237 PolarHBondContact NH2-OG1 3.34Å; T237-D241 HydrophobicContact CG2-CB 4.19Å; T237-P244 HydrophobicContact CG2-CB 3.73Å; T237-E247 WeakPolarHBondContact CB-OE1 3.42Å; T237-E247 HydrophobicContact CG2-CG 3.81Å; T237-E247 PolarHBondContact OG1-OE1 2.82Å
238	Y	85.7	Confident	90.8	Very high	109 Å²	109	68.5 Å²	68.5	43%	0.427	36%	0.355	S	S	.	.			trans	-94.8	158.8	-179.4	-62.8	-77.9	0	0	0	111.3	T234 K236 F240 D241	T234-Y238 HydrophobicContact CG2-CD2 4.3Å; T234-Y238 HydrophobicContact CG2-CE2 4.02Å; K236-Y238 WeakPolarHBondContact O-CD2 3.17Å; Y238-F240 HydrophobicContact CD1-CE1 4.43Å; Y238-F240 HydrophobicContact CD1-CZ 4.22Å; Y238-F240 HydrophobicContact CD2-CE2 4.41Å; Y238-F240 HydrophobicContact CD2-CZ 4.21Å; Y238-F240 HydrophobicContact CG-CE1 4.2Å; Y238-F240 HydrophobicContact CG-CE2 4.24Å; Y238-F240 AromaticContact CG-CZ 3.75Å; Y238-F240 HydrophobicContact CG-CZ 3.75Å; Y238-F240 PolarHBondContact O-N 3.44Å; Y238-F240 VanDerWaalsContact O-N 3.12Å; Y238-D241 WeakPolarHBondContact O-CB 3.49Å; Y238-D241 PolarHBondContact O-N 2.86Å
239	C	84.3	Confident	91	Very high	135 Å²	135	67.2 Å²	67.2	91%	0.912	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	-179	61.9	0	0	0	0	114.6
240	F	84.5	Confident	91.3	Very high	90 Å²	90	67.9 Å²	67.9	40%	0.395	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	3.9	175.3	53.9	-99.5	0	0	0	112.8	M227 Y238	M227-F240 HydrophobicContact CE-CE2 3.97Å; M227-F240 HydrophobicContact SD-CD2 4.26Å; M227-F240 HydrophobicContact SD-CE2 4.02Å; Y238-F240 HydrophobicContact CD1-CE1 4.43Å; Y238-F240 HydrophobicContact CD1-CZ 4.22Å; Y238-F240 HydrophobicContact CD2-CE2 4.41Å; Y238-F240 HydrophobicContact CD2-CZ 4.21Å; Y238-F240 HydrophobicContact CG-CE1 4.2Å; Y238-F240 HydrophobicContact CG-CE2 4.24Å; Y238-F240 AromaticContact CG-CZ 3.75Å; Y238-F240 HydrophobicContact CG-CZ 3.75Å; Y238-F240 PolarHBondContact O-N 3.44Å; Y238-F240 VanDerWaalsContact O-N 3.12Å
241	D	87	Confident	91.8	Very high	12 Å²	12	70.9 Å²	70.9	6%	0.064	36%	0.358	C	S	.	.			trans	-68.3	132.7	172.6	-162.9	-3	0	0	0	109.3	S225 M227 R228 T237 Y238	S225-D241 WeakPolarHBondContact CB-OD1 3.23Å; S225-D241 WeakPolarHBondContact CB-OD2 3.49Å; S225-D241 VanDerWaalsContact OG-CG 3.31Å; S225-D241 PolarHBondContact OG-OD1 3.24Å; S225-D241 PolarHBondContact OG-OD2 3.36Å; M227-D241 HydrophobicContact CB-CB 4.38Å; M227-D241 WeakPolarHBondContact CB-OD1 3.49Å; M227-D241 HydrophobicContact CG-CB 3.87Å; M227-D241 VanDerWaalsContact CG-OD1 3.23Å; M227-D241 WeakPolarHBondContact CG-OD1 3.28Å; M227-D241 PolarHBondContact N-OD1 3.29Å; R228-D241 IonicContact NH1-OD2 3.39Å; T237-D241 HydrophobicContact CG2-CB 4.19Å; Y238-D241 WeakPolarHBondContact O-CB 3.49Å; Y238-D241 PolarHBondContact O-N 2.86Å
242	V	89.8	Confident	92.2	Very high	14 Å²	14	65 Å²	65	9%	0.085	33%	0.333	C	S	.	.	S	Bend	trans	-97.3	146.5	178.7	-63.3	0	0	0	0	108.6	G226	G226-V242 PolarHBondContact N-O 3.33Å
243	F	93.1	Very high	92.7	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.018	32%	0.323	C	S	.	.			trans	59.1	46.6	175	-40.8	-43.9	0	0	0	115.3	A27 F28 E168 L171 I200 V203 L223 S225 N245	A27-F243 HydrophobicContact CB-CE2 3.8Å; A27-F243 HydrophobicContact CB-CZ 4.23Å; F28-F243 HydrophobicContact CE1-CZ 4.35Å; F28-F243 HydrophobicContact CE2-CE1 4.23Å; F28-F243 AromaticContact CE2-CZ 3.75Å; F28-F243 HydrophobicContact CE2-CZ 3.75Å; F28-F243 AromaticContact CZ-CE1 3.82Å; F28-F243 HydrophobicContact CZ-CE1 3.82Å; F28-F243 AromaticContact CZ-CZ 3.54Å; F28-F243 HydrophobicContact CZ-CZ 3.54Å; E168-F243 HydrophobicContact CB-CD1 4.04Å; E168-F243 HydrophobicContact CB-CE1 3.6Å; E168-F243 HydrophobicContact CG-CD1 3.67Å; E168-F243 HydrophobicContact CG-CE1 3.76Å; E168-F243 WeakPolarHBondContact OE1-CA 3.25Å; E168-F243 PolarHBondContact OE1-N 3.05Å; L171-F243 HydrophobicContact CD2-CE1 4.37Å; I200-F243 HydrophobicContact CD1-CE2 4.22Å; I200-F243 HydrophobicContact CD1-CZ 4.28Å; V203-F243 HydrophobicContact CB-CB 4.28Å; V203-F243 HydrophobicContact CB-CD1 4.42Å; V203-F243 HydrophobicContact CB-CG 4.46Å; V203-F243 HydrophobicContact CG1-CB 3.69Å; V203-F243 HydrophobicContact CG1-CD1 3.53Å; V203-F243 HydrophobicContact CG1-CE1 4.41Å; V203-F243 HydrophobicContact CG1-CG 3.86Å; V203-F243 HydrophobicContact CG2-CB 3.58Å; V203-F243 HydrophobicContact CG2-CD1 4.27Å; V203-F243 HydrophobicContact CG2-CD2 4.39Å; V203-F243 HydrophobicContact CG2-CG 3.85Å; L223-F243 HydrophobicContact CD1-CB 4.38Å; L223-F243 HydrophobicContact CD1-CD2 4.21Å; S225-F243 WeakPolarHBondContact CA-O 3.22Å; F243-N245 PolarHBondContact O-N 3.19Å
244	P	94.5	Very high	93.2	Very high	24 Å²	24	56.4 Å²	56.4	16%	0.156	28%	0.284	C	S	.	.			trans	-74.3	67.8	-174.8	34.2	-38.4	0	0	0	112.6	T237 I246 E247	T237-P244 HydrophobicContact CG2-CB 3.73Å; P244-I246 PolarHBondContact O-N 3.13Å; P244-E247 HydrophobicContact CB-CB 4.48Å; P244-E247 HydrophobicContact CB-CG 4.02Å; P244-E247 PolarHBondContact O-N 3.36Å; P244-E247 VanDerWaalsContact O-N 3.1Å
245	N	97.6	Very high	93.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.1	-34.8	176.7	-75.9	-17.8	0	0	0	111.8	V203 V206 L223 T224 F243 E247 K248 V249 L275	V203-N245 WeakPolarHBondContact CA-OD1 3.35Å; V206-N245 HydrophobicContact CG1-CB 4.17Å; L223-N245 WeakPolarHBondContact O-CB 3.47Å; L223-N245 PolarHBondContact O-ND2 2.74Å; T224-N245 PolarHBondContact O-N 3.18Å; F243-N245 PolarHBondContact O-N 3.19Å; N245-E247 PolarHBondContact O-N 3Å; N245-E247 VanDerWaalsContact O-N 3.12Å; N245-K248 PolarHBondContact O-N 3.37Å; N245-V249 PolarHBondContact O-N 3.4Å; N245-L275 HydrophobicContact CB-CD2 4.31Å
246	I	97.1	Very high	94.1	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.5	179.2	-150.1	64.4	0	0	0	113.8	T224 P244 A274 L275	T224-I246 HydrophobicContact CG2-CD1 3.7Å; T224-I246 PolarHBondContact O-N 2.89Å; P244-I246 PolarHBondContact O-N 3.13Å; I246-A274 HydrophobicContact CD1-CB 4.46Å; I246-L275 HydrophobicContact CD1-CD2 3.63Å; I246-L275 HydrophobicContact CD1-CG 4.29Å
247	E	96.7	Very high	94.5	Very high	100 Å²	100	40.1 Å²	40.1	47%	0.467	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-86.8	-11.4	179	-58.3	-59.1	149.3	0	0	113	T237 P244 N245	T237-E247 WeakPolarHBondContact CB-OE1 3.42Å; T237-E247 HydrophobicContact CG2-CG 3.81Å; T237-E247 PolarHBondContact OG1-OE1 2.82Å; P244-E247 HydrophobicContact CB-CB 4.48Å; P244-E247 HydrophobicContact CB-CG 4.02Å; P244-E247 PolarHBondContact O-N 3.36Å; P244-E247 VanDerWaalsContact O-N 3.1Å; N245-E247 PolarHBondContact O-N 3Å; N245-E247 VanDerWaalsContact O-N 3.12Å
248	K	98.1	Very high	94.9	Very high	30 Å²	30	38.1 Å²	38.1	13%	0.13	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-31.5	-172.7	-60.7	-177.2	-170.8	-178.7	0	112.6	Y172 V206 D207 N245 S250 K251	Y172-K248 PolarHBondContact OH-NZ 2.67Å; V206-K248 HydrophobicContact CG1-CB 3.74Å; D207-K248 HydrophobicContact CB-CD 4.36Å; D207-K248 IonicContact OD1-NZ 3.18Å; D207-K248 PolarHBondContact OD1-NZ 3.19Å; N245-K248 PolarHBondContact O-N 3.37Å; K248-S250 PolarHBondContact O-N 3.03Å; K248-K251 VanDerWaalsContact O-CB 3.32Å; K248-K251 WeakPolarHBondContact O-CB 3.45Å; K248-K251 PolarHBondContact O-N 3.1Å
