A0A077ZIJ9_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 680 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	36	Very low	72.3	Confident	228 Å²	228	148.8 Å²	148.8	100%	1.123	72%	0.716	S	S	*	*				0	110.8	0	-87.7	176.9	170.5	0	0	109.8	R3	M1-R3 PolarHBondContact O-N 2.73Å
2	R	41.9	Very low	73.9	Confident	249 Å²	249	140.5 Å²	140.5	94%	0.94	69%	0.685	S	S	*	*			trans	-71.8	93.6	169.4	-80	-179.6	169.9	176.7	-3.9	108.4	R4	R2-R4 PolarHBondContact O-N 3.11Å
3	R	54.1	Low	75	Confident	239 Å²	239	135.7 Å²	135.7	90%	0.902	67%	0.669	S	S	*	*			trans	-65.3	101.3	174.7	-69.1	-173.7	-179.2	-177	1.6	108.3	M1 G5	M1-R3 PolarHBondContact O-N 2.73Å; R3-G5 PolarHBondContact O-N 2.85Å
4	R	63	Low	75.8	Confident	242 Å²	242	131.9 Å²	131.9	91%	0.913	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-71.6	118.3	169.6	-73.6	-176.4	-180	-174.8	-0.4	107.6	R2	R2-R4 PolarHBondContact O-N 3.11Å
5	G	69.8	Low	76.4	Confident	77 Å²	77	128.9 Å²	128.9	79%	0.794	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-69	161.1	173	0	0	0	0	0	112.4	R3	R3-G5 PolarHBondContact O-N 2.85Å
6	A	79.6	Confident	76.8	Confident	55 Å²	55	122.4 Å²	122.4	46%	0.455	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-82.8	126.4	172.8	0	0	0	0	0	110.5	L38	A6-L38 HydrophobicContact CB-CD2 4.19Å
7	K	84.1	Confident	76.7	Confident	206 Å²	206	115.2 Å²	115.2	90%	0.896	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-91.7	121.8	173.1	-171.8	176.2	-179	178.7	0	109.3
8	V	88.7	Confident	76.5	Confident	33 Å²	33	109.8 Å²	109.8	20%	0.2	54%	0.543	C	S	.	.			trans	-130.2	141.9	177.9	-176.5	0	0	0	0	109.6	L34 R36 L38	V8-L34 HydrophobicContact CG1-CB 4.07Å; V8-R36 HydrophobicContact CG1-CG 3.8Å; V8-L38 HydrophobicContact CG2-CD2 3.63Å; V8-L38 HydrophobicContact CG2-CG 4.26Å
9	K	93.4	Very high	75.9	Confident	156 Å²	156	107.1 Å²	107.1	68%	0.678	53%	0.534	S	S	*	.			trans	-75.3	145.2	175.8	-70	-179.4	176.7	-178.4	0	110.6	Q35	K9-Q35 HydrophobicContact CB-CB 4.19Å; K9-Q35 VanDerWaalsContact CB-OE1 3.28Å; K9-Q35 VanDerWaalsContact CD-OE1 3.29Å; K9-Q35 WeakPolarHBondContact O-CB 3.46Å; K9-Q35 PolarHBondContact O-N 3.46Å
10	I	91.7	Very high	75.3	Confident	89 Å²	89	104.7 Å²	104.7	46%	0.456	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.6	173.9	-60.5	169.1	0	0	0	107.8	S12 V13 L32	I10-S12 VanDerWaalsContact CG2-O 3.31Å; I10-S12 WeakPolarHBondContact CG2-O 3Å; I10-V13 HydrophobicContact CG2-CG2 3.79Å; I10-L32 HydrophobicContact CD1-CD1 4.14Å; I10-L32 HydrophobicContact CG2-CB 4.48Å
11	A	93.5	Very high	74.4	Confident	63 Å²	63	103.9 Å²	103.9	52%	0.521	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-41.1	175.9	0	0	0	0	0	112	K33 Q35	A11-K33 HydrophobicContact CB-CG 4.5Å; A11-K33 PolarHBondContact N-O 2.87Å; A11-Q35 HydrophobicContact CB-CB 4.41Å
12	S	91.5	Very high	75.5	Confident	49 Å²	49	100 Å²	100	34%	0.343	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156.5	175.8	62.5	0	0	0	0	111.9	I10 K33	I10-S12 VanDerWaalsContact CG2-O 3.31Å; I10-S12 WeakPolarHBondContact CG2-O 3Å; S12-K33 PolarHBondContact N-O 3.47Å; S12-K33 PolarHBondContact O-N 2.62Å; S12-K33 WeakPolarHBondContact OG-CB 3.38Å
13	V	88.2	Confident	76.2	Confident	78 Å²	78	98.2 Å²	98.2	47%	0.473	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.7	177.5	-179.9	0	0	0	0	108	I10 L15 L32	I10-V13 HydrophobicContact CG2-CG2 3.79Å; V13-L15 HydrophobicContact CG1-CD2 4.03Å; V13-L15 HydrophobicContact CG1-CG 4.34Å; V13-L32 HydrophobicContact CB-CD2 4.06Å; V13-L32 HydrophobicContact CG1-CD2 3.68Å; V13-L32 HydrophobicContact CG2-CD2 3.64Å
14	L	85.7	Confident	76.6	Confident	82 Å²	82	95 Å²	95	43%	0.429	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.7	175.6	-62.2	172.1	0	0	0	108.8	Y16 A30 I31	L14-Y16 HydrophobicContact CB-CE2 3.61Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.01Å; L14-A30 CarbonylContact O-C 3.6Å; L14-A30 VanDerWaalsContact O-CA 3.3Å; L14-A30 WeakPolarHBondContact O-CA 3.4Å; L14-I31 PolarHBondContact N-O 2.68Å; L14-I31 PolarHBondContact O-N 3.24Å
15	L	85.1	Confident	76.6	Confident	87 Å²	87	87 Å²	87	46%	0.455	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.7	-178.1	-61.4	178.6	0	0	0	110	V13 A30 T168 L169	V13-L15 HydrophobicContact CG1-CD2 4.03Å; V13-L15 HydrophobicContact CG1-CG 4.34Å; L15-A30 HydrophobicContact CD2-CB 3.57Å; L15-T168 WeakPolarHBondContact O-CA 3.23Å; L15-L169 HydrophobicContact CB-CD1 4.44Å; L15-L169 PolarHBondContact O-N 3.19Å
16	Y	82.6	Confident	76.7	Confident	25 Å²	25	87.9 Å²	87.9	10%	0.098	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.7	175.9	-59.7	-78.6	0	0	0	109.7	L14 G28 V29 I31 V160 V166 T168	L14-Y16 HydrophobicContact CB-CE2 3.61Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.01Å; Y16-G28 CarbonylContact O-C 3.49Å; Y16-G28 VanDerWaalsContact O-C 3.3Å; Y16-G28 WeakPolarHBondContact O-CA 3.28Å; Y16-G28 PolarHBondContact O-N 3.24Å; Y16-V29 WeakPolarHBondContact CB-O 3.46Å; Y16-V29 PolarHBondContact N-O 2.95Å; Y16-V29 PolarHBondContact O-N 3.48Å; Y16-V29 VanDerWaalsContact O-N 3.08Å; Y16-I31 HydrophobicContact CD2-CD1 4.07Å; Y16-I31 HydrophobicContact CD2-CG1 4.08Å; Y16-I31 HydrophobicContact CE2-CB 4.13Å; Y16-I31 HydrophobicContact CE2-CD1 3.7Å; Y16-I31 HydrophobicContact CE2-CG1 3.9Å; Y16-V160 HydrophobicContact CD1-CG2 3.68Å; Y16-V160 HydrophobicContact CD2-CG2 3.92Å; Y16-V160 HydrophobicContact CE1-CB 4.47Å; Y16-V160 HydrophobicContact CE1-CG1 4.28Å; Y16-V160 HydrophobicContact CE1-CG2 3.37Å; Y16-V160 HydrophobicContact CE2-CB 4.4Å; Y16-V160 HydrophobicContact CE2-CG1 3.95Å; Y16-V160 HydrophobicContact CE2-CG2 3.63Å; Y16-V160 HydrophobicContact CG-CG2 3.93Å; Y16-V160 WeakPolarHBondContact OH-CG1 3.35Å; Y16-V166 HydrophobicContact CD1-CB 3.85Å; Y16-V166 HydrophobicContact CD1-CG1 3.72Å; Y16-V166 HydrophobicContact CE1-CB 4.26Å; Y16-V166 HydrophobicContact CG-CG1 4.31Å; Y16-T168 HydrophobicContact CD1-CG2 4.05Å; Y16-T168 HydrophobicContact CE1-CG2 3.97Å
17	G	75.1	Confident	76.3	Confident	0 Å²	0	89 Å²	89	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	153.8	-177.4	0	0	0	0	0	112.5	R26 P167	G17-R26 CarbonylContact C-O 3.54Å; G17-R26 WeakPolarHBondContact CA-O 3.48Å; G17-P167 PolarHBondContact N-O 3Å
18	L	72.4	Confident	76.2	Confident	18 Å²	18	79.8 Å²	79.8	9%	0.094	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.5	172	-67.4	176	0	0	0	110	W20 I25 R26 F98 L133 I156	L18-W20 PolarHBondContact O-N 3.12Å; L18-I25 WeakPolarHBondContact O-CA 3.24Å; L18-R26 PolarHBondContact N-O 3.23Å; L18-R26 PolarHBondContact O-N 3.42Å; L18-F98 HydrophobicContact CB-CD2 4.43Å; L18-F98 HydrophobicContact CB-CE2 4.46Å; L18-F98 HydrophobicContact CD1-CD2 4.28Å; L18-F98 HydrophobicContact CD1-CE2 3.67Å; L18-L133 HydrophobicContact CD1-CD1 3.37Å; L18-I156 HydrophobicContact CD2-CD1 4.27Å
19	P	66.4	Low	76.2	Confident	59 Å²	59	78.6 Å²	78.6	38%	0.383	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	124.8	167.5	-19.8	30.8	0	0	0	109.7
20	W	62.3	Low	76	Confident	58 Å²	58	73.6 Å²	73.6	22%	0.22	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.6	176.7	-169.2	-84.9	0	0	0	108.7	L18 R24 R26 F98	L18-W20 PolarHBondContact O-N 3.12Å; W20-R24 CarbonylContact C-O 3.48Å; W20-R24 VanDerWaalsContact CA-O 3.31Å; W20-R24 WeakPolarHBondContact CA-O 2.99Å; W20-R24 VanDerWaalsContact CB-O 3.32Å; W20-R24 WeakPolarHBondContact CB-O 3.16Å; W20-R24 PolarHBondContact N-O 3.17Å; W20-R24 PolarHBondContact O-N 3.29Å; W20-R26 HydrophobicContact CB-CB 4.44Å; W20-R26 HydrophobicContact CB-CG 3.77Å; W20-R26 VanDerWaalsContact CD2-CD 3.47Å; W20-R26 HydrophobicContact CD2-CG 4.21Å; W20-R26 VanDerWaalsContact CE2-NE 3.3Å; W20-R26 VanDerWaalsContact CE2-NH2 3.31Å; W20-R26 HydrophobicContact CG-CG 3.87Å; W20-R26 VanDerWaalsContact CG-NE 3.27Å; W20-R26 VanDerWaalsContact NE1-NH2 3.2Å; W20-F98 AromaticContact CE3-CD2 3.88Å; W20-F98 HydrophobicContact CE3-CD2 3.88Å; W20-F98 HydrophobicContact CE3-CE2 4.03Å; W20-F98 HydrophobicContact CE3-CG 4.16Å; W20-F98 HydrophobicContact CE3-CZ 4.44Å; W20-F98 HydrophobicContact CZ3-CD1 4.07Å; W20-F98 AromaticContact CZ3-CD2 3.93Å; W20-F98 HydrophobicContact CZ3-CD2 3.93Å; W20-F98 AromaticContact CZ3-CE1 3.98Å; W20-F98 HydrophobicContact CZ3-CE1 3.98Å; W20-F98 AromaticContact CZ3-CE2 3.82Å; W20-F98 HydrophobicContact CZ3-CE2 3.82Å; W20-F98 AromaticContact CZ3-CG 3.97Å; W20-F98 HydrophobicContact CZ3-CG 3.97Å; W20-F98 AromaticContact CZ3-CZ 3.77Å; W20-F98 HydrophobicContact CZ3-CZ 3.77Å
21	E	57.9	Low	75.9	Confident	89 Å²	89	70.9 Å²	70.9	42%	0.416	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-29.2	138	-179.9	-68.5	178.5	153.4	0	0	114.7	P96	E21-P96 HydrophobicContact CG-CB 3.74Å; E21-P96 HydrophobicContact CG-CG 4.21Å
22	N	58.3	Low	75.8	Confident	145 Å²	145	72.2 Å²	72.2	78%	0.775	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	40.6	-178.1	-54.7	-24.3	0	0	0	114.9	R24	N22-R24 PolarHBondContact O-N 3.35Å; N22-R24 VanDerWaalsContact O-N 3.11Å
23	K	57.3	Low	75.7	Confident	212 Å²	212	76.7 Å²	76.7	92%	0.922	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	21.5	-179.4	-56.3	-179.5	178.1	179.9	0	113.7
24	R	61.1	Low	75.9	Confident	173 Å²	173	76.1 Å²	76.1	65%	0.653	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	140.3	177.6	-68	-173.7	178.1	-171.1	-0.3	109.1	W20 N22	W20-R24 CarbonylContact C-O 3.48Å; W20-R24 VanDerWaalsContact CA-O 3.31Å; W20-R24 WeakPolarHBondContact CA-O 2.99Å; W20-R24 VanDerWaalsContact CB-O 3.32Å; W20-R24 WeakPolarHBondContact CB-O 3.16Å; W20-R24 PolarHBondContact N-O 3.17Å; W20-R24 PolarHBondContact O-N 3.29Å; N22-R24 PolarHBondContact O-N 3.35Å; N22-R24 VanDerWaalsContact O-N 3.11Å
25	I	64.6	Low	76.3	Confident	72 Å²	72	78.5 Å²	78.5	37%	0.369	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.9	175.7	-61.8	171.9	0	0	0	107.9	L18 P167 L169	L18-I25 WeakPolarHBondContact O-CA 3.24Å; I25-P167 HydrophobicContact CD1-CB 3.74Å; I25-P167 HydrophobicContact CG1-CB 4.42Å; I25-L169 HydrophobicContact CG2-CD2 4.25Å; I25-L169 HydrophobicContact CG2-CG 3.99Å
26	R	70.7	Confident	76.6	Confident	97 Å²	97	79.3 Å²	79.3	37%	0.366	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	160	171.9	-73.3	-168	-177.8	-155.7	0.7	111	G17 L18 W20 G28	G17-R26 CarbonylContact C-O 3.54Å; G17-R26 WeakPolarHBondContact CA-O 3.48Å; L18-R26 PolarHBondContact N-O 3.23Å; L18-R26 PolarHBondContact O-N 3.42Å; W20-R26 HydrophobicContact CB-CB 4.44Å; W20-R26 HydrophobicContact CB-CG 3.77Å; W20-R26 VanDerWaalsContact CD2-CD 3.47Å; W20-R26 HydrophobicContact CD2-CG 4.21Å; W20-R26 VanDerWaalsContact CE2-NE 3.3Å; W20-R26 VanDerWaalsContact CE2-NH2 3.31Å; W20-R26 HydrophobicContact CG-CG 3.87Å; W20-R26 VanDerWaalsContact CG-NE 3.27Å; W20-R26 VanDerWaalsContact NE1-NH2 3.2Å; R26-G28 PolarHBondContact O-N 3.25Å; R26-G28 VanDerWaalsContact O-N 3.11Å
27	A	72.3	Confident	77	Confident	77 Å²	77	82.9 Å²	82.9	64%	0.636	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	117.6	169.6	0	0	0	0	0	110.2
28	G	81.7	Confident	77.7	Confident	14 Å²	14	85.5 Å²	85.5	14%	0.144	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-124.5	176.7	0	0	0	0	0	110.8	Y16 R26 L133	Y16-G28 CarbonylContact O-C 3.49Å; Y16-G28 VanDerWaalsContact O-C 3.3Å; Y16-G28 WeakPolarHBondContact O-CA 3.28Å; Y16-G28 PolarHBondContact O-N 3.24Å; R26-G28 PolarHBondContact O-N 3.25Å; R26-G28 VanDerWaalsContact O-N 3.11Å; G28-L133 WeakPolarHBondContact O-CD2 3.2Å
29	V	88.1	Confident	78.4	Confident	7 Å²	7	88.9 Å²	88.9	4%	0.042	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.3	-177.4	179.1	0	0	0	0	110.3	Y16 I31 V131 I156 V157	Y16-V29 WeakPolarHBondContact CB-O 3.46Å; Y16-V29 PolarHBondContact N-O 2.95Å; Y16-V29 PolarHBondContact O-N 3.48Å; Y16-V29 VanDerWaalsContact O-N 3.08Å; V29-I31 HydrophobicContact CG1-CG1 4.48Å; V29-V131 HydrophobicContact CG1-CG2 4.22Å; V29-V131 HydrophobicContact CG2-CB 4.15Å; V29-V131 HydrophobicContact CG2-CG2 4.21Å; V29-I156 HydrophobicContact CB-CG2 3.92Å; V29-I156 HydrophobicContact CG2-CG2 3.68Å; V29-V157 HydrophobicContact CG1-CG2 4.19Å
30	A	89.1	Confident	79.3	Confident	51 Å²	51	96 Å²	96	42%	0.421	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	169.8	0	0	0	0	0	110	L14 L15	L14-A30 CarbonylContact O-C 3.6Å; L14-A30 VanDerWaalsContact O-CA 3.3Å; L14-A30 WeakPolarHBondContact O-CA 3.4Å; L15-A30 HydrophobicContact CD2-CB 3.57Å
31	I	89.5	Confident	80.5	Confident	32 Å²	32	101.3 Å²	101.3	16%	0.164	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	173.1	-58.8	-178.6	0	0	0	108.4	L14 Y16 V29 V157 V160 F161	L14-I31 PolarHBondContact N-O 2.68Å; L14-I31 PolarHBondContact O-N 3.24Å; Y16-I31 HydrophobicContact CD2-CD1 4.07Å; Y16-I31 HydrophobicContact CD2-CG1 4.08Å; Y16-I31 HydrophobicContact CE2-CB 4.13Å; Y16-I31 HydrophobicContact CE2-CD1 3.7Å; Y16-I31 HydrophobicContact CE2-CG1 3.9Å; V29-I31 HydrophobicContact CG1-CG1 4.48Å; I31-V157 HydrophobicContact CD1-CG1 4.22Å; I31-V157 HydrophobicContact CD1-CG2 4.3Å; I31-V160 HydrophobicContact CD1-CB 4.01Å; I31-V160 HydrophobicContact CD1-CG1 3.81Å; I31-V160 HydrophobicContact CD1-CG2 4.2Å; I31-F161 HydrophobicContact CD1-CE1 4.33Å; I31-F161 HydrophobicContact CG2-CE1 4.41Å
32	L	91	Very high	81.8	Confident	91 Å²	91	98.7 Å²	98.7	48%	0.476	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.2	-178.5	-51.9	179.2	0	0	0	109.4	I10 V13	I10-L32 HydrophobicContact CD1-CD1 4.14Å; I10-L32 HydrophobicContact CG2-CB 4.48Å; V13-L32 HydrophobicContact CB-CD2 4.06Å; V13-L32 HydrophobicContact CG1-CD2 3.68Å; V13-L32 HydrophobicContact CG2-CD2 3.64Å
33	K	90.4	Very high	83	Confident	143 Å²	143	99.1 Å²	99.1	62%	0.622	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.6	171.4	-171.6	174.7	-179.2	177	0	108.9	A11 S12	A11-K33 HydrophobicContact CB-CG 4.5Å; A11-K33 PolarHBondContact N-O 2.87Å; S12-K33 PolarHBondContact N-O 3.47Å; S12-K33 PolarHBondContact O-N 2.62Å; S12-K33 WeakPolarHBondContact OG-CB 3.38Å
34	L	92.9	Very high	84.2	Confident	66 Å²	66	91.6 Å²	91.6	35%	0.346	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.6	176.1	-57.2	-177.5	0	0	0	110.9	V8 R36 L38	V8-L34 HydrophobicContact CG1-CB 4.07Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 WeakPolarHBondContact CB-O 3.45Å; L34-R36 PolarHBondContact O-N 3.49Å; L34-L38 HydrophobicContact CD1-CD1 3.63Å; L34-L38 HydrophobicContact CD1-CG 4.01Å
35	Q	93.1	Very high	85.3	Confident	133 Å²	133	89.2 Å²	89.2	62%	0.621	46%	0.458	S	S	*	.	S	Bend	trans	-65.6	-30.6	178.3	-171.1	176	10.8	0	0	112.7	K9 A11	K9-Q35 HydrophobicContact CB-CB 4.19Å; K9-Q35 VanDerWaalsContact CB-OE1 3.28Å; K9-Q35 VanDerWaalsContact CD-OE1 3.29Å; K9-Q35 WeakPolarHBondContact O-CB 3.46Å; K9-Q35 PolarHBondContact O-N 3.46Å; A11-Q35 HydrophobicContact CB-CB 4.41Å
36	R	92.9	Very high	86.5	Confident	103 Å²	103	90.5 Å²	90.5	39%	0.389	47%	0.471	S	S	.	.	S	Bend	trans	-129.5	146.1	169.3	68.6	174.2	-170.4	88.7	-12.1	109.6	V8 L34 D42	V8-R36 HydrophobicContact CG1-CG 3.8Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 WeakPolarHBondContact CB-O 3.45Å; L34-R36 PolarHBondContact O-N 3.49Å; R36-D42 IonicContact CZ-OD1 2.91Å; R36-D42 IonicContact NH1-OD1 3.14Å; R36-D42 PolarHBondContact NH1-OD1 3.11Å; R36-D42 VanDerWaalsContact NH1-OD1 3.16Å; R36-D42 IonicContact NH1-OD2 2.73Å; R36-D42 PolarHBondContact NH1-OD2 2.86Å; R36-D42 VanDerWaalsContact NH1-OD2 3.14Å; R36-D42 IonicContact NH2-OD1 3.16Å; R36-D42 PolarHBondContact NH2-OD1 3.39Å
37	P	90	Very high	87.5	Confident	100 Å²	100	88.8 Å²	88.8	65%	0.649	47%	0.471	S	S	*	.			trans	-64	148.7	169.9	28.2	-33.7	0	0	0	110.5
38	L	89.8	Confident	88.6	Confident	56 Å²	56	87.7 Å²	87.7	29%	0.293	46%	0.458	S	S	.	.			trans	-92.4	136	168.3	-71.8	166.7	0	0	0	108.4	A6 V8 L34 D42 V44	A6-L38 HydrophobicContact CB-CD2 4.19Å; V8-L38 HydrophobicContact CG2-CD2 3.63Å; V8-L38 HydrophobicContact CG2-CG 4.26Å; L34-L38 HydrophobicContact CD1-CD1 3.63Å; L34-L38 HydrophobicContact CD1-CG 4.01Å; L38-D42 HydrophobicContact CD2-CB 3.95Å; L38-V44 HydrophobicContact CB-CB 4.27Å; L38-V44 HydrophobicContact CB-CG1 4.31Å; L38-V44 HydrophobicContact CB-CG2 4.22Å; L38-V44 HydrophobicContact CD1-CG2 4.16Å; L38-V44 HydrophobicContact CD2-CG2 4.38Å; L38-V44 HydrophobicContact CG-CG2 4.49Å
39	L	88	Confident	89.3	Confident	89 Å²	89	89.7 Å²	89.7	47%	0.466	47%	0.465	S	S	.	.			trans	-115.4	166.4	-177.7	-65.1	171.9	0	0	0	109.8	K41 D42	L39-K41 HydrophobicContact CB-CG 3.88Å; L39-K41 HydrophobicContact CD1-CD 4.41Å; L39-K41 PolarHBondContact O-N 3.19Å; L39-K41 VanDerWaalsContact O-N 3.14Å; L39-D42 PolarHBondContact N-OD2 3.02Å; L39-D42 WeakPolarHBondContact O-CA 3.29Å; L39-D42 VanDerWaalsContact O-CB 3.28Å; L39-D42 WeakPolarHBondContact O-CB 3.18Å; L39-D42 PolarHBondContact O-N 2.88Å
40	R	85.5	Confident	89.6	Confident	207 Å²	207	89.4 Å²	89.4	78%	0.781	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-56.3	-32.3	176.2	-69.4	-174.9	-177.9	131.4	-0.7	112.8	D42 N43	R40-D42 PolarHBondContact O-N 3.12Å; R40-N43 WeakPolarHBondContact O-CA 3.26Å; R40-N43 PolarHBondContact O-N 3.27Å
41	K	86.9	Confident	89.8	Confident	170 Å²	170	94.5 Å²	94.5	74%	0.739	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.9	173.4	69	179.5	-174.2	-174.1	0	113.9	L39 N43	L39-K41 HydrophobicContact CB-CG 3.88Å; L39-K41 HydrophobicContact CD1-CD 4.41Å; L39-K41 PolarHBondContact O-N 3.19Å; L39-K41 VanDerWaalsContact O-N 3.14Å; K41-N43 PolarHBondContact O-N 2.92Å
42	D	85	Confident	89.8	Confident	35 Å²	35	99 Å²	99	19%	0.187	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-82.1	8.1	171.6	-61.6	-76	0	0	0	112	R36 L38 L39 R40 V44	R36-D42 IonicContact CZ-OD1 2.91Å; R36-D42 IonicContact NH1-OD1 3.14Å; R36-D42 PolarHBondContact NH1-OD1 3.11Å; R36-D42 VanDerWaalsContact NH1-OD1 3.16Å; R36-D42 IonicContact NH1-OD2 2.73Å; R36-D42 PolarHBondContact NH1-OD2 2.86Å; R36-D42 VanDerWaalsContact NH1-OD2 3.14Å; R36-D42 IonicContact NH2-OD1 3.16Å; R36-D42 PolarHBondContact NH2-OD1 3.39Å; L38-D42 HydrophobicContact CD2-CB 3.95Å; L39-D42 PolarHBondContact N-OD2 3.02Å; L39-D42 WeakPolarHBondContact O-CA 3.29Å; L39-D42 VanDerWaalsContact O-CB 3.28Å; L39-D42 WeakPolarHBondContact O-CB 3.18Å; L39-D42 PolarHBondContact O-N 2.88Å; R40-D42 PolarHBondContact O-N 3.12Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 HydrophobicContact CB-CG2 4.29Å; D42-V44 PolarHBondContact O-N 2.92Å
43	N	82.5	Confident	89.5	Confident	154 Å²	154	100.1 Å²	100.1	82%	0.824	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	35.6	-174	-58.8	-50.2	0	0	0	113.7	R40 K41	R40-N43 WeakPolarHBondContact O-CA 3.26Å; R40-N43 PolarHBondContact O-N 3.27Å; K41-N43 PolarHBondContact O-N 2.92Å
44	V	84.3	Confident	89.5	Confident	53 Å²	53	94.9 Å²	94.9	32%	0.321	48%	0.477	S	S	.	.			trans	-114.4	129.3	177.9	179.6	0	0	0	0	109.1	L38 D42	L38-V44 HydrophobicContact CB-CB 4.27Å; L38-V44 HydrophobicContact CB-CG1 4.31Å; L38-V44 HydrophobicContact CB-CG2 4.22Å; L38-V44 HydrophobicContact CD1-CG2 4.16Å; L38-V44 HydrophobicContact CD2-CG2 4.38Å; L38-V44 HydrophobicContact CG-CG2 4.49Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 HydrophobicContact CB-CG2 4.29Å; D42-V44 PolarHBondContact O-N 2.92Å
45	V	84.1	Confident	89.4	Confident	124 Å²	124	94.1 Å²	94.1	75%	0.752	48%	0.476	S	S	*	.			trans	-112.8	119.5	174.6	-177.3	0	0	0	0	107.8
46	P	88.6	Confident	89.2	Confident	99 Å²	99	88.1 Å²	88.1	64%	0.643	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-71.3	150	177.6	30.4	-34.4	0	0	0	110.9
47	V	92.8	Very high	88.9	Confident	60 Å²	60	84.2 Å²	84.2	36%	0.364	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-99.5	150.4	169.1	-62.1	0	0	0	0	109.7	V119 A126 Q128	V47-V119 HydrophobicContact CB-CG1 4.49Å; V47-V119 HydrophobicContact CG1-CG1 3.94Å; V47-V119 HydrophobicContact CG1-CG2 4.37Å; V47-A126 HydrophobicContact CB-CB 4.4Å; V47-A126 HydrophobicContact CG1-CB 3.95Å; V47-Q128 HydrophobicContact CG2-CB 4.01Å
48	C	95.4	Very high	88.2	Confident	55 Å²	55	83 Å²	83	37%	0.372	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.4	173.9	-64.5	0	0	0	0	110.2	A126 Y127 Q128	C48-A126 PolarHBondContact N-O 3.26Å; C48-Y127 HydrophobicContact CB-CD1 3.4Å; C48-Y127 VanDerWaalsContact CB-CD1 3.4Å; C48-Y127 HydrophobicContact CB-CE1 3.53Å; C48-Y127 HydrophobicContact CB-CG 4.14Å; C48-Y127 CarbonylContact O-C 3.55Å; C48-Y127 VanDerWaalsContact O-CA 3.29Å; C48-Y127 WeakPolarHBondContact O-CA 3.35Å; C48-Q128 PolarHBondContact O-N 2.88Å