249	V	98.3	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59.4	-33	-170.1	77.7	0	0	0	0	113.4	V206 N245 K251 I252 L275 R278 C279	V206-V249 HydrophobicContact CG1-CB 4.45Å; N245-V249 PolarHBondContact O-N 3.4Å; V249-K251 PolarHBondContact O-N 3.34Å; V249-K251 VanDerWaalsContact O-N 3.12Å; V249-I252 HydrophobicContact CG2-CD1 4.01Å; V249-I252 WeakPolarHBondContact O-CB 3.33Å; V249-I252 WeakPolarHBondContact O-CG1 3.42Å; V249-I252 PolarHBondContact O-N 2.89Å; V249-I252 VanDerWaalsContact O-N 3.12Å; V249-L275 HydrophobicContact CB-CD2 3.9Å; V249-L275 HydrophobicContact CG1-CD2 3.78Å; V249-L275 HydrophobicContact CG2-CD2 4.09Å; V249-R278 HydrophobicContact CG1-CB 3.64Å; V249-C279 WeakPolarHBondContact CG2-SG 3.34Å
250	S	98.1	Very high	96.2	Very high	66 Å²	66	26.5 Å²	26.5	46%	0.462	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-67.9	-10.1	178.3	58.5	0	0	0	0	114.2	K248 R278 P280	K248-S250 PolarHBondContact O-N 3.03Å; S250-R278 WeakPolarHBondContact CA-O 3.24Å; S250-P280 WeakPolarHBondContact O-CG 3.15Å
251	K	98.6	Very high	96.9	Very high	126 Å²	126	22.2 Å²	22.2	55%	0.548	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-92.7	-8.9	177.1	-55.8	175.2	-174.3	172.6	0	112.7	K248 V249 T253	K248-K251 VanDerWaalsContact O-CB 3.32Å; K248-K251 WeakPolarHBondContact O-CB 3.45Å; K248-K251 PolarHBondContact O-N 3.1Å; V249-K251 PolarHBondContact O-N 3.34Å; V249-K251 VanDerWaalsContact O-N 3.12Å; K251-T253 PolarHBondContact O-N 3.17Å
252	I	98.6	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.			trans	-72.2	117.8	179.5	-58.9	176.4	0	0	0	108.6	V206 A209 V217 V249 V256	V206-I252 HydrophobicContact CG1-CD1 4.29Å; V206-I252 HydrophobicContact CG2-CD1 4.34Å; A209-I252 HydrophobicContact CB-CD1 3.85Å; A209-I252 HydrophobicContact CB-CG1 3.83Å; A209-I252 HydrophobicContact CB-CG2 4.12Å; V217-I252 HydrophobicContact CG2-CG2 3.87Å; V249-I252 HydrophobicContact CG2-CD1 4.01Å; V249-I252 WeakPolarHBondContact O-CB 3.33Å; V249-I252 WeakPolarHBondContact O-CG1 3.42Å; V249-I252 PolarHBondContact O-N 2.89Å; V249-I252 VanDerWaalsContact O-N 3.12Å; I252-V256 HydrophobicContact CB-CG2 4.28Å; I252-V256 HydrophobicContact CG2-CG2 3.59Å
253	T	97.6	Very high	97.8	Very high	68 Å²	68	28.2 Å²	28.2	42%	0.417	15%	0.147	S	C	.	.			trans	-96.9	-9.3	179.9	56.5	0	0	0	0	113.3	K251 K281	K251-T253 PolarHBondContact O-N 3.17Å; T253-K281 WeakPolarHBondContact O-CD 3.42Å; T253-K281 WeakPolarHBondContact O-CE 3.19Å; T253-K281 PolarHBondContact O-NZ 3.37Å
254	S	98.3	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-80.9	157.8	174.2	-64.3	0	0	0	0	111.9	C214 V256	C214-S254 PolarHBondContact N-OG 2.53Å; C214-S254 WeakPolarHBondContact O-CB 3.24Å; C214-S254 PolarHBondContact O-OG 2.77Å; C214-S254 PolarHBondContact SG-OG 3.34Å; S254-V256 WeakPolarHBondContact O-CG2 3.44Å; S254-V256 PolarHBondContact O-N 3.44Å
255	P	98.4	Very high	97.9	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.091	18%	0.18	C	C	.	.			trans	-55.7	132.1	169.5	-23.5	34.2	0	0	0	111.5	A216 V217 K281 V283 F309 L314	A216-P255 WeakPolarHBondContact CA-O 3.32Å; V217-P255 PolarHBondContact N-O 2.81Å; P255-K281 WeakPolarHBondContact CA-O 3.44Å; P255-V283 HydrophobicContact CB-CG1 4.06Å; P255-F309 HydrophobicContact CB-CE2 4.25Å; P255-F309 HydrophobicContact CB-CZ 4.17Å; P255-L314 HydrophobicContact CB-CD2 4.1Å; P255-L314 HydrophobicContact CG-CD2 4.04Å
256	V	98.8	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.5	-177.6	-171.1	0	0	0	0	110.9	V217 L219 I252 S254 I258 C279 K281 A282 V283	V217-V256 HydrophobicContact CB-CG1 4.32Å; V217-V256 HydrophobicContact CB-CG2 4.24Å; V217-V256 HydrophobicContact CG1-CG1 4.47Å; V217-V256 CarbonylContact O-C 3.53Å; V217-V256 WeakPolarHBondContact O-CA 3.21Å; L219-V256 HydrophobicContact CD1-CG1 4.13Å; L219-V256 HydrophobicContact CG-CG1 4.23Å; I252-V256 HydrophobicContact CB-CG2 4.28Å; I252-V256 HydrophobicContact CG2-CG2 3.59Å; S254-V256 WeakPolarHBondContact O-CG2 3.44Å; S254-V256 PolarHBondContact O-N 3.44Å; V256-I258 HydrophobicContact CG1-CG1 4.16Å; V256-C279 HydrophobicContact CB-CB 4.38Å; V256-C279 HydrophobicContact CG2-CB 4.49Å; V256-K281 PolarHBondContact N-O 3.07Å; V256-A282 WeakPolarHBondContact O-CA 3.35Å; V256-V283 WeakPolarHBondContact O-CG2 3.44Å; V256-V283 PolarHBondContact O-N 3.06Å
257	L	98.9	Very high	97.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.5	167.7	172.6	61.2	0	0	0	109.2	V217 I218 L219 I259 V283 E284 R305 L306 F309	V217-L257 PolarHBondContact O-N 3.09Å; I218-L257 CarbonylContact C-O 3.58Å; I218-L257 WeakPolarHBondContact CA-O 3.5Å; I218-L257 HydrophobicContact CG1-CB 4.29Å; I218-L257 HydrophobicContact CG1-CD2 4.43Å; I218-L257 HydrophobicContact CG2-CD2 4.38Å; L219-L257 PolarHBondContact N-O 3.25Å; L257-I259 HydrophobicContact CD1-CG1 4.48Å; L257-I259 HydrophobicContact CD2-CD1 4.14Å; L257-I259 HydrophobicContact CD2-CG1 4.21Å; L257-I259 HydrophobicContact CG-CD1 4.48Å; L257-I259 HydrophobicContact CG-CG1 4.04Å; L257-V283 HydrophobicContact CB-CG2 3.82Å; L257-V283 HydrophobicContact CD1-CG2 4.17Å; L257-E284 VanDerWaalsContact CD1-O 3.29Å; L257-E284 WeakPolarHBondContact CD1-O 3.44Å; L257-R305 HydrophobicContact CD1-CG 4.07Å; L257-R305 HydrophobicContact CD2-CG 4.03Å; L257-L306 HydrophobicContact CD2-CD2 4.12Å; L257-F309 HydrophobicContact CB-CD1 3.84Å; L257-F309 HydrophobicContact CB-CE1 3.65Å; L257-F309 HydrophobicContact CB-CG 4.34Å; L257-F309 HydrophobicContact CB-CZ 4.02Å; L257-F309 HydrophobicContact CD2-CB 4.05Å; L257-F309 HydrophobicContact CD2-CD1 3.66Å; L257-F309 HydrophobicContact CD2-CE1 4.33Å; L257-F309 HydrophobicContact CD2-CG 3.99Å; L257-F309 HydrophobicContact CG-CD1 4.39Å
258	I	98.9	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.6	170.6	-51.5	-163.1	0	0	0	109.1	L219 P222 V256 L275 Y276 P285 L286 W287	L219-I258 HydrophobicContact CB-CG1 4.44Å; L219-I258 HydrophobicContact CD1-CD1 4.48Å; L219-I258 WeakPolarHBondContact O-CA 3.23Å; P222-I258 HydrophobicContact CG-CG2 3.93Å; V256-I258 HydrophobicContact CG1-CG1 4.16Å; I258-L275 HydrophobicContact CD1-CB 3.82Å; I258-Y276 VanDerWaalsContact CD1-CA 3.43Å; I258-P285 WeakPolarHBondContact O-CA 3.11Å; I258-L286 PolarHBondContact O-N 2.75Å; I258-W287 HydrophobicContact CB-CH2 4.01Å; I258-W287 HydrophobicContact CB-CZ3 4.16Å; I258-W287 HydrophobicContact CG2-CH2 3.85Å; I258-W287 HydrophobicContact CG2-CZ3 3.7Å
259	I	98.9	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	176.3	-52.9	177.8	0	0	0	107.6	I218 L219 H220 S221 L257 L286 I296 Y302 L306	I218-I259 HydrophobicContact CG2-CD1 3.98Å; I218-I259 HydrophobicContact CG2-CG1 4.47Å; L219-I259 PolarHBondContact O-N 3.26Å; H220-I259 WeakPolarHBondContact CA-O 3.42Å; S221-I259 PolarHBondContact N-O 3.16Å; L257-I259 HydrophobicContact CD1-CG1 4.48Å; L257-I259 HydrophobicContact CD2-CD1 4.14Å; L257-I259 HydrophobicContact CD2-CG1 4.21Å; L257-I259 HydrophobicContact CG-CD1 4.48Å; L257-I259 HydrophobicContact CG-CG1 4.04Å; I259-L286 CarbonylContact C-O 3.55Å; I259-L286 VanDerWaalsContact CA-O 3.3Å; I259-L286 WeakPolarHBondContact CA-O 3.45Å; I259-L286 HydrophobicContact CG1-CB 4.26Å; I259-L286 HydrophobicContact CG2-CB 4.31Å; I259-L286 HydrophobicContact CG2-CD2 3.9Å; I259-L286 HydrophobicContact CG2-CG 4.21Å; I259-I296 HydrophobicContact CG2-CG2 3.8Å; I259-Y302 HydrophobicContact CD1-CD2 4.09Å; I259-Y302 HydrophobicContact CD1-CE2 3.98Å; I259-Y302 HydrophobicContact CG2-CD2 4.31Å; I259-L306 HydrophobicContact CD1-CD2 3.91Å; I259-L306 HydrophobicContact CD1-CG 4.34Å
260	H	98.8	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141.8	-179.8	-141.7	121.6	0	0	0	110.9	P222 D264 I267 F269 G272 L286 W287 V288	P222-H260 WeakPolarHBondContact CD-ND1 3.15Å; H260-D264 IonicContact CD2-OD2 2.82Å; H260-D264 IonicContact NE2-OD2 3.28Å; H260-D264 PolarHBondContact NE2-OD2 2.86Å; H260-I267 PolarHBondContact NE2-O 3.48Å; H260-F269 HydrophobicContact CB-CD2 4.13Å; H260-F269 HydrophobicContact CB-CE2 4.41Å; H260-G272 WeakPolarHBondContact ND1-CA 3.21Å; H260-G272 PolarHBondContact ND1-N 3.1Å; H260-L286 PolarHBondContact N-O 2.75Å; H260-W287 HydrophobicContact CB-CE3 3.82Å; H260-W287 HydrophobicContact CB-CZ3 3.77Å; H260-W287 CarbonylContact O-C 3.49Å; H260-W287 WeakPolarHBondContact O-CA 3.3Å; H260-V288 PolarHBondContact O-N 3.17Å
261	G	98.6	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	143.3	171.1	0	0	0	0	0	111.5	E263 V288 A291 I296	G261-E263 VanDerWaalsContact C-N 3.3Å; G261-V288 WeakPolarHBondContact CA-O 3.3Å; G261-A291 CarbonylContact C-O 3.09Å; G261-A291 VanDerWaalsContact C-O 3.31Å; G261-A291 WeakPolarHBondContact CA-O 3.32Å; G261-I296 VanDerWaalsContact N-CD1 3.31Å
262	T	98.4	Very high	97.5	Very high	35 Å²	35	33.8 Å²	33.8	22%	0.215	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.6	-179.5	60.6	0	0	0	0	113.2	F269 W287 V288 E289 G290 A291	T262-F269 HydrophobicContact CG2-CD2 4.45Å; T262-F269 HydrophobicContact CG2-CE2 4.36Å; T262-W287 HydrophobicContact CG2-CB 4.38Å; T262-V288 PolarHBondContact N-O 3.1Å; T262-E289 WeakPolarHBondContact OG1-CA 3.39Å; T262-E289 PolarHBondContact OG1-OE1 3.21Å; T262-G290 PolarHBondContact OG1-N 3.06Å; T262-A291 PolarHBondContact N-O 2.9Å
263	E	97.7	Very high	97.5	Very high	118 Å²	118	36.8 Å²	36.8	55%	0.551	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	32.6	178.6	-61.6	-172.8	-174.5	0	0	111.4	G261 E265 A291 G292	G261-E263 VanDerWaalsContact C-N 3.3Å; E263-E265 PolarHBondContact O-N 3.18Å; E263-A291 CarbonylContact C-O 3.54Å; E263-A291 PolarHBondContact N-O 2.63Å; E263-G292 WeakPolarHBondContact O-CA 3.37Å
264	D	97.4	Very high	97.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.027	19%	0.185	C	C	.	.			trans	-72.1	99.3	178.5	-170.3	-22.6	0	0	0	112.1	H260 V266 I267 D268 H293	H260-D264 IonicContact CD2-OD2 2.82Å; H260-D264 IonicContact NE2-OD2 3.28Å; H260-D264 PolarHBondContact NE2-OD2 2.86Å; D264-V266 VanDerWaalsContact C-N 3.31Å; D264-V266 PolarHBondContact O-N 3.32Å; D264-V266 PolarHBondContact OD1-N 3.49Å; D264-I267 VanDerWaalsContact CB-O 3.32Å; D264-I267 WeakPolarHBondContact CB-O 3.43Å; D264-I267 CarbonylContact O-C 3.49Å; D264-I267 PolarHBondContact OD1-N 2.47Å; D264-D268 WeakPolarHBondContact O-CA 3.39Å; D264-H293 VanDerWaalsContact CG-ND1 3.29Å; D264-H293 VanDerWaalsContact OD1-CB 3.24Å; D264-H293 WeakPolarHBondContact OD1-CB 3.3Å; D264-H293 IonicContact OD1-CG 3.91Å; D264-H293 IonicContact OD1-ND1 3.19Å; D264-H293 PolarHBondContact OD1-ND1 3.06Å; D264-H293 VanDerWaalsContact OD1-ND1 3.09Å; D264-H293 IonicContact OD2-CE1 2.73Å; D264-H293 IonicContact OD2-CG 2.71Å; D264-H293 IonicContact OD2-ND1 2.91Å; D264-H293 PolarHBondContact OD2-ND1 3.25Å
265	E	92.1	Very high	97.6	Very high	177 Å²	177	34.6 Å²	34.6	83%	0.827	19%	0.185	S	C	*	.	S	Bend	trans	-79.5	-5.4	179.3	-63.7	-64	160.7	0	0	114.6	E263	E263-E265 PolarHBondContact O-N 3.18Å
266	V	92.6	Very high	97.6	Very high	82 Å²	82	37.4 Å²	37.4	50%	0.497	19%	0.194	S	C	.	.	S	Bend	trans	-99.8	-45.7	179.5	-176.8	0	0	0	0	110.4	D264 H293	D264-V266 VanDerWaalsContact C-N 3.31Å; D264-V266 PolarHBondContact O-N 3.32Å; D264-V266 PolarHBondContact OD1-N 3.49Å; V266-H293 HydrophobicContact CB-CB 3.83Å; V266-H293 HydrophobicContact CG2-CB 3.65Å
267	I	94.9	Very high	97.6	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.041	23%	0.225	C	C	.	.	S	Bend	trans	-130.7	97	175.9	-55.4	-175.5	0	0	0	106.8	S221 P222 L223 V229 H260 D264 F269 H271	S221-I267 WeakPolarHBondContact O-CD1 3.13Å; P222-I267 WeakPolarHBondContact O-CG2 3.37Å; L223-I267 HydrophobicContact CB-CD1 4.17Å; L223-I267 HydrophobicContact CB-CG2 4.16Å; V229-I267 HydrophobicContact CG2-CG1 4.5Å; V229-I267 HydrophobicContact CG2-CG2 4.49Å; H260-I267 PolarHBondContact NE2-O 3.48Å; D264-I267 VanDerWaalsContact CB-O 3.32Å; D264-I267 WeakPolarHBondContact CB-O 3.43Å; D264-I267 CarbonylContact O-C 3.49Å; D264-I267 PolarHBondContact OD1-N 2.47Å; I267-F269 PolarHBondContact O-N 2.99Å; I267-H271 HydrophobicContact CG2-CB 3.81Å
268	D	97.2	Very high	97.5	Very high	86 Å²	86	49.5 Å²	49.5	46%	0.46	25%	0.246	S	C	.	.			trans	-46.3	139.2	-176.9	178.8	-93.6	0	0	0	112.6	D264 S270 H271	D264-D268 WeakPolarHBondContact O-CA 3.39Å; D268-S270 PolarHBondContact O-N 3.16Å; D268-S270 WeakPolarHBondContact OD1-CA 3.45Å; D268-S270 WeakPolarHBondContact OD1-CB 3.4Å; D268-S270 PolarHBondContact OD1-N 2.89Å; D268-S270 PolarHBondContact OD1-OG 2.88Å; D268-H271 WeakPolarHBondContact O-CB 3.39Å; D268-H271 PolarHBondContact O-N 3.14Å
269	F	97.9	Very high	97.4	Very high	50 Å²	50	50 Å²	50	22%	0.219	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-31	-178.4	172.6	-107.8	0	0	0	113.7	H260 T262 I267 H271 G272 L273 W287	H260-F269 HydrophobicContact CB-CD2 4.13Å; H260-F269 HydrophobicContact CB-CE2 4.41Å; T262-F269 HydrophobicContact CG2-CD2 4.45Å; T262-F269 HydrophobicContact CG2-CE2 4.36Å; I267-F269 PolarHBondContact O-N 2.99Å; F269-H271 PolarHBondContact O-N 2.83Å; F269-G272 PolarHBondContact O-N 2.86Å; F269-G272 VanDerWaalsContact O-N 3.1Å; F269-L273 PolarHBondContact O-N 2.86Å; F269-W287 HydrophobicContact CE2-CB 4.06Å; F269-W287 AromaticContact CE2-CD2 3.63Å; F269-W287 HydrophobicContact CE2-CD2 3.63Å; F269-W287 AromaticContact CE2-CE3 3.61Å; F269-W287 HydrophobicContact CE2-CE3 3.61Å; F269-W287 AromaticContact CE2-CG 3.84Å; F269-W287 HydrophobicContact CE2-CG 3.84Å; F269-W287 HydrophobicContact CE2-CZ3 4.26Å; F269-W287 HydrophobicContact CZ-CB 4.38Å; F269-W287 AromaticContact CZ-CD2 3.92Å; F269-W287 HydrophobicContact CZ-CD2 3.92Å; F269-W287 HydrophobicContact CZ-CE3 4.32Å; F269-W287 AromaticContact CZ-CG 3.94Å; F269-W287 HydrophobicContact CZ-CG 3.94Å