49	L	95.1	Very high	87.6	Confident	56 Å²	56	82.9 Å²	82.9	29%	0.293	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.9	164.4	-60.3	-179.7	0	0	0	108.5	I154 V157 F161	L49-I154 HydrophobicContact CD2-CD1 4.01Å; L49-I154 HydrophobicContact CD2-CG1 3.75Å; L49-V157 HydrophobicContact CD1-CG1 3.84Å; L49-V157 HydrophobicContact CD2-CG1 4.42Å; L49-F161 HydrophobicContact CD1-CD2 4.06Å; L49-F161 HydrophobicContact CD1-CE2 3.92Å
50	A	95.4	Very high	87.5	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.008	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60	155.2	171.9	0	0	0	0	0	110.7	Q128 Y129 I154 H158	A50-Q128 WeakPolarHBondContact CB-O 3.23Å; A50-Q128 PolarHBondContact N-O 3.45Å; A50-Y129 HydrophobicContact CB-CD1 3.43Å; A50-Y129 VanDerWaalsContact CB-CD1 3.43Å; A50-Y129 HydrophobicContact CB-CD2 3.99Å; A50-Y129 HydrophobicContact CB-CE1 3.47Å; A50-Y129 VanDerWaalsContact CB-CE1 3.47Å; A50-Y129 HydrophobicContact CB-CE2 4.02Å; A50-Y129 HydrophobicContact CB-CG 3.71Å; A50-I154 HydrophobicContact CB-CG2 4.06Å; A50-H158 PolarHBondContact O-NE2 3.25Å
51	Q	92.9	Very high	87.6	Confident	157 Å²	157	70 Å²	70	73%	0.734	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59	152.3	176.9	-65.2	-178.3	10.5	0	0	110.6	E53 S54	Q51-E53 PolarHBondContact O-N 3.42Å; Q51-S54 PolarHBondContact N-OG 2.94Å; Q51-S54 WeakPolarHBondContact O-CB 3.46Å; Q51-S54 PolarHBondContact O-N 3.4Å; Q51-S54 PolarHBondContact O-OG 3.42Å
52	R	88.8	Confident	87.9	Confident	127 Å²	127	62 Å²	62	48%	0.479	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.9	178.9	-68.2	-178.6	-176.5	178	-3	110.1	S54 H158	R52-S54 PolarHBondContact O-N 2.9Å; R52-H158 HydrophobicContact CG-CB 3.82Å
53	E	84.9	Confident	88.3	Confident	114 Å²	114	64 Å²	64	53%	0.533	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	3.6	179.8	-53.7	-177.2	-163.3	0	0	115.6	Q51 R86 T155	Q51-E53 PolarHBondContact O-N 3.42Å; E53-R86 PolarHBondContact O-NH2 2.79Å; E53-T155 HydrophobicContact CG-CG2 4.26Å; E53-T155 PolarHBondContact N-OG1 2.65Å; E53-T155 VanDerWaalsContact N-OG1 3.14Å
54	S	90.6	Very high	88.8	Confident	33 Å²	33	56.6 Å²	56.6	23%	0.231	31%	0.305	C	S	.	.			trans	-71.4	144.5	177.5	68.1	0	0	0	0	110.9	Q51 R52 Y129	Q51-S54 PolarHBondContact N-OG 2.94Å; Q51-S54 WeakPolarHBondContact O-CB 3.46Å; Q51-S54 PolarHBondContact O-N 3.4Å; Q51-S54 PolarHBondContact O-OG 3.42Å; R52-S54 PolarHBondContact O-N 2.9Å; S54-Y129 WeakPolarHBondContact O-CD1 3.29Å; S54-Y129 WeakPolarHBondContact OG-CE1 3.42Å
55	V	90.1	Very high	89.1	Confident	51 Å²	51	55.7 Å²	55.7	31%	0.309	30%	0.299	S	S	.	.			trans	-104.6	154.6	169.5	-66.2	0	0	0	0	108.9	A85 R86 Y129	V55-A85 HydrophobicContact CB-CB 3.87Å; V55-A85 HydrophobicContact CG1-CB 4.07Å; V55-A85 HydrophobicContact CG2-CB 4.36Å; V55-R86 HydrophobicContact CG1-CG 3.88Å; V55-Y129 VanDerWaalsContact O-CE1 3.31Å; V55-Y129 WeakPolarHBondContact O-CE1 2.75Å
56	P	90.3	Very high	89.4	Confident	6 Å²	6	50 Å²	50	4%	0.039	27%	0.265	C	S	.	.			trans	-53.4	129.2	173.7	-24.8	32.7	0	0	0	110	I81 M118 Y129	P56-I81 HydrophobicContact CB-CG1 4.2Å; P56-I81 HydrophobicContact CG-CD1 4.38Å; P56-I81 HydrophobicContact CG-CG1 4.25Å; P56-M118 HydrophobicContact CG-CE 3.99Å; P56-Y129 HydrophobicContact CB-CD2 4.39Å; P56-Y129 HydrophobicContact CB-CE2 4.42Å; P56-Y129 HydrophobicContact CB-CG 4.43Å; P56-Y129 VanDerWaalsContact CD-CD1 3.48Å; P56-Y129 HydrophobicContact CG-CD1 3.81Å; P56-Y129 HydrophobicContact CG-CD2 3.96Å; P56-Y129 HydrophobicContact CG-CE1 4.3Å; P56-Y129 HydrophobicContact CG-CE2 4.43Å; P56-Y129 HydrophobicContact CG-CG 3.61Å; P56-Y129 VanDerWaalsContact N-CE1 3.3Å
57	P	86.1	Confident	89.4	Confident	22 Å²	22	49.6 Å²	49.6	14%	0.143	25%	0.251	C	S	.	.			trans	-66.5	152.6	176.9	24.5	-28.9	0	0	0	109.7	Y59 A60 V122 Y129	P57-Y59 HydrophobicContact CB-CD1 4.01Å; P57-Y59 HydrophobicContact CB-CE1 3.5Å; P57-Y59 VanDerWaalsContact CB-CE1 3.5Å; P57-Y59 HydrophobicContact CB-CE2 4.29Å; P57-Y59 HydrophobicContact CG-CD2 4.47Å; P57-Y59 HydrophobicContact CG-CE1 3.99Å; P57-Y59 HydrophobicContact CG-CE2 3.86Å; P57-Y59 PolarHBondContact O-N 3.09Å; P57-Y59 VanDerWaalsContact O-N 3.09Å; P57-A60 HydrophobicContact CG-CB 3.94Å; P57-A60 WeakPolarHBondContact O-CB 3.31Å; P57-A60 PolarHBondContact O-N 3.07Å; P57-V122 HydrophobicContact CG-CG1 4.02Å; P57-V122 HydrophobicContact CG-CG2 3.93Å; P57-Y129 WeakPolarHBondContact CD-OH 3.08Å
58	P	75.9	Confident	89.3	Confident	75 Å²	75	47.1 Å²	47.1	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.4	-173.9	-27.9	36.8	0	0	0	114.6	A60 Y522 N601 V602	P58-A60 VanDerWaalsContact C-N 3.31Å; P58-A60 PolarHBondContact O-N 3.44Å; P58-Y522 HydrophobicContact CB-CE1 4.2Å; P58-Y522 VanDerWaalsContact CB-OH 3.26Å; P58-Y522 WeakPolarHBondContact CB-OH 3.36Å; P58-Y522 PolarHBondContact O-OH 3.41Å; P58-N601 WeakPolarHBondContact O-CB 2.92Å; P58-N601 PolarHBondContact O-ND2 3.02Å; P58-V602 HydrophobicContact CB-CG1 4.05Å
59	Y	77.6	Confident	88.9	Confident	53 Å²	53	51.6 Å²	51.6	21%	0.208	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.3	176.9	59.5	-97.6	0	0	0	113.6	P57 V122 H123 Y522 Y525	P57-Y59 HydrophobicContact CB-CD1 4.01Å; P57-Y59 HydrophobicContact CB-CE1 3.5Å; P57-Y59 VanDerWaalsContact CB-CE1 3.5Å; P57-Y59 HydrophobicContact CB-CE2 4.29Å; P57-Y59 HydrophobicContact CG-CD2 4.47Å; P57-Y59 HydrophobicContact CG-CE1 3.99Å; P57-Y59 HydrophobicContact CG-CE2 3.86Å; P57-Y59 PolarHBondContact O-N 3.09Å; P57-Y59 VanDerWaalsContact O-N 3.09Å; Y59-V122 HydrophobicContact CE2-CG1 4.02Å; Y59-H123 AromaticContact CZ-CE1 3.91Å; Y59-H123 AromaticContact CZ-NE2 3.97Å; Y59-H123 PolarHBondContact OH-CE1 2.83Å; Y59-Y522 WeakPolarHBondContact CA-OH 3.43Å; Y59-Y522 HydrophobicContact CD1-CD1 4.19Å; Y59-Y522 AromaticContact CD1-CE1 3.77Å; Y59-Y522 HydrophobicContact CD1-CE1 3.77Å; Y59-Y522 HydrophobicContact CG-CE1 4.35Å; Y59-Y522 PolarHBondContact N-OH 3.03Å; Y59-Y525 HydrophobicContact CE1-CE2 4.45Å
60	A	85.5	Confident	88.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.26	C	S	.	.			trans	-70.8	134.8	-176.8	0	0	0	0	0	111.7	P57 P58 C120 V122 N601	P57-A60 HydrophobicContact CG-CB 3.94Å; P57-A60 WeakPolarHBondContact O-CB 3.31Å; P57-A60 PolarHBondContact O-N 3.07Å; P58-A60 VanDerWaalsContact C-N 3.31Å; P58-A60 PolarHBondContact O-N 3.44Å; A60-C120 HydrophobicContact CB-CB 4.03Å; A60-V122 HydrophobicContact CB-CG2 3.91Å; A60-N601 PolarHBondContact O-ND2 3.45Å
61	S	88	Confident	88.2	Confident	26 Å²	26	61 Å²	61	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.3	166.9	-69.4	0	0	0	0	109	Y63 C120 I121	S61-Y63 WeakPolarHBondContact O-CD2 3.47Å; S61-Y63 WeakPolarHBondContact O-CE2 3.42Å; S61-C120 WeakPolarHBondContact O-CA 3.46Å; S61-I121 PolarHBondContact O-N 2.71Å
62	C	92.7	Very high	87.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.1	-178.6	-64.2	0	0	0	0	111.2	I78 V79 I81 M118 V119 C120	C62-I78 WeakPolarHBondContact O-CA 3.38Å; C62-V79 HydrophobicContact CB-CG2 3.95Å; C62-V79 PolarHBondContact O-N 3.15Å; C62-I81 HydrophobicContact CB-CD1 4.04Å; C62-I81 HydrophobicContact CB-CG1 4.16Å; C62-M118 HydrophobicContact CB-CG 4.42Å; C62-V119 CarbonylContact C-O 3.53Å; C62-V119 WeakPolarHBondContact CA-O 3.2Å; C62-C120 HydrophobicContact CB-CB 4.09Å; C62-C120 WeakPolarHBondContact CB-SG 3.36Å; C62-C120 WeakPolarHBondContact SG-CB 3.35Å; C62-C120 CovalentContact SG-SG 2.05Å; C62-C120 PolarHBondContact SG-SG 3.43Å
63	Y	92.9	Very high	87.8	Confident	77 Å²	77	60.3 Å²	60.3	30%	0.302	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.4	-178.1	-61.7	-97.5	0	0	0	109.6	S61 E77 I78 M118 V119 I121	S61-Y63 WeakPolarHBondContact O-CD2 3.47Å; S61-Y63 WeakPolarHBondContact O-CE2 3.42Å; Y63-E77 CarbonylContact C-O 3.52Å; Y63-E77 VanDerWaalsContact CA-O 3.29Å; Y63-E77 WeakPolarHBondContact CA-O 3.42Å; Y63-I78 HydrophobicContact CD1-CG1 3.7Å; Y63-I78 HydrophobicContact CE1-CD1 3.89Å; Y63-I78 HydrophobicContact CE1-CG1 3.25Å; Y63-M118 WeakPolarHBondContact O-CA 3.42Å; Y63-V119 PolarHBondContact N-O 3.01Å; Y63-V119 PolarHBondContact O-N 2.93Å; Y63-I121 HydrophobicContact CD2-CG1 4.37Å; Y63-I121 HydrophobicContact CE2-CG1 4Å
64	V	92.3	Very high	87.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	171.1	-179.7	0	0	0	0	107.8	E77 V79 Q113 M118 Y151	V64-E77 PolarHBondContact N-O 2.87Å; V64-E77 PolarHBondContact O-N 3.18Å; V64-V79 HydrophobicContact CB-CG1 4.04Å; V64-V79 HydrophobicContact CG2-CB 4.29Å; V64-V79 HydrophobicContact CG2-CG1 3.62Å; V64-V79 HydrophobicContact CG2-CG2 3.68Å; V64-Q113 HydrophobicContact CG1-CG 4.22Å; V64-M118 HydrophobicContact CG2-CB 4.19Å; V64-M118 HydrophobicContact CG2-CG 4.24Å; V64-Y151 HydrophobicContact CG1-CE1 4.32Å; V64-Y151 HydrophobicContact CG2-CE1 3.8Å; V64-Y151 WeakPolarHBondContact CG2-OH 3.49Å
65	T	91.1	Very high	87.7	Confident	34 Å²	34	60 Å²	60	21%	0.209	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.9	175	46.2	0	0	0	0	109.7	I74 D75 E76 S116 P117	T65-I74 HydrophobicContact CG2-CG2 4.21Å; T65-D75 CarbonylContact C-O 3.55Å; T65-D75 VanDerWaalsContact CA-O 3.3Å; T65-D75 WeakPolarHBondContact CA-O 2.87Å; T65-E76 HydrophobicContact CG2-CG 3.55Å; T65-S116 WeakPolarHBondContact O-CB 3.28Å; T65-S116 PolarHBondContact O-OG 2.9Å; T65-P117 WeakPolarHBondContact OG1-CD 3.47Å
66	H	89.9	Confident	87.6	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.023	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.3	171.2	44.4	13	0	0	0	110	I74 D75 E77 Y111 I112	H66-I74 CarbonylContact O-C 3.5Å; H66-I74 VanDerWaalsContact O-CA 3.29Å; H66-I74 WeakPolarHBondContact O-CA 3.43Å; H66-D75 VanDerWaalsContact CE1-C 3.46Å; H66-D75 WeakPolarHBondContact CE1-CB 3.47Å; H66-D75 PolarHBondContact N-O 2.9Å; H66-D75 VanDerWaalsContact ND1-C 3.28Å; H66-D75 VanDerWaalsContact ND1-CB 3.32Å; H66-D75 WeakPolarHBondContact ND1-CB 3.47Å; H66-D75 PolarHBondContact ND1-O 2.91Å; H66-D75 PolarHBondContact O-N 3.5Å; H66-E77 IonicContact CD2-OE2 3.52Å; H66-E77 IonicContact NE2-OE2 3.33Å; H66-E77 PolarHBondContact NE2-OE2 3.4Å; H66-Y111 HydrophobicContact CB-CD2 4.35Å; H66-Y111 HydrophobicContact CB-CG 4.16Å; H66-Y111 AromaticContact CD2-CD2 2.92Å; H66-Y111 WeakPolarHBondContact CD2-CD2 3.47Å; H66-Y111 AromaticContact CD2-CE2 3.1Å; H66-Y111 WeakPolarHBondContact CD2-CE2 3.39Å; H66-Y111 AromaticContact CD2-CG 3.57Å; H66-Y111 AromaticContact CD2-CZ 3.86Å; H66-Y111 AromaticContact CE1-CE2 3.84Å; H66-Y111 AromaticContact CE1-CZ 3.98Å; H66-Y111 AromaticContact CG-CD2 3.67Å; H66-Y111 AromaticContact CG-CE2 3.93Å; H66-Y111 AromaticContact CG-CG 3.85Å; H66-Y111 AromaticContact NE2-CD2 3.44Å; H66-Y111 WeakPolarHBondContact NE2-CD2 3.34Å; H66-Y111 AromaticContact NE2-CE2 3.01Å; H66-Y111 WeakPolarHBondContact NE2-CE2 3.45Å; H66-Y111 AromaticContact NE2-CZ 3.59Å; H66-I112 WeakPolarHBondContact CA-O 3.28Å
67	Y	90.2	Very high	87.5	Confident	89 Å²	89	65.9 Å²	65.9	35%	0.349	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.4	170.6	-177.8	-97	0	0	0	109.3	R69 I74 I112	Y67-R69 HydrophobicContact CD1-CG 4.34Å; Y67-R69 HydrophobicContact CE1-CG 4.46Å; Y67-R69 PolarHBondContact O-N 3.35Å; Y67-I74 HydrophobicContact CD2-CG1 4.14Å; Y67-I112 HydrophobicContact CD1-CD1 3.81Å; Y67-I112 HydrophobicContact CD1-CG1 4.31Å; Y67-I112 PolarHBondContact N-O 3.23Å; Y67-I112 PolarHBondContact O-N 3.1Å
68	D	89.2	Confident	87.6	Confident	9 Å²	9	65.6 Å²	65.6	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.8	172.3	-169.6	-24.9	0	0	0	109.7	H70 E71 H72 R73 H110 Y111	D68-H70 VanDerWaalsContact C-N 3.29Å; D68-H70 PolarHBondContact O-N 3.35Å; D68-H70 WeakPolarHBondContact OD1-CA 3.31Å; D68-H70 WeakPolarHBondContact OD1-CB 3.4Å; D68-H70 PolarHBondContact OD1-N 3.48Å; D68-E71 HydrophobicContact CB-CB 4.11Å; D68-E71 PolarHBondContact OD1-N 2.8Å; D68-E71 WeakPolarHBondContact OD2-CG 3.03Å; D68-H72 VanDerWaalsContact O-CA 3.31Å; D68-H72 WeakPolarHBondContact O-CA 2.95Å; D68-H72 PolarHBondContact O-N 3Å; D68-R73 PolarHBondContact N-O 3.2Å; D68-R73 PolarHBondContact O-N 3.24Å; D68-H110 IonicContact OD1-CD2 2.73Å; D68-H110 PolarHBondContact OD1-CD2 2.89Å; D68-H110 IonicContact OD2-CD2 3.72Å; D68-H110 IonicContact OD2-NE2 3.18Å; D68-Y111 HydrophobicContact CB-CD1 4.05Å; D68-Y111 HydrophobicContact CB-CE1 3.72Å; D68-Y111 WeakPolarHBondContact OD2-CE1 3.23Å
69	R	88.2	Confident	88.2	Confident	148 Å²	148	62.1 Å²	62.1	56%	0.558	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.5	177.8	-69.6	180	179.7	-162.8	-2.1	113.5	Y67 H72 H110 I112	Y67-R69 HydrophobicContact CD1-CG 4.34Å; Y67-R69 HydrophobicContact CE1-CG 4.46Å; Y67-R69 PolarHBondContact O-N 3.35Å; R69-H72 PolarHBondContact O-CE1 3.17Å; R69-H110 WeakPolarHBondContact CB-O 3.39Å; R69-H110 VanDerWaalsContact CG-O 3.3Å; R69-H110 WeakPolarHBondContact CG-O 3.34Å; R69-H110 PolarHBondContact N-O 3.31Å; R69-I112 HydrophobicContact CG-CD1 3.97Å; R69-I112 HydrophobicContact CG-CG1 3.91Å; R69-I112 VanDerWaalsContact NE-CD1 3.32Å
70	H	88.6	Confident	88.6	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.625	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-46.3	-178.9	-66.1	-48.6	0	0	0	111	D68 H72 H110	D68-H70 VanDerWaalsContact C-N 3.29Å; D68-H70 PolarHBondContact O-N 3.35Å; D68-H70 WeakPolarHBondContact OD1-CA 3.31Å; D68-H70 WeakPolarHBondContact OD1-CB 3.4Å; D68-H70 PolarHBondContact OD1-N 3.48Å; H70-H72 VanDerWaalsContact C-N 3.31Å; H70-H110 WeakPolarHBondContact CD2-CB 3.08Å; H70-H110 AromaticContact CD2-CD2 3.89Å; H70-H110 AromaticContact CD2-CG 3.37Å; H70-H110 AromaticContact CD2-ND1 3.83Å; H70-H110 VanDerWaalsContact NE2-CB 3.25Å; H70-H110 WeakPolarHBondContact NE2-CB 3.37Å; H70-H110 AromaticContact NE2-CG 3.83Å
71	E	86.7	Confident	88.7	Confident	121 Å²	121	60.9 Å²	60.9	57%	0.565	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	-179.1	-65.3	-63.7	152.9	0	0	113.2	D68 R73	D68-E71 HydrophobicContact CB-CB 4.11Å; D68-E71 PolarHBondContact OD1-N 2.8Å; D68-E71 WeakPolarHBondContact OD2-CG 3.03Å; E71-R73 HydrophobicContact CB-CG 3.75Å; E71-R73 PolarHBondContact O-N 3.17Å
72	H	86.4	Confident	88	Confident	141 Å²	141	60.2 Å²	60.2	65%	0.653	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	36.9	-177.6	-65	-67	0	0	0	113.8	D68 R69 H70	D68-H72 VanDerWaalsContact O-CA 3.31Å; D68-H72 WeakPolarHBondContact O-CA 2.95Å; D68-H72 PolarHBondContact O-N 3Å; R69-H72 PolarHBondContact O-CE1 3.17Å; H70-H72 VanDerWaalsContact C-N 3.31Å
73	R	87.1	Confident	86.8	Confident	127 Å²	127	63.5 Å²	63.5	48%	0.479	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.2	-176.4	69.8	-166.6	-177.7	97.3	12.9	111.6	D68 E71 D75	D68-R73 PolarHBondContact N-O 3.2Å; D68-R73 PolarHBondContact O-N 3.24Å; E71-R73 HydrophobicContact CB-CG 3.75Å; E71-R73 PolarHBondContact O-N 3.17Å; R73-D75 VanDerWaalsContact CZ-CG 3.46Å; R73-D75 IonicContact CZ-OD1 2.82Å; R73-D75 IonicContact CZ-OD2 3.29Å; R73-D75 VanDerWaalsContact CZ-OD2 3.29Å; R73-D75 IonicContact NE-OD1 3.96Å; R73-D75 PolarHBondContact NE-OD1 2.88Å; R73-D75 IonicContact NE-OD2 3.66Å; R73-D75 IonicContact NH1-OD1 2.63Å; R73-D75 PolarHBondContact NH1-OD1 2.97Å; R73-D75 IonicContact NH1-OD2 3.88Å; R73-D75 VanDerWaalsContact NH2-CG 3.33Å; R73-D75 IonicContact NH2-OD1 3.06Å; R73-D75 PolarHBondContact NH2-OD1 2.97Å; R73-D75 IonicContact NH2-OD2 2.85Å; R73-D75 PolarHBondContact NH2-OD2 2.81Å
74	I	86.5	Confident	85.8	Confident	118 Å²	118	64.2 Å²	64.2	61%	0.605	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.2	168.1	-62.4	173	0	0	0	106.9	T65 H66 Y67	T65-I74 HydrophobicContact CG2-CG2 4.21Å; H66-I74 CarbonylContact O-C 3.5Å; H66-I74 VanDerWaalsContact O-CA 3.29Å; H66-I74 WeakPolarHBondContact O-CA 3.43Å; Y67-I74 HydrophobicContact CD2-CG1 4.14Å
75	D	86.2	Confident	85.2	Confident	22 Å²	22	64.6 Å²	64.6	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157.7	170.5	-77.3	-25.3	0	0	0	109.6	T65 H66 R73	T65-D75 CarbonylContact C-O 3.55Å; T65-D75 VanDerWaalsContact CA-O 3.3Å; T65-D75 WeakPolarHBondContact CA-O 2.87Å; H66-D75 VanDerWaalsContact CE1-C 3.46Å; H66-D75 WeakPolarHBondContact CE1-CB 3.47Å; H66-D75 PolarHBondContact N-O 2.9Å; H66-D75 VanDerWaalsContact ND1-C 3.28Å; H66-D75 VanDerWaalsContact ND1-CB 3.32Å; H66-D75 WeakPolarHBondContact ND1-CB 3.47Å; H66-D75 PolarHBondContact ND1-O 2.91Å; H66-D75 PolarHBondContact O-N 3.5Å; R73-D75 VanDerWaalsContact CZ-CG 3.46Å; R73-D75 IonicContact CZ-OD1 2.82Å; R73-D75 IonicContact CZ-OD2 3.29Å; R73-D75 VanDerWaalsContact CZ-OD2 3.29Å; R73-D75 IonicContact NE-OD1 3.96Å; R73-D75 PolarHBondContact NE-OD1 2.88Å; R73-D75 IonicContact NE-OD2 3.66Å; R73-D75 IonicContact NH1-OD1 2.63Å; R73-D75 PolarHBondContact NH1-OD1 2.97Å; R73-D75 IonicContact NH1-OD2 3.88Å; R73-D75 VanDerWaalsContact NH2-CG 3.33Å; R73-D75 IonicContact NH2-OD1 3.06Å; R73-D75 PolarHBondContact NH2-OD1 2.97Å; R73-D75 IonicContact NH2-OD2 2.85Å; R73-D75 PolarHBondContact NH2-OD2 2.81Å
76	E	89	Confident	84.9	Confident	140 Å²	140	67.5 Å²	67.5	65%	0.654	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	133	176.8	-76.1	171	171.4	0	0	107.8	T65	T65-E76 HydrophobicContact CG2-CG 3.55Å
77	E	88.1	Confident	84.3	Confident	42 Å²	42	68.2 Å²	68.2	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.9	-178.9	-173.8	165.8	-176.9	0	0	110.3	Y63 V64 H66 V79	Y63-E77 CarbonylContact C-O 3.52Å; Y63-E77 VanDerWaalsContact CA-O 3.29Å; Y63-E77 WeakPolarHBondContact CA-O 3.42Å; V64-E77 PolarHBondContact N-O 2.87Å; V64-E77 PolarHBondContact O-N 3.18Å; H66-E77 IonicContact CD2-OE2 3.52Å; H66-E77 IonicContact NE2-OE2 3.33Å; H66-E77 PolarHBondContact NE2-OE2 3.4Å; E77-V79 PolarHBondContact O-N 2.84Å
78	I	88.2	Confident	83.3	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.2	173.9	-64.3	173.9	0	0	0	108.3	C62 Y63 P587 A591 P600	C62-I78 WeakPolarHBondContact O-CA 3.38Å; Y63-I78 HydrophobicContact CD1-CG1 3.7Å; Y63-I78 HydrophobicContact CE1-CD1 3.89Å; Y63-I78 HydrophobicContact CE1-CG1 3.25Å; I78-P587 HydrophobicContact CB-CB 4.12Å; I78-P587 HydrophobicContact CG2-CB 3.77Å; I78-A591 HydrophobicContact CD1-CB 3.32Å; I78-P600 HydrophobicContact CG2-CB 3.84Å; I78-P600 HydrophobicContact CG2-CG 3.76Å
79	V	88.9	Confident	81.8	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145	175.7	-63.2	0	0	0	0	110.7	C62 V64 E77 I81 A103	C62-V79 HydrophobicContact CB-CG2 3.95Å; C62-V79 PolarHBondContact O-N 3.15Å; V64-V79 HydrophobicContact CB-CG1 4.04Å; V64-V79 HydrophobicContact CG2-CB 4.29Å; V64-V79 HydrophobicContact CG2-CG1 3.62Å; V64-V79 HydrophobicContact CG2-CG2 3.68Å; E77-V79 PolarHBondContact O-N 2.84Å; V79-I81 HydrophobicContact CG2-CD1 4.36Å; V79-A103 HydrophobicContact CB-CB 4Å; V79-A103 HydrophobicContact CG2-CB 4.06Å
80	M	85.6	Confident	79.5	Confident	17 Å²	17	65.4 Å²	65.4	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.8	176.3	-61.6	-177.3	-69	0	0	109.2	A103 V104 P587 P600 K663	M80-A103 CarbonylContact O-C 3.56Å; M80-A103 VanDerWaalsContact O-CA 3.25Å; M80-A103 WeakPolarHBondContact O-CA 3.43Å; M80-V104 HydrophobicContact CB-CB 4.43Å; M80-V104 HydrophobicContact CE-CB 4.21Å; M80-V104 HydrophobicContact CE-CG1 4.19Å; M80-V104 PolarHBondContact O-N 2.74Å; M80-P587 HydrophobicContact CE-CG 4.07Å; M80-P587 HydrophobicContact CG-CB 4.43Å; M80-P587 HydrophobicContact CG-CG 3.67Å; M80-P587 HydrophobicContact SD-CG 3.73Å; M80-P600 HydrophobicContact CG-CB 4.23Å; M80-P600 WeakPolarHBondContact CG-O 3.5Å; M80-K663 PolarHBondContact SD-NZ 2.79Å
81	I	86.8	Confident	77.2	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.9	171.3	-49.5	-57.3	0	0	0	108.1	P56 C62 V79 A85 I101 A103 M118 N601	P56-I81 HydrophobicContact CB-CG1 4.2Å; P56-I81 HydrophobicContact CG-CD1 4.38Å; P56-I81 HydrophobicContact CG-CG1 4.25Å; C62-I81 HydrophobicContact CB-CD1 4.04Å; C62-I81 HydrophobicContact CB-CG1 4.16Å; V79-I81 HydrophobicContact CG2-CD1 4.36Å; I81-A85 HydrophobicContact CG2-CB 3.55Å; I81-I101 HydrophobicContact CD1-CG2 4.42Å; I81-I101 HydrophobicContact CG2-CG2 4.2Å; I81-A103 HydrophobicContact CD1-CB 3.97Å; I81-M118 HydrophobicContact CD1-CE 4.28Å; I81-M118 HydrophobicContact CD1-SD 3.44Å; I81-M118 WeakPolarHBondContact CD1-SD 3.12Å; I81-N601 PolarHBondContact N-OD1 3.11Å