270	S	97.8	Very high	97.3	Very high	57 Å²	57	54.1 Å²	54.1	40%	0.399	28%	0.276	S	S	.	.	H	α-helix	trans	-57.4	-23.6	176.3	68.3	0	0	0	0	113.3	D268 A274	D268-S270 PolarHBondContact O-N 3.16Å; D268-S270 WeakPolarHBondContact OD1-CA 3.45Å; D268-S270 WeakPolarHBondContact OD1-CB 3.4Å; D268-S270 PolarHBondContact OD1-N 2.89Å; D268-S270 PolarHBondContact OD1-OG 2.88Å; S270-A274 WeakPolarHBondContact O-CB 3.49Å; S270-A274 PolarHBondContact O-N 3.41Å
271	H	98.4	Very high	97.2	Very high	9 Å²	9	59 Å²	59	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-46	176.4	-75.9	-138.5	0	0	0	112	P222 L223 T224 I267 D268 F269 A274 L275	P222-H271 VanDerWaalsContact O-CB 3.24Å; P222-H271 WeakPolarHBondContact O-CB 3.34Å; L223-H271 WeakPolarHBondContact CA-ND1 3.17Å; T224-H271 HydrophobicContact CG2-CB 3.9Å; T224-H271 WeakPolarHBondContact CG2-O 3.25Å; T224-H271 PolarHBondContact N-ND1 3.26Å; T224-H271 VanDerWaalsContact N-ND1 3.14Å; T224-H271 PolarHBondContact OG1-CE1 2.75Å; T224-H271 VanDerWaalsContact OG1-CE1 3.26Å; T224-H271 PolarHBondContact OG1-ND1 3.1Å; I267-H271 HydrophobicContact CG2-CB 3.81Å; D268-H271 WeakPolarHBondContact O-CB 3.39Å; D268-H271 PolarHBondContact O-N 3.14Å; F269-H271 PolarHBondContact O-N 2.83Å; H271-A274 PolarHBondContact O-N 3.33Å; H271-L275 WeakPolarHBondContact O-CG 3.47Å; H271-L275 PolarHBondContact O-N 2.73Å; H271-L275 VanDerWaalsContact O-N 3.1Å
272	G	98.3	Very high	97.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-46.8	174.9	0	0	0	0	0	111.3	H260 F269 L275 Y276	H260-G272 WeakPolarHBondContact ND1-CA 3.21Å; H260-G272 PolarHBondContact ND1-N 3.1Å; F269-G272 PolarHBondContact O-N 2.86Å; F269-G272 VanDerWaalsContact O-N 3.1Å; G272-L275 PolarHBondContact O-N 3.09Å; G272-Y276 WeakPolarHBondContact O-CB 3.29Å; G272-Y276 PolarHBondContact O-N 3.47Å
273	L	98.4	Very high	97.1	Very high	63 Å²	63	60.1 Å²	60.1	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-47.2	177.3	-175.9	63.5	0	0	0	112.1	F269 L275 Y276 E277	F269-L273 PolarHBondContact O-N 2.86Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 PolarHBondContact O-N 2.93Å; L273-Y276 WeakPolarHBondContact O-CB 3.35Å; L273-Y276 PolarHBondContact O-N 2.83Å; L273-Y276 VanDerWaalsContact O-N 3.16Å; L273-E277 HydrophobicContact CD1-CG 4.47Å; L273-E277 WeakPolarHBondContact O-CG 3.3Å; L273-E277 PolarHBondContact O-N 3.07Å
274	A	98.3	Very high	97.2	Very high	22 Å²	22	60 Å²	60	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-27.4	-178.5	0	0	0	0	0	113.8	T224 I246 S270 H271 R278	T224-A274 HydrophobicContact CG2-CB 3.95Å; I246-A274 HydrophobicContact CD1-CB 4.46Å; S270-A274 WeakPolarHBondContact O-CB 3.49Å; S270-A274 PolarHBondContact O-N 3.41Å; H271-A274 PolarHBondContact O-N 3.33Å; A274-R278 WeakPolarHBondContact O-CG 3.43Å; A274-R278 PolarHBondContact O-NH1 3.38Å
275	L	98.5	Very high	97.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-78.9	-40.4	171.8	-71.7	173.4	0	0	0	111.2	P222 T224 N245 I246 V249 I258 H271 G272 L273 E277 R278 C279	P222-L275 HydrophobicContact CB-CD1 3.48Å; P222-L275 VanDerWaalsContact CB-CD1 3.48Å; P222-L275 HydrophobicContact CG-CD1 3.68Å; T224-L275 HydrophobicContact CG2-CD2 4.47Å; T224-L275 HydrophobicContact CG2-CG 4.05Å; N245-L275 HydrophobicContact CB-CD2 4.31Å; I246-L275 HydrophobicContact CD1-CD2 3.63Å; I246-L275 HydrophobicContact CD1-CG 4.29Å; V249-L275 HydrophobicContact CB-CD2 3.9Å; V249-L275 HydrophobicContact CG1-CD2 3.78Å; V249-L275 HydrophobicContact CG2-CD2 4.09Å; I258-L275 HydrophobicContact CD1-CB 3.82Å; H271-L275 WeakPolarHBondContact O-CG 3.47Å; H271-L275 PolarHBondContact O-N 2.73Å; H271-L275 VanDerWaalsContact O-N 3.1Å; G272-L275 PolarHBondContact O-N 3.09Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 PolarHBondContact O-N 2.93Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-E277 PolarHBondContact O-N 2.75Å; L275-R278 PolarHBondContact O-N 3.08Å; L275-R278 VanDerWaalsContact O-N 3.12Å; L275-C279 PolarHBondContact O-N 3.45Å; L275-C279 PolarHBondContact O-SG 3.24Å
276	Y	98.6	Very high	97.5	Very high	73 Å²	73	53.3 Å²	53.3	29%	0.286	28%	0.278	S	S	.	.	H	α-helix	trans	-55.8	-50.1	176.7	175.4	-103.3	0	0	0	111	I258 G272 L273 R278 C279 A282 V283 P285 W287	I258-Y276 VanDerWaalsContact CD1-CA 3.43Å; G272-Y276 WeakPolarHBondContact O-CB 3.29Å; G272-Y276 PolarHBondContact O-N 3.47Å; L273-Y276 WeakPolarHBondContact O-CB 3.35Å; L273-Y276 PolarHBondContact O-N 2.83Å; L273-Y276 VanDerWaalsContact O-N 3.16Å; Y276-R278 PolarHBondContact O-N 2.8Å; Y276-R278 VanDerWaalsContact O-N 3.16Å; Y276-C279 PolarHBondContact O-N 3.41Å; Y276-A282 HydrophobicContact CD2-CB 3.61Å; Y276-A282 HydrophobicContact CE2-CB 3.45Å; Y276-A282 VanDerWaalsContact CE2-CB 3.45Å; Y276-A282 HydrophobicContact CG-CB 4.48Å; Y276-V283 WeakPolarHBondContact CE2-O 3.14Å; Y276-P285 HydrophobicContact CD2-CB 3.98Å; Y276-P285 HydrophobicContact CD2-CG 4.05Å; Y276-P285 HydrophobicContact CE2-CB 4.02Å; Y276-P285 HydrophobicContact CE2-CG 3.72Å; Y276-W287 HydrophobicContact CD1-CZ2 4.39Å; Y276-W287 HydrophobicContact CD2-CZ2 4.44Å; Y276-W287 HydrophobicContact CG-CH2 4.35Å; Y276-W287 HydrophobicContact CG-CZ2 4.07Å
277	E	98.3	Very high	97.8	Very high	137 Å²	137	52.9 Å²	52.9	64%	0.64	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.5	179.7	-69.3	177	160.3	0	0	113.9	L273 L275	L273-E277 HydrophobicContact CD1-CG 4.47Å; L273-E277 WeakPolarHBondContact O-CG 3.3Å; L273-E277 PolarHBondContact O-N 3.07Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-E277 PolarHBondContact O-N 2.75Å
278	R	98.1	Very high	98	Very high	118 Å²	118	52.5 Å²	52.5	45%	0.445	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-10.5	179.6	-72.9	-173.4	179.7	87.8	-7.7	113.8	V249 S250 A274 L275 Y276 P280	V249-R278 HydrophobicContact CG1-CB 3.64Å; S250-R278 WeakPolarHBondContact CA-O 3.24Å; A274-R278 WeakPolarHBondContact O-CG 3.43Å; A274-R278 PolarHBondContact O-NH1 3.38Å; L275-R278 PolarHBondContact O-N 3.08Å; L275-R278 VanDerWaalsContact O-N 3.12Å; Y276-R278 PolarHBondContact O-N 2.8Å; Y276-R278 VanDerWaalsContact O-N 3.16Å; R278-P280 WeakPolarHBondContact O-CD 3.46Å
279	C	96.8	Very high	98	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.074	27%	0.274	C	S	.	.			trans	-75.6	119.2	177.7	-76.3	0	0	0	0	110.1	V249 V256 L275 Y276 K281 A282	V249-C279 WeakPolarHBondContact CG2-SG 3.34Å; V256-C279 HydrophobicContact CB-CB 4.38Å; V256-C279 HydrophobicContact CG2-CB 4.49Å; L275-C279 PolarHBondContact O-N 3.45Å; L275-C279 PolarHBondContact O-SG 3.24Å; Y276-C279 PolarHBondContact O-N 3.41Å; C279-K281 VanDerWaalsContact C-N 3.26Å; C279-K281 PolarHBondContact O-N 2.63Å; C279-A282 HydrophobicContact CB-CB 3.72Å; C279-A282 PolarHBondContact O-N 3.36Å
280	P	96.4	Very high	98	Very high	86 Å²	86	53.9 Å²	53.9	56%	0.558	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-29	-178.5	-20.2	32.4	0	0	0	113.5	S250 R278	S250-P280 WeakPolarHBondContact O-CG 3.15Å; R278-P280 WeakPolarHBondContact O-CD 3.46Å