82	T	74.2	Confident	75.1	Confident	12 Å²	12	65.5 Å²	65.5	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	146.1	172.4	47.7	0	0	0	0	109.4	N84 A85 C102 V104 L148	T82-N84 CarbonylContact O-C 3.42Å; T82-N84 VanDerWaalsContact O-C 3.29Å; T82-N84 PolarHBondContact O-N 3.48Å; T82-N84 PolarHBondContact OG1-O 2.82Å; T82-A85 VanDerWaalsContact O-CA 3.25Å; T82-A85 WeakPolarHBondContact O-CA 3.21Å; T82-A85 PolarHBondContact O-N 3.33Å; T82-C102 PolarHBondContact N-O 2.83Å; T82-C102 PolarHBondContact OG1-O 3.38Å; T82-V104 HydrophobicContact CG2-CG2 4.07Å; T82-L148 HydrophobicContact CG2-CD2 4.45Å
83	R	66	Low	72.9	Confident	69 Å²	69	64.5 Å²	64.5	26%	0.26	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	-42.1	178.7	-75.7	-172.1	-175.7	-142.6	-7.1	111.2	A85 K663 E665 D668	R83-A85 VanDerWaalsContact C-N 3.26Å; R83-A85 PolarHBondContact O-N 2.96Å; R83-K663 PolarHBondContact NH2-O 2.96Å; R83-E665 WeakPolarHBondContact CB-OE1 3.31Å; R83-E665 WeakPolarHBondContact CB-OE2 3.07Å; R83-E665 WeakPolarHBondContact CD-OE1 3.4Å; R83-E665 WeakPolarHBondContact CD-OE2 3.42Å; R83-E665 WeakPolarHBondContact CG-OE1 3.3Å; R83-E665 IonicContact NE-OE1 3.86Å; R83-D668 IonicContact CZ-OD1 3.67Å; R83-D668 IonicContact CZ-OD2 3.44Å; R83-D668 VanDerWaalsContact NH1-CG 3.33Å; R83-D668 IonicContact NH1-OD1 3.69Å; R83-D668 PolarHBondContact NH1-OD1 3.43Å; R83-D668 IonicContact NH1-OD2 3.49Å; R83-D668 PolarHBondContact NH1-OD2 3.49Å; R83-D668 IonicContact NH2-OD2 3.75Å
84	N	71.8	Confident	71.1	Confident	91 Å²	91	66.1 Å²	66.1	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	81.1	160.1	-71.5	-36.6	0	0	0	108.9	T82 R86	T82-N84 CarbonylContact O-C 3.42Å; T82-N84 VanDerWaalsContact O-C 3.29Å; T82-N84 PolarHBondContact O-N 3.48Å; T82-N84 PolarHBondContact OG1-O 2.82Å; N84-R86 PolarHBondContact O-N 2.99Å; N84-R86 VanDerWaalsContact O-N 3.14Å
85	A	79.7	Confident	69.1	Low	9 Å²	9	63.1 Å²	63.1	7%	0.074	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	-35.8	-175.9	0	0	0	0	0	111.3	V55 I81 T82 R83 I101 C102	V55-A85 HydrophobicContact CB-CB 3.87Å; V55-A85 HydrophobicContact CG1-CB 4.07Å; V55-A85 HydrophobicContact CG2-CB 4.36Å; I81-A85 HydrophobicContact CG2-CB 3.55Å; T82-A85 VanDerWaalsContact O-CA 3.25Å; T82-A85 WeakPolarHBondContact O-CA 3.21Å; T82-A85 PolarHBondContact O-N 3.33Å; R83-A85 VanDerWaalsContact C-N 3.26Å; R83-A85 PolarHBondContact O-N 2.96Å; A85-I101 HydrophobicContact CB-CG2 4.44Å; A85-I101 CarbonylContact O-C 3.58Å; A85-I101 WeakPolarHBondContact O-CA 3.33Å; A85-I101 WeakPolarHBondContact O-CG2 3.5Å; A85-C102 PolarHBondContact O-N 2.84Å
86	R	85.2	Confident	67.3	Low	94 Å²	94	64.1 Å²	64.1	36%	0.355	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.5	175.5	-69.4	165	-175.5	159.4	-3	110.9	E53 V55 N84 R99 G100 E153	E53-R86 PolarHBondContact O-NH2 2.79Å; V55-R86 HydrophobicContact CG1-CG 3.88Å; N84-R86 PolarHBondContact O-N 2.99Å; N84-R86 VanDerWaalsContact O-N 3.14Å; R86-R99 HydrophobicContact CB-CG 4.44Å; R86-R99 VanDerWaalsContact CD-NE 3.28Å; R86-R99 HydrophobicContact CG-CG 4.15Å; R86-R99 VanDerWaalsContact NH1-NH2 3.12Å; R86-R99 VanDerWaalsContact NH2-CZ 3.28Å; R86-R99 VanDerWaalsContact NH2-NH1 3.13Å; R86-G100 VanDerWaalsContact CA-O 3.28Å; R86-G100 WeakPolarHBondContact CA-O 3.33Å; R86-E153 IonicContact NE-OE1 3.52Å
87	C	77.6	Confident	65.7	Low	21 Å²	21	66.1 Å²	66.1	14%	0.142	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	162.3	174	60.6	0	0	0	0	111.1	A89 G100 C102	C87-A89 PolarHBondContact O-N 3.43Å; C87-A89 VanDerWaalsContact O-N 3.08Å; C87-G100 PolarHBondContact N-O 3.22Å; C87-C102 HydrophobicContact CB-CB 3.55Å; C87-C102 WeakPolarHBondContact CB-SG 3.48Å; C87-C102 WeakPolarHBondContact SG-CB 3.41Å; C87-C102 CovalentContact SG-SG 2.01Å; C87-C102 PolarHBondContact SG-SG 3.14Å
88	L	70.3	Confident	64.4	Low	80 Å²	80	64.9 Å²	64.9	42%	0.419	37%	0.371	S	S	.	.	S	Bend	trans	61.3	9.8	-176.7	-60	171.9	0	0	0	114.7	A90 F98 L136 F150	L88-A90 PolarHBondContact O-N 2.97Å; L88-F98 CarbonylContact C-O 3.36Å; L88-F98 HydrophobicContact CB-CD1 3.74Å; L88-F98 HydrophobicContact CB-CE1 4Å; L88-F98 HydrophobicContact CD1-CD1 3.99Å; L88-F98 HydrophobicContact CD1-CE1 3.45Å; L88-F98 VanDerWaalsContact CD1-CE1 3.45Å; L88-F98 HydrophobicContact CD1-CZ 4.48Å; L88-F98 HydrophobicContact CG-CE1 4.35Å; L88-F98 VanDerWaalsContact O-O 3.07Å; L88-L136 HydrophobicContact CD1-CD1 3.5Å; L88-L136 VanDerWaalsContact CD1-CD1 3.5Å; L88-L136 HydrophobicContact CD1-CD2 4.18Å; L88-L136 HydrophobicContact CD1-CG 4.49Å; L88-L136 HydrophobicContact CG-CD1 4.13Å; L88-F150 HydrophobicContact CD1-CD2 4.1Å; L88-F150 HydrophobicContact CD1-CE2 4.2Å
89	A	56.5	Low	63.8	Low	61 Å²	61	67.9 Å²	67.9	50%	0.504	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-72.3	119.4	165.7	0	0	0	0	0	108.9	C87	C87-A89 PolarHBondContact O-N 3.43Å; C87-A89 VanDerWaalsContact O-N 3.08Å
90	A	41	Very low	63.7	Low	45 Å²	45	67.8 Å²	67.8	37%	0.372	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-83.2	134.5	174.9	0	0	0	0	0	111.5	L88 A95	L88-A90 PolarHBondContact O-N 2.97Å; A90-A95 HydrophobicContact CB-CB 3.05Å
91	Q	39.5	Very low	63.9	Low	203 Å²	203	67 Å²	67	95%	0.949	38%	0.377	S	S	*	.	S	Bend	trans	-82.7	116.5	162.9	-74.3	179.8	-12.3	0	0	108
92	G	43.4	Very low	63.9	Low	55 Å²	55	66.6 Å²	66.6	57%	0.567	38%	0.375	S	S	*	.	S	Bend	trans	118.8	141.7	178.5	0	0	0	0	0	113.6	N94	G92-N94 PolarHBondContact O-N 2.85Å
93	S	40.2	Very low	64.7	Low	121 Å²	121	66 Å²	66	85%	0.846	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	1.3	-166.5	56.4	0	0	0	0	117
94	N	48.2	Very low	65.4	Low	161 Å²	161	63.5 Å²	63.5	86%	0.861	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	20.2	-171.5	-72.5	-25.5	0	0	0	114.3	G92	G92-N94 PolarHBondContact O-N 2.85Å
95	A	44.7	Very low	65.8	Low	55 Å²	55	59.5 Å²	59.5	46%	0.455	34%	0.342	S	S	.	.	S	Bend	trans	-137.4	154	-170.8	0	0	0	0	0	112.2	A90	A90-A95 HydrophobicContact CB-CB 3.05Å
96	P	47.8	Very low	65.6	Low	43 Å²	43	64.8 Å²	64.8	28%	0.279	37%	0.365	S	S	.	.			trans	-59.2	134.3	-145.8	16.4	-29.6	0	0	0	114.6	E21 F98	E21-P96 HydrophobicContact CG-CB 3.74Å; E21-P96 HydrophobicContact CG-CG 4.21Å; P96-F98 HydrophobicContact CB-CB 4.44Å; P96-F98 PolarHBondContact O-N 2.57Å
97	Q	55.5	Low	65.1	Low	181 Å²	181	64 Å²	64	85%	0.846	37%	0.365	S	S	*	.			trans	-68.6	23.1	176	-149.3	177.4	32	0	0	113.3
98	F	61.4	Low	65.2	Low	17 Å²	17	67.2 Å²	67.2	8%	0.075	38%	0.376	C	S	.	.			trans	-98.6	118.2	-176.3	173.2	-94	0	0	0	108.8	L18 W20 L88 P96 F150	L18-F98 HydrophobicContact CB-CD2 4.43Å; L18-F98 HydrophobicContact CB-CE2 4.46Å; L18-F98 HydrophobicContact CD1-CD2 4.28Å; L18-F98 HydrophobicContact CD1-CE2 3.67Å; W20-F98 AromaticContact CE3-CD2 3.88Å; W20-F98 HydrophobicContact CE3-CD2 3.88Å; W20-F98 HydrophobicContact CE3-CE2 4.03Å; W20-F98 HydrophobicContact CE3-CG 4.16Å; W20-F98 HydrophobicContact CE3-CZ 4.44Å; W20-F98 HydrophobicContact CZ3-CD1 4.07Å; W20-F98 AromaticContact CZ3-CD2 3.93Å; W20-F98 HydrophobicContact CZ3-CD2 3.93Å; W20-F98 AromaticContact CZ3-CE1 3.98Å; W20-F98 HydrophobicContact CZ3-CE1 3.98Å; W20-F98 AromaticContact CZ3-CE2 3.82Å; W20-F98 HydrophobicContact CZ3-CE2 3.82Å; W20-F98 AromaticContact CZ3-CG 3.97Å; W20-F98 HydrophobicContact CZ3-CG 3.97Å; W20-F98 AromaticContact CZ3-CZ 3.77Å; W20-F98 HydrophobicContact CZ3-CZ 3.77Å; L88-F98 CarbonylContact C-O 3.36Å; L88-F98 HydrophobicContact CB-CD1 3.74Å; L88-F98 HydrophobicContact CB-CE1 4Å; L88-F98 HydrophobicContact CD1-CD1 3.99Å; L88-F98 HydrophobicContact CD1-CE1 3.45Å; L88-F98 VanDerWaalsContact CD1-CE1 3.45Å; L88-F98 HydrophobicContact CD1-CZ 4.48Å; L88-F98 HydrophobicContact CG-CE1 4.35Å; L88-F98 VanDerWaalsContact O-O 3.07Å; P96-F98 HydrophobicContact CB-CB 4.44Å; P96-F98 PolarHBondContact O-N 2.57Å; F98-F150 HydrophobicContact CD1-CE2 4.2Å; F98-F150 HydrophobicContact CD1-CZ 4.1Å; F98-F150 HydrophobicContact CE1-CD1 4.45Å; F98-F150 HydrophobicContact CE1-CD2 4.01Å; F98-F150 AromaticContact CE1-CE1 3.76Å; F98-F150 HydrophobicContact CE1-CE1 3.76Å; F98-F150 AromaticContact CE1-CE2 3.17Å; F98-F150 HydrophobicContact CE1-CE2 3.17Å; F98-F150 AromaticContact CE1-CZ 3.05Å; F98-F150 HydrophobicContact CE1-CZ 3.05Å; F98-F150 AromaticContact CE2-CE1 3.8Å; F98-F150 HydrophobicContact CE2-CE1 3.8Å; F98-F150 AromaticContact CE2-CZ 3.66Å; F98-F150 HydrophobicContact CE2-CZ 3.66Å; F98-F150 AromaticContact CZ-CD1 3.87Å; F98-F150 HydrophobicContact CZ-CD1 3.87Å; F98-F150 HydrophobicContact CZ-CD2 4.24Å; F98-F150 AromaticContact CZ-CE1 3.07Å; F98-F150 HydrophobicContact CZ-CE1 3.07Å; F98-F150 AromaticContact CZ-CE2 3.48Å; F98-F150 HydrophobicContact CZ-CE2 3.48Å; F98-F150 VanDerWaalsContact CZ-CE2 3.48Å; F98-F150 HydrophobicContact CZ-CG 4.42Å; F98-F150 AromaticContact CZ-CZ 2.84Å; F98-F150 HydrophobicContact CZ-CZ 2.84Å
99	R	76.6	Confident	65.7	Low	78 Å²	78	73.5 Å²	73.5	29%	0.294	40%	0.4	S	S	.	.			trans	-126.3	132.7	-179.8	-171.6	169.1	121.9	-171.6	141.7	109.1	R86 E153	R86-R99 HydrophobicContact CB-CG 4.44Å; R86-R99 VanDerWaalsContact CD-NE 3.28Å; R86-R99 HydrophobicContact CG-CG 4.15Å; R86-R99 VanDerWaalsContact NH1-NH2 3.12Å; R86-R99 VanDerWaalsContact NH2-CZ 3.28Å; R86-R99 VanDerWaalsContact NH2-NH1 3.13Å; R99-E153 WeakPolarHBondContact CG-OE1 3.2Å; R99-E153 IonicContact CZ-OE1 3.5Å; R99-E153 IonicContact CZ-OE2 3.67Å; R99-E153 IonicContact NE-OE1 2.73Å; R99-E153 PolarHBondContact NE-OE1 3.29Å; R99-E153 IonicContact NE-OE2 3.41Å; R99-E153 PolarHBondContact NE-OE2 2.87Å; R99-E153 IonicContact NH1-OE1 3.52Å; R99-E153 IonicContact NH1-OE2 3.02Å; R99-E153 PolarHBondContact NH1-OE2 2.79Å
100	G	85.7	Confident	67.1	Low	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	175.8	170.9	0	0	0	0	0	110.8	R86 C87 Y151	R86-G100 VanDerWaalsContact CA-O 3.28Å; R86-G100 WeakPolarHBondContact CA-O 3.33Å; C87-G100 PolarHBondContact N-O 3.22Å; G100-Y151 CarbonylContact C-O 3.57Å; G100-Y151 WeakPolarHBondContact CA-O 3.2Å
101	I	89.7	Confident	69.3	Low	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.2	179.2	-58.8	161.5	0	0	0	108	I81 A85 M118 Y151 E153	I81-I101 HydrophobicContact CD1-CG2 4.42Å; I81-I101 HydrophobicContact CG2-CG2 4.2Å; A85-I101 HydrophobicContact CB-CG2 4.44Å; A85-I101 CarbonylContact O-C 3.58Å; A85-I101 WeakPolarHBondContact O-CA 3.33Å; A85-I101 WeakPolarHBondContact O-CG2 3.5Å; I101-M118 HydrophobicContact CB-CE 3.95Å; I101-M118 HydrophobicContact CD1-CE 3.72Å; I101-M118 HydrophobicContact CG1-CE 4.45Å; I101-M118 HydrophobicContact CG2-CE 3.6Å; I101-M118 HydrophobicContact CG2-SD 4.27Å; I101-Y151 PolarHBondContact N-O 2.91Å; I101-Y151 WeakPolarHBondContact O-CD2 3.33Å; I101-Y151 PolarHBondContact O-N 2.83Å; I101-E153 HydrophobicContact CD1-CG 4.32Å; I101-E153 HydrophobicContact CG1-CG 4.16Å
102	C	87.8	Confident	71.7	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.7	173	-85.2	0	0	0	0	111.2	T82 A85 C87 G149	T82-C102 PolarHBondContact N-O 2.83Å; T82-C102 PolarHBondContact OG1-O 3.38Å; A85-C102 PolarHBondContact O-N 2.84Å; C87-C102 HydrophobicContact CB-CB 3.55Å; C87-C102 WeakPolarHBondContact CB-SG 3.48Å; C87-C102 WeakPolarHBondContact SG-CB 3.41Å; C87-C102 CovalentContact SG-SG 2.01Å; C87-C102 PolarHBondContact SG-SG 3.14Å; C102-G149 WeakPolarHBondContact CA-O 2.92Å
103	A	89.4	Confident	74	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.9	170	0	0	0	0	0	109.8	V79 M80 I81 E105 L148 G149 Y151	V79-A103 HydrophobicContact CB-CB 4Å; V79-A103 HydrophobicContact CG2-CB 4.06Å; M80-A103 CarbonylContact O-C 3.56Å; M80-A103 VanDerWaalsContact O-CA 3.25Å; M80-A103 WeakPolarHBondContact O-CA 3.43Å; I81-A103 HydrophobicContact CD1-CB 3.97Å; A103-E105 PolarHBondContact O-N 3.27Å; A103-L148 CarbonylContact O-C 3.46Å; A103-L148 VanDerWaalsContact O-CA 3.3Å; A103-L148 WeakPolarHBondContact O-CA 3.36Å; A103-G149 PolarHBondContact N-O 2.91Å; A103-G149 PolarHBondContact O-N 3.47Å; A103-Y151 HydrophobicContact CB-CE2 3.8Å
104	V	82	Confident	76.4	Confident	17 Å²	17	63 Å²	63	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.8	173.9	-176.8	0	0	0	0	108.2	M80 T82 Q146 L148	M80-V104 HydrophobicContact CB-CB 4.43Å; M80-V104 HydrophobicContact CE-CB 4.21Å; M80-V104 HydrophobicContact CE-CG1 4.19Å; M80-V104 PolarHBondContact O-N 2.74Å; T82-V104 HydrophobicContact CG2-CG2 4.07Å; V104-Q146 VanDerWaalsContact CG2-NE2 3.34Å; V104-L148 HydrophobicContact CB-CD2 4.48Å; V104-L148 HydrophobicContact CG2-CD2 3.97Å
105	E	80.2	Confident	78.4	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.033	29%	0.289	C	S	.	.			trans	-148	132	-173.9	-169.2	-177	-177	0	0	112.7	A103 Q113 Q135 K147 Y151	A103-E105 PolarHBondContact O-N 3.27Å; E105-Q113 VanDerWaalsContact OE1-CD 3.26Å; E105-Q113 PolarHBondContact OE1-NE2 3.2Å; E105-Q113 PolarHBondContact OE1-OE1 2.81Å; E105-Q113 PolarHBondContact OE2-NE2 2.87Å; E105-Q135 PolarHBondContact O-NE2 2.96Å; E105-K147 PolarHBondContact N-O 3.27Å; E105-K147 WeakPolarHBondContact O-CB 3.24Å; E105-Y151 PolarHBondContact OE2-OH 2.89Å
106	Q	74.5	Confident	80.8	Confident	119 Å²	119	55.4 Å²	55.4	56%	0.556	27%	0.272	S	S	*	.			trans	-98.6	85.9	170.6	-62.1	-168.4	22.8	0	0	110.6	K108	Q106-K108 PolarHBondContact O-N 2.77Å; Q106-K108 VanDerWaalsContact O-N 3.16Å
107	K	74.7	Confident	83	Confident	79 Å²	79	55.1 Å²	55.1	34%	0.343	27%	0.27	S	S	.	.			trans	-54.6	122.1	174.4	-176.9	175.4	178.3	178.2	0	112	Q135	K107-Q135 VanDerWaalsContact CB-NE2 3.26Å
108	K	80.4	Confident	84.9	Confident	87 Å²	87	46.5 Å²	46.5	38%	0.378	23%	0.23	S	C	.	.			trans	-80	145	170.8	-52	-173.1	-162.3	160.3	0	110.5	Q106 H110 Y111	Q106-K108 PolarHBondContact O-N 2.77Å; Q106-K108 VanDerWaalsContact O-N 3.16Å; K108-H110 VanDerWaalsContact C-N 3.25Å; K108-H110 PolarHBondContact O-N 2.86Å; K108-Y111 HydrophobicContact CB-CD2 3.64Å; K108-Y111 HydrophobicContact CB-CE2 3.98Å; K108-Y111 HydrophobicContact CB-CG 4Å; K108-Y111 HydrophobicContact CD-CD2 4Å; K108-Y111 HydrophobicContact CD-CE1 4.45Å; K108-Y111 HydrophobicContact CD-CE2 3.38Å; K108-Y111 HydrophobicContact CG-CD2 3.83Å; K108-Y111 HydrophobicContact CG-CE2 3.72Å; K108-Y111 PolarHBondContact NZ-OH 3.4Å; K108-Y111 PolarHBondContact O-N 3.45Å
109	K	80.4	Confident	86.5	Confident	213 Å²	213	46.8 Å²	46.8	93%	0.926	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-30.7	-175.6	-70.4	-176.8	178.2	177.6	0	113.6
110	H	85.1	Confident	87.4	Confident	47 Å²	47	43.1 Å²	43.1	22%	0.218	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.6	-177.3	54.2	-92.1	0	0	0	114.1	D68 R69 H70 K108	D68-H110 IonicContact OD1-CD2 2.73Å; D68-H110 PolarHBondContact OD1-CD2 2.89Å; D68-H110 IonicContact OD2-CD2 3.72Å; D68-H110 IonicContact OD2-NE2 3.18Å; R69-H110 WeakPolarHBondContact CB-O 3.39Å; R69-H110 VanDerWaalsContact CG-O 3.3Å; R69-H110 WeakPolarHBondContact CG-O 3.34Å; R69-H110 PolarHBondContact N-O 3.31Å; H70-H110 WeakPolarHBondContact CD2-CB 3.08Å; H70-H110 AromaticContact CD2-CD2 3.89Å; H70-H110 AromaticContact CD2-CG 3.37Å; H70-H110 AromaticContact CD2-ND1 3.83Å; H70-H110 VanDerWaalsContact NE2-CB 3.25Å; H70-H110 WeakPolarHBondContact NE2-CB 3.37Å; H70-H110 AromaticContact NE2-CG 3.83Å; K108-H110 VanDerWaalsContact C-N 3.25Å; K108-H110 PolarHBondContact O-N 2.86Å
111	Y	88.5	Confident	87.6	Confident	19 Å²	19	46.3 Å²	46.3	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.3	179.8	-69.8	-13.9	0	0	0	112.1	H66 D68 K108	H66-Y111 HydrophobicContact CB-CD2 4.35Å; H66-Y111 HydrophobicContact CB-CG 4.16Å; H66-Y111 AromaticContact CD2-CD2 2.92Å; H66-Y111 WeakPolarHBondContact CD2-CD2 3.47Å; H66-Y111 AromaticContact CD2-CE2 3.1Å; H66-Y111 WeakPolarHBondContact CD2-CE2 3.39Å; H66-Y111 AromaticContact CD2-CG 3.57Å; H66-Y111 AromaticContact CD2-CZ 3.86Å; H66-Y111 AromaticContact CE1-CE2 3.84Å; H66-Y111 AromaticContact CE1-CZ 3.98Å; H66-Y111 AromaticContact CG-CD2 3.67Å; H66-Y111 AromaticContact CG-CE2 3.93Å; H66-Y111 AromaticContact CG-CG 3.85Å; H66-Y111 AromaticContact NE2-CD2 3.44Å; H66-Y111 WeakPolarHBondContact NE2-CD2 3.34Å; H66-Y111 AromaticContact NE2-CE2 3.01Å; H66-Y111 WeakPolarHBondContact NE2-CE2 3.45Å; H66-Y111 AromaticContact NE2-CZ 3.59Å; D68-Y111 HydrophobicContact CB-CD1 4.05Å; D68-Y111 HydrophobicContact CB-CE1 3.72Å; D68-Y111 WeakPolarHBondContact OD2-CE1 3.23Å; K108-Y111 HydrophobicContact CB-CD2 3.64Å; K108-Y111 HydrophobicContact CB-CE2 3.98Å; K108-Y111 HydrophobicContact CB-CG 4Å; K108-Y111 HydrophobicContact CD-CD2 4Å; K108-Y111 HydrophobicContact CD-CE1 4.45Å; K108-Y111 HydrophobicContact CD-CE2 3.38Å; K108-Y111 HydrophobicContact CG-CD2 3.83Å; K108-Y111 HydrophobicContact CG-CE2 3.72Å; K108-Y111 PolarHBondContact NZ-OH 3.4Å; K108-Y111 PolarHBondContact O-N 3.45Å
112	I	89.5	Confident	87.6	Confident	68 Å²	68	46.8 Å²	46.8	35%	0.349	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.6	164.8	-48.9	180	0	0	0	107.6	H66 Y67 R69	H66-I112 WeakPolarHBondContact CA-O 3.28Å; Y67-I112 HydrophobicContact CD1-CD1 3.81Å; Y67-I112 HydrophobicContact CD1-CG1 4.31Å; Y67-I112 PolarHBondContact N-O 3.23Å; Y67-I112 PolarHBondContact O-N 3.1Å; R69-I112 HydrophobicContact CG-CD1 3.97Å; R69-I112 HydrophobicContact CG-CG1 3.91Å; R69-I112 VanDerWaalsContact NE-CD1 3.32Å
113	Q	90.5	Very high	87.4	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.266	C	S	.	.			trans	-133.8	-9.8	-172.1	-158.2	-169	-3.3	0	0	113.8	V64 E105 G115 S116 Y132	V64-Q113 HydrophobicContact CG1-CG 4.22Å; E105-Q113 VanDerWaalsContact OE1-CD 3.26Å; E105-Q113 PolarHBondContact OE1-NE2 3.2Å; E105-Q113 PolarHBondContact OE1-OE1 2.81Å; E105-Q113 PolarHBondContact OE2-NE2 2.87Å; Q113-G115 PolarHBondContact O-N 2.86Å; Q113-S116 VanDerWaalsContact CA-OG 3.31Å; Q113-S116 WeakPolarHBondContact CA-OG 3.32Å; Q113-S116 WeakPolarHBondContact O-CB 3.46Å; Q113-S116 PolarHBondContact O-N 2.83Å; Q113-S116 PolarHBondContact O-OG 3.08Å; Q113-Y132 HydrophobicContact CB-CD1 4.28Å; Q113-Y132 HydrophobicContact CB-CE1 4.29Å; Q113-Y132 HydrophobicContact CG-CD1 4.12Å; Q113-Y132 HydrophobicContact CG-CD2 4.27Å; Q113-Y132 HydrophobicContact CG-CE1 4.38Å; Q113-Y132 HydrophobicContact CG-CE2 4.48Å; Q113-Y132 HydrophobicContact CG-CG 4.06Å; Q113-Y132 VanDerWaalsContact NE2-CD2 3.34Å; Q113-Y132 WeakPolarHBondContact O-CB 3.45Å; Q113-Y132 WeakPolarHBondContact O-CD1 3.17Å
114	L	91.1	Very high	87.3	Confident	128 Å²	128	56.2 Å²	56.2	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	127.6	179.3	-176.5	65.1	0	0	0	109.7	S116 L133	L114-S116 VanDerWaalsContact C-N 3.26Å; L114-L133 VanDerWaalsContact CD1-O 3.25Å; L114-L133 WeakPolarHBondContact CD1-O 3.27Å
115	G	91.6	Very high	87.7	Confident	44 Å²	44	63.1 Å²	63.1	45%	0.454	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.8	-175.9	0	0	0	0	0	114.4	Q113 Y132	Q113-G115 PolarHBondContact O-N 2.86Å; G115-Y132 PolarHBondContact N-O 1.99Å
116	S	93.5	Very high	88.4	Confident	13 Å²	13	64.2 Å²	64.2	9%	0.091	34%	0.335	C	S	.	.			trans	-63.3	132.7	178.9	-71.1	0	0	0	0	111.7	T65 Q113 L114 Y132	T65-S116 WeakPolarHBondContact O-CB 3.28Å; T65-S116 PolarHBondContact O-OG 2.9Å; Q113-S116 VanDerWaalsContact CA-OG 3.31Å; Q113-S116 WeakPolarHBondContact CA-OG 3.32Å; Q113-S116 WeakPolarHBondContact O-CB 3.46Å; Q113-S116 PolarHBondContact O-N 2.83Å; Q113-S116 PolarHBondContact O-OG 3.08Å; L114-S116 VanDerWaalsContact C-N 3.26Å; S116-Y132 PolarHBondContact O-N 2.96Å
117	P	95.1	Very high	89.5	Confident	36 Å²	36	61.2 Å²	61.2	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.8	174.8	31.6	-36.8	0	0	0	110.4	T65 V119 Q128	T65-P117 WeakPolarHBondContact OG1-CD 3.47Å; P117-V119 HydrophobicContact CB-CG2 3.92Å; P117-V119 HydrophobicContact CG-CG2 4.24Å; P117-Q128 HydrophobicContact CB-CG 4.05Å
118	M	95	Very high	90.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.9	161.4	180	179.1	73.4	0	0	108.1	P56 C62 Y63 V64 I81 I101 Q128 Y129 G130 Y151	P56-M118 HydrophobicContact CG-CE 3.99Å; C62-M118 HydrophobicContact CB-CG 4.42Å; Y63-M118 WeakPolarHBondContact O-CA 3.42Å; V64-M118 HydrophobicContact CG2-CB 4.19Å; V64-M118 HydrophobicContact CG2-CG 4.24Å; I81-M118 HydrophobicContact CD1-CE 4.28Å; I81-M118 HydrophobicContact CD1-SD 3.44Å; I81-M118 WeakPolarHBondContact CD1-SD 3.12Å; I101-M118 HydrophobicContact CB-CE 3.95Å; I101-M118 HydrophobicContact CD1-CE 3.72Å; I101-M118 HydrophobicContact CG1-CE 4.45Å; I101-M118 HydrophobicContact CG2-CE 3.6Å; I101-M118 HydrophobicContact CG2-SD 4.27Å; M118-Q128 WeakPolarHBondContact O-CA 3.45Å; M118-Y129 PolarHBondContact O-N 3.21Å; M118-G130 PolarHBondContact N-O 3.49Å; M118-Y151 HydrophobicContact CB-CD1 3.64Å; M118-Y151 HydrophobicContact CB-CE1 3.8Å; M118-Y151 HydrophobicContact CB-CG 4.29Å; M118-Y151 HydrophobicContact SD-CD1 4.31Å; M118-Y151 HydrophobicContact SD-CD2 4.05Å; M118-Y151 HydrophobicContact SD-CE1 4.49Å; M118-Y151 HydrophobicContact SD-CE2 4.26Å; M118-Y151 HydrophobicContact SD-CG 4.11Å
119	V	95.6	Very high	91.2	Very high	24 Å²	24	55.9 Å²	55.9	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.4	-175.8	-178.3	0	0	0	0	108.9	V47 C62 Y63 P117 A126 Y127	V47-V119 HydrophobicContact CB-CG1 4.49Å; V47-V119 HydrophobicContact CG1-CG1 3.94Å; V47-V119 HydrophobicContact CG1-CG2 4.37Å; C62-V119 CarbonylContact C-O 3.53Å; C62-V119 WeakPolarHBondContact CA-O 3.2Å; Y63-V119 PolarHBondContact N-O 3.01Å; Y63-V119 PolarHBondContact O-N 2.93Å; P117-V119 HydrophobicContact CB-CG2 3.92Å; P117-V119 HydrophobicContact CG-CG2 4.24Å; V119-A126 HydrophobicContact CG1-CB 3.76Å; V119-Y127 CarbonylContact C-O 3.56Å; V119-Y127 WeakPolarHBondContact CA-O 3.39Å
120	C	94.3	Very high	91.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	180	-52.9	0	0	0	0	110.6	A60 S61 C62 V122 Y127 Y129	A60-C120 HydrophobicContact CB-CB 4.03Å; S61-C120 WeakPolarHBondContact O-CA 3.46Å; C62-C120 HydrophobicContact CB-CB 4.09Å; C62-C120 WeakPolarHBondContact CB-SG 3.36Å; C62-C120 WeakPolarHBondContact SG-CB 3.35Å; C62-C120 CovalentContact SG-SG 2.05Å; C62-C120 PolarHBondContact SG-SG 3.43Å; C120-V122 HydrophobicContact CB-CG2 4.46Å; C120-Y127 PolarHBondContact N-O 2.68Å; C120-Y127 PolarHBondContact O-N 3.17Å; C120-Y129 HydrophobicContact CB-CD2 3.77Å; C120-Y129 HydrophobicContact CB-CE2 3.83Å
121	I	91	Very high	92.2	Very high	67 Å²	67	44.1 Å²	44.1	34%	0.344	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.7	172.8	-52.3	-55.7	0	0	0	108.4	S61 Y63 R125 A126	S61-I121 PolarHBondContact O-N 2.71Å; Y63-I121 HydrophobicContact CD2-CG1 4.37Å; Y63-I121 HydrophobicContact CE2-CG1 4Å; I121-R125 CarbonylContact C-O 3.51Å; I121-R125 WeakPolarHBondContact CA-O 3.39Å; I121-A126 HydrophobicContact CD1-CB 3.68Å
122	V	89.1	Confident	92.4	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.5	-179.5	-176.9	0	0	0	0	106.9	P57 Y59 A60 C120 G124 R125 Y127 Y129	P57-V122 HydrophobicContact CG-CG1 4.02Å; P57-V122 HydrophobicContact CG-CG2 3.93Å; Y59-V122 HydrophobicContact CE2-CG1 4.02Å; A60-V122 HydrophobicContact CB-CG2 3.91Å; C120-V122 HydrophobicContact CB-CG2 4.46Å; V122-G124 VanDerWaalsContact C-N 3.25Å; V122-G124 PolarHBondContact O-N 2.96Å; V122-R125 PolarHBondContact N-O 2.65Å; V122-R125 PolarHBondContact O-N 3.48Å; V122-Y127 HydrophobicContact CB-CD2 3.85Å; V122-Y127 HydrophobicContact CB-CE2 3.99Å; V122-Y127 HydrophobicContact CG2-CD2 4.16Å; V122-Y129 HydrophobicContact CG2-CE2 4.26Å
123	H	84.8	Confident	92.4	Very high	129 Å²	129	41.7 Å²	41.7	60%	0.597	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	44	-176.5	-53	115.5	0	0	0	113.5	Y59 R125 Y525	Y59-H123 AromaticContact CZ-CE1 3.91Å; Y59-H123 AromaticContact CZ-NE2 3.97Å; Y59-H123 PolarHBondContact OH-CE1 2.83Å; H123-R125 PolarHBondContact O-N 3.23Å; H123-Y525 AromaticContact NE2-CZ 3.96Å; H123-Y525 PolarHBondContact NE2-OH 3.48Å
124	G	85.7	Confident	92.2	Very high	71 Å²	71	45.5 Å²	45.5	73%	0.732	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	3.6	-179.7	0	0	0	0	0	115.5	V122	V122-G124 VanDerWaalsContact C-N 3.25Å; V122-G124 PolarHBondContact O-N 2.96Å
125	R	91.9	Very high	91.9	Very high	161 Å²	161	41.4 Å²	41.4	61%	0.608	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.9	176.3	-66	-176	-175.3	-158.2	2.8	111.2	I121 V122 H123 Y127	I121-R125 CarbonylContact C-O 3.51Å; I121-R125 WeakPolarHBondContact CA-O 3.39Å; V122-R125 PolarHBondContact N-O 2.65Å; V122-R125 PolarHBondContact O-N 3.48Å; H123-R125 PolarHBondContact O-N 3.23Å; R125-Y127 HydrophobicContact CB-CD2 4.3Å; R125-Y127 HydrophobicContact CB-CE2 3.55Å; R125-Y127 WeakPolarHBondContact O-CD2 3.38Å
126	A	94.3	Very high	91.3	Very high	30 Å²	30	41.4 Å²	41.4	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.2	179.7	0	0	0	0	0	111.2	V47 C48 V119 I121	V47-A126 HydrophobicContact CB-CB 4.4Å; V47-A126 HydrophobicContact CG1-CB 3.95Å; C48-A126 PolarHBondContact N-O 3.26Å; V119-A126 HydrophobicContact CG1-CB 3.76Å; I121-A126 HydrophobicContact CD1-CB 3.68Å
127	Y	96.5	Very high	90.4	Very high	57 Å²	57	44.6 Å²	44.6	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.4	177.7	-65.6	-92	0	0	0	111.2	C48 V119 C120 V122 R125	C48-Y127 HydrophobicContact CB-CD1 3.4Å; C48-Y127 VanDerWaalsContact CB-CD1 3.4Å; C48-Y127 HydrophobicContact CB-CE1 3.53Å; C48-Y127 HydrophobicContact CB-CG 4.14Å; C48-Y127 CarbonylContact O-C 3.55Å; C48-Y127 VanDerWaalsContact O-CA 3.29Å; C48-Y127 WeakPolarHBondContact O-CA 3.35Å; V119-Y127 CarbonylContact C-O 3.56Å; V119-Y127 WeakPolarHBondContact CA-O 3.39Å; C120-Y127 PolarHBondContact N-O 2.68Å; C120-Y127 PolarHBondContact O-N 3.17Å; V122-Y127 HydrophobicContact CB-CD2 3.85Å; V122-Y127 HydrophobicContact CB-CE2 3.99Å; V122-Y127 HydrophobicContact CG2-CD2 4.16Å; R125-Y127 HydrophobicContact CB-CD2 4.3Å; R125-Y127 HydrophobicContact CB-CE2 3.55Å; R125-Y127 WeakPolarHBondContact O-CD2 3.38Å
128	Q	96.3	Very high	89.1	Confident	36 Å²	36	45.8 Å²	45.8	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.6	170	-173.5	176.8	-8.8	0	0	109.9	V47 C48 A50 P117 M118 I154	V47-Q128 HydrophobicContact CG2-CB 4.01Å; C48-Q128 PolarHBondContact O-N 2.88Å; A50-Q128 WeakPolarHBondContact CB-O 3.23Å; A50-Q128 PolarHBondContact N-O 3.45Å; P117-Q128 HydrophobicContact CB-CG 4.05Å; M118-Q128 WeakPolarHBondContact O-CA 3.45Å; Q128-I154 HydrophobicContact CG-CD1 4.11Å
129	Y	95	Very high	87.6	Confident	17 Å²	17	51.4 Å²	51.4	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-27.4	179.6	-83	-89.7	0	0	0	113.2	A50 S54 V55 P56 P57 M118 C120 V122 I154	A50-Y129 HydrophobicContact CB-CD1 3.43Å; A50-Y129 VanDerWaalsContact CB-CD1 3.43Å; A50-Y129 HydrophobicContact CB-CD2 3.99Å; A50-Y129 HydrophobicContact CB-CE1 3.47Å; A50-Y129 VanDerWaalsContact CB-CE1 3.47Å; A50-Y129 HydrophobicContact CB-CE2 4.02Å; A50-Y129 HydrophobicContact CB-CG 3.71Å; S54-Y129 WeakPolarHBondContact O-CD1 3.29Å; S54-Y129 WeakPolarHBondContact OG-CE1 3.42Å; V55-Y129 VanDerWaalsContact O-CE1 3.31Å; V55-Y129 WeakPolarHBondContact O-CE1 2.75Å; P56-Y129 HydrophobicContact CB-CD2 4.39Å; P56-Y129 HydrophobicContact CB-CE2 4.42Å; P56-Y129 HydrophobicContact CB-CG 4.43Å; P56-Y129 VanDerWaalsContact CD-CD1 3.48Å; P56-Y129 HydrophobicContact CG-CD1 3.81Å; P56-Y129 HydrophobicContact CG-CD2 3.96Å; P56-Y129 HydrophobicContact CG-CE1 4.3Å; P56-Y129 HydrophobicContact CG-CE2 4.43Å; P56-Y129 HydrophobicContact CG-CG 3.61Å; P56-Y129 VanDerWaalsContact N-CE1 3.3Å; P57-Y129 WeakPolarHBondContact CD-OH 3.08Å; M118-Y129 PolarHBondContact O-N 3.21Å; C120-Y129 HydrophobicContact CB-CD2 3.77Å; C120-Y129 HydrophobicContact CB-CE2 3.83Å; V122-Y129 HydrophobicContact CG2-CE2 4.26Å; Y129-I154 PolarHBondContact O-N 2.95Å
130	G	93.6	Very high	85.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	176.6	179.8	0	0	0	0	0	114.9	M118 S152	M118-G130 PolarHBondContact N-O 3.49Å; G130-S152 CarbonylContact C-O 3.55Å; G130-S152 WeakPolarHBondContact CA-O 3.3Å
131	V	93.7	Very high	83.8	Confident	13 Å²	13	55.5 Å²	55.5	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.8	-179	179.7	0	0	0	0	108.7	V29 L133 Y151 S152	V29-V131 HydrophobicContact CG1-CG2 4.22Å; V29-V131 HydrophobicContact CG2-CB 4.15Å; V29-V131 HydrophobicContact CG2-CG2 4.21Å; V131-L133 HydrophobicContact CG1-CD2 4.46Å; V131-L133 PolarHBondContact O-N 3.04Å; V131-Y151 CarbonylContact O-C 3.3Å; V131-Y151 VanDerWaalsContact O-CA 3.26Å; V131-Y151 WeakPolarHBondContact O-CA 3.32Å; V131-S152 PolarHBondContact N-O 3.09Å; V131-S152 PolarHBondContact O-N 3.18Å
132	Y	93	Very high	82.3	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.9	-178	-178.9	-85.4	0	0	0	110.9	Q113 G115 S116 N134 Q135 Y151	Q113-Y132 HydrophobicContact CB-CD1 4.28Å; Q113-Y132 HydrophobicContact CB-CE1 4.29Å; Q113-Y132 HydrophobicContact CG-CD1 4.12Å; Q113-Y132 HydrophobicContact CG-CD2 4.27Å; Q113-Y132 HydrophobicContact CG-CE1 4.38Å; Q113-Y132 HydrophobicContact CG-CE2 4.48Å; Q113-Y132 HydrophobicContact CG-CG 4.06Å; Q113-Y132 VanDerWaalsContact NE2-CD2 3.34Å; Q113-Y132 WeakPolarHBondContact O-CB 3.45Å; Q113-Y132 WeakPolarHBondContact O-CD1 3.17Å; G115-Y132 PolarHBondContact N-O 1.99Å; S116-Y132 PolarHBondContact O-N 2.96Å; Y132-N134 VanDerWaalsContact CZ-C 3.48Å; Y132-N134 VanDerWaalsContact OH-C 3.24Å; Y132-Q135 WeakPolarHBondContact OH-CB 3.29Å; Y132-Q135 PolarHBondContact OH-N 2.64Å; Y132-Q135 VanDerWaalsContact OH-N 3.11Å; Y132-Y151 HydrophobicContact CD2-CD1 4.36Å; Y132-Y151 AromaticContact CD2-CE1 3.75Å; Y132-Y151 HydrophobicContact CD2-CE1 3.75Å; Y132-Y151 HydrophobicContact CD2-CE2 4.32Å; Y132-Y151 AromaticContact CD2-CZ 3.7Å; Y132-Y151 HydrophobicContact CG-CE1 4.16Å
133	L	89.6	Confident	80.6	Confident	32 Å²	32	67.8 Å²	67.8	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-41.7	177.5	-58.5	-169.7	0	0	0	113	L18 G28 L114 V131 F150	L18-L133 HydrophobicContact CD1-CD1 3.37Å; G28-L133 WeakPolarHBondContact O-CD2 3.2Å; L114-L133 VanDerWaalsContact CD1-O 3.25Å; L114-L133 WeakPolarHBondContact CD1-O 3.27Å; V131-L133 HydrophobicContact CG1-CD2 4.46Å; V131-L133 PolarHBondContact O-N 3.04Å; L133-F150 HydrophobicContact CB-CD1 4.18Å; L133-F150 HydrophobicContact CD1-CE1 4.21Å; L133-F150 PolarHBondContact N-O 2.93Å
134	N	85.7	Confident	79.2	Confident	82 Å²	82	62.8 Å²	62.8	44%	0.439	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	164	-174.1	-160.4	10.7	0	0	0	112.7	Y132 F150	Y132-N134 VanDerWaalsContact CZ-C 3.48Å; Y132-N134 VanDerWaalsContact OH-C 3.24Å; N134-F150 PolarHBondContact N-O 3.24Å; N134-F150 WeakPolarHBondContact O-CB 3.49Å; N134-F150 PolarHBondContact O-N 2.91Å
135	Q	84.7	Confident	78.2	Confident	42 Å²	42	64.4 Å²	64.4	20%	0.196	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.6	167	-169.5	169.5	58.7	0	0	109	E105 K107 Y132 K147 L148	E105-Q135 PolarHBondContact O-NE2 2.96Å; K107-Q135 VanDerWaalsContact CB-NE2 3.26Å; Y132-Q135 WeakPolarHBondContact OH-CB 3.29Å; Y132-Q135 PolarHBondContact OH-N 2.64Å; Y132-Q135 VanDerWaalsContact OH-N 3.11Å; Q135-K147 HydrophobicContact CG-CB 4.2Å; Q135-L148 CarbonylContact C-O 3.51Å; Q135-L148 WeakPolarHBondContact CA-O 3.45Å
136	L	79.7	Confident	77.2	Confident	44 Å²	44	57.4 Å²	57.4	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144.4	171.4	-54.4	174.2	0	0	0	109.1	L88 K147 L148 F150	L88-L136 HydrophobicContact CD1-CD1 3.5Å; L88-L136 VanDerWaalsContact CD1-CD1 3.5Å; L88-L136 HydrophobicContact CD1-CD2 4.18Å; L88-L136 HydrophobicContact CD1-CG 4.49Å; L88-L136 HydrophobicContact CG-CD1 4.13Å; L136-K147 WeakPolarHBondContact O-CA 3.42Å; L136-L148 HydrophobicContact CB-CB 4.36Å; L136-L148 PolarHBondContact N-O 2.92Å; L136-L148 PolarHBondContact O-N 3.13Å; L136-F150 HydrophobicContact CD1-CB 3.84Å; L136-F150 HydrophobicContact CD1-CD2 3.89Å; L136-F150 HydrophobicContact CD1-CG 4.18Å; L136-F150 HydrophobicContact CD2-CB 4.47Å; L136-F150 HydrophobicContact CG-CB 3.85Å
137	S	74.1	Confident	76.5	Confident	80 Å²	80	60.7 Å²	60.7	56%	0.559	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.7	169.1	-64.5	0	0	0	0	107.8	Q146	S137-Q146 CarbonylContact C-O 3.45Å; S137-Q146 WeakPolarHBondContact CA-O 3.4Å
138	L	66.9	Low	75.9	Confident	61 Å²	61	58.2 Å²	58.2	32%	0.319	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.7	179	-159.4	140	0	0	0	108.5	I140 Q146 L148	L138-I140 HydrophobicContact CD2-CD1 4.08Å; L138-I140 HydrophobicContact CD2-CG1 3.33Å; L138-I140 PolarHBondContact O-N 3.36Å; L138-Q146 PolarHBondContact N-O 2.9Å; L138-Q146 PolarHBondContact O-N 3.5Å; L138-L148 HydrophobicContact CB-CD1 4.24Å; L138-L148 HydrophobicContact CD1-CD1 4.05Å
139	K	64.6	Low	75.5	Confident	119 Å²	119	56.5 Å²	56.5	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.1	174.8	-82.1	-179.1	-179.9	-176.4	0	109.1	V144 N145	K139-V144 CarbonylContact C-O 3.52Å; K139-V144 WeakPolarHBondContact CA-O 3.37Å; K139-N145 WeakPolarHBondContact CG-OD1 3.48Å
140	I	56.9	Low	75.3	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.1	176	-51	155.9	0	0	0	107.5	L138 N142 R143 V144 Q146 Y555 T558	L138-I140 HydrophobicContact CD2-CD1 4.08Å; L138-I140 HydrophobicContact CD2-CG1 3.33Å; L138-I140 PolarHBondContact O-N 3.36Å; I140-N142 PolarHBondContact O-N 2.82Å; I140-N142 VanDerWaalsContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 3.41Å; I140-R143 VanDerWaalsContact O-N 3.09Å; I140-V144 HydrophobicContact CB-CB 3.98Å; I140-V144 HydrophobicContact CB-CG2 4.08Å; I140-V144 HydrophobicContact CD1-CB 4.22Å; I140-V144 HydrophobicContact CD1-CG1 4.33Å; I140-V144 PolarHBondContact N-O 3.48Å; I140-V144 PolarHBondContact O-N 3.27Å; I140-Q146 HydrophobicContact CD1-CB 4.28Å; I140-Y555 HydrophobicContact CG2-CD2 3.48Å; I140-Y555 VanDerWaalsContact CG2-CD2 3.48Å; I140-Y555 HydrophobicContact CG2-CE2 3.62Å; I140-Y555 HydrophobicContact CG2-CG 4.37Å; I140-T558 HydrophobicContact CD1-CG2 3.88Å; I140-T558 WeakPolarHBondContact CD1-OG1 3.3Å
141	N	53.2	Low	75.2	Confident	99 Å²	99	55.9 Å²	55.9	53%	0.529	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	33.6	178.1	-62.7	-23.4	0	0	0	114.8	R143 Y555	N141-R143 PolarHBondContact O-N 3.43Å; N141-Y555 WeakPolarHBondContact ND2-CE2 3.18Å; N141-Y555 PolarHBondContact ND2-OH 3.17Å; N141-Y555 PolarHBondContact OD1-OH 3.12Å
142	N	58	Low	75	Confident	147 Å²	147	55.4 Å²	55.4	79%	0.786	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	9.4	-175.5	-73.7	-8.6	0	0	0	116	I140	I140-N142 PolarHBondContact O-N 2.82Å; I140-N142 VanDerWaalsContact O-N 3.12Å
143	R	53.7	Low	74.9	Confident	189 Å²	189	56.1 Å²	56.1	71%	0.713	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-39	-174.3	-66.3	-176.5	-175.3	-177.7	1	113.7	I140 N141	I140-R143 PolarHBondContact O-N 3.41Å; I140-R143 VanDerWaalsContact O-N 3.09Å; N141-R143 PolarHBondContact O-N 3.43Å
144	V	55.1	Low	75	Confident	23 Å²	23	54.8 Å²	54.8	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	176.8	-161.9	0	0	0	0	109	K139 I140 S626	K139-V144 CarbonylContact C-O 3.52Å; K139-V144 WeakPolarHBondContact CA-O 3.37Å; I140-V144 HydrophobicContact CB-CB 3.98Å; I140-V144 HydrophobicContact CB-CG2 4.08Å; I140-V144 HydrophobicContact CD1-CB 4.22Å; I140-V144 HydrophobicContact CD1-CG1 4.33Å; I140-V144 PolarHBondContact N-O 3.48Å; I140-V144 PolarHBondContact O-N 3.27Å; V144-S626 WeakPolarHBondContact CA-OG 3.4Å; V144-S626 WeakPolarHBondContact CG2-OG 3.5Å; V144-S626 PolarHBondContact N-OG 2.95Å
145	N	65.1	Low	75	Confident	105 Å²	105	51.9 Å²	51.9	56%	0.561	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	102.4	162.5	-70.8	-53.7	0	0	0	108.5	K139	K139-N145 WeakPolarHBondContact CG-OD1 3.48Å
146	Q	70.5	Confident	74.9	Confident	14 Å²	14	50.5 Å²	50.5	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.7	170.9	-177.4	153	-21.8	0	0	110.1	V104 S137 L138 I140 L148 S557	V104-Q146 VanDerWaalsContact CG2-NE2 3.34Å; S137-Q146 CarbonylContact C-O 3.45Å; S137-Q146 WeakPolarHBondContact CA-O 3.4Å; L138-Q146 PolarHBondContact N-O 2.9Å; L138-Q146 PolarHBondContact O-N 3.5Å; I140-Q146 HydrophobicContact CD1-CB 4.28Å; Q146-L148 HydrophobicContact CG-CD2 3.94Å; Q146-L148 HydrophobicContact CG-CG 4.39Å; Q146-S557 PolarHBondContact NE2-O 2.99Å; Q146-S557 VanDerWaalsContact NE2-O 3.11Å; Q146-S557 PolarHBondContact OE1-O 3.01Å; Q146-S557 VanDerWaalsContact OE1-O 3.07Å
147	K	81.5	Confident	75.3	Confident	99 Å²	99	49 Å²	49	43%	0.43	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.7	175	-68.2	-177.4	176.8	-173.1	0	109.6	E105 Q135 L136	E105-K147 PolarHBondContact N-O 3.27Å; E105-K147 WeakPolarHBondContact O-CB 3.24Å; Q135-K147 HydrophobicContact CG-CB 4.2Å; L136-K147 WeakPolarHBondContact O-CA 3.42Å
148	L	83.4	Confident	76	Confident	6 Å²	6	47 Å²	47	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.6	178.3	-57.7	175.5	0	0	0	108.9	T82 A103 V104 Q135 L136 L138 Q146	T82-L148 HydrophobicContact CG2-CD2 4.45Å; A103-L148 CarbonylContact O-C 3.46Å; A103-L148 VanDerWaalsContact O-CA 3.3Å; A103-L148 WeakPolarHBondContact O-CA 3.36Å; V104-L148 HydrophobicContact CB-CD2 4.48Å; V104-L148 HydrophobicContact CG2-CD2 3.97Å; Q135-L148 CarbonylContact C-O 3.51Å; Q135-L148 WeakPolarHBondContact CA-O 3.45Å; L136-L148 HydrophobicContact CB-CB 4.36Å; L136-L148 PolarHBondContact N-O 2.92Å; L136-L148 PolarHBondContact O-N 3.13Å; L138-L148 HydrophobicContact CB-CD1 4.24Å; L138-L148 HydrophobicContact CD1-CD1 4.05Å; Q146-L148 HydrophobicContact CG-CD2 3.94Å; Q146-L148 HydrophobicContact CG-CG 4.39Å
149	G	88.3	Confident	76.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132	164.1	0	0	0	0	0	109.2	C102 A103 Y151	C102-G149 WeakPolarHBondContact CA-O 2.92Å; A103-G149 PolarHBondContact N-O 2.91Å; A103-G149 PolarHBondContact O-N 3.47Å; G149-Y151 WeakPolarHBondContact O-CE2 3.27Å
150	F	89.7	Confident	77.6	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.9	176.4	176.3	-87.2	0	0	0	110.4	L88 F98 L133 N134 L136	L88-F150 HydrophobicContact CD1-CD2 4.1Å; L88-F150 HydrophobicContact CD1-CE2 4.2Å; F98-F150 HydrophobicContact CD1-CE2 4.2Å; F98-F150 HydrophobicContact CD1-CZ 4.1Å; F98-F150 HydrophobicContact CE1-CD1 4.45Å; F98-F150 HydrophobicContact CE1-CD2 4.01Å; F98-F150 AromaticContact CE1-CE1 3.76Å; F98-F150 HydrophobicContact CE1-CE1 3.76Å; F98-F150 AromaticContact CE1-CE2 3.17Å; F98-F150 HydrophobicContact CE1-CE2 3.17Å; F98-F150 AromaticContact CE1-CZ 3.05Å; F98-F150 HydrophobicContact CE1-CZ 3.05Å; F98-F150 AromaticContact CE2-CE1 3.8Å; F98-F150 HydrophobicContact CE2-CE1 3.8Å; F98-F150 AromaticContact CE2-CZ 3.66Å; F98-F150 HydrophobicContact CE2-CZ 3.66Å; F98-F150 AromaticContact CZ-CD1 3.87Å; F98-F150 HydrophobicContact CZ-CD1 3.87Å; F98-F150 HydrophobicContact CZ-CD2 4.24Å; F98-F150 AromaticContact CZ-CE1 3.07Å; F98-F150 HydrophobicContact CZ-CE1 3.07Å; F98-F150 AromaticContact CZ-CE2 3.48Å; F98-F150 HydrophobicContact CZ-CE2 3.48Å; F98-F150 VanDerWaalsContact CZ-CE2 3.48Å; F98-F150 HydrophobicContact CZ-CG 4.42Å; F98-F150 AromaticContact CZ-CZ 2.84Å; F98-F150 HydrophobicContact CZ-CZ 2.84Å; L133-F150 HydrophobicContact CB-CD1 4.18Å; L133-F150 HydrophobicContact CD1-CE1 4.21Å; L133-F150 PolarHBondContact N-O 2.93Å; N134-F150 PolarHBondContact N-O 3.24Å; N134-F150 WeakPolarHBondContact O-CB 3.49Å; N134-F150 PolarHBondContact O-N 2.91Å; L136-F150 HydrophobicContact CD1-CB 3.84Å; L136-F150 HydrophobicContact CD1-CD2 3.89Å; L136-F150 HydrophobicContact CD1-CG 4.18Å; L136-F150 HydrophobicContact CD2-CB 4.47Å; L136-F150 HydrophobicContact CG-CB 3.85Å
151	Y	91.9	Very high	79	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.2	-177.1	-54.6	-99.5	0	0	0	110.1	V64 G100 I101 A103 E105 M118 V131 Y132 G149	V64-Y151 HydrophobicContact CG1-CE1 4.32Å; V64-Y151 HydrophobicContact CG2-CE1 3.8Å; V64-Y151 WeakPolarHBondContact CG2-OH 3.49Å; G100-Y151 CarbonylContact C-O 3.57Å; G100-Y151 WeakPolarHBondContact CA-O 3.2Å; I101-Y151 PolarHBondContact N-O 2.91Å; I101-Y151 WeakPolarHBondContact O-CD2 3.33Å; I101-Y151 PolarHBondContact O-N 2.83Å; A103-Y151 HydrophobicContact CB-CE2 3.8Å; E105-Y151 PolarHBondContact OE2-OH 2.89Å; M118-Y151 HydrophobicContact CB-CD1 3.64Å; M118-Y151 HydrophobicContact CB-CE1 3.8Å; M118-Y151 HydrophobicContact CB-CG 4.29Å; M118-Y151 HydrophobicContact SD-CD1 4.31Å; M118-Y151 HydrophobicContact SD-CD2 4.05Å; M118-Y151 HydrophobicContact SD-CE1 4.49Å; M118-Y151 HydrophobicContact SD-CE2 4.26Å; M118-Y151 HydrophobicContact SD-CG 4.11Å; V131-Y151 CarbonylContact O-C 3.3Å; V131-Y151 VanDerWaalsContact O-CA 3.26Å; V131-Y151 WeakPolarHBondContact O-CA 3.32Å; Y132-Y151 HydrophobicContact CD2-CD1 4.36Å; Y132-Y151 AromaticContact CD2-CE1 3.75Å; Y132-Y151 HydrophobicContact CD2-CE1 3.75Å; Y132-Y151 HydrophobicContact CD2-CE2 4.32Å; Y132-Y151 AromaticContact CD2-CZ 3.7Å; Y132-Y151 HydrophobicContact CG-CE1 4.16Å; G149-Y151 WeakPolarHBondContact O-CE2 3.27Å