281	K	96.8	Very high	98	Very high	103 Å²	103	51.1 Å²	51.1	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	43.1	178.6	-60	-159.8	-166.9	162.3	0	111.8	T253 P255 V256 C279 V283	T253-K281 WeakPolarHBondContact O-CD 3.42Å; T253-K281 WeakPolarHBondContact O-CE 3.19Å; T253-K281 PolarHBondContact O-NZ 3.37Å; P255-K281 WeakPolarHBondContact CA-O 3.44Å; V256-K281 PolarHBondContact N-O 3.07Å; C279-K281 VanDerWaalsContact C-N 3.26Å; C279-K281 PolarHBondContact O-N 2.63Å; K281-V283 PolarHBondContact O-N 3.48Å
282	A	97.6	Very high	97.9	Very high	31 Å²	31	51.3 Å²	51.3	26%	0.256	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-60.7	129.9	171	0	0	0	0	0	109.9	V256 Y276 C279	V256-A282 WeakPolarHBondContact O-CA 3.35Å; Y276-A282 HydrophobicContact CD2-CB 3.61Å; Y276-A282 HydrophobicContact CE2-CB 3.45Å; Y276-A282 VanDerWaalsContact CE2-CB 3.45Å; Y276-A282 HydrophobicContact CG-CB 4.48Å; C279-A282 HydrophobicContact CB-CB 3.72Å; C279-A282 PolarHBondContact O-N 3.36Å
283	V	98.1	Very high	97.7	Very high	26 Å²	26	52 Å²	52	16%	0.158	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-92.6	171.7	167.7	-59.3	0	0	0	0	109.9	P255 V256 L257 Y276 K281 P285 F309	P255-V283 HydrophobicContact CB-CG1 4.06Å; V256-V283 WeakPolarHBondContact O-CG2 3.44Å; V256-V283 PolarHBondContact O-N 3.06Å; L257-V283 HydrophobicContact CB-CG2 3.82Å; L257-V283 HydrophobicContact CD1-CG2 4.17Å; Y276-V283 WeakPolarHBondContact CE2-O 3.14Å; K281-V283 PolarHBondContact O-N 3.48Å; V283-P285 WeakPolarHBondContact O-CD 3.23Å; V283-F309 HydrophobicContact CB-CE2 4.3Å; V283-F309 HydrophobicContact CG1-CE2 3.93Å; V283-F309 HydrophobicContact CG2-CD2 3.91Å; V283-F309 HydrophobicContact CG2-CE2 3.59Å; V283-F309 HydrophobicContact CG2-CZ 4.14Å
284	E	98.2	Very high	97.4	Very high	115 Å²	115	55 Å²	55	54%	0.537	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-47.7	116.3	177.1	-174.8	174.3	-168.8	0	0	110.6	L257 R305 R308	L257-E284 VanDerWaalsContact CD1-O 3.29Å; L257-E284 WeakPolarHBondContact CD1-O 3.44Å; E284-R305 VanDerWaalsContact O-CZ 3.23Å; E284-R305 PolarHBondContact O-NE 2.85Å; E284-R305 PolarHBondContact O-NH2 3.23Å; E284-R308 IonicContact OE2-CZ 3.99Å; E284-R308 IonicContact OE2-NH2 2.93Å; E284-R308 PolarHBondContact OE2-NH2 3.27Å
285	P	98.6	Very high	97.3	Very high	25 Å²	25	56.4 Å²	56.4	16%	0.162	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-75.7	170	-175	32.3	-34.4	0	0	0	110.7	I258 Y276 V283 W287	I258-P285 WeakPolarHBondContact O-CA 3.11Å; Y276-P285 HydrophobicContact CD2-CB 3.98Å; Y276-P285 HydrophobicContact CD2-CG 4.05Å; Y276-P285 HydrophobicContact CE2-CB 4.02Å; Y276-P285 HydrophobicContact CE2-CG 3.72Å; V283-P285 WeakPolarHBondContact O-CD 3.23Å; P285-W287 HydrophobicContact CB-CD2 4.05Å; P285-W287 HydrophobicContact CB-CE3 4.25Å; P285-W287 HydrophobicContact CB-CH2 3.57Å; P285-W287 HydrophobicContact CB-CZ2 3.3Å; P285-W287 HydrophobicContact CB-CZ3 4.03Å; P285-W287 HydrophobicContact CG-CD2 4.25Å; P285-W287 VanDerWaalsContact CG-CE2 3.41Å; P285-W287 HydrophobicContact CG-CH2 4.19Å; P285-W287 HydrophobicContact CG-CZ2 3.39Å
286	L	98.8	Very high	97.2	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.7	166.9	173.3	64.8	0	0	0	109.7	I258 I259 H260 V288 Q301 R305	I258-L286 PolarHBondContact O-N 2.75Å; I259-L286 CarbonylContact C-O 3.55Å; I259-L286 VanDerWaalsContact CA-O 3.3Å; I259-L286 WeakPolarHBondContact CA-O 3.45Å; I259-L286 HydrophobicContact CG1-CB 4.26Å; I259-L286 HydrophobicContact CG2-CB 4.31Å; I259-L286 HydrophobicContact CG2-CD2 3.9Å; I259-L286 HydrophobicContact CG2-CG 4.21Å; H260-L286 PolarHBondContact N-O 2.75Å; L286-V288 HydrophobicContact CD1-CG2 4.04Å; L286-V288 HydrophobicContact CD2-CG2 3.84Å; L286-V288 HydrophobicContact CG-CG2 3.65Å; L286-Q301 HydrophobicContact CD1-CB 4.06Å; L286-R305 HydrophobicContact CB-CB 4.25Å; L286-R305 HydrophobicContact CB-CG 3.87Å; L286-R305 HydrophobicContact CD2-CB 3.77Å; L286-R305 HydrophobicContact CD2-CG 4.28Å; L286-R305 HydrophobicContact CG-CB 4.41Å
287	W	98.7	Very high	97	Very high	72 Å²	72	55 Å²	55	27%	0.273	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.7	167.7	-46.1	138.6	0	0	0	107.8	I258 H260 T262 F269 Y276 P285 E289	I258-W287 HydrophobicContact CB-CH2 4.01Å; I258-W287 HydrophobicContact CB-CZ3 4.16Å; I258-W287 HydrophobicContact CG2-CH2 3.85Å; I258-W287 HydrophobicContact CG2-CZ3 3.7Å; H260-W287 HydrophobicContact CB-CE3 3.82Å; H260-W287 HydrophobicContact CB-CZ3 3.77Å; H260-W287 CarbonylContact O-C 3.49Å; H260-W287 WeakPolarHBondContact O-CA 3.3Å; T262-W287 HydrophobicContact CG2-CB 4.38Å; F269-W287 HydrophobicContact CE2-CB 4.06Å; F269-W287 AromaticContact CE2-CD2 3.63Å; F269-W287 HydrophobicContact CE2-CD2 3.63Å; F269-W287 AromaticContact CE2-CE3 3.61Å; F269-W287 HydrophobicContact CE2-CE3 3.61Å; F269-W287 AromaticContact CE2-CG 3.84Å; F269-W287 HydrophobicContact CE2-CG 3.84Å; F269-W287 HydrophobicContact CE2-CZ3 4.26Å; F269-W287 HydrophobicContact CZ-CB 4.38Å; F269-W287 AromaticContact CZ-CD2 3.92Å; F269-W287 HydrophobicContact CZ-CD2 3.92Å; F269-W287 HydrophobicContact CZ-CE3 4.32Å; F269-W287 AromaticContact CZ-CG 3.94Å; F269-W287 HydrophobicContact CZ-CG 3.94Å; Y276-W287 HydrophobicContact CD1-CZ2 4.39Å; Y276-W287 HydrophobicContact CD2-CZ2 4.44Å; Y276-W287 HydrophobicContact CG-CH2 4.35Å; Y276-W287 HydrophobicContact CG-CZ2 4.07Å; P285-W287 HydrophobicContact CB-CD2 4.05Å; P285-W287 HydrophobicContact CB-CE3 4.25Å; P285-W287 HydrophobicContact CB-CH2 3.57Å; P285-W287 HydrophobicContact CB-CZ2 3.3Å; P285-W287 HydrophobicContact CB-CZ3 4.03Å; P285-W287 HydrophobicContact CG-CD2 4.25Å; P285-W287 VanDerWaalsContact CG-CE2 3.41Å; P285-W287 HydrophobicContact CG-CH2 4.19Å; P285-W287 HydrophobicContact CG-CZ2 3.39Å; W287-E289 PolarHBondContact O-N 3.08Å
288	V	98.4	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.8	-177.6	-171.5	0	0	0	0	108.6	H260 G261 T262 L286 G290 A291 I296 Y299	H260-V288 PolarHBondContact O-N 3.17Å; G261-V288 WeakPolarHBondContact CA-O 3.3Å; T262-V288 PolarHBondContact N-O 3.1Å; L286-V288 HydrophobicContact CD1-CG2 4.04Å; L286-V288 HydrophobicContact CD2-CG2 3.84Å; L286-V288 HydrophobicContact CG-CG2 3.65Å; V288-G290 PolarHBondContact O-N 2.84Å; V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.51Å; V288-A291 PolarHBondContact O-N 2.9Å; V288-I296 HydrophobicContact CG2-CG2 4.01Å; V288-Y299 HydrophobicContact CG1-CD1 3.52Å; V288-Y299 HydrophobicContact CG1-CD2 3.94Å; V288-Y299 HydrophobicContact CG1-CE1 4.04Å; V288-Y299 HydrophobicContact CG1-CE2 4.45Å; V288-Y299 HydrophobicContact CG1-CG 3.47Å; V288-Y299 VanDerWaalsContact CG1-CG 3.47Å
289	E	98.1	Very high	96.8	Very high	141 Å²	141	53.7 Å²	53.7	66%	0.659	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	126.9	-177.3	-166.5	62.5	-118.3	0	0	111.4	T262 W287 A291	T262-E289 WeakPolarHBondContact OG1-CA 3.39Å; T262-E289 PolarHBondContact OG1-OE1 3.21Å; W287-E289 PolarHBondContact O-N 3.08Å; E289-A291 PolarHBondContact O-N 3.41Å
290	G	97.4	Very high	96.8	Very high	24 Å²	24	57.9 Å²	57.9	25%	0.247	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.2	179.3	0	0	0	0	0	115.1	T262 V288 Y299	T262-G290 PolarHBondContact OG1-N 3.06Å; V288-G290 PolarHBondContact O-N 2.84Å; G290-Y299 PolarHBondContact O-OH 3.02Å; G290-Y299 VanDerWaalsContact O-OH 3.1Å