152	S	90.1	Very high	80.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.2	169.1	-179.1	0	0	0	0	109.8	G130 V131	G130-S152 CarbonylContact C-O 3.55Å; G130-S152 WeakPolarHBondContact CA-O 3.3Å; V131-S152 PolarHBondContact N-O 3.09Å; V131-S152 PolarHBondContact O-N 3.18Å
153	E	90.2	Very high	81.6	Confident	18 Å²	18	43 Å²	43	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	142.2	176.5	-68.1	-171.3	179.5	0	0	111.3	R86 R99 I101 T155	R86-E153 IonicContact NE-OE1 3.52Å; R99-E153 WeakPolarHBondContact CG-OE1 3.2Å; R99-E153 IonicContact CZ-OE1 3.5Å; R99-E153 IonicContact CZ-OE2 3.67Å; R99-E153 IonicContact NE-OE1 2.73Å; R99-E153 PolarHBondContact NE-OE1 3.29Å; R99-E153 IonicContact NE-OE2 3.41Å; R99-E153 PolarHBondContact NE-OE2 2.87Å; R99-E153 IonicContact NH1-OE1 3.52Å; R99-E153 IonicContact NH1-OE2 3.02Å; R99-E153 PolarHBondContact NH1-OE2 2.79Å; I101-E153 HydrophobicContact CD1-CG 4.32Å; I101-E153 HydrophobicContact CG1-CG 4.16Å; E153-T155 PolarHBondContact O-N 3Å; E153-T155 VanDerWaalsContact O-N 3.08Å
154	I	91.1	Very high	82.8	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10	178.5	-155.4	64.1	0	0	0	113.5	L49 A50 Q128 Y129 I156 V157	L49-I154 HydrophobicContact CD2-CD1 4.01Å; L49-I154 HydrophobicContact CD2-CG1 3.75Å; A50-I154 HydrophobicContact CB-CG2 4.06Å; Q128-I154 HydrophobicContact CG-CD1 4.11Å; Y129-I154 PolarHBondContact O-N 2.95Å; I154-I156 PolarHBondContact O-N 3.24Å; I154-I156 VanDerWaalsContact O-N 3.09Å; I154-V157 HydrophobicContact CD1-CB 4.12Å; I154-V157 HydrophobicContact CD1-CG2 3.58Å; I154-V157 HydrophobicContact CG1-CB 4.21Å; I154-V157 HydrophobicContact CG1-CG2 4.19Å; I154-V157 WeakPolarHBondContact O-CB 3.18Å; I154-V157 PolarHBondContact O-N 2.82Å
155	T	87.1	Confident	83.5	Confident	20 Å²	20	48.5 Å²	48.5	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-47.8	-39.3	178.4	-54.2	0	0	0	0	112.3	E53 E153 V157 H158 E159	E53-T155 HydrophobicContact CG-CG2 4.26Å; E53-T155 PolarHBondContact N-OG1 2.65Å; E53-T155 VanDerWaalsContact N-OG1 3.14Å; E153-T155 PolarHBondContact O-N 3Å; E153-T155 VanDerWaalsContact O-N 3.08Å; T155-V157 VanDerWaalsContact C-N 3.25Å; T155-V157 PolarHBondContact O-N 2.69Å; T155-H158 WeakPolarHBondContact O-CB 3.47Å; T155-H158 PolarHBondContact O-N 2.69Å; T155-H158 VanDerWaalsContact O-N 3.1Å; T155-E159 PolarHBondContact O-N 2.89Å
156	I	81.2	Confident	83.9	Confident	14 Å²	14	44.3 Å²	44.3	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-35.5	177.4	-163.6	169.2	0	0	0	112.8	L18 V29 I154 E159 V160 V166	L18-I156 HydrophobicContact CD2-CD1 4.27Å; V29-I156 HydrophobicContact CB-CG2 3.92Å; V29-I156 HydrophobicContact CG2-CG2 3.68Å; I154-I156 PolarHBondContact O-N 3.24Å; I154-I156 VanDerWaalsContact O-N 3.09Å; I156-E159 PolarHBondContact O-N 2.97Å; I156-V160 VanDerWaalsContact O-CG2 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.26Å; I156-V160 PolarHBondContact O-N 3.29Å; I156-V160 VanDerWaalsContact O-N 3.08Å; I156-V166 HydrophobicContact CD1-CG1 3.84Å; I156-V166 HydrophobicContact CG1-CG1 3.65Å
157	V	88.3	Confident	84	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-36.5	179.1	-179.6	0	0	0	0	111	V29 I31 L49 I154 T155 E159 V160 F161	V29-V157 HydrophobicContact CG1-CG2 4.19Å; I31-V157 HydrophobicContact CD1-CG1 4.22Å; I31-V157 HydrophobicContact CD1-CG2 4.3Å; L49-V157 HydrophobicContact CD1-CG1 3.84Å; L49-V157 HydrophobicContact CD2-CG1 4.42Å; I154-V157 HydrophobicContact CD1-CB 4.12Å; I154-V157 HydrophobicContact CD1-CG2 3.58Å; I154-V157 HydrophobicContact CG1-CB 4.21Å; I154-V157 HydrophobicContact CG1-CG2 4.19Å; I154-V157 WeakPolarHBondContact O-CB 3.18Å; I154-V157 PolarHBondContact O-N 2.82Å; T155-V157 VanDerWaalsContact C-N 3.25Å; T155-V157 PolarHBondContact O-N 2.69Å; V157-E159 VanDerWaalsContact C-N 3.35Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-F161 HydrophobicContact CG1-CD2 3.82Å; V157-F161 HydrophobicContact CG1-CE1 4.38Å; V157-F161 HydrophobicContact CG1-CE2 3.44Å; V157-F161 VanDerWaalsContact CG1-CE2 3.44Å; V157-F161 HydrophobicContact CG1-CG 4.45Å; V157-F161 HydrophobicContact CG1-CZ 3.75Å; V157-F161 WeakPolarHBondContact O-CB 3.14Å; V157-F161 WeakPolarHBondContact O-CG 3.28Å; V157-F161 PolarHBondContact O-N 2.99Å
158	H	89.1	Confident	83.3	Confident	40 Å²	40	45.6 Å²	45.6	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-39.6	173.8	-78.7	-78.5	0	0	0	112.5	A50 R52 T155 A162	A50-H158 PolarHBondContact O-NE2 3.25Å; R52-H158 HydrophobicContact CG-CB 3.82Å; T155-H158 WeakPolarHBondContact O-CB 3.47Å; T155-H158 PolarHBondContact O-N 2.69Å; T155-H158 VanDerWaalsContact O-N 3.1Å; H158-A162 VanDerWaalsContact O-CB 3.23Å; H158-A162 WeakPolarHBondContact O-CB 3.28Å; H158-A162 PolarHBondContact O-N 2.87Å
159	E	83.1	Confident	82.4	Confident	67 Å²	67	47.6 Å²	47.6	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-43.9	177.8	-67.7	179.2	163.2	0	0	111	T155 I156 V157 A162 G163 R164 V166	T155-E159 PolarHBondContact O-N 2.89Å; I156-E159 PolarHBondContact O-N 2.97Å; V157-E159 VanDerWaalsContact C-N 3.35Å; E159-A162 CarbonylContact O-C 3.52Å; E159-A162 PolarHBondContact O-N 2.78Å; E159-G163 PolarHBondContact O-N 2.74Å; E159-R164 HydrophobicContact CB-CB 4.23Å; E159-R164 WeakPolarHBondContact O-CB 3.47Å; E159-R164 PolarHBondContact O-N 2.93Å; E159-V166 HydrophobicContact CB-CG2 3.59Å
160	V	82.1	Confident	81	Confident	25 Å²	25	53 Å²	53	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-49.1	175.9	173	0	0	0	0	111.5	Y16 I31 I156 V157 A162 G163 V166	Y16-V160 HydrophobicContact CD1-CG2 3.68Å; Y16-V160 HydrophobicContact CD2-CG2 3.92Å; Y16-V160 HydrophobicContact CE1-CB 4.47Å; Y16-V160 HydrophobicContact CE1-CG1 4.28Å; Y16-V160 HydrophobicContact CE1-CG2 3.37Å; Y16-V160 HydrophobicContact CE2-CB 4.4Å; Y16-V160 HydrophobicContact CE2-CG1 3.95Å; Y16-V160 HydrophobicContact CE2-CG2 3.63Å; Y16-V160 HydrophobicContact CG-CG2 3.93Å; Y16-V160 WeakPolarHBondContact OH-CG1 3.35Å; I31-V160 HydrophobicContact CD1-CB 4.01Å; I31-V160 HydrophobicContact CD1-CG1 3.81Å; I31-V160 HydrophobicContact CD1-CG2 4.2Å; I156-V160 VanDerWaalsContact O-CG2 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.26Å; I156-V160 PolarHBondContact O-N 3.29Å; I156-V160 VanDerWaalsContact O-N 3.08Å; V157-V160 PolarHBondContact O-N 3.09Å; V160-A162 PolarHBondContact O-N 3.36Å; V160-G163 PolarHBondContact O-N 2.92Å; V160-V166 HydrophobicContact CG2-CB 4.32Å; V160-V166 HydrophobicContact CG2-CG2 3.94Å
161	F	86.1	Confident	79.2	Confident	139 Å²	139	58.4 Å²	58.4	61%	0.61	33%	0.328	S	S	*	.	H	α-helix	trans	-68.4	-23	179.9	-68	-16.8	0	0	0	113.2	I31 L49 V157 G163	I31-F161 HydrophobicContact CD1-CE1 4.33Å; I31-F161 HydrophobicContact CG2-CE1 4.41Å; L49-F161 HydrophobicContact CD1-CD2 4.06Å; L49-F161 HydrophobicContact CD1-CE2 3.92Å; V157-F161 HydrophobicContact CG1-CD2 3.82Å; V157-F161 HydrophobicContact CG1-CE1 4.38Å; V157-F161 HydrophobicContact CG1-CE2 3.44Å; V157-F161 VanDerWaalsContact CG1-CE2 3.44Å; V157-F161 HydrophobicContact CG1-CG 4.45Å; V157-F161 HydrophobicContact CG1-CZ 3.75Å; V157-F161 WeakPolarHBondContact O-CB 3.14Å; V157-F161 WeakPolarHBondContact O-CG 3.28Å; V157-F161 PolarHBondContact O-N 2.99Å; F161-G163 VanDerWaalsContact C-N 3.26Å
162	A	86.5	Confident	76.9	Confident	56 Å²	56	69.2 Å²	69.2	46%	0.463	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.5	170.9	0	0	0	0	0	113.7	H158 E159 V160 R164	H158-A162 VanDerWaalsContact O-CB 3.23Å; H158-A162 WeakPolarHBondContact O-CB 3.28Å; H158-A162 PolarHBondContact O-N 2.87Å; E159-A162 CarbonylContact O-C 3.52Å; E159-A162 PolarHBondContact O-N 2.78Å; V160-A162 PolarHBondContact O-N 3.36Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 HydrophobicContact CB-CG 4.46Å; A162-R164 PolarHBondContact O-N 2.92Å
163	G	79.6	Confident	74.2	Confident	65 Å²	65	73.2 Å²	73.2	67%	0.67	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	19.3	180	0	0	0	0	0	114.5	E159 V160 F161	E159-G163 PolarHBondContact O-N 2.74Å; V160-G163 PolarHBondContact O-N 2.92Å; F161-G163 VanDerWaalsContact C-N 3.26Å
164	R	78.6	Confident	71.3	Confident	153 Å²	153	79.6 Å²	79.6	58%	0.577	42%	0.423	S	S	*	.			trans	-74.7	149.2	177	-66.9	-173.2	172.4	-154.8	-4	110.9	E159 A162 V166	E159-R164 HydrophobicContact CB-CB 4.23Å; E159-R164 WeakPolarHBondContact O-CB 3.47Å; E159-R164 PolarHBondContact O-N 2.93Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 HydrophobicContact CB-CG 4.46Å; A162-R164 PolarHBondContact O-N 2.92Å; R164-V166 PolarHBondContact O-N 3.49Å
165	N	70.8	Confident	68.4	Low	175 Å²	175	86.6 Å²	86.6	94%	0.936	46%	0.459	S	S	*	.			trans	-70.7	98.5	173.8	-75	-31.1	0	0	0	110.2
166	V	72.7	Confident	65.7	Low	16 Å²	16	92.6 Å²	92.6	10%	0.097	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-98.7	137.6	173.7	-178.6	0	0	0	0	108.7	Y16 I156 E159 V160 R164 T168	Y16-V166 HydrophobicContact CD1-CB 3.85Å; Y16-V166 HydrophobicContact CD1-CG1 3.72Å; Y16-V166 HydrophobicContact CE1-CB 4.26Å; Y16-V166 HydrophobicContact CG-CG1 4.31Å; I156-V166 HydrophobicContact CD1-CG1 3.84Å; I156-V166 HydrophobicContact CG1-CG1 3.65Å; E159-V166 HydrophobicContact CB-CG2 3.59Å; V160-V166 HydrophobicContact CG2-CB 4.32Å; V160-V166 HydrophobicContact CG2-CG2 3.94Å; R164-V166 PolarHBondContact O-N 3.49Å; V166-T168 PolarHBondContact O-N 2.81Å; V166-T168 VanDerWaalsContact O-N 3.1Å
167	P	72.1	Confident	63.1	Low	58 Å²	58	98.1 Å²	98.1	38%	0.377	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-56.4	118.2	178	-23	32.4	0	0	0	111.6	G17 I25	G17-P167 PolarHBondContact N-O 3Å; I25-P167 HydrophobicContact CD1-CB 3.74Å; I25-P167 HydrophobicContact CG1-CB 4.42Å
168	T	66.3	Low	60.2	Low	82 Å²	82	101 Å²	101	50%	0.503	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-93	146.7	172.8	51.6	0	0	0	0	109.6	L15 Y16 V166	L15-T168 WeakPolarHBondContact O-CA 3.23Å; Y16-T168 HydrophobicContact CD1-CG2 4.05Å; Y16-T168 HydrophobicContact CE1-CG2 3.97Å; V166-T168 PolarHBondContact O-N 2.81Å; V166-T168 VanDerWaalsContact O-N 3.1Å
169	L	65.9	Low	57.3	Low	49 Å²	49	103.4 Å²	103.4	26%	0.257	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-71.9	139.5	168.3	-78.7	127.6	0	0	0	108.8	L15 I25 D171	L15-L169 HydrophobicContact CB-CD1 4.44Å; L15-L169 PolarHBondContact O-N 3.19Å; I25-L169 HydrophobicContact CG2-CD2 4.25Å; I25-L169 HydrophobicContact CG2-CG 3.99Å; L169-D171 PolarHBondContact O-N 3.16Å
170	P	58.7	Low	54.7	Low	112 Å²	112	110.1 Å²	110.1	73%	0.727	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-57	128.6	173.6	22.4	-30.6	0	0	0	108.8	R172	P170-R172 PolarHBondContact O-N 2.93Å; P170-R172 VanDerWaalsContact O-N 3.13Å
171	D	51.8	Low	52.3	Low	119 Å²	119	114.9 Å²	114.9	64%	0.636	64%	0.635	S	S	*	*			trans	-57.9	115.9	-177.8	-170.1	12.6	0	0	0	109.3	L169 T173	L169-D171 PolarHBondContact O-N 3.16Å; D171-T173 VanDerWaalsContact CG-OG1 3.28Å; D171-T173 PolarHBondContact O-N 3.45Å; D171-T173 PolarHBondContact OD1-N 3.19Å; D171-T173 WeakPolarHBondContact OD2-CG2 3.35Å; D171-T173 PolarHBondContact OD2-OG1 3.1Å
172	R	43.6	Very low	49.8	Very low	226 Å²	226	117 Å²	117	85%	0.853	65%	0.646	S	S	*	*			trans	-81.1	65.8	162.9	-80.3	-172.1	172.3	-174.1	-3.1	107.3	P170	P170-R172 PolarHBondContact O-N 2.93Å; P170-R172 VanDerWaalsContact O-N 3.13Å
173	T	32.2	Very low	47	Very low	87 Å²	87	125.7 Å²	125.7	53%	0.534	67%	0.667	S	S	.	*			trans	-65.7	134	167.6	8.1	0	0	0	0	108.4	D171	D171-T173 VanDerWaalsContact CG-OG1 3.28Å; D171-T173 PolarHBondContact O-N 3.45Å; D171-T173 PolarHBondContact OD1-N 3.19Å; D171-T173 WeakPolarHBondContact OD2-CG2 3.35Å; D171-T173 PolarHBondContact OD2-OG1 3.1Å
174	H	31	Very low	44.8	Very low	152 Å²	152	127.8 Å²	127.8	70%	0.704	67%	0.668	S	S	*	*			trans	85.4	66.5	-177.5	-47.8	-70.5	0	0	0	118
175	I	29.8	Very low	42.6	Very low	152 Å²	152	127.8 Å²	127.8	78%	0.779	68%	0.679	S	S	*	*			trans	-114.6	90.6	135.5	-57.1	179.8	0	0	0	106.7
176	H	29.9	Very low	40.6	Very low	146 Å²	146	127.8 Å²	127.8	68%	0.676	67%	0.673	S	S	*	*			trans	-60.9	127.9	167.7	-89.3	-74.3	0	0	0	109.1	G178	H176-G178 PolarHBondContact O-N 3.06Å; H176-G178 VanDerWaalsContact O-N 3.08Å
177	P	27.2	Very low	38.7	Very low	131 Å²	131	133.9 Å²	133.9	85%	0.851	71%	0.71	S	S	*	*	S	Bend	trans	-74.9	98.2	167.1	29.8	-27.5	0	0	0	107.7
178	G	26.8	Very low	36.8	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	73%	0.728	S	S	*	*			trans	113.9	91.1	167.9	0	0	0	0	0	115	H176	H176-G178 PolarHBondContact O-N 3.06Å; H176-G178 VanDerWaalsContact O-N 3.08Å
179	A	29.1	Very low	35.1	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	74%	0.741	S	S	*	*			trans	-158	108.9	144.1	0	0	0	0	0	106.9	P181	A179-P181 WeakPolarHBondContact O-CD 3.19Å
180	R	27.2	Very low	33.4	Very low	208 Å²	208	140 Å²	140	79%	0.785	76%	0.76	S	S	*	*			trans	-63	123.3	168.8	-68	178	-176.8	-177.9	0.5	107.1	H182	R180-H182 PolarHBondContact O-N 3.42Å
181	P	32.4	Very low	32.3	Very low	125 Å²	125	143.3 Å²	143.3	81%	0.812	77%	0.766	S	S	*	*			trans	-81.4	113.1	170.1	14.3	0	0	0	0	108.1	A179 R183	A179-P181 WeakPolarHBondContact O-CD 3.19Å; P181-R183 PolarHBondContact O-N 2.87Å
182	H	33.7	Very low	31.4	Very low	182 Å²	182	143.3 Å²	143.3	84%	0.843	77%	0.774	S	S	*	*			trans	-59.2	127.7	162.3	-81.8	-79.2	0	0	0	109.2	R180	R180-H182 PolarHBondContact O-N 3.42Å
183	R	28.5	Very low	30.7	Very low	240 Å²	240	141.5 Å²	141.5	91%	0.906	78%	0.775	S	S	*	*			trans	-61.9	142.3	161.2	-81.2	-178	177.2	-165.4	-1.5	108.9	P181	P181-R183 PolarHBondContact O-N 2.87Å
184	P	32.6	Very low	30.5	Very low	108 Å²	108	141.4 Å²	141.4	70%	0.701	78%	0.783	S	S	*	*				-132.6	130	110.4	12.2	9.5	0	0	0	111.3
185	I	32.1	Very low	30.4	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	80%	0.795	S	S	*	*				81.1	115.5	98.2	-62.8	168.2	0	0	0	112.6
186	H	29.6	Very low	30.2	Very low	175 Å²	175	145 Å²	145	81%	0.81	80%	0.798	S	S	*	*			trans	-16.3	137.2	165.3	-74.8	-101.7	0	0	0	117.8
187	T	32.7	Very low	30.2	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	80%	0.801	S	S	*	*				-164.3	154.1	104.8	22.4	0	0	0	0	111.9
188	S	30.8	Very low	30.2	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	80%	0.799	S	S	*	*			trans	-80.8	153	-163.2	49.6	0	0	0	0	117.2
189	C	31.3	Very low	30.4	Very low	115 Å²	115	151.4 Å²	151.4	78%	0.777	81%	0.81	S	S	*	*			trans	170.8	106.3	132.6	-106.5	0	0	0	0	107.3
190	S	30.8	Very low	30.4	Very low	94 Å²	94	155.3 Å²	155.3	66%	0.657	82%	0.817	S	S	*	*				70.3	129.4	77.7	74.5	0	0	0	0	114.4
191	Q	36.1	Very low	30.5	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	81%	0.809	S	S	*	*			trans	91	131.4	174.5	-56.7	178.3	-12.2	0	0	115.7
192	C	31.4	Very low	30.4	Very low	119 Å²	119	150.2 Å²	150.2	80%	0.804	81%	0.812	S	S	*	*			cis	-160.5	164.2	-2.7	-105.6	0	0	0	0	110.4
193	E	28.6	Very low	30.6	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.874	81%	0.81	S	S	*	*			trans	-78.9	157.8	-168.5	-65	169.4	131.1	0	0	116
194	A	29.3	Very low	30.9	Very low	85 Å²	85	141.3 Å²	141.3	70%	0.702	81%	0.808	S	S	*	*			trans	42.5	124.2	141	0	0	0	0	0	121.3
195	Y	28.8	Very low	30.7	Very low	244 Å²	244	139.4 Å²	139.4	96%	0.957	81%	0.808	S	S	*	*			trans	-156	120	134.4	-97.6	-75.9	0	0	0	111.9
196	T	25.8	Very low	31	Very low	136 Å²	136	140.7 Å²	140.7	83%	0.834	81%	0.814	S	S	*	*			trans	-96.1	148.2	161	27.7	0	0	0	0	110
197	A	28.5	Very low	31	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	82%	0.816	S	S	*	*			trans	112.5	147.9	155.8	0	0	0	0	0	117.5
198	H	29	Very low	31	Very low	175 Å²	175	133.9 Å²	133.9	81%	0.81	81%	0.81	S	S	*	*			trans	84.5	105.9	173.3	-71.5	-91.1	0	0	0	118.4
199	F	30.2	Very low	31	Very low	216 Å²	216	137.4 Å²	137.4	95%	0.947	81%	0.814	S	S	*	*				-159.6	110.2	117.5	-112.2	-80.6	0	0	0	110.2
200	L	28.1	Very low	31.1	Very low	173 Å²	173	139.8 Å²	139.8	91%	0.906	82%	0.818	S	S	*	*			trans	-113	139.8	161.3	-95.8	166.9	0	0	0	106.3
201	G	29.5	Very low	31.1	Very low	60 Å²	60	143.7 Å²	143.7	62%	0.619	83%	0.826	S	S	*	*			trans	156.9	126.1	160.1	0	0	0	0	0	116.1
202	L	32	Very low	30.9	Very low	166 Å²	166	142.3 Å²	142.3	87%	0.869	82%	0.819	S	S	*	*			trans	82.8	128.6	164	-64.3	102.2	0	0	0	117.2
203	T	37.5	Very low	30.9	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	82%	0.819	S	S	*	*			cis	-165.4	158	9.8	14.4	0	0	0	0	111.6
204	A	33.5	Very low	31.1	Very low	106 Å²	106	143.2 Å²	143.2	88%	0.876	82%	0.815	S	S	*	*			trans	-57.3	166.1	175.3	0	0	0	0	0	115.2
205	G	29.9	Very low	31.5	Very low	67 Å²	67	145.6 Å²	145.6	69%	0.691	81%	0.811	S	S	*	*			cis	-178.7	-154.9	10.2	0	0	0	0	0	112.8
206	I	36.9	Very low	31.9	Very low	181 Å²	181	138.7 Å²	138.7	93%	0.928	80%	0.796	S	S	*	*			trans	101.2	119	178.2	-50.4	175.5	0	0	0	114.8
207	A	30.3	Very low	32.5	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	79%	0.792	S	S	*	*			trans	-90.4	163.6	-168.2	0	0	0	0	0	113.6
208	G	32.2	Very low	33.2	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	78%	0.781	S	S	*	*			trans	164.3	84.6	163.3	0	0	0	0	0	114.9
209	H	31.8	Very low	33.6	Very low	183 Å²	183	140 Å²	140	85%	0.847	78%	0.775	S	S	*	*			trans	35.7	111.5	142.1	-95.6	37.1	0	0	0	120.3
210	L	33	Very low	34	Very low	166 Å²	166	135 Å²	135	87%	0.869	76%	0.757	S	S	*	*				-178.2	136.4	102.7	-127.7	77	0	0	0	112.1
211	H	30.1	Very low	34.6	Very low	175 Å²	175	132.4 Å²	132.4	81%	0.81	74%	0.744	S	S	*	*			trans	-77.1	133.9	177.4	-123	-116.6	0	0	0	111.4
212	H	33.2	Very low	34.9	Very low	154 Å²	154	137 Å²	137	71%	0.713	75%	0.746	S	S	*	*				-175.7	121.3	127.4	-114.2	-69.5	0	0	0	114.4
213	Q	30.6	Very low	35.4	Very low	173 Å²	173	135.7 Å²	135.7	81%	0.808	74%	0.736	S	S	*	*			trans	33	101.1	146.7	-75.5	172.4	-23.6	0	0	119.8
214	I	33	Very low	35.7	Very low	151 Å²	151	134 Å²	134	77%	0.774	72%	0.719	S	S	*	*			trans	-97.3	117.3	161.5	-63.6	177.1	0	0	0	109.5	I218	I214-I218 HydrophobicContact CG2-CD1 4.14Å
215	H	37.3	Very low	36.4	Very low	136 Å²	136	132 Å²	132	63%	0.63	70%	0.696	S	S	*	*			trans	-69.7	143.7	-177.3	-150.1	-75.2	0	0	0	112.4	R217	H215-R217 PolarHBondContact O-N 3.45Å
216	P	37.2	Very low	36.9	Very low	99 Å²	99	135 Å²	135	64%	0.643	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	9.3	-174.5	22.5	-33.9	0	0	0	117.2
217	R	39.8	Very low	37	Very low	199 Å²	199	131.7 Å²	131.7	75%	0.751	67%	0.672	S	S	*	*	H	α-helix	trans	-83	-14.4	179.3	-83.2	-177	165.9	178.6	-2.9	114.5	H215	H215-R217 PolarHBondContact O-N 3.45Å
218	I	41.8	Very low	37.5	Very low	102 Å²	102	132.8 Å²	132.8	52%	0.523	66%	0.661	S	S	.	*	H	α-helix	trans	-85	-25	-176.2	-66.1	172.4	0	0	0	112.3	I214	I214-I218 HydrophobicContact CG2-CD1 4.14Å
219	L	37	Very low	37.8	Very low	129 Å²	129	131.8 Å²	131.8	68%	0.675	64%	0.643	S	S	*	*	H	α-helix	trans	-74.2	-36.3	177.2	-98.5	127.2	0	0	0	112.9	L221 K222 E223	L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 3.06Å; L219-K222 PolarHBondContact O-N 3.47Å; L219-E223 PolarHBondContact O-N 3.23Å
220	L	38.7	Very low	38.1	Very low	111 Å²	111	129.7 Å²	129.7	58%	0.581	63%	0.631	S	S	*	*	H	α-helix	trans	-68.8	-28.2	-179.6	-112.6	110.3	0	0	0	114	Q224	L220-Q224 WeakPolarHBondContact O-CG 3.3Å; L220-Q224 PolarHBondContact O-N 2.82Å
221	L	40.5	Very low	38.5	Very low	117 Å²	117	129.9 Å²	129.9	61%	0.613	62%	0.62	S	S	*	*	H	α-helix	trans	-75	-34.8	176.3	-90.8	151.1	0	0	0	112.1	L219 V225	L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 3.06Å; L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.49Å; L221-V225 PolarHBondContact O-N 2.88Å
222	K	37.1	Very low	39.2	Very low	156 Å²	156	126.4 Å²	126.4	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-67.9	-40.2	177.7	-76.4	-176.6	174.1	-178.7	0	112.3	L219 H226	L219-K222 PolarHBondContact O-N 3.47Å; K222-H226 PolarHBondContact O-N 2.85Å
223	E	41.8	Very low	39.5	Very low	139 Å²	139	123.9 Å²	123.9	65%	0.65	60%	0.602	S	S	*	*	H	α-helix	trans	-71.4	-38.3	179.1	-74.7	-174.3	146.7	0	0	113.1	L219 H226 H227	L219-E223 PolarHBondContact O-N 3.23Å; E223-H226 PolarHBondContact O-N 2.87Å; E223-H227 PolarHBondContact O-N 2.85Å; E223-H227 VanDerWaalsContact O-N 3.13Å
224	Q	44.2	Very low	39.9	Very low	95 Å²	95	122.8 Å²	122.8	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-68	-36.4	178.6	-74.7	-173.6	2.1	0	0	112.7	L220 H227 M228	L220-Q224 WeakPolarHBondContact O-CG 3.3Å; L220-Q224 PolarHBondContact O-N 2.82Å; Q224-H227 PolarHBondContact O-N 2.83Å; Q224-M228 WeakPolarHBondContact O-CG 3.26Å; Q224-M228 PolarHBondContact O-N 2.8Å
225	V	47.6	Very low	40	Very low	65 Å²	65	118 Å²	118	39%	0.394	59%	0.585	S	S	.	*	H	α-helix	trans	-69.2	-37.5	176.9	173.9	0	0	0	0	111.4	L221 H227 M228 S229	L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.49Å; L221-V225 PolarHBondContact O-N 2.88Å; V225-H227 PolarHBondContact O-N 3.15Å; V225-M228 PolarHBondContact O-N 3.47Å; V225-S229 PolarHBondContact O-N 2.92Å
226	H	39.8	Very low	40	Very low	129 Å²	129	119.8 Å²	119.8	60%	0.597	59%	0.593	S	S	*	*	H	α-helix	trans	-66.6	-37	176.9	-151.3	68.6	0	0	0	112.1	K222 E223 S229 K230	K222-H226 PolarHBondContact O-N 2.85Å; E223-H226 PolarHBondContact O-N 2.87Å; H226-S229 PolarHBondContact O-N 2.78Å; H226-K230 PolarHBondContact O-N 2.83Å
227	H	40.5	Very low	39.9	Very low	111 Å²	111	123.1 Å²	123.1	51%	0.514	60%	0.6	S	S	.	*	H	α-helix	trans	-73.2	-30	179.7	-150.5	-46.3	0	0	0	113.5	E223 Q224 V225 R231	E223-H227 PolarHBondContact O-N 2.85Å; E223-H227 VanDerWaalsContact O-N 3.13Å; Q224-H227 PolarHBondContact O-N 2.83Å; V225-H227 PolarHBondContact O-N 3.15Å; H227-R231 PolarHBondContact ND1-NE 2.95Å
228	M	40.3	Very low	39.7	Very low	125 Å²	125	122.4 Å²	122.4	62%	0.616	60%	0.602	S	S	*	*	H	α-helix	trans	-71.8	-37.9	173.1	-68.9	-158.4	-45.4	0	0	112.2	Q224 V225 K230 R231 I232	Q224-M228 WeakPolarHBondContact O-CG 3.26Å; Q224-M228 PolarHBondContact O-N 2.8Å; V225-M228 PolarHBondContact O-N 3.47Å; M228-K230 VanDerWaalsContact C-N 3.34Å; M228-K230 PolarHBondContact O-N 2.92Å; M228-R231 PolarHBondContact O-N 3.43Å; M228-I232 WeakPolarHBondContact O-CG1 3.24Å; M228-I232 PolarHBondContact O-N 3.25Å
229	S	39.2	Very low	39.3	Very low	53 Å²	53	125 Å²	125	37%	0.371	62%	0.617	S	S	.	*	H	α-helix	trans	-66.5	-33.8	-179.8	-150.9	0	0	0	0	112.6	V225 H226	V225-S229 PolarHBondContact O-N 2.92Å; H226-S229 PolarHBondContact O-N 2.78Å
230	K	38.1	Very low	39.1	Very low	138 Å²	138	127.6 Å²	127.6	60%	0.6	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-35.5	174.3	-83.1	-174.4	176.2	-179.8	0	113.4	H226 M228 Q234	H226-K230 PolarHBondContact O-N 2.83Å; M228-K230 VanDerWaalsContact C-N 3.34Å; M228-K230 PolarHBondContact O-N 2.92Å; K230-Q234 PolarHBondContact O-N 2.76Å
231	R	41.2	Very low	38.7	Very low	170 Å²	170	128.3 Å²	128.3	64%	0.642	64%	0.635	S	S	*	*	H	α-helix	trans	-73.6	-27.5	178.8	-69.1	-171.4	-162.6	-167.5	5.5	113.2	H227 M228 G235	H227-R231 PolarHBondContact ND1-NE 2.95Å; M228-R231 PolarHBondContact O-N 3.43Å; R231-G235 PolarHBondContact O-N 2.91Å; R231-G235 VanDerWaalsContact O-N 3.08Å
232	I	43.4	Very low	38.3	Very low	103 Å²	103	130.3 Å²	130.3	53%	0.528	65%	0.646	S	S	.	*	H	α-helix	trans	-73	-34.9	178.4	-67.4	166.9	0	0	0	111.6	M228	M228-I232 WeakPolarHBondContact O-CG1 3.24Å; M228-I232 PolarHBondContact O-N 3.25Å
233	V	41.2	Very low	38	Very low	100 Å²	100	132 Å²	132	61%	0.606	66%	0.657	S	S	*	*	H	α-helix	trans	-73.5	-33.8	177.2	179.3	0	0	0	0	111.8
234	Q	38.7	Very low	37.4	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	66%	0.662	S	S	*	*	H	α-helix	trans	-83.2	-21.3	178.2	-71.5	178.8	-17.7	0	0	114.1	K230	K230-Q234 PolarHBondContact O-N 2.76Å
235	G	33.8	Very low	36.6	Very low	50 Å²	50	136.4 Å²	136.4	52%	0.515	68%	0.677	S	S	.	*	H	α-helix	trans	-82.6	-15.8	-179	0	0	0	0	0	115.7	R231	R231-G235 PolarHBondContact O-N 2.91Å; R231-G235 VanDerWaalsContact O-N 3.08Å
236	H	38.9	Very low	35.8	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.806	70%	0.7	S	S	*	*	S	Bend	trans	-95.5	-6.7	178.9	-92.3	34.2	0	0	0	114.4
237	Q	34.7	Very low	35.4	Very low	169 Å²	169	144.3 Å²	144.3	79%	0.79	71%	0.709	S	S	*	*	S	Bend	trans	-99.1	2.7	-178.5	-148.4	153.3	-7.5	0	0	113.5
238	K	34.3	Very low	35	Very low	184 Å²	184	146.7 Å²	146.7	80%	0.8	72%	0.72	S	S	*	*	S	Bend	trans	-115.5	16.6	-171.6	-121.4	179.1	-176.3	-178.3	0	115.6
239	N	34.7	Very low	34.7	Very low	156 Å²	156	150 Å²	150	83%	0.834	73%	0.733	S	S	*	*	S	Bend	trans	-135.4	22.5	-177	-120.3	4	0	0	0	115.1
240	Q	33.5	Very low	34.3	Very low	184 Å²	184	155 Å²	155	86%	0.86	75%	0.751	S	S	*	*			trans	-120.1	76.4	169.8	-81.3	-177	-6.3	0	0	109.2
241	T	29.1	Very low	34.1	Very low	126 Å²	126	155.1 Å²	155.1	77%	0.773	76%	0.758	S	S	*	*			trans	-173.8	86.5	165.4	8	0	0	0	0	106.7
242	N	31.9	Very low	33.7	Very low	159 Å²	159	158.3 Å²	158.3	85%	0.85	77%	0.77	S	S	*	*			trans	178.3	130.4	148.3	-89.6	-22.3	0	0	0	110.5
243	Q	31.4	Very low	33	Very low	192 Å²	192	164.6 Å²	164.6	90%	0.897	79%	0.787	S	S	*	*			trans	83.6	87.8	161.4	-66.1	175.7	-19.7	0	0	118.9
244	H	29	Very low	32.8	Very low	162 Å²	162	165.6 Å²	165.6	75%	0.75	80%	0.796	S	S	*	*			trans	-79.1	164.7	139.5	-90	-65.2	0	0	0	110.1
245	E	28.2	Very low	32.5	Very low	163 Å²	163	162.4 Å²	162.4	76%	0.762	80%	0.795	S	S	*	*			trans	99.5	103.8	160.3	-147.1	160.2	-146.8	0	0	115
246	W	29.2	Very low	32.6	Very low	232 Å²	232	167.6 Å²	167.6	88%	0.879	81%	0.809	S	S	*	*				179.1	130.9	111.2	-89.9	98.6	0	0	0	110.4
247	T	33.3	Very low	32.6	Very low	128 Å²	128	167.3 Å²	167.3	79%	0.785	81%	0.808	S	S	*	*			trans	-82.6	158.9	-172.1	29.1	0	0	0	0	113.3
248	H	30.5	Very low	32.5	Very low	162 Å²	162	163.5 Å²	163.5	75%	0.75	80%	0.8	S	S	*	*			trans	-51.8	139.9	177.2	-84.3	-97.1	0	0	0	115.4
249	H	33.7	Very low	32.7	Very low	194 Å²	194	163.8 Å²	163.8	90%	0.898	80%	0.804	S	S	*	*			trans	-146.7	118.7	137.4	-107	-71.3	0	0	0	111.1
250	H	31.2	Very low	32.6	Very low	158 Å²	158	161.1 Å²	161.1	73%	0.731	80%	0.797	S	S	*	*			trans	-87.5	141	166.6	-92	-59.9	0	0	0	109.3
251	N	34.7	Very low	32.6	Very low	141 Å²	141	157.3 Å²	157.3	75%	0.754	79%	0.791	S	S	*	*			trans	-165.6	126.9	135.7	-99.8	-27	0	0	0	114.4
252	R	32.9	Very low	32.7	Very low	236 Å²	236	156.4 Å²	156.4	89%	0.891	79%	0.79	S	S	*	*			trans	65.8	125.4	141.2	-63.7	-176.9	-177.6	-167.1	-0.9	122.8
253	R	29.2	Very low	32.8	Very low	235 Å²	235	154.5 Å²	154.5	89%	0.887	79%	0.789	S	S	*	*			trans	-79.1	172.1	162.5	-62	172.4	166.6	-179	-4.1	111.3
254	P	36.7	Very low	32.8	Very low	122 Å²	122	150.8 Å²	150.8	79%	0.792	78%	0.784	S	S	*	*				-139.4	143	78.6	21.1	2.3	0	0	0	113.2
255	A	32.4	Very low	33.1	Very low	83 Å²	83	148.5 Å²	148.5	69%	0.686	79%	0.787	S	S	*	*				56.4	117	80.3	0	0	0	0	0	115.5
256	I	36.3	Very low	33.2	Very low	160 Å²	160	146.5 Å²	146.5	82%	0.821	79%	0.79	S	S	*	*			trans	179.9	123.9	136.8	-89.4	152.4	0	0	0	111.6
257	H	37.4	Very low	33.5	Very low	167 Å²	167	144.1 Å²	144.1	77%	0.773	79%	0.789	S	S	*	*			trans	53	127.4	146.8	-67.8	-86.8	0	0	0	125.9
258	S	33.1	Very low	33.4	Very low	90 Å²	90	144.9 Å²	144.9	63%	0.629	79%	0.793	S	S	*	*			trans	-71	149.5	163.4	43.7	0	0	0	0	114.3
259	H	38.8	Very low	33.5	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.875	80%	0.796	S	S	*	*			trans	-160.8	154.1	135.8	-88.1	-65	0	0	0	111
260	S	32.2	Very low	33.5	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	79%	0.793	S	S	*	*			trans	-91.4	171.7	-164.1	38.5	0	0	0	0	114.8
261	S	34.2	Very low	33.5	Very low	104 Å²	104	143.5 Å²	143.5	73%	0.727	80%	0.798	S	S	*	*			trans	112.4	112.6	146.5	-29.2	0	0	0	0	117.9
262	S	31.5	Very low	33.4	Very low	108 Å²	108	148 Å²	148	76%	0.755	81%	0.805	S	S	*	*			trans	23.1	125.8	139	58.8	0	0	0	0	121.1
263	S	34	Very low	33.7	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	80%	0.801	S	S	*	*				168.2	154.5	111	52.4	0	0	0	0	111.4
264	S	30.6	Very low	33.9	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	80%	0.8	S	S	*	*			trans	-57.4	137.9	179.7	49.7	0	0	0	0	114.9
265	S	35.1	Very low	34	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	80%	0.8	S	S	*	*			trans	-160.8	143.7	136	68.4	0	0	0	0	110.7
266	S	30	Very low	34.2	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	81%	0.81	S	S	*	*			trans	-67.8	134.1	178.2	31	0	0	0	0	112.7
267	E	35.2	Very low	34.1	Very low	183 Å²	183	146.9 Å²	146.9	86%	0.855	81%	0.813	S	S	*	*			trans	-134.9	128.3	165.6	-120.1	-175.5	176.6	0	0	111.7
268	V	32.1	Very low	34.1	Very low	144 Å²	144	144.3 Å²	144.3	87%	0.873	81%	0.81	S	S	*	*			trans	-79.5	124	-179.7	171.8	0	0	0	0	109.2
269	V	33.1	Very low	34.4	Very low	132 Å²	132	152.1 Å²	152.1	80%	0.8	83%	0.826	S	S	*	*			trans	-119.2	123.3	174.4	-178.6	0	0	0	0	110.8
270	R	33	Very low	34.9	Very low	224 Å²	224	151.1 Å²	151.1	85%	0.845	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.4	152.5	-178.8	-90.2	175.7	-101.1	-144.7	-6.8	114.1
271	P	31.5	Very low	35.9	Very low	128 Å²	128	151.9 Å²	151.9	83%	0.831	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-65.3	137.5	174.5	-11.9	26.3	0	0	0	111.8
272	R	33.3	Very low	36.6	Very low	236 Å²	236	151 Å²	151	89%	0.891	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.1	147.7	171.6	-72.6	-178.1	176.6	-159.5	-1.3	111.1
273	P	37.4	Very low	37.9	Very low	124 Å²	124	153 Å²	153	81%	0.805	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	148.7	177.8	-6.9	23.5	0	0	0	111.9
274	L	33.6	Very low	39	Very low	169 Å²	169	148 Å²	148	89%	0.885	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.2	137	171.7	-74.4	159.7	0	0	0	110.7
275	P	39.2	Very low	40.3	Very low	121 Å²	121	148.3 Å²	148.3	79%	0.786	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.9	140.6	173.3	30	-31	0	0	0	111.9
276	D	37.1	Very low	41.7	Very low	167 Å²	167	146.1 Å²	146.1	89%	0.893	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-53.8	141.3	177.3	-88.8	-49.7	0	0	0	114.4
277	R	34.6	Very low	43	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-78.5	130.6	179.7	-153.5	179.4	-160.6	-174	4.9	110.6	R279	R277-R279 PolarHBondContact O-N 2.94Å
278	P	36.3	Very low	44.7	Very low	112 Å²	112	141.9 Å²	141.9	73%	0.727	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.6	176.6	-10.6	24.7	0	0	0	110.9	Q280	P278-Q280 PolarHBondContact O-N 2.8Å
279	R	39.1	Very low	46.4	Very low	254 Å²	254	137.8 Å²	137.8	96%	0.958	73%	0.73	S	S	*	*			trans	-72.6	102.5	166.4	-68.4	-178.1	177.9	-159	0.3	109	R277	R277-R279 PolarHBondContact O-N 2.94Å
280	Q	49	Very low	47.6	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-103.1	138.6	165.6	-80.6	-177.1	-13.2	0	0	110.3	P278	P278-Q280 PolarHBondContact O-N 2.8Å
281	P	54.3	Low	48.5	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-68.8	135.4	176.3	27.1	-31.2	0	0	0	111	I283	P281-I283 PolarHBondContact O-N 2.87Å
282	I	49.8	Very low	49.7	Very low	85 Å²	85	132.6 Å²	132.6	44%	0.436	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-73.5	119.9	175.4	-69.7	162.7	0	0	0	108.7	L305	I282-L305 HydrophobicContact CD1-CB 3.92Å
283	I	58.1	Low	50.6	Low	151 Å²	151	131.5 Å²	131.5	77%	0.774	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-100.5	116.8	175.6	-59.1	173.7	0	0	0	107.6	P281	P281-I283 PolarHBondContact O-N 2.87Å
284	C	56.4	Low	50.8	Low	13 Å²	13	128.8 Å²	128.8	9%	0.088	67%	0.671	C	S	.	*	P	Polyproline II helix	trans	-69.2	140.6	174.6	-63.3	0	0	0	0	110.5	T286 Q289 C307	C284-T286 PolarHBondContact O-N 2.77Å; C284-Q289 HydrophobicContact CB-CB 3.76Å; C284-C307 WeakPolarHBondContact CA-SG 3.45Å; C284-C307 HydrophobicContact CB-CB 3.8Å; C284-C307 WeakPolarHBondContact CB-SG 3.47Å; C284-C307 WeakPolarHBondContact SG-CB 3.32Å; C284-C307 CovalentContact SG-SG 2.03Å; C284-C307 PolarHBondContact SG-SG 3.38Å
285	P	57.8	Low	51.7	Low	121 Å²	121	131.3 Å²	131.3	79%	0.786	67%	0.668	S	S	*	*	S	Bend	trans	-65.5	-19.6	-174.8	24.4	-32.8	0	0	0	113.6
286	T	65.6	Low	51.9	Low	68 Å²	68	131.5 Å²	131.5	42%	0.417	67%	0.669	S	S	.	*	S	Bend	trans	-96.2	120.5	179.3	-31.8	0	0	0	0	110.6	C284 G288 Q289	C284-T286 PolarHBondContact O-N 2.77Å; T286-G288 PolarHBondContact O-N 3Å; T286-Q289 VanDerWaalsContact CB-OE1 3.23Å; T286-Q289 PolarHBondContact O-N 2.97Å; T286-Q289 PolarHBondContact OG1-OE1 2.96Å
287	P	57.3	Low	52.5	Low	130 Å²	130	130.9 Å²	130.9	84%	0.844	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	124.4	173.2	-24	33.2	0	0	0	111
288	G	69.5	Low	52.9	Low	84 Å²	84	123.7 Å²	123.7	87%	0.866	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.5	-11.6	-179.8	0	0	0	0	0	116.1	T286	T286-G288 PolarHBondContact O-N 3Å
289	Q	68.5	Low	52.9	Low	58 Å²	58	124.7 Å²	124.7	27%	0.271	66%	0.656	S	S	.	*			trans	-78.2	134.4	173.8	-81	-175.2	-35	0	0	112	C284 T286 P308	C284-Q289 HydrophobicContact CB-CB 3.76Å; T286-Q289 VanDerWaalsContact CB-OE1 3.23Å; T286-Q289 PolarHBondContact O-N 2.97Å; T286-Q289 PolarHBondContact OG1-OE1 2.96Å; Q289-P308 PolarHBondContact NE2-O 3.24Å
290	R	58.6	Low	52.8	Low	215 Å²	215	117.9 Å²	117.9	81%	0.811	64%	0.644	S	S	*	*			trans	-106.2	138	171.2	-65.7	-172.5	-174.4	-167.8	2.4	110
291	P	52.5	Low	51.9	Low	46 Å²	46	114.9 Å²	114.9	30%	0.299	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-65	138	175.5	-13.6	25.9	0	0	0	111.4	L305	P291-L305 HydrophobicContact CB-CB 3.63Å; P291-L305 HydrophobicContact CB-CD1 4.39Å; P291-L305 HydrophobicContact CB-CD2 4.11Å; P291-L305 HydrophobicContact CB-CG 4.26Å
292	I	56.5	Low	51.1	Low	113 Å²	113	114.9 Å²	114.9	58%	0.579	64%	0.636	S	S	*	*	B	Isolated β-bridge	trans	-103.7	139.2	-178.4	-56.5	174	0	0	0	109.5	I306 P308	I292-I306 PolarHBondContact N-O 3.07Å; I292-P308 HydrophobicContact CD1-CG 4.49Å
293	R	50.6	Low	50.6	Low	213 Å²	213	114.5 Å²	114.5	80%	0.804	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-85.3	131.5	175.1	-161.2	-176.8	-111.2	-138.6	1.3	109.3
294	P	43	Very low	49.7	Very low	68 Å²	68	112.3 Å²	112.3	44%	0.442	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-61.3	147.8	175.7	-17.9	29.5	0	0	0	111.6
295	R	51.6	Low	49.3	Very low	222 Å²	222	115 Å²	115	84%	0.838	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-63.5	157.4	172.4	-86.3	-177	175.8	-178.6	-1.4	111.3	D297	R295-D297 PolarHBondContact O-N 3.35Å
296	P	43.8	Very low	48.7	Very low	124 Å²	124	113.2 Å²	113.2	81%	0.805	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-5.2	-166.8	-20.7	33.4	0	0	0	117.6
297	D	50.1	Low	47.8	Very low	155 Å²	155	111.2 Å²	111.2	83%	0.829	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	18.5	-162.8	-57	-34.9	0	0	0	115.1	R295	R295-D297 PolarHBondContact O-N 3.35Å
298	S	42.5	Very low	47.6	Very low	80 Å²	80	108.1 Å²	108.1	56%	0.559	61%	0.606	S	S	*	*			trans	-121.6	105.5	176.7	53.7	0	0	0	0	113.3
299	T	35.5	Very low	46.7	Very low	133 Å²	133	111.9 Å²	111.9	82%	0.816	60%	0.603	S	S	*	*	S	Bend	trans	-72.8	139.8	160.2	42.6	0	0	0	0	110.3
300	P	36.7	Very low	45.5	Very low	112 Å²	112	114.7 Å²	114.7	73%	0.727	63%	0.626	S	S	*	*	S	Bend	cis	-90.9	133	8.5	17.6	-2.1	0	0	0	112.7	N302	P300-N302 VanDerWaalsContact C-N 3.33Å; P300-N302 PolarHBondContact O-N 3.44Å
301	S	31.6	Very low	44.6	Very low	106 Å²	106	108.4 Å²	108.4	74%	0.741	63%	0.628	S	S	*	*			trans	-68	74.5	-178.2	61.4	0	0	0	0	113.1
302	N	38	Very low	43.6	Very low	116 Å²	116	111.6 Å²	111.6	62%	0.62	65%	0.651	S	S	*	*			trans	-113.2	107.4	165.3	-65.5	-19.2	0	0	0	106.6	P300 I304	P300-N302 VanDerWaalsContact C-N 3.33Å; P300-N302 PolarHBondContact O-N 3.44Å; N302-I304 HydrophobicContact CB-CD1 4.2Å; N302-I304 HydrophobicContact CB-CG1 4.22Å; N302-I304 PolarHBondContact O-N 3.03Å
303	G	38.7	Very low	42.4	Very low	76 Å²	76	114.1 Å²	114.1	78%	0.784	67%	0.666	S	S	*	*			trans	-65.7	50.7	-176.6	0	0	0	0	0	114.9
304	I	40	Very low	41.2	Very low	106 Å²	106	111.3 Å²	111.3	54%	0.544	67%	0.665	S	S	.	*			trans	-77.9	121.1	177.5	-59.3	175.1	0	0	0	107.3	N302 I306	N302-I304 HydrophobicContact CB-CD1 4.2Å; N302-I304 HydrophobicContact CB-CG1 4.22Å; N302-I304 PolarHBondContact O-N 3.03Å; I304-I306 HydrophobicContact CG2-CG1 4.41Å
305	L	46.9	Very low	40.5	Very low	70 Å²	70	117 Å²	117	37%	0.366	69%	0.686	S	S	.	*			trans	-76.2	125.7	173.4	-67.5	163.4	0	0	0	108.7	I282 P291	I282-L305 HydrophobicContact CD1-CB 3.92Å; P291-L305 HydrophobicContact CB-CB 3.63Å; P291-L305 HydrophobicContact CB-CD1 4.39Å; P291-L305 HydrophobicContact CB-CD2 4.11Å; P291-L305 HydrophobicContact CB-CG 4.26Å
306	I	44.5	Very low	39.3	Very low	83 Å²	83	112.5 Å²	112.5	43%	0.426	68%	0.683	S	S	.	*	B	Isolated β-bridge	trans	-113.6	142	-177.7	-54.5	173.4	0	0	0	109.3	I292 I304 D429	I292-I306 PolarHBondContact N-O 3.07Å; I304-I306 HydrophobicContact CG2-CG1 4.41Å; I306-D429 WeakPolarHBondContact CG2-OD2 3.46Å
307	C	46.9	Very low	38.4	Very low	25 Å²	25	112.5 Å²	112.5	17%	0.169	68%	0.68	C	S	.	*	P	Polyproline II helix	trans	-95.8	123.3	172.9	-57.7	0	0	0	0	109.2	C284 M309	C284-C307 WeakPolarHBondContact CA-SG 3.45Å; C284-C307 HydrophobicContact CB-CB 3.8Å; C284-C307 WeakPolarHBondContact CB-SG 3.47Å; C284-C307 WeakPolarHBondContact SG-CB 3.32Å; C284-C307 CovalentContact SG-SG 2.03Å; C284-C307 PolarHBondContact SG-SG 3.38Å; C307-M309 PolarHBondContact O-N 2.86Å
308	P	53.5	Low	37.4	Very low	66 Å²	66	110.4 Å²	110.4	43%	0.429	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-69	128.3	-178.9	24.2	-30.7	0	0	0	112.6	Q289 I292	Q289-P308 PolarHBondContact NE2-O 3.24Å; I292-P308 HydrophobicContact CD1-CG 4.49Å
309	M	49.9	Very low	36.4	Very low	162 Å²	162	114 Å²	114	80%	0.798	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-89.9	133.7	173	-73	-158.5	-61.4	0	0	111.9	C307	C307-M309 PolarHBondContact O-N 2.86Å
310	P	43.4	Very low	36.2	Very low	118 Å²	118	113.7 Å²	113.7	77%	0.766	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-92.7	132.2	170.1	18	-3.2	0	0	0	112.9
311	G	40.6	Very low	35.8	Very low	82 Å²	82	114.1 Å²	114.1	85%	0.845	69%	0.689	S	S	*	*			trans	92.7	92.5	154.7	0	0	0	0	0	117.4
312	S	30.8	Very low	36.1	Very low	113 Å²	113	114 Å²	114	79%	0.79	69%	0.685	S	S	*	*			trans	-124.6	85.7	165.4	59.8	0	0	0	0	110.2
313	D	31.9	Very low	35.6	Very low	167 Å²	167	116.8 Å²	116.8	89%	0.893	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-97.9	119.8	167.8	-78.6	-31.6	0	0	0	110
314	I	26.5	Very low	35.2	Very low	153 Å²	153	119.2 Å²	119.2	79%	0.785	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-83.5	117	-179.2	-63	167.5	0	0	0	108.2	V316	I314-V316 HydrophobicContact CG2-CG2 4.24Å
315	Q	28	Very low	34.6	Very low	187 Å²	187	120.2 Å²	120.2	87%	0.874	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-99.4	116.7	163.7	-84.2	-174	6.7	0	0	110.7
316	V	24.9	Very low	33.9	Very low	129 Å²	129	121.4 Å²	121.4	78%	0.782	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-82.6	128.2	172.3	178.7	0	0	0	0	108.5	I314	I314-V316 HydrophobicContact CG2-CG2 4.24Å
317	V	26.2	Very low	33.2	Very low	123 Å²	123	125.4 Å²	125.4	75%	0.745	74%	0.742	S	S	*	*			trans	-122.4	132.3	170.3	-178.1	0	0	0	0	109.6
318	P	27.8	Very low	32.3	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	78%	0.777	S	S	*	*			trans	-85.3	154	-169.1	-0.5	20.6	0	0	0	113.7
319	L	22.8	Very low	31.4	Very low	157 Å²	157	137.3 Å²	137.3	82%	0.822	79%	0.79	S	S	*	*			trans	-66.3	146.6	168.6	-91.7	82.8	0	0	0	112.4
320	P	30.3	Very low	30.5	Very low	125 Å²	125	134.8 Å²	134.8	81%	0.812	79%	0.789	S	S	*	*			trans	-106.1	127.1	150.1	11.2	8.9	0	0	0	111.7
321	T	29.5	Very low	29.8	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	79%	0.791	S	S	*	*			trans	-82.5	-175.4	167.2	49.1	0	0	0	0	111.2
322	P	37	Very low	29.5	Very low	102 Å²	102	136.6 Å²	136.6	66%	0.662	79%	0.791	S	S	*	*				-136.5	167.7	-78.7	42.1	-23.7	0	0	0	115.4
323	F	28.3	Very low	29.5	Very low	175 Å²	175	139 Å²	139	77%	0.768	79%	0.793	S	S	*	*			trans	58.8	148.6	159.9	-67.9	-70.8	0	0	0	121.7
324	P	29.6	Very low	29.7	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	79%	0.791	S	S	*	*				-134.1	163	101.7	37.4	-25.7	0	0	0	115.8
325	T	27.6	Very low	29.8	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	79%	0.788	S	S	*	*			trans	-79.5	151.7	-167.8	-39	0	0	0	0	115.3
326	A	33.1	Very low	29.9	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	79%	0.789	S	S	*	*			trans	-174.9	95	145.7	0	0	0	0	0	106.1