291	A	97.9	Very high	96.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.			trans	-85.6	142.7	174	0	0	0	0	0	111	G261 T262 E263 V288 E289 D295 I296 Y299	G261-A291 CarbonylContact C-O 3.09Å; G261-A291 VanDerWaalsContact C-O 3.31Å; G261-A291 WeakPolarHBondContact CA-O 3.32Å; T262-A291 PolarHBondContact N-O 2.9Å; E263-A291 CarbonylContact C-O 3.54Å; E263-A291 PolarHBondContact N-O 2.63Å; V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.51Å; V288-A291 PolarHBondContact O-N 2.9Å; E289-A291 PolarHBondContact O-N 3.41Å; A291-D295 WeakPolarHBondContact CA-OD1 3.35Å; A291-D295 WeakPolarHBondContact CB-OD1 3.41Å; A291-I296 HydrophobicContact CB-CG1 3.81Å; A291-Y299 HydrophobicContact CB-CD2 4.01Å; A291-Y299 HydrophobicContact CB-CE1 4.4Å; A291-Y299 HydrophobicContact CB-CE2 3.54Å
292	G	95.4	Very high	96.9	Very high	12 Å²	12	53.4 Å²	53.4	12%	0.124	28%	0.279	C	S	.	.			trans	-92.8	-160.5	171	0	0	0	0	0	113.1	E263 N294 D295 I296	E263-G292 WeakPolarHBondContact O-CA 3.37Å; G292-N294 PolarHBondContact O-N 3.21Å; G292-D295 PolarHBondContact N-OD1 3Å; G292-D295 PolarHBondContact N-OD2 2.66Å; G292-I296 WeakPolarHBondContact O-CG1 3.16Å
293	H	95.2	Very high	96.9	Very high	16 Å²	16	53.5 Å²	53.5	7%	0.074	28%	0.275	C	S	.	.	S	Bend	trans	-69.9	-32.3	-174.7	-162	62.9	0	0	0	114.6	S199 D264 V266	S199-H293 VanDerWaalsContact CB-NE2 3.3Å; S199-H293 WeakPolarHBondContact CB-NE2 3.16Å; S199-H293 PolarHBondContact OG-CE1 3.26Å; S199-H293 PolarHBondContact OG-NE2 3.38Å; D264-H293 VanDerWaalsContact CG-ND1 3.29Å; D264-H293 VanDerWaalsContact OD1-CB 3.24Å; D264-H293 WeakPolarHBondContact OD1-CB 3.3Å; D264-H293 IonicContact OD1-CG 3.91Å; D264-H293 IonicContact OD1-ND1 3.19Å; D264-H293 PolarHBondContact OD1-ND1 3.06Å; D264-H293 VanDerWaalsContact OD1-ND1 3.09Å; D264-H293 IonicContact OD2-CE1 2.73Å; D264-H293 IonicContact OD2-CG 2.71Å; D264-H293 IonicContact OD2-ND1 2.91Å; D264-H293 PolarHBondContact OD2-ND1 3.25Å; V266-H293 HydrophobicContact CB-CB 3.83Å; V266-H293 HydrophobicContact CG2-CB 3.65Å
294	N	92.3	Very high	96.9	Very high	125 Å²	125	56.3 Å²	56.3	67%	0.668	29%	0.289	S	S	*	.	S	Bend	trans	-121.6	8.9	-163.7	-60.1	-54.7	0	0	0	113.6	G292	G292-N294 PolarHBondContact O-N 3.21Å
295	D	94.9	Very high	96.9	Very high	51 Å²	51	51.7 Å²	51.7	27%	0.273	27%	0.267	S	S	.	.			trans	-123.1	-2.2	-175.7	60.7	14	0	0	0	113.7	A291 G292 E297 L298 Y299	A291-D295 WeakPolarHBondContact CA-OD1 3.35Å; A291-D295 WeakPolarHBondContact CB-OD1 3.41Å; G292-D295 PolarHBondContact N-OD1 3Å; G292-D295 PolarHBondContact N-OD2 2.66Å; D295-E297 PolarHBondContact O-N 3.12Å; D295-E297 VanDerWaalsContact O-N 3.16Å; D295-L298 HydrophobicContact CB-CD1 4.01Å; D295-L298 HydrophobicContact CB-CG 4.46Å; D295-L298 WeakPolarHBondContact O-CB 3.37Å; D295-L298 WeakPolarHBondContact O-CG 3.25Å; D295-L298 PolarHBondContact O-N 3.25Å; D295-Y299 HydrophobicContact CB-CE2 4.47Å; D295-Y299 VanDerWaalsContact O-CD2 3.23Å; D295-Y299 WeakPolarHBondContact O-CD2 3.23Å; D295-Y299 WeakPolarHBondContact O-CE2 3.13Å
296	I	96.5	Very high	96.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-52.8	-40.3	-179.4	-72.1	163.8	0	0	0	111.7	H220 S221 I259 G261 V288 A291 G292 L298 Y299 Y302	H220-I296 WeakPolarHBondContact NE2-CB 3.38Å; H220-I296 VanDerWaalsContact NE2-CD1 3.31Å; H220-I296 WeakPolarHBondContact NE2-CD1 3.35Å; H220-I296 VanDerWaalsContact NE2-CG2 3.3Å; H220-I296 WeakPolarHBondContact NE2-CG2 3.35Å; S221-I296 VanDerWaalsContact OG-CD1 3.25Å; S221-I296 WeakPolarHBondContact OG-CD1 3.5Å; I259-I296 HydrophobicContact CG2-CG2 3.8Å; G261-I296 VanDerWaalsContact N-CD1 3.31Å; V288-I296 HydrophobicContact CG2-CG2 4.01Å; A291-I296 HydrophobicContact CB-CG1 3.81Å; G292-I296 WeakPolarHBondContact O-CG1 3.16Å; I296-L298 PolarHBondContact O-N 2.9Å; I296-Y299 WeakPolarHBondContact O-CB 3.49Å; I296-Y299 PolarHBondContact O-N 3.47Å; I296-Y302 HydrophobicContact CG2-CD2 3.8Å; I296-Y302 HydrophobicContact CG2-CG 4.38Å
297	E	95.3	Very high	96.8	Very high	44 Å²	44	54.8 Å²	54.8	21%	0.206	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.4	-16.1	-179.6	-58.7	92.9	156.9	0	0	113.6	F139 Q198 H220 D295 Y299 Y302	F139-E297 HydrophobicContact CE2-CB 4.37Å; F139-E297 HydrophobicContact CE2-CG 3.9Å; F139-E297 HydrophobicContact CZ-CG 4.28Å; Q198-E297 PolarHBondContact NE2-OE1 2.88Å; H220-E297 VanDerWaalsContact CE1-CD 3.44Å; H220-E297 IonicContact CE1-OE1 3.91Å; H220-E297 PolarHBondContact CE1-OE1 3.33Å; H220-E297 IonicContact CE1-OE2 2.73Å; H220-E297 IonicContact ND1-OE1 3.18Å; D295-E297 PolarHBondContact O-N 3.12Å; D295-E297 VanDerWaalsContact O-N 3.16Å; E297-Y299 VanDerWaalsContact C-N 3.31Å; E297-Y302 HydrophobicContact CB-CD1 4.24Å; E297-Y302 HydrophobicContact CB-CE1 4.23Å; E297-Y302 HydrophobicContact CG-CD1 4.24Å; E297-Y302 HydrophobicContact CG-CE1 3.85Å; E297-Y302 HydrophobicContact CG-CE2 4.25Å
298	L	94.9	Very high	96.7	Very high	149 Å²	149	56.9 Å²	56.9	78%	0.78	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-78.3	-18	174.7	-52.4	-178.6	0	0	0	112.1	D295 I296	D295-L298 HydrophobicContact CB-CD1 4.01Å; D295-L298 HydrophobicContact CB-CG 4.46Å; D295-L298 WeakPolarHBondContact O-CB 3.37Å; D295-L298 WeakPolarHBondContact O-CG 3.25Å; D295-L298 PolarHBondContact O-N 3.25Å; I296-L298 PolarHBondContact O-N 2.9Å
299	Y	97.4	Very high	96.7	Very high	78 Å²	78	56.9 Å²	56.9	31%	0.306	28%	0.282	S	S	.	.	S	Bend	trans	-85.3	129.5	179.3	-66.8	-109.2	0	0	0	110.2	V288 G290 A291 D295 I296 E297 Q301 Y302	V288-Y299 HydrophobicContact CG1-CD1 3.52Å; V288-Y299 HydrophobicContact CG1-CD2 3.94Å; V288-Y299 HydrophobicContact CG1-CE1 4.04Å; V288-Y299 HydrophobicContact CG1-CE2 4.45Å; V288-Y299 HydrophobicContact CG1-CG 3.47Å; V288-Y299 VanDerWaalsContact CG1-CG 3.47Å; G290-Y299 PolarHBondContact O-OH 3.02Å; G290-Y299 VanDerWaalsContact O-OH 3.1Å; A291-Y299 HydrophobicContact CB-CD2 4.01Å; A291-Y299 HydrophobicContact CB-CE1 4.4Å; A291-Y299 HydrophobicContact CB-CE2 3.54Å; D295-Y299 HydrophobicContact CB-CE2 4.47Å; D295-Y299 VanDerWaalsContact O-CD2 3.23Å; D295-Y299 WeakPolarHBondContact O-CD2 3.23Å; D295-Y299 WeakPolarHBondContact O-CE2 3.13Å; I296-Y299 WeakPolarHBondContact O-CB 3.49Å; I296-Y299 PolarHBondContact O-N 3.47Å; E297-Y299 VanDerWaalsContact C-N 3.31Å; Y299-Q301 PolarHBondContact O-N 3.21Å; Y299-Y302 VanDerWaalsContact O-CB 3.27Å; Y299-Y302 WeakPolarHBondContact O-CB 3.39Å; Y299-Y302 PolarHBondContact O-N 3.12Å
300	V	96.1	Very high	96.6	Very high	99 Å²	99	50.3 Å²	50.3	60%	0.6	25%	0.252	S	S	*	.	H	α-helix	trans	-55.2	-32.1	-179.9	66.4	0	0	0	0	113.1	Y302 L303 D304	V300-Y302 PolarHBondContact O-N 3.45Å; V300-L303 PolarHBondContact O-N 3.46Å; V300-D304 PolarHBondContact O-N 3.32Å; V300-D304 VanDerWaalsContact O-N 3.17Å