327	E	28.2	Very low	30	Very low	167 Å²	167	131.8 Å²	131.8	78%	0.78	79%	0.786	S	S	*	*				68.1	111.1	70.7	-152.6	173.5	-131	0	0	113.5
328	Y	28.9	Very low	30.1	Very low	234 Å²	234	134.2 Å²	134.2	92%	0.918	79%	0.791	S	S	*	*			trans	-162	130.2	133.8	-107.5	-75.5	0	0	0	110.5
329	P	33.6	Very low	30.1	Very low	108 Å²	108	135.3 Å²	135.3	70%	0.701	80%	0.796	S	S	*	*			trans	-106.2	163.3	-173.2	39.6	-32.9	0	0	0	114
330	S	32.6	Very low	30.3	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	79%	0.791	S	S	*	*			trans	-160.6	99.1	151.4	51.5	0	0	0	0	108.7
331	S	29	Very low	30.2	Very low	115 Å²	115	136 Å²	136	80%	0.804	79%	0.791	S	S	*	*				94.1	97.4	82	64.8	0	0	0	0	113
332	S	33.3	Very low	30.1	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	79%	0.791	S	S	*	*			trans	-161.4	116.5	130.7	63.2	0	0	0	0	109.8
333	I	31.6	Very low	29.7	Very low	163 Å²	163	136.2 Å²	136.2	84%	0.836	80%	0.797	S	S	*	*			trans	-62.2	134.3	170.6	-68.9	154.8	0	0	0	108.7
334	E	34.9	Very low	29.8	Very low	181 Å²	181	132.6 Å²	132.6	85%	0.846	79%	0.785	S	S	*	*				178.4	120.1	121.6	-92.1	179.9	-174.9	0	0	112.7
335	A	29.7	Very low	29.8	Very low	88 Å²	88	131 Å²	131	73%	0.727	78%	0.775	S	S	*	*			trans	43.4	109.2	142.8	0	0	0	0	0	122
336	V	28.3	Very low	30	Very low	147 Å²	147	134.7 Å²	134.7	89%	0.891	78%	0.78	S	S	*	*				45.3	110	117.8	-173	0	0	0	0	117.7
337	G	27.8	Very low	30	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	77%	0.773	S	S	*	*			trans	78.9	90.7	135.7	0	0	0	0	0	116.4
338	M	27.7	Very low	30.1	Very low	173 Å²	173	135.1 Å²	135.1	85%	0.852	76%	0.764	S	S	*	*			trans	168.1	108.8	137.8	-85.4	-85.2	-80.4	0	0	107.6	I340	M338-I340 PolarHBondContact O-N 3.18Å; M338-I340 VanDerWaalsContact O-N 3.17Å
339	V	28	Very low	30.7	Very low	135 Å²	135	130.4 Å²	130.4	82%	0.818	75%	0.754	S	S	*	*			trans	-78.7	97.9	175.3	176.9	0	0	0	0	107.9	L341	V339-L341 HydrophobicContact CG1-CG 4.32Å
340	I	28.1	Very low	30.8	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	75%	0.753	S	S	*	*			trans	-85.8	109.6	164.1	-58.9	175.5	0	0	0	106	M338 P342	M338-I340 PolarHBondContact O-N 3.18Å; M338-I340 VanDerWaalsContact O-N 3.17Å; I340-P342 VanDerWaalsContact O-CD 3.24Å; I340-P342 WeakPolarHBondContact O-CD 3.3Å
341	L	27.8	Very low	31	Very low	154 Å²	154	129.3 Å²	129.3	81%	0.806	75%	0.749	S	S	*	*			trans	-77	108.7	168.8	-84.7	143.4	0	0	0	108.2	V339 S343	V339-L341 HydrophobicContact CG1-CG 4.32Å; L341-S343 PolarHBondContact O-N 2.75Å
342	P	27.5	Very low	31.3	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.1	165.8	-1.6	20.6	0	0	0	106.9	I340 L344	I340-P342 VanDerWaalsContact O-CD 3.24Å; I340-P342 WeakPolarHBondContact O-CD 3.3Å; P342-L344 PolarHBondContact O-N 3.47Å
343	S	28.9	Very low	31.5	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.9	125.6	172.9	39.3	0	0	0	0	109.6	L341	L341-S343 PolarHBondContact O-N 2.75Å
344	L	29.5	Very low	31.9	Very low	98 Å²	98	131.5 Å²	131.5	51%	0.513	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-47.6	124.5	169.1	-103	170.9	0	0	0	109.9	P342 K346 E369	P342-L344 PolarHBondContact O-N 3.47Å; L344-K346 PolarHBondContact O-N 2.91Å; L344-K346 VanDerWaalsContact O-N 3.12Å; L344-E369 VanDerWaalsContact CD1-CD 3.44Å; L344-E369 WeakPolarHBondContact CD1-OE1 3.45Å; L344-E369 WeakPolarHBondContact CD2-OE2 3.49Å; L344-E369 VanDerWaalsContact CG-OE1 3.23Å; L344-E369 WeakPolarHBondContact CG-OE1 3.29Å; L344-E369 WeakPolarHBondContact CG-OE2 3.37Å
345	P	30.6	Very low	32.2	Very low	94 Å²	94	125 Å²	125	61%	0.61	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.3	169.3	22	-28	0	0	0	108.3	Y347	P345-Y347 PolarHBondContact O-N 2.98Å
346	K	30.3	Very low	33.2	Very low	205 Å²	205	125.4 Å²	125.4	89%	0.891	70%	0.702	S	S	*	*			trans	-58.6	109.8	169.9	-75	-179.6	178.9	175.1	0	107.5	L344 D348	L344-K346 PolarHBondContact O-N 2.91Å; L344-K346 VanDerWaalsContact O-N 3.12Å; K346-D348 PolarHBondContact O-N 3.25Å
347	Y	33.6	Very low	34.6	Very low	159 Å²	159	119.6 Å²	119.6	62%	0.624	67%	0.665	S	S	*	*			trans	-65.2	115.9	171.1	-79.3	-87.1	0	0	0	109.1	P345 L349	P345-Y347 PolarHBondContact O-N 2.98Å; Y347-L349 PolarHBondContact O-N 3.24Å
348	D	30.7	Very low	35.9	Very low	111 Å²	111	122.6 Å²	122.6	59%	0.594	66%	0.661	S	S	*	*			trans	-73.9	107.3	168.6	-174.6	9.7	0	0	0	109.4	K346 S350	K346-D348 PolarHBondContact O-N 3.25Å; D348-S350 VanDerWaalsContact C-N 3.26Å; D348-S350 WeakPolarHBondContact OD1-CB 3.33Å; D348-S350 PolarHBondContact OD1-N 2.84Å; D348-S350 PolarHBondContact OD1-OG 3.1Å; D348-S350 PolarHBondContact OD2-OG 2.62Å
349	L	41.9	Very low	37.6	Very low	135 Å²	135	116.6 Å²	116.6	71%	0.707	63%	0.631	S	S	*	*			trans	-84.1	2.8	175.4	-67.7	171	0	0	0	112.4	Y347 S351	Y347-L349 PolarHBondContact O-N 3.24Å; L349-S351 PolarHBondContact O-N 2.76Å; L349-S351 VanDerWaalsContact O-N 3.11Å
350	S	34.7	Very low	39.2	Very low	97 Å²	97	110.8 Å²	110.8	68%	0.678	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-18.9	-175.1	71.1	0	0	0	0	114.3	D348	D348-S350 VanDerWaalsContact C-N 3.26Å; D348-S350 WeakPolarHBondContact OD1-CB 3.33Å; D348-S350 PolarHBondContact OD1-N 2.84Å; D348-S350 PolarHBondContact OD1-OG 3.1Å; D348-S350 PolarHBondContact OD2-OG 2.62Å
351	S	36.4	Very low	40.4	Very low	98 Å²	98	110.1 Å²	110.1	69%	0.685	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	4.9	-172.4	59.6	0	0	0	0	115.6	L349	L349-S351 PolarHBondContact O-N 2.76Å; L349-S351 VanDerWaalsContact O-N 3.11Å
352	R	36.2	Very low	41.5	Very low	158 Å²	158	104.5 Å²	104.5	60%	0.596	56%	0.564	S	S	*	*			trans	-107.8	119.2	-171.7	-66.6	-167.7	178.6	-171.1	1	114
353	T	37	Very low	42.3	Very low	138 Å²	138	107.8 Å²	107.8	85%	0.847	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-61.6	132.6	166.8	44.8	0	0	0	0	110.6	A355	T353-A355 PolarHBondContact O-N 2.69Å
354	I	40.1	Very low	42.8	Very low	151 Å²	151	105.2 Å²	105.2	77%	0.774	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-53	122.6	172.9	-61.7	166.6	0	0	0	108.9	N356	I354-N356 PolarHBondContact O-N 2.95Å
355	A	41.5	Very low	43.1	Very low	43 Å²	43	108 Å²	108	36%	0.355	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-61.4	134.7	175.4	0	0	0	0	0	110.3	T353 H357	T353-A355 PolarHBondContact O-N 2.69Å; A355-H357 VanDerWaalsContact C-N 3.29Å; A355-H357 PolarHBondContact O-N 2.87Å
356	N	50.5	Low	43.4	Very low	97 Å²	97	110.3 Å²	110.3	52%	0.519	56%	0.56	S	S	.	*	S	Bend	trans	-87.5	13.9	-179.4	65.1	-23.9	0	0	0	114	I354 E654	I354-N356 PolarHBondContact O-N 2.95Å; N356-E654 PolarHBondContact ND2-OE1 3.39Å
357	H	57.5	Low	43.4	Very low	25 Å²	25	108.4 Å²	108.4	12%	0.116	56%	0.558	C	S	.	*	S	Bend	trans	-132.7	150.8	-173.9	57.8	-95.5	0	0	0	112.4	A355 H359 V578 I612	A355-H357 VanDerWaalsContact C-N 3.29Å; A355-H357 PolarHBondContact O-N 2.87Å; H357-H359 AromaticContact CD2-CD2 3.45Å; H357-H359 PolarHBondContact CD2-CD2 2.87Å; H357-H359 VanDerWaalsContact CD2-CD2 3.45Å; H357-H359 AromaticContact CD2-NE2 3.44Å; H357-H359 PolarHBondContact CD2-NE2 2.95Å; H357-H359 AromaticContact NE2-CD2 3.61Å; H357-H359 AromaticContact NE2-NE2 3.07Å; H357-H359 PolarHBondContact NE2-NE2 3.22Å; H357-V578 VanDerWaalsContact CD2-CG1 3.46Å; H357-V578 WeakPolarHBondContact CD2-CG1 3.38Å; H357-I612 HydrophobicContact CB-CD1 4.02Å; H357-I612 HydrophobicContact CB-CG1 4.38Å; H357-I612 HydrophobicContact CB-CG2 3.79Å
358	E	55.6	Low	43.1	Very low	133 Å²	133	104.1 Å²	104.1	62%	0.621	56%	0.562	S	S	*	*			trans	-80.4	126.4	-177.4	-169.8	-178.8	171.8	0	0	111.4
359	H	62.7	Low	42.9	Very low	47 Å²	47	105.4 Å²	105.4	22%	0.218	57%	0.565	C	S	.	*	B	Isolated β-bridge	trans	-87.2	139.4	173.9	-69.7	-168.8	0	0	0	110.4	H357 L361	H357-H359 AromaticContact CD2-CD2 3.45Å; H357-H359 PolarHBondContact CD2-CD2 2.87Å; H357-H359 VanDerWaalsContact CD2-CD2 3.45Å; H357-H359 AromaticContact CD2-NE2 3.44Å; H357-H359 PolarHBondContact CD2-NE2 2.95Å; H357-H359 AromaticContact NE2-CD2 3.61Å; H357-H359 AromaticContact NE2-NE2 3.07Å; H357-H359 PolarHBondContact NE2-NE2 3.22Å; H359-L361 PolarHBondContact O-N 3.03Å
360	I	62	Low	42.1	Very low	13 Å²	13	104 Å²	104	7%	0.067	57%	0.566	C	S	.	*			trans	-78.6	115.3	168.7	-51.7	163.1	0	0	0	107.2	V362 A441 P577 R579	I360-V362 HydrophobicContact CB-CG2 4.44Å; I360-V362 HydrophobicContact CG2-CG2 3.87Å; I360-V362 PolarHBondContact O-N 2.63Å; I360-V362 VanDerWaalsContact O-N 3.15Å; I360-A441 HydrophobicContact CD1-CB 3.9Å; I360-P577 HydrophobicContact CB-CB 4.09Å; I360-P577 HydrophobicContact CB-CG 4.12Å; I360-P577 HydrophobicContact CD1-CB 3.88Å; I360-P577 HydrophobicContact CG1-CB 4.39Å; I360-P577 PolarHBondContact N-O 2.75Å; I360-P577 WeakPolarHBondContact O-CG 3.47Å; I360-R579 HydrophobicContact CD1-CG 3.53Å; I360-R579 VanDerWaalsContact CD1-NE 3.33Å; I360-R579 HydrophobicContact CG1-CG 3.67Å
361	L	53.9	Low	41.7	Very low	128 Å²	128	102.7 Å²	102.7	67%	0.67	56%	0.561	S	S	*	*			trans	-72	110.4	171.6	-63.7	175.7	0	0	0	109.3	H359	H359-L361 PolarHBondContact O-N 3.03Å
362	V	51.5	Low	41.4	Very low	35 Å²	35	104.1 Å²	104.1	21%	0.212	56%	0.56	C	S	.	*			trans	-112.2	132.5	174.5	179	0	0	0	0	109	I360 D364 A441 A495 P577	I360-V362 HydrophobicContact CB-CG2 4.44Å; I360-V362 HydrophobicContact CG2-CG2 3.87Å; I360-V362 PolarHBondContact O-N 2.63Å; I360-V362 VanDerWaalsContact O-N 3.15Å; V362-D364 WeakPolarHBondContact CG1-OD1 3.19Å; V362-A441 HydrophobicContact CG2-CB 4.27Å; V362-A495 HydrophobicContact CB-CB 3.99Å; V362-A495 HydrophobicContact CG1-CB 3.74Å; V362-A495 HydrophobicContact CG2-CB 3.79Å; V362-P577 HydrophobicContact CG2-CG 4.01Å
363	R	43.5	Very low	41	Very low	184 Å²	184	99.2 Å²	99.2	69%	0.694	55%	0.553	S	S	*	*			trans	-93.8	100.1	168.2	-74.9	-177	178.6	162.7	-2.9	107.8
364	D	38.8	Very low	40.5	Very low	60 Å²	60	102.6 Å²	102.6	32%	0.321	56%	0.556	S	S	.	*			trans	-85.8	124.8	168.5	-76.1	-24.4	0	0	0	109	V362 I366	V362-D364 WeakPolarHBondContact CG1-OD1 3.19Å; D364-I366 PolarHBondContact O-N 2.75Å
365	N	35.9	Very low	39.9	Very low	158 Å²	158	98.7 Å²	98.7	85%	0.845	55%	0.553	S	S	*	*			trans	-86.5	21.4	179.8	-105.2	9.6	0	0	0	112.9
366	I	36.6	Very low	39.1	Very low	141 Å²	141	101.7 Å²	101.7	72%	0.723	57%	0.572	S	S	*	*	S	Bend	trans	-100.3	99.7	-178.9	-51.4	-176.7	0	0	0	108.3	D364	D364-I366 PolarHBondContact O-N 2.75Å
367	I	31.5	Very low	37.9	Very low	166 Å²	166	102.2 Å²	102.2	85%	0.851	58%	0.582	S	S	*	*	S	Bend	trans	40.3	98.8	158.4	-48.2	176.3	0	0	0	115.5
368	G	26.3	Very low	36.4	Very low	69 Å²	69	106 Å²	106	71%	0.711	62%	0.618	S	S	*	*	S	Bend	trans	89.2	100.9	158.8	0	0	0	0	0	115.3
369	E	26.2	Very low	35	Very low	138 Å²	138	104.6 Å²	104.6	65%	0.645	62%	0.623	S	S	*	*			trans	72.2	97.8	160.5	-66.4	174.5	161.7	0	0	118.5	L344 A371	L344-E369 VanDerWaalsContact CD1-CD 3.44Å; L344-E369 WeakPolarHBondContact CD1-OE1 3.45Å; L344-E369 WeakPolarHBondContact CD2-OE2 3.49Å; L344-E369 VanDerWaalsContact CG-OE1 3.23Å; L344-E369 WeakPolarHBondContact CG-OE1 3.29Å; L344-E369 WeakPolarHBondContact CG-OE2 3.37Å; E369-A371 PolarHBondContact O-N 2.04Å; E369-A371 VanDerWaalsContact O-N 3.09Å
370	S	25.3	Very low	33.1	Very low	104 Å²	104	108.7 Å²	108.7	73%	0.727	66%	0.655	S	S	*	*			trans	-45.7	105.8	157.3	43.6	0	0	0	0	113.1	I372	S370-I372 VanDerWaalsContact C-N 3.34Å; S370-I372 PolarHBondContact O-N 3.38Å
371	A	27.2	Very low	31.4	Very low	70 Å²	70	112.8 Å²	112.8	58%	0.579	69%	0.691	S	S	*	*			trans	-74.1	86	163.8	0	0	0	0	0	110	E369 A373	E369-A371 PolarHBondContact O-N 2.04Å; E369-A371 VanDerWaalsContact O-N 3.09Å; A371-A373 PolarHBondContact O-N 3.06Å
372	I	29.3	Very low	30	Very low	129 Å²	129	118 Å²	118	66%	0.662	70%	0.702	S	S	*	*			trans	-86.2	94.7	166.7	-58	175	0	0	0	107.7	S370 K374	S370-I372 VanDerWaalsContact C-N 3.34Å; S370-I372 PolarHBondContact O-N 3.38Å; I372-K374 PolarHBondContact O-N 2.99Å
373	A	29.4	Very low	28.7	Very low	55 Å²	55	124.9 Å²	124.9	46%	0.455	74%	0.736	S	S	.	*			trans	-79.3	98.2	165.7	0	0	0	0	0	109.4	A371 G375	A371-A373 PolarHBondContact O-N 3.06Å; A373-G375 PolarHBondContact O-N 3.33Å
374	K	24.7	Very low	27.8	Very low	208 Å²	208	121.1 Å²	121.1	90%	0.904	74%	0.738	S	S	*	*			trans	-69.2	104.7	157.8	-87.2	-178.3	174.5	176.8	0	107.7	I372	I372-K374 PolarHBondContact O-N 2.99Å
375	G	27.4	Very low	27.4	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	76%	0.762	S	S	*	*			trans	-124.2	123.2	171.3	0	0	0	0	0	110.2	A373	A373-G375 PolarHBondContact O-N 3.33Å
376	S	26	Very low	27.1	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	76%	0.761	S	S	*	*			trans	-56.7	138.7	-157	-157.5	0	0	0	0	117.2
377	S	24.7	Very low	26.7	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	76%	0.761	S	S	*	*			trans	-61.7	147.8	153.3	51.5	0	0	0	0	111
378	A	25.2	Very low	26.7	Very low	104 Å²	104	123.3 Å²	123.3	86%	0.86	76%	0.762	S	S	*	*			trans	-127.2	92.3	161.6	0	0	0	0	0	108.8
379	S	26.6	Very low	26.7	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	77%	0.765	S	S	*	*				-178	116.2	129.2	73.8	0	0	0	0	110.5
380	C	23.8	Very low	26.8	Very low	133 Å²	133	127.6 Å²	127.6	90%	0.899	77%	0.77	S	S	*	*			trans	60.6	130.8	151.8	-52.4	0	0	0	0	117.4
381	A	25.9	Very low	26.8	Very low	99 Å²	99	127.4 Å²	127.4	82%	0.818	77%	0.769	S	S	*	*			cis	-158.1	153.5	43.2	0	0	0	0	0	112.5
382	R	23.8	Very low	26.8	Very low	239 Å²	239	131.9 Å²	131.9	90%	0.902	78%	0.782	S	S	*	*			trans	-57.8	139.5	171.9	-65.5	173.3	172.6	149.4	-3.4	111.8
383	L	25.5	Very low	26.5	Very low	178 Å²	178	133.3 Å²	133.3	93%	0.932	79%	0.79	S	S	*	*			trans	-147	112.6	140.3	-87.5	172.8	0	0	0	108.9
384	S	22.7	Very low	26.7	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	80%	0.802	S	S	*	*			trans	-71.7	139.1	168.7	-61.4	0	0	0	0	110.5
385	I	31.1	Very low	26.8	Very low	158 Å²	158	131.7 Å²	131.7	81%	0.81	79%	0.794	S	S	*	*			trans	-148.3	106.9	141	-53	-176.9	0	0	0	109.4
386	N	29.3	Very low	26.7	Very low	154 Å²	154	134 Å²	134	82%	0.824	79%	0.794	S	S	*	*			trans	22.6	127.8	136.8	-51.4	-16	0	0	0	120.4
387	G	29.8	Very low	26.7	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	79%	0.792	S	S	*	*			trans	143.9	100.2	151.1	0	0	0	0	0	113.3
388	E	29.9	Very low	26.7	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	80%	0.797	S	S	*	*			trans	42.8	138.8	146.1	-66.8	176.6	155.2	0	0	119.8
389	M	26.1	Very low	26.9	Very low	157 Å²	157	133.3 Å²	133.3	77%	0.773	80%	0.796	S	S	*	*			cis	-179.7	167.7	-10	-144.1	177.8	-172.2	0	0	104.1
390	N	29.8	Very low	26.7	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	80%	0.802	S	S	*	*			trans	83.1	92.9	167.6	-47.4	-27	0	0	0	114.4
391	S	25.4	Very low	27	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	80%	0.8	S	S	*	*				54.3	110.6	85.1	-162.3	0	0	0	0	109.8
392	L	26.7	Very low	27	Very low	164 Å²	164	140 Å²	140	86%	0.859	80%	0.798	S	S	*	*				-170.6	133.3	79.2	-78.1	156.6	0	0	0	109
393	L	23.7	Very low	27.1	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	79%	0.786	S	S	*	*			trans	-71.6	-172.9	151.5	-69.4	166.7	0	0	0	108.7
394	P	32.4	Very low	27.4	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	79%	0.786	S	S	*	*			cis	-129.4	-160.2	-46.7	25.4	-2.7	0	0	0	110.4
395	V	26.6	Very low	27.6	Very low	122 Å²	122	135 Å²	135	74%	0.739	79%	0.791	S	S	*	*			trans	102.6	121.9	147.7	-170.3	0	0	0	0	119.6
396	T	26.4	Very low	27.6	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	79%	0.792	S	S	*	*			trans	-3.2	147.3	158.9	64.5	0	0	0	0	124.8
397	S	24.3	Very low	27.6	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	79%	0.788	S	S	*	*			trans	86.8	123.7	136.1	82.6	0	0	0	0	122
398	S	25.7	Very low	27.4	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	79%	0.791	S	S	*	*			trans	63.3	125.1	138	63.6	0	0	0	0	120.1
399	G	28.6	Very low	27.5	Very low	82 Å²	82	130.9 Å²	130.9	85%	0.845	79%	0.788	S	S	*	*			trans	157.3	100.6	158.9	0	0	0	0	0	113.2
400	E	23.6	Very low	27.5	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	79%	0.79	S	S	*	*			trans	-85.6	127.8	170.3	-180	-179.3	-158.4	0	0	109.3
401	I	29.3	Very low	27.7	Very low	166 Å²	166	128.5 Å²	128.5	85%	0.851	79%	0.789	S	S	*	*			trans	-144.6	131.8	160.5	-58.4	-176.2	0	0	0	109.7
402	T	27	Very low	27.8	Very low	126 Å²	126	130.4 Å²	130.4	77%	0.773	79%	0.791	S	S	*	*			trans	-80.7	152.5	-177.8	33.6	0	0	0	0	114.8
403	G	25.2	Very low	27.9	Very low	64 Å²	64	129 Å²	129	66%	0.66	79%	0.789	S	S	*	*			trans	77.2	114.9	138.3	0	0	0	0	0	119.9
404	N	31	Very low	28.1	Very low	172 Å²	172	132.2 Å²	132.2	92%	0.92	79%	0.792	S	S	*	*				-179.4	145.6	113.6	-88.1	-9.6	0	0	0	112.6
405	E	27.7	Very low	27.8	Very low	181 Å²	181	129.5 Å²	129.5	85%	0.846	78%	0.783	S	S	*	*			trans	-81.1	-173.6	-172.1	-57.5	177.4	150.1	0	0	113.8
406	I	30.3	Very low	27.7	Very low	160 Å²	160	133 Å²	133	82%	0.821	79%	0.789	S	S	*	*			trans	109.7	138.7	162	-48.7	154.2	0	0	0	113.8
407	P	29.9	Very low	27.6	Very low	114 Å²	114	135 Å²	135	74%	0.74	79%	0.794	S	S	*	*				-131.7	177.9	-58.9	39.3	-19.1	0	0	0	111.7
408	G	25.1	Very low	27.5	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	79%	0.791	S	S	*	*			trans	-67.2	131.6	-175.8	0	0	0	0	0	116.3
409	T	31.9	Very low	27.5	Very low	136 Å²	136	134.5 Å²	134.5	83%	0.834	78%	0.781	S	S	*	*			trans	-155.6	114.8	145.9	-29.9	0	0	0	0	108.5
410	V	27.7	Very low	27.3	Very low	135 Å²	135	137.9 Å²	137.9	82%	0.818	78%	0.775	S	S	*	*			trans	-90.4	130.5	175.5	176	0	0	0	0	108.6
411	P	32.8	Very low	27.3	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	76%	0.764	S	S	*	*			trans	-97.1	127.8	155.3	4.2	15.8	0	0	0	110	V413	P411-V413 PolarHBondContact O-N 3.01Å
412	D	27.6	Very low	27	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	77%	0.767	S	S	*	*			trans	-38.9	124.3	170.3	-93.4	-42.9	0	0	0	114.1
413	V	30.3	Very low	27	Very low	134 Å²	134	130.1 Å²	130.1	81%	0.812	76%	0.76	S	S	*	*			trans	-127.7	92	155.3	-176.3	0	0	0	0	108.4	P411 G415	P411-V413 PolarHBondContact O-N 3.01Å; V413-G415 VanDerWaalsContact C-N 3.27Å; V413-G415 PolarHBondContact O-N 2.81Å
414	Y	26.8	Very low	27.3	Very low	228 Å²	228	132.9 Å²	132.9	89%	0.894	77%	0.769	S	S	*	*			trans	-60.2	90.6	157.6	-98.5	-96.7	0	0	0	108.9
415	G	27	Very low	27.2	Very low	50 Å²	50	128.2 Å²	128.2	52%	0.515	76%	0.762	S	S	.	*			trans	-128.1	98.6	174.2	0	0	0	0	0	110.2	V413 L417	V413-G415 VanDerWaalsContact C-N 3.27Å; V413-G415 PolarHBondContact O-N 2.81Å; G415-L417 PolarHBondContact O-N 3.38Å
416	K	23.5	Very low	27.2	Very low	196 Å²	196	123.4 Å²	123.4	85%	0.852	76%	0.761	S	S	*	*			trans	-59	98.1	173.9	-171.2	-180	-174.7	178.9	0	109.2	V418	K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 HydrophobicContact CG-CG2 4.31Å; K416-V418 PolarHBondContact O-N 2.92Å
417	L	23.9	Very low	27.2	Very low	161 Å²	161	121.9 Å²	121.9	84%	0.843	76%	0.764	S	S	*	*			trans	-70.3	90.9	172.4	-118	95.9	0	0	0	109.1	G415 T419	G415-L417 PolarHBondContact O-N 3.38Å; L417-T419 PolarHBondContact O-N 2.96Å
418	V	23	Very low	27.2	Very low	103 Å²	103	120.5 Å²	120.5	62%	0.624	76%	0.762	S	S	*	*			trans	-69.1	103.6	164.1	178	0	0	0	0	106.6	K416 Q420	K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 HydrophobicContact CG-CG2 4.31Å; K416-V418 PolarHBondContact O-N 2.92Å; V418-Q420 HydrophobicContact CG1-CB 4.34Å; V418-Q420 PolarHBondContact O-N 2.93Å
419	T	26.2	Very low	27.3	Very low	105 Å²	105	121.9 Å²	121.9	64%	0.644	75%	0.752	S	S	*	*			trans	-70	87.5	160	52.4	0	0	0	0	107.2	L417 A421	L417-T419 PolarHBondContact O-N 2.96Å; T419-A421 PolarHBondContact O-N 2.93Å
420	Q	23.3	Very low	27.1	Very low	153 Å²	153	118.2 Å²	118.2	72%	0.715	74%	0.741	S	S	*	*			trans	-66	118.7	169.5	-160.5	169	-5.2	0	0	106.7	V418 C422	V418-Q420 HydrophobicContact CG1-CB 4.34Å; V418-Q420 PolarHBondContact O-N 2.93Å; Q420-C422 PolarHBondContact O-N 3.21Å
421	A	23.4	Very low	27	Very low	75 Å²	75	122.9 Å²	122.9	62%	0.62	75%	0.745	S	S	*	*			trans	-51	142.8	166.4	0	0	0	0	0	108	T419 T423	T419-A421 PolarHBondContact O-N 2.93Å; A421-T423 PolarHBondContact O-N 3.16Å
422	C	23.4	Very low	26.7	Very low	135 Å²	135	126 Å²	126	91%	0.912	75%	0.75	S	S	*	*			trans	-59.4	86.9	169.9	-60	0	0	0	0	108.7	Q420 S424	Q420-C422 PolarHBondContact O-N 3.21Å; C422-S424 PolarHBondContact O-N 2.65Å
423	T	27.7	Very low	26.7	Very low	104 Å²	104	127.6 Å²	127.6	64%	0.638	75%	0.753	S	S	*	*			trans	-77.5	96	163.4	46.2	0	0	0	0	104.8	A421 G425	A421-T423 PolarHBondContact O-N 3.16Å; T423-G425 PolarHBondContact O-N 3.44Å