301	Q	97.6	Very high	96.3	Very high	92 Å²	92	51.6 Å²	51.6	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-31.7	179.1	-60.3	174.4	0.8	0	0	112.6	L286 Y299 D304 R305	L286-Q301 HydrophobicContact CD1-CB 4.06Å; Y299-Q301 PolarHBondContact O-N 3.21Å; Q301-D304 PolarHBondContact O-N 3.42Å; Q301-R305 WeakPolarHBondContact O-CB 3.49Å; Q301-R305 PolarHBondContact O-N 2.97Å
302	Y	98.4	Very high	95.8	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-54.6	177.4	172.5	-104.3	0	0	0	111.5	L143 Y196 H220 I259 I296 E297 Y299 V300 L306	L143-Y302 HydrophobicContact CD1-CE1 4.35Å; Y196-Y302 WeakPolarHBondContact OH-CE2 3.46Å; Y196-Y302 PolarHBondContact OH-OH 3.37Å; H220-Y302 AromaticContact CE1-CE2 3.82Å; H220-Y302 AromaticContact ND1-CE2 3.97Å; I259-Y302 HydrophobicContact CD1-CD2 4.09Å; I259-Y302 HydrophobicContact CD1-CE2 3.98Å; I259-Y302 HydrophobicContact CG2-CD2 4.31Å; I296-Y302 HydrophobicContact CG2-CD2 3.8Å; I296-Y302 HydrophobicContact CG2-CG 4.38Å; E297-Y302 HydrophobicContact CB-CD1 4.24Å; E297-Y302 HydrophobicContact CB-CE1 4.23Å; E297-Y302 HydrophobicContact CG-CD1 4.24Å; E297-Y302 HydrophobicContact CG-CE1 3.85Å; E297-Y302 HydrophobicContact CG-CE2 4.25Å; Y299-Y302 VanDerWaalsContact O-CB 3.27Å; Y299-Y302 WeakPolarHBondContact O-CB 3.39Å; Y299-Y302 PolarHBondContact O-N 3.12Å; V300-Y302 PolarHBondContact O-N 3.45Å; Y302-L306 HydrophobicContact CD1-CD1 4.15Å; Y302-L306 HydrophobicContact CD2-CD1 4.32Å; Y302-L306 HydrophobicContact CE1-CD1 3.61Å; Y302-L306 HydrophobicContact CE2-CD1 3.83Å; Y302-L306 HydrophobicContact CG-CD1 4.47Å; Y302-L306 VanDerWaalsContact CZ-CD1 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.31Å; Y302-L306 PolarHBondContact O-N 3.29Å; Y302-L306 VanDerWaalsContact O-N 3.13Å
303	L	97.6	Very high	95.7	Very high	34 Å²	34	59.1 Å²	59.1	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-38.3	-179.7	-72.1	174.7	0	0	0	112	L143 R146 V300 L306 R307	L143-L303 HydrophobicContact CD1-CD2 4.25Å; R146-L303 HydrophobicContact CB-CD2 4.14Å; V300-L303 PolarHBondContact O-N 3.46Å; L303-L306 PolarHBondContact O-N 3.16Å; L303-R307 WeakPolarHBondContact O-CB 3.38Å; L303-R307 VanDerWaalsContact O-CG 3.3Å; L303-R307 WeakPolarHBondContact O-CG 3.15Å; L303-R307 PolarHBondContact O-N 2.99Å
304	D	97.9	Very high	95.5	Very high	84 Å²	84	58.4 Å²	58.4	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-44	179.9	-73.1	-14.6	0	0	0	111.7	V300 Q301 R307 R308	V300-D304 PolarHBondContact O-N 3.32Å; V300-D304 VanDerWaalsContact O-N 3.17Å; Q301-D304 PolarHBondContact O-N 3.42Å; D304-R307 PolarHBondContact O-N 3.43Å; D304-R307 IonicContact OD1-NH1 3.64Å; D304-R308 WeakPolarHBondContact O-CB 3.36Å; D304-R308 PolarHBondContact O-N 3.49Å
305	R	98.4	Very high	94.8	Very high	19 Å²	19	53.9 Å²	53.9	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.9	-179.3	72.3	-167.4	96.1	-7.4	111.5	L257 E284 L286 Q301 R308 F309 E313	L257-R305 HydrophobicContact CD1-CG 4.07Å; L257-R305 HydrophobicContact CD2-CG 4.03Å; E284-R305 VanDerWaalsContact O-CZ 3.23Å; E284-R305 PolarHBondContact O-NE 2.85Å; E284-R305 PolarHBondContact O-NH2 3.23Å; L286-R305 HydrophobicContact CB-CB 4.25Å; L286-R305 HydrophobicContact CB-CG 3.87Å; L286-R305 HydrophobicContact CD2-CB 3.77Å; L286-R305 HydrophobicContact CD2-CG 4.28Å; L286-R305 HydrophobicContact CG-CB 4.41Å; Q301-R305 WeakPolarHBondContact O-CB 3.49Å; Q301-R305 PolarHBondContact O-N 2.97Å; R305-R308 PolarHBondContact O-N 3.38Å; R305-F309 WeakPolarHBondContact O-CB 3.22Å; R305-F309 PolarHBondContact O-N 2.8Å; R305-E313 IonicContact CZ-OE1 3.54Å; R305-E313 IonicContact CZ-OE2 3.2Å; R305-E313 IonicContact NH1-OE1 2.88Å; R305-E313 PolarHBondContact NH1-OE1 2.92Å; R305-E313 IonicContact NH1-OE2 3.45Å; R305-E313 PolarHBondContact NH1-OE2 2.82Å; R305-E313 IonicContact NH2-OE1 2.96Å; R305-E313 IonicContact NH2-OE2 2.79Å; R305-E313 PolarHBondContact NH2-OE2 3Å
306	L	98.2	Very high	94	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-46.7	179.6	-73.9	178.6	0	0	0	111.6	L143 I147 Y196 I218 L257 I259 Y302 L303 R308 F309 I310	L143-L306 HydrophobicContact CD1-CD1 4.07Å; I147-L306 HydrophobicContact CG2-CB 4.12Å; I147-L306 HydrophobicContact CG2-CD1 4.47Å; Y196-L306 HydrophobicContact CE2-CD2 4.23Å; I218-L306 HydrophobicContact CD1-CD2 3.79Å; I218-L306 HydrophobicContact CG2-CD2 4.27Å; L257-L306 HydrophobicContact CD2-CD2 4.12Å; I259-L306 HydrophobicContact CD1-CD2 3.91Å; I259-L306 HydrophobicContact CD1-CG 4.34Å; Y302-L306 HydrophobicContact CD1-CD1 4.15Å; Y302-L306 HydrophobicContact CD2-CD1 4.32Å; Y302-L306 HydrophobicContact CE1-CD1 3.61Å; Y302-L306 HydrophobicContact CE2-CD1 3.83Å; Y302-L306 HydrophobicContact CG-CD1 4.47Å; Y302-L306 VanDerWaalsContact CZ-CD1 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.31Å; Y302-L306 PolarHBondContact O-N 3.29Å; Y302-L306 VanDerWaalsContact O-N 3.13Å; L303-L306 PolarHBondContact O-N 3.16Å; L306-R308 VanDerWaalsContact C-N 3.34Å; L306-R308 PolarHBondContact O-N 2.83Å; L306-F309 PolarHBondContact O-N 2.88Å; L306-I310 WeakPolarHBondContact O-CB 3.46Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.08Å
307	R	96.5	Very high	92.7	Very high	106 Å²	106	60 Å²	60	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.8	-75.7	171.9	177	151.2	-2.3	112.3	R146 L303 D304 G311	R146-R307 PolarHBondContact O-NE 2.97Å; R146-R307 PolarHBondContact O-NH2 2.81Å; L303-R307 WeakPolarHBondContact O-CB 3.38Å; L303-R307 VanDerWaalsContact O-CG 3.3Å; L303-R307 WeakPolarHBondContact O-CG 3.15Å; L303-R307 PolarHBondContact O-N 2.99Å; D304-R307 PolarHBondContact O-N 3.43Å; D304-R307 IonicContact OD1-NH1 3.64Å; R307-G311 WeakPolarHBondContact O-CA 3.39Å; R307-G311 PolarHBondContact O-N 3.3Å
308	R	97.1	Very high	91.1	Very high	116 Å²	116	61.7 Å²	61.7	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.5	179.6	176.8	167.3	166.6	-6.8	111.2	E284 D304 R305 L306 Q312 E313	E284-R308 IonicContact OE2-CZ 3.99Å; E284-R308 IonicContact OE2-NH2 2.93Å; E284-R308 PolarHBondContact OE2-NH2 3.27Å; D304-R308 WeakPolarHBondContact O-CB 3.36Å; D304-R308 PolarHBondContact O-N 3.49Å; R305-R308 PolarHBondContact O-N 3.38Å; L306-R308 VanDerWaalsContact C-N 3.34Å; L306-R308 PolarHBondContact O-N 2.83Å; R308-Q312 WeakPolarHBondContact O-CA 3.3Å; R308-Q312 VanDerWaalsContact O-CB 3.27Å; R308-Q312 WeakPolarHBondContact O-CB 3.4Å; R308-Q312 PolarHBondContact O-N 3.42Å; R308-Q312 VanDerWaalsContact O-N 3.09Å; R308-E313 WeakPolarHBondContact CG-OE1 3.48Å; R308-E313 IonicContact CZ-OE1 3.99Å; R308-E313 IonicContact NE-OE1 3.09Å; R308-E313 PolarHBondContact NE-OE1 2.78Å; R308-E313 VanDerWaalsContact NE-OE1 3.09Å; R308-E313 PolarHBondContact O-N 3.06Å; R308-E313 VanDerWaalsContact O-N 3.08Å
309	F	97.7	Very high	89.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-59.4	-53.8	179.5	-176.1	-137.5	0	0	0	111.2	A216 I218 P255 L257 V283 R305 L306 E313 L314	A216-F309 HydrophobicContact CB-CE1 3.72Å; A216-F309 HydrophobicContact CB-CZ 3.59Å; I218-F309 HydrophobicContact CD1-CD1 4.13Å; I218-F309 HydrophobicContact CD1-CE1 4.23Å; I218-F309 HydrophobicContact CG1-CD1 4.06Å; I218-F309 HydrophobicContact CG1-CE1 3.77Å; P255-F309 HydrophobicContact CB-CE2 4.25Å; P255-F309 HydrophobicContact CB-CZ 4.17Å; L257-F309 HydrophobicContact CB-CD1 3.84Å; L257-F309 HydrophobicContact CB-CE1 3.65Å; L257-F309 HydrophobicContact CB-CG 4.34Å; L257-F309 HydrophobicContact CB-CZ 4.02Å; L257-F309 HydrophobicContact CD2-CB 4.05Å; L257-F309 HydrophobicContact CD2-CD1 3.66Å; L257-F309 HydrophobicContact CD2-CE1 4.33Å; L257-F309 HydrophobicContact CD2-CG 3.99Å; L257-F309 HydrophobicContact CG-CD1 4.39Å; V283-F309 HydrophobicContact CB-CE2 4.3Å; V283-F309 HydrophobicContact CG1-CE2 3.93Å; V283-F309 HydrophobicContact CG2-CD2 3.91Å; V283-F309 HydrophobicContact CG2-CE2 3.59Å; V283-F309 HydrophobicContact CG2-CZ 4.14Å; R305-F309 WeakPolarHBondContact O-CB 3.22Å; R305-F309 PolarHBondContact O-N 2.8Å; L306-F309 PolarHBondContact O-N 2.88Å; F309-E313 HydrophobicContact CD2-CB 4.21Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.39Å; F309-E313 WeakPolarHBondContact O-CB 3.48Å; F309-E313 PolarHBondContact O-N 3.47Å; F309-L314 HydrophobicContact CD1-CD1 4.31Å; F309-L314 HydrophobicContact CD2-CD2 4.45Å; F309-L314 HydrophobicContact CD2-CG 4.17Å; F309-L314 HydrophobicContact CE1-CD1 4.02Å; F309-L314 HydrophobicContact CE1-CG 4.49Å; F309-L314 HydrophobicContact CE2-CD1 4.33Å; F309-L314 HydrophobicContact CE2-CD2 3.75Å; F309-L314 HydrophobicContact CE2-CG 3.92Å; F309-L314 HydrophobicContact CZ-CD1 4.05Å; F309-L314 HydrophobicContact CZ-CD2 3.91Å; F309-L314 HydrophobicContact CZ-CG 4.12Å; F309-L314 WeakPolarHBondContact O-CG 3.4Å; F309-L314 PolarHBondContact O-N 3.17Å
310	I	95.6	Very high	88.6	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.34	C	S	.	.	I	π-helix	trans	-76.1	-49.1	-171.9	-61.2	174.9	0	0	0	111.5	F121 I147 I194 I218 L306	F121-I310 HydrophobicContact CD2-CG2 3.86Å; F121-I310 HydrophobicContact CE2-CG2 4.39Å; I147-I310 HydrophobicContact CB-CD1 4.4Å; I147-I310 HydrophobicContact CD1-CD1 3.87Å; I194-I310 HydrophobicContact CD1-CD1 4.07Å; I194-I310 HydrophobicContact CD1-CG1 3.93Å; I194-I310 HydrophobicContact CD1-CG2 4.01Å; I218-I310 HydrophobicContact CD1-CD1 4.34Å; L306-I310 WeakPolarHBondContact O-CB 3.46Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.08Å
311	G	90.8	Very high	88.2	Confident	51 Å²	51	60.3 Å²	60.3	53%	0.526	33%	0.327	S	S	.	.	I	π-helix	trans	-81.8	-20.1	-171.8	0	0	0	0	0	114.6	R307 A315	R307-G311 WeakPolarHBondContact O-CA 3.39Å; R307-G311 PolarHBondContact O-N 3.3Å; G311-A315 WeakPolarHBondContact O-CB 3.49Å
312	Q	88.4	Confident	87.7	Confident	129 Å²	129	58.6 Å²	58.6	60%	0.603	32%	0.321	S	S	*	.	I	π-helix	trans	-120.3	-56.8	-176.2	-52.1	176.2	-0.6	0	0	111.4	R308 A316	R308-Q312 WeakPolarHBondContact O-CA 3.3Å; R308-Q312 VanDerWaalsContact O-CB 3.27Å; R308-Q312 WeakPolarHBondContact O-CB 3.4Å; R308-Q312 PolarHBondContact O-N 3.42Å; R308-Q312 VanDerWaalsContact O-N 3.09Å; Q312-A316 WeakPolarHBondContact O-CB 3.34Å; Q312-A316 PolarHBondContact O-N 3.4Å; Q312-A316 VanDerWaalsContact O-N 3.15Å
313	E	92.4	Very high	87.1	Confident	41 Å²	41	61.8 Å²	61.8	19%	0.192	34%	0.339	C	S	.	.	I	π-helix	trans	-71.2	-45.9	-172.7	-66.7	164.8	-161.1	0	0	112.2	R305 R308 F309 Q317	R305-E313 IonicContact CZ-OE1 3.54Å; R305-E313 IonicContact CZ-OE2 3.2Å; R305-E313 IonicContact NH1-OE1 2.88Å; R305-E313 PolarHBondContact NH1-OE1 2.92Å; R305-E313 IonicContact NH1-OE2 3.45Å; R305-E313 PolarHBondContact NH1-OE2 2.82Å; R305-E313 IonicContact NH2-OE1 2.96Å; R305-E313 IonicContact NH2-OE2 2.79Å; R305-E313 PolarHBondContact NH2-OE2 3Å; R308-E313 WeakPolarHBondContact CG-OE1 3.48Å; R308-E313 IonicContact CZ-OE1 3.99Å; R308-E313 IonicContact NE-OE1 3.09Å; R308-E313 PolarHBondContact NE-OE1 2.78Å; R308-E313 VanDerWaalsContact NE-OE1 3.09Å; R308-E313 PolarHBondContact O-N 3.06Å; R308-E313 VanDerWaalsContact O-N 3.08Å; F309-E313 HydrophobicContact CD2-CB 4.21Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.39Å; F309-E313 WeakPolarHBondContact O-CB 3.48Å; F309-E313 PolarHBondContact O-N 3.47Å; E313-Q317 WeakPolarHBondContact O-CG 3.34Å; E313-Q317 PolarHBondContact O-NE2 3.37Å
314	L	91.2	Very high	86.4	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	35%	0.349	C	S	.	.	I	π-helix	trans	-76.5	-40	178.3	-64.9	-178.8	0	0	0	112.8	F121 I194 A216 P255 F309 A316 Q317	F121-L314 HydrophobicContact CE2-CB 4.42Å; F121-L314 HydrophobicContact CZ-CB 4.2Å; I194-L314 HydrophobicContact CD1-CD1 4.01Å; I194-L314 HydrophobicContact CG1-CD1 4.36Å; A216-L314 HydrophobicContact CB-CD1 3.4Å; A216-L314 VanDerWaalsContact CB-CD1 3.4Å; A216-L314 HydrophobicContact CB-CD2 3.84Å; A216-L314 HydrophobicContact CB-CG 4.25Å; P255-L314 HydrophobicContact CB-CD2 4.1Å; P255-L314 HydrophobicContact CG-CD2 4.04Å; F309-L314 HydrophobicContact CD1-CD1 4.31Å; F309-L314 HydrophobicContact CD2-CD2 4.45Å; F309-L314 HydrophobicContact CD2-CG 4.17Å; F309-L314 HydrophobicContact CE1-CD1 4.02Å; F309-L314 HydrophobicContact CE1-CG 4.49Å; F309-L314 HydrophobicContact CE2-CD1 4.33Å; F309-L314 HydrophobicContact CE2-CD2 3.75Å; F309-L314 HydrophobicContact CE2-CG 3.92Å; F309-L314 HydrophobicContact CZ-CD1 4.05Å; F309-L314 HydrophobicContact CZ-CD2 3.91Å; F309-L314 HydrophobicContact CZ-CG 4.12Å; F309-L314 WeakPolarHBondContact O-CG 3.4Å; F309-L314 PolarHBondContact O-N 3.17Å; L314-A316 VanDerWaalsContact C-N 3.25Å; L314-A316 PolarHBondContact O-N 3.42Å; L314-Q317 PolarHBondContact O-N 3.06Å
315	A	79.1	Confident	85.7	Confident	29 Å²	29	62.2 Å²	62.2	24%	0.24	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-36	178.7	0	0	0	0	0	111.9	G311 H318	G311-A315 WeakPolarHBondContact O-CB 3.49Å; A315-H318 CarbonylContact O-C 3.51Å; A315-H318 PolarHBondContact O-N 2.85Å
316	A	76.5	Confident	84.8	Confident	78 Å²	78	65.3 Å²	65.3	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-71.1	-27.7	178	0	0	0	0	0	114.1	Q312 L314 H318	Q312-A316 WeakPolarHBondContact O-CB 3.34Å; Q312-A316 PolarHBondContact O-N 3.4Å; Q312-A316 VanDerWaalsContact O-N 3.15Å; L314-A316 VanDerWaalsContact C-N 3.25Å; L314-A316 PolarHBondContact O-N 3.42Å; A316-H318 PolarHBondContact O-N 3.25Å
317	Q	70.4	Confident	83.7	Confident	103 Å²	103	70.2 Å²	70.2	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-75.5	-16.8	179.1	-70.7	175.2	34.8	0	0	112.9	E313 L314	E313-Q317 WeakPolarHBondContact O-CG 3.34Å; E313-Q317 PolarHBondContact O-NE2 3.37Å; L314-Q317 PolarHBondContact O-N 3.06Å
318	H	61.6	Low	82.7	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.366	39%	0.388	S	S	.	.			trans	-142.7	70.8	-173.1	-67.4	-76	0	0	0	108.6	R120 A315 A316	R120-H318 PolarHBondContact NH1-O 3.46Å; R120-H318 PolarHBondContact NH2-O 3.38Å; A315-H318 CarbonylContact O-C 3.51Å; A315-H318 PolarHBondContact O-N 2.85Å; A316-H318 PolarHBondContact O-N 3.25Å
319	P	51.3	Low	81.4	Confident	176 Å²	176	62.8 Å²	62.8	100%	1.143	38%	0.384	S	S	*	.			trans	-61.8	0	-171.9	23.9	-33.4	0	0	0	114.7

Retrieved 319 of 319 residues in 167.8 ms (Link to these results)

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