424	S	31	Very low	26.7	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	75%	0.753	S	S	*	*			trans	-54.6	109.5	161.8	-69.8	0	0	0	0	107.1	C422 G426	C422-S424 PolarHBondContact O-N 2.65Å; S424-G426 PolarHBondContact O-N 2.99Å
425	G	28.4	Very low	27	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	74%	0.739	S	S	*	*			trans	-62.3	131.3	175.5	0	0	0	0	0	110.7	T423	T423-G425 PolarHBondContact O-N 3.44Å
426	G	27.4	Very low	28.1	Very low	79 Å²	79	121.9 Å²	121.9	81%	0.814	72%	0.724	S	S	*	*			trans	57.6	91.4	141.4	0	0	0	0	0	118.2	S424	S424-G426 PolarHBondContact O-N 2.99Å
427	S	31.6	Very low	30	Very low	129 Å²	129	121 Å²	121	90%	0.902	72%	0.721	S	S	*	*				-166.6	125.4	105.1	-142.5	0	0	0	0	109.9
428	A	29.2	Very low	31.9	Very low	84 Å²	84	114 Å²	114	69%	0.694	68%	0.684	S	S	*	*			trans	-72.2	163.5	-172.1	0	0	0	0	0	113.7
429	D	27	Very low	34.1	Very low	105 Å²	105	111.9 Å²	111.9	56%	0.561	67%	0.672	S	S	*	*			trans	83.4	81.7	170.5	-59	-16.9	0	0	0	117.6	I306	I306-D429 WeakPolarHBondContact CG2-OD2 3.46Å
430	G	27.5	Very low	36.1	Very low	59 Å²	59	107.5 Å²	107.5	61%	0.608	65%	0.648	S	S	*	*	S	Bend	trans	-170	100.2	159.7	0	0	0	0	0	110	H432	G430-H432 PolarHBondContact O-N 2.94Å
431	Y	25.3	Very low	38.5	Very low	233 Å²	233	100.3 Å²	100.3	91%	0.914	61%	0.614	S	S	*	*			trans	0.9	88.1	170.5	-86.3	-93.5	0	0	0	113.8	H433	Y431-H433 PolarHBondContact O-N 3.41Å
432	H	27.3	Very low	40.7	Very low	178 Å²	178	96.7 Å²	96.7	82%	0.824	59%	0.585	S	S	*	*			trans	-65.6	88.9	166.4	-80.2	-76.4	0	0	0	106.9	G430 H434	G430-H432 PolarHBondContact O-N 2.94Å; H432-H434 PolarHBondContact O-N 2.94Å
433	H	27.9	Very low	43	Very low	172 Å²	172	90.5 Å²	90.5	80%	0.796	54%	0.543	S	S	*	.			trans	-54.6	100	145.3	-90.7	-73.6	0	0	0	104.8	Y431 S435	Y431-H433 PolarHBondContact O-N 3.41Å; H433-S435 PolarHBondContact O-N 2.93Å
434	H	29.2	Very low	45.9	Very low	178 Å²	178	85.5 Å²	85.5	82%	0.824	51%	0.513	S	S	*	.			trans	-57	78.8	155	-98.8	-76	0	0	0	105.8	H432 S436	H432-H434 PolarHBondContact O-N 2.94Å; H434-S436 PolarHBondContact O-N 3.11Å
435	S	34.8	Very low	48.8	Very low	85 Å²	85	80 Å²	80	59%	0.594	47%	0.474	S	S	*	.			trans	-58.4	104.6	153.9	177	0	0	0	0	102.8	H433 K437	H433-S435 PolarHBondContact O-N 2.93Å; S435-K437 PolarHBondContact O-N 3.25Å
436	S	48.8	Very low	51.9	Low	30 Å²	30	76.4 Å²	76.4	21%	0.21	44%	0.437	C	S	.	.			trans	-58.8	108.4	-179.1	56.1	0	0	0	0	105.4	H434 L438 E624 W629	H434-S436 PolarHBondContact O-N 3.11Å; S436-L438 PolarHBondContact O-N 2.84Å; S436-E624 PolarHBondContact N-OE1 3.18Å; S436-E624 PolarHBondContact OG-OE1 3.33Å; S436-W629 PolarHBondContact O-NE1 3.43Å; S436-W629 PolarHBondContact OG-NE1 3.08Å
437	K	63.2	Low	55.1	Low	178 Å²	178	73.1 Å²	73.1	77%	0.774	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-58.1	116.8	179.9	-166.6	173.7	-175.2	178.3	0	105.8	S435 P439	S435-K437 PolarHBondContact O-N 3.25Å; K437-P439 WeakPolarHBondContact O-CD 3.07Å; K437-P439 VanDerWaalsContact O-N 3.11Å
438	L	65.4	Low	57.9	Low	13 Å²	13	70.4 Å²	70.4	7%	0.068	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-52.3	123.4	-178	177.3	63.3	0	0	0	107.1	S436 F551 R579 L622 W629	S436-L438 PolarHBondContact O-N 2.84Å; L438-F551 HydrophobicContact CD1-CD1 4.47Å; L438-F551 HydrophobicContact CD1-CE1 3.55Å; L438-F551 HydrophobicContact CD1-CZ 3.94Å; L438-R579 HydrophobicContact CD2-CG 4.26Å; L438-R579 VanDerWaalsContact CD2-NE 3.32Å; L438-R579 VanDerWaalsContact CG-CZ 3.48Å; L438-R579 PolarHBondContact O-NH1 2.89Å; L438-R579 PolarHBondContact O-NH2 2.9Å; L438-L622 HydrophobicContact CD1-CB 4.48Å; L438-L622 HydrophobicContact CD1-CD1 3.94Å; L438-L622 HydrophobicContact CD2-CB 4.44Å; L438-L622 HydrophobicContact CD2-CD1 3.78Å; L438-L622 HydrophobicContact CG-CD1 4.43Å; L438-W629 HydrophobicContact CB-CD2 4.07Å; L438-W629 HydrophobicContact CB-CG 4.4Å; L438-W629 HydrophobicContact CB-CZ2 3.93Å; L438-W629 HydrophobicContact CD1-CB 3.59Å; L438-W629 HydrophobicContact CD1-CD2 3.35Å; L438-W629 HydrophobicContact CD1-CE3 3.82Å; L438-W629 HydrophobicContact CD1-CG 3.2Å; L438-W629 HydrophobicContact CG-CD2 4.17Å; L438-W629 HydrophobicContact CG-CG 4.35Å
439	P	67.4	Low	60.8	Low	58 Å²	58	68.3 Å²	68.3	38%	0.377	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-92.5	150.5	-177.8	29.4	-18.6	0	0	0	110.3	K437 E549 R579	K437-P439 WeakPolarHBondContact O-CD 3.07Å; K437-P439 VanDerWaalsContact O-N 3.11Å; P439-E549 VanDerWaalsContact CB-OE1 3.27Å; P439-E549 WeakPolarHBondContact CB-OE1 3.33Å; P439-E549 WeakPolarHBondContact CB-OE2 3.46Å; P439-E549 WeakPolarHBondContact CG-OE2 3.48Å; P439-R579 PolarHBondContact O-NH2 3.05Å
440	G	68.1	Low	63.7	Low	14 Å²	14	67.5 Å²	67.5	14%	0.144	35%	0.349	C	S	.	.	S	Bend	trans	61.7	168	172.8	0	0	0	0	0	120.5	E549 R579	G440-E549 PolarHBondContact N-OE1 2.55Å; G440-R579 PolarHBondContact O-NH2 3.5Å
441	A	73.5	Confident	66.4	Low	1 Å²	1	68.3 Å²	68.3	1%	0.008	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-96.1	157.5	167.2	0	0	0	0	0	110.1	I360 V362 G443 A495 G547 V548 E549 P577	I360-A441 HydrophobicContact CD1-CB 3.9Å; V362-A441 HydrophobicContact CG2-CB 4.27Å; A441-G443 PolarHBondContact O-N 3.22Å; A441-A495 HydrophobicContact CB-CB 3.76Å; A441-G547 PolarHBondContact N-O 2.83Å; A441-V548 WeakPolarHBondContact O-CA 2.98Å; A441-E549 PolarHBondContact O-N 2.95Å; A441-P577 HydrophobicContact CB-CB 3.54Å; A441-P577 HydrophobicContact CB-CG 4.31Å
442	S	69.7	Low	69.2	Low	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.351	C	S	.	.			trans	-77.1	-15.8	174.9	-65.9	0	0	0	0	113	V444 S569 P620	S442-V444 WeakPolarHBondContact O-CG2 3.01Å; S442-V444 PolarHBondContact O-N 2.92Å; S442-S569 PolarHBondContact N-OG 2.78Å; S442-S569 WeakPolarHBondContact OG-CB 3.25Å; S442-S569 PolarHBondContact OG-OG 3Å; S442-P620 WeakPolarHBondContact OG-CG 3.34Å
443	G	72.6	Confident	72	Confident	4 Å²	4	57.3 Å²	57.3	4%	0.041	34%	0.335	C	S	.	.			trans	44.8	32.9	156.2	0	0	0	0	0	117.8	A441 V493 G494	A441-G443 PolarHBondContact O-N 3.22Å; G443-V493 CarbonylContact O-C 3.46Å; G443-V493 WeakPolarHBondContact O-CA 3.14Å; G443-G494 CarbonylContact C-O 3.53Å; G443-G494 WeakPolarHBondContact CA-O 3.39Å; G443-G494 CarbonylContact O-C 3.56Å; G443-G494 PolarHBondContact O-N 2.99Å
444	V	89.3	Confident	74.8	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.5	177.5	178.8	0	0	0	0	108.9	S442 T459 G460 L462 V474 V491 Y492 V493	S442-V444 WeakPolarHBondContact O-CG2 3.01Å; S442-V444 PolarHBondContact O-N 2.92Å; V444-T459 CarbonylContact O-C 3.19Å; V444-T459 WeakPolarHBondContact O-CA 3.35Å; V444-T459 WeakPolarHBondContact O-CG2 3.47Å; V444-G460 PolarHBondContact O-N 3.03Å; V444-L462 HydrophobicContact CG2-CB 4.48Å; V444-L462 HydrophobicContact CG2-CD1 4.34Å; V444-L462 HydrophobicContact CG2-CG 3.79Å; V444-V474 HydrophobicContact CG1-CG1 3.69Å; V444-V474 HydrophobicContact CG1-CG2 4.11Å; V444-V491 HydrophobicContact CG1-CG1 3.54Å; V444-Y492 WeakPolarHBondContact CA-O 3.33Å; V444-V493 HydrophobicContact CG2-CG1 4.44Å; V444-V493 HydrophobicContact CG2-CG2 4.38Å
445	H	91.9	Very high	77.7	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.023	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.4	-179.4	-61.3	-66.7	0	0	0	110	F447 V491 Y492 L497 V571	H445-F447 HydrophobicContact CB-CD2 4.46Å; H445-F447 HydrophobicContact CB-CE2 3.72Å; H445-F447 HydrophobicContact CB-CZ 4.41Å; H445-V491 WeakPolarHBondContact O-CA 3.27Å; H445-Y492 PolarHBondContact N-O 3.17Å; H445-Y492 PolarHBondContact O-N 3.45Å; H445-L497 HydrophobicContact CB-CD1 3.86Å; H445-V571 VanDerWaalsContact CE1-CG1 3.4Å; H445-V571 WeakPolarHBondContact CE1-CG1 3.37Å; H445-V571 VanDerWaalsContact CE1-CG2 3.43Å; H445-V571 WeakPolarHBondContact CE1-CG2 3.1Å; H445-V571 VanDerWaalsContact NE2-CG1 3.31Å; H445-V571 WeakPolarHBondContact NE2-CG1 3.32Å
446	I	93.4	Very high	80.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.4	-175.4	-58.7	163.5	0	0	0	108.3	L457 C458 T476 V481 Y489 V491 L536	I446-L457 PolarHBondContact O-N 2.9Å; I446-C458 HydrophobicContact CD1-CB 4.49Å; I446-C458 PolarHBondContact N-O 3.07Å; I446-C458 PolarHBondContact O-N 2.85Å; I446-T476 HydrophobicContact CD1-CG2 3.64Å; I446-T476 WeakPolarHBondContact CD1-OG1 2.86Å; I446-V481 HydrophobicContact CD1-CG2 4.38Å; I446-V481 HydrophobicContact CG2-CG2 3.83Å; I446-Y489 HydrophobicContact CG2-CD1 4.39Å; I446-V491 HydrophobicContact CG1-CG2 4.4Å; I446-L536 HydrophobicContact CD1-CD1 3.9Å; I446-L536 HydrophobicContact CG1-CD1 4.09Å; I446-L536 HydrophobicContact CG2-CD1 4.4Å
447	F	92.9	Very high	82.2	Confident	9 Å²	9	45.4 Å²	45.4	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.5	-179.5	-67.7	-98.2	0	0	0	110.7	H445 I454 E455 A456 Y489 R490 L497 L506 L510	H445-F447 HydrophobicContact CB-CD2 4.46Å; H445-F447 HydrophobicContact CB-CE2 3.72Å; H445-F447 HydrophobicContact CB-CZ 4.41Å; F447-I454 HydrophobicContact CB-CG2 4.07Å; F447-I454 HydrophobicContact CD1-CG2 3.58Å; F447-I454 HydrophobicContact CE1-CG2 4.33Å; F447-I454 HydrophobicContact CG-CG2 4.1Å; F447-E455 CarbonylContact C-O 3.53Å; F447-E455 WeakPolarHBondContact CA-O 3.35Å; F447-A456 VanDerWaalsContact CD1-CA 3.48Å; F447-A456 HydrophobicContact CD1-CB 3.91Å; F447-A456 HydrophobicContact CE1-CB 3.55Å; F447-A456 HydrophobicContact CZ-CB 4.15Å; F447-Y489 WeakPolarHBondContact O-CA 3.13Å; F447-R490 PolarHBondContact N-O 3.14Å; F447-R490 PolarHBondContact O-N 2.99Å; F447-L497 HydrophobicContact CE2-CD1 4.45Å; F447-L497 HydrophobicContact CZ-CD1 3.87Å; F447-L506 HydrophobicContact CE1-CD2 4.38Å; F447-L510 HydrophobicContact CB-CD1 4.41Å; F447-L510 HydrophobicContact CB-CD2 4.46Å; F447-L510 HydrophobicContact CD2-CD2 3.63Å; F447-L510 HydrophobicContact CE2-CD2 4.12Å; F447-L510 HydrophobicContact CG-CD2 4.18Å
448	K	91.9	Very high	83.6	Confident	73 Å²	73	37.2 Å²	37.2	32%	0.317	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.4	167.9	-170.9	-178.5	-178.7	-177.5	0	109.1	V450 E455 L457 K488 Y489	K448-V450 HydrophobicContact CD-CG2 4.3Å; K448-V450 HydrophobicContact CG-CG2 4.08Å; K448-E455 PolarHBondContact N-O 2.99Å; K448-E455 PolarHBondContact O-N 3.35Å; K448-L457 HydrophobicContact CB-CD1 3.61Å; K448-L457 HydrophobicContact CB-CD2 4.2Å; K448-L457 HydrophobicContact CB-CG 3.87Å; K448-L457 HydrophobicContact CD-CD1 4.28Å; K448-L457 HydrophobicContact CG-CD1 4.44Å; K448-K488 CarbonylContact C-O 3.57Å; K448-K488 WeakPolarHBondContact CA-O 3.38Å; K448-Y489 HydrophobicContact CG-CE1 4.48Å
449	V	90.4	Very high	84.9	Confident	39 Å²	39	36.6 Å²	36.6	24%	0.236	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.5	178.8	-174	0	0	0	0	108.5	S453 I454 K488 R490	V449-S453 WeakPolarHBondContact CA-O 3.09Å; V449-I454 HydrophobicContact CG1-CG1 4.46Å; V449-I454 HydrophobicContact CG2-CG1 4.27Å; V449-K488 PolarHBondContact N-O 3.16Å; V449-R490 HydrophobicContact CG2-CB 4.11Å; V449-R490 HydrophobicContact CG2-CG 3.56Å
450	V	87.5	Confident	86.1	Confident	89 Å²	89	33.9 Å²	33.9	54%	0.539	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	104.1	177	-175.2	0	0	0	0	108.1	K448 S452 S453	K448-V450 HydrophobicContact CD-CG2 4.3Å; K448-V450 HydrophobicContact CG-CG2 4.08Å; V450-S452 PolarHBondContact O-N 2.95Å; V450-S453 PolarHBondContact N-O 3.02Å; V450-S453 WeakPolarHBondContact O-CB 3.04Å; V450-S453 PolarHBondContact O-N 3.44Å
451	G	84.6	Confident	87.2	Confident	76 Å²	76	33.2 Å²	33.2	78%	0.784	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-121.8	-172	0	0	0	0	0	110.7
452	S	82.4	Confident	88.1	Confident	110 Å²	110	33.3 Å²	33.3	77%	0.769	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.9	175.2	53.7	0	0	0	0	114.1	V450 V503	V450-S452 PolarHBondContact O-N 2.95Å; S452-V503 WeakPolarHBondContact O-CG1 3.48Å
453	S	87.1	Confident	89.1	Confident	70 Å²	70	35.4 Å²	35.4	49%	0.49	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.8	179.6	-173.1	0	0	0	0	111.4	V449 V450	V449-S453 WeakPolarHBondContact CA-O 3.09Å; V450-S453 PolarHBondContact N-O 3.02Å; V450-S453 WeakPolarHBondContact O-CB 3.04Å; V450-S453 PolarHBondContact O-N 3.44Å
454	I	87.3	Confident	89.7	Confident	38 Å²	38	36.4 Å²	36.4	20%	0.195	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111.9	174.3	-58.7	179.1	0	0	0	107.9	F447 V449 V503 L506 L510	F447-I454 HydrophobicContact CB-CG2 4.07Å; F447-I454 HydrophobicContact CD1-CG2 3.58Å; F447-I454 HydrophobicContact CE1-CG2 4.33Å; F447-I454 HydrophobicContact CG-CG2 4.1Å; V449-I454 HydrophobicContact CG1-CG1 4.46Å; V449-I454 HydrophobicContact CG2-CG1 4.27Å; I454-V503 HydrophobicContact CD1-CG1 3.78Å; I454-V503 HydrophobicContact CG1-CG1 4.06Å; I454-L506 HydrophobicContact CB-CD2 4.43Å; I454-L506 HydrophobicContact CD1-CB 4.47Å; I454-L506 HydrophobicContact CD1-CD2 4.39Å; I454-L506 HydrophobicContact CD1-CG 4.35Å; I454-L506 HydrophobicContact CG2-CD2 3.8Å; I454-L506 HydrophobicContact CG2-CG 4.42Å; I454-L510 HydrophobicContact CD1-CD1 4.12Å; I454-L510 HydrophobicContact CG2-CD1 3.92Å
455	E	89	Confident	89.4	Confident	113 Å²	113	41.2 Å²	41.2	53%	0.528	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127	-178.1	-174.7	-176.4	-175.9	0	0	110.4	F447 K448 L457	F447-E455 CarbonylContact C-O 3.53Å; F447-E455 WeakPolarHBondContact CA-O 3.35Å; K448-E455 PolarHBondContact N-O 2.99Å; K448-E455 PolarHBondContact O-N 3.35Å; E455-L457 HydrophobicContact CG-CD2 4.24Å; E455-L457 PolarHBondContact O-N 2.82Å
456	A	88.3	Confident	88.9	Confident	22 Å²	22	49.7 Å²	49.7	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.4	171.1	0	0	0	0	0	109.2	F447 H615	F447-A456 VanDerWaalsContact CD1-CA 3.48Å; F447-A456 HydrophobicContact CD1-CB 3.91Å; F447-A456 HydrophobicContact CE1-CB 3.55Å; F447-A456 HydrophobicContact CZ-CB 4.15Å; A456-H615 PolarHBondContact O-CD2 2.82Å; A456-H615 PolarHBondContact O-NE2 2.96Å
457	L	90.8	Very high	88.3	Confident	41 Å²	41	53.7 Å²	53.7	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-52.4	-179.3	-65.5	-173.7	0	0	0	111.9	I446 K448 E455 Y489 H615	I446-L457 PolarHBondContact O-N 2.9Å; K448-L457 HydrophobicContact CB-CD1 3.61Å; K448-L457 HydrophobicContact CB-CD2 4.2Å; K448-L457 HydrophobicContact CB-CG 3.87Å; K448-L457 HydrophobicContact CD-CD1 4.28Å; K448-L457 HydrophobicContact CG-CD1 4.44Å; E455-L457 HydrophobicContact CG-CD2 4.24Å; E455-L457 PolarHBondContact O-N 2.82Å; L457-Y489 HydrophobicContact CD1-CD1 4.36Å; L457-Y489 HydrophobicContact CD1-CE1 3.89Å; L457-H615 PolarHBondContact O-CD2 2.86Å
458	C	92.8	Very high	87.9	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	173.7	-162.5	-50.2	0	0	0	0	112.2	I446 C480 I617	I446-C458 HydrophobicContact CD1-CB 4.49Å; I446-C458 PolarHBondContact N-O 3.07Å; I446-C458 PolarHBondContact O-N 2.85Å; C458-C480 HydrophobicContact CB-CB 3.77Å; C458-C480 WeakPolarHBondContact CB-SG 3.4Å; C458-C480 VanDerWaalsContact SG-CA 3.52Å; C458-C480 WeakPolarHBondContact SG-CB 3.27Å; C458-C480 CovalentContact SG-SG 1.99Å; C458-C480 PolarHBondContact SG-SG 3.3Å; C458-I617 VanDerWaalsContact CB-O 3.29Å; C458-I617 WeakPolarHBondContact CB-O 3.28Å
459	T	92.4	Very high	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	165.2	170.6	-55.6	0	0	0	0	110	V444 T476 H615 I617 G618 S619	V444-T459 CarbonylContact O-C 3.19Å; V444-T459 WeakPolarHBondContact O-CA 3.35Å; V444-T459 WeakPolarHBondContact O-CG2 3.47Å; T459-T476 PolarHBondContact O-OG1 2.67Å; T459-H615 PolarHBondContact N-O 2.01Å; T459-H615 PolarHBondContact OG1-O 2.87Å; T459-I617 PolarHBondContact N-O 3Å; T459-G618 CarbonylContact O-C 3.59Å; T459-G618 VanDerWaalsContact O-CA 3.23Å; T459-G618 WeakPolarHBondContact O-CA 3.42Å; T459-S619 WeakPolarHBondContact CB-OG 3.42Å; T459-S619 WeakPolarHBondContact CG2-OG 3.46Å
460	G	92.2	Very high	87.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-168.5	170.4	0	0	0	0	0	111.7	V444 V475	V444-G460 PolarHBondContact O-N 3.03Å; G460-V475 CarbonylContact C-O 3.48Å; G460-V475 VanDerWaalsContact CA-O 3.3Å; G460-V475 WeakPolarHBondContact CA-O 3.46Å
461	T	92.4	Very high	87.3	Confident	1 Å²	1	57 Å²	57	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.7	169.2	55.1	0	0	0	0	111.7	Y463 V474 V475 P620 Q631	T461-Y463 PolarHBondContact O-N 2.89Å; T461-V474 CarbonylContact O-C 3.53Å; T461-V474 VanDerWaalsContact O-CA 3.3Å; T461-V474 WeakPolarHBondContact O-CA 3.46Å; T461-V475 PolarHBondContact N-O 3.06Å; T461-V475 PolarHBondContact O-N 3.38Å; T461-P620 HydrophobicContact CG2-CB 3.45Å; T461-P620 VanDerWaalsContact CG2-CB 3.45Å; T461-P620 HydrophobicContact CG2-CG 3.31Å; T461-Q631 PolarHBondContact OG1-NE2 3.37Å; T461-Q631 VanDerWaalsContact OG1-NE2 3.15Å; T461-Q631 PolarHBondContact OG1-OE1 3.27Å
462	L	90.5	Very high	87.6	Confident	2 Å²	2	55 Å²	55	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.4	164.7	-81	169.2	0	0	0	109	V444 V474 V493 V548 S550	V444-L462 HydrophobicContact CG2-CB 4.48Å; V444-L462 HydrophobicContact CG2-CD1 4.34Å; V444-L462 HydrophobicContact CG2-CG 3.79Å; L462-V474 HydrophobicContact CD2-CG2 3.79Å; L462-V493 HydrophobicContact CD1-CG1 3.66Å; L462-V493 HydrophobicContact CD1-CG2 4.45Å; L462-V548 HydrophobicContact CD1-CG1 4.06Å; L462-S550 VanDerWaalsContact O-CB 3.29Å; L462-S550 WeakPolarHBondContact O-CB 3.01Å; L462-S550 PolarHBondContact O-OG 3.41Å
463	Y	90.5	Very high	88.1	Confident	44 Å²	44	50.1 Å²	50.1	17%	0.173	27%	0.265	C	S	.	.			trans	-95.9	121.1	170.9	172.2	-103.5	0	0	0	109.6	T461 K465 S471 E473 V475 L553 V669	T461-Y463 PolarHBondContact O-N 2.89Å; Y463-K465 HydrophobicContact CE1-CG 3.97Å; Y463-S471 VanDerWaalsContact O-CB 3.27Å; Y463-S471 WeakPolarHBondContact O-CB 3.47Å; Y463-S471 PolarHBondContact O-OG 3.14Å; Y463-E473 HydrophobicContact CD1-CB 4.31Å; Y463-E473 VanDerWaalsContact CD1-OE2 3.24Å; Y463-E473 WeakPolarHBondContact CD1-OE2 3.18Å; Y463-E473 PolarHBondContact N-O 3.44Å; Y463-V475 HydrophobicContact CG-CG2 4.49Å; Y463-L553 HydrophobicContact CD2-CD1 3.9Å; Y463-L553 HydrophobicContact CD2-CG 4.05Å; Y463-L553 HydrophobicContact CE2-CD1 3.64Å; Y463-L553 HydrophobicContact CE2-CG 3.89Å; Y463-V669 HydrophobicContact CD1-CB 4.21Å; Y463-V669 HydrophobicContact CD1-CG1 3.68Å; Y463-V669 HydrophobicContact CD1-CG2 4.16Å; Y463-V669 HydrophobicContact CD2-CG2 4.09Å; Y463-V669 HydrophobicContact CE1-CB 4.03Å; Y463-V669 HydrophobicContact CE1-CG1 3.76Å; Y463-V669 HydrophobicContact CE1-CG2 4.3Å; Y463-V669 HydrophobicContact CE2-CG2 4.26Å; Y463-V669 HydrophobicContact CG-CG1 4.32Å; Y463-V669 HydrophobicContact CG-CG2 4.03Å
464	V	86.9	Confident	88.4	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.152	24%	0.242	C	C	.	.			trans	-116.8	122.1	-176.3	174.5	0	0	0	0	109.3	Q468 I544 S550	V464-Q468 HydrophobicContact CG1-CB 4.18Å; V464-Q468 WeakPolarHBondContact CG1-O 3.47Å; V464-I544 HydrophobicContact CB-CD1 3.87Å; V464-I544 HydrophobicContact CG1-CD1 3.51Å; V464-I544 HydrophobicContact CG2-CD1 3.28Å; V464-I544 HydrophobicContact CG2-CG1 3.72Å; V464-S550 VanDerWaalsContact CG2-CB 3.42Å; V464-S550 WeakPolarHBondContact CG2-OG 3.1Å; V464-S550 PolarHBondContact N-OG 2.89Å; V464-S550 VanDerWaalsContact N-OG 3.16Å
465	K	83.2	Confident	88.7	Confident	102 Å²	102	45 Å²	45	44%	0.443	23%	0.233	S	C	.	.			trans	-61.1	143	174.4	-69	172.7	-176	155.9	0	110.3	Y463 G467 Q468 E473	Y463-K465 HydrophobicContact CE1-CG 3.97Å; K465-G467 PolarHBondContact O-N 3.02Å; K465-Q468 HydrophobicContact CB-CG 4.04Å; K465-Q468 WeakPolarHBondContact O-CB 3.29Å; K465-Q468 PolarHBondContact O-N 3.45Å; K465-E473 VanDerWaalsContact CE-OE2 3.24Å; K465-E473 WeakPolarHBondContact CE-OE2 3.26Å; K465-E473 IonicContact NZ-OE1 2.95Å; K465-E473 PolarHBondContact NZ-OE1 2.63Å; K465-E473 IonicContact NZ-OE2 3.48Å; K465-E473 PolarHBondContact NZ-OE2 3Å
466	R	80.4	Confident	88.9	Confident	183 Å²	183	39.6 Å²	39.6	69%	0.691	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.8	-178.1	-69.2	-175.6	-179.4	156	7.1	111	Q468 Y555	R466-Q468 VanDerWaalsContact C-N 3.33Å; R466-Y555 PolarHBondContact NH2-OH 3.32Å
467	G	80	Confident	89	Confident	84 Å²	84	38.6 Å²	38.6	87%	0.866	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-0.6	179.6	0	0	0	0	0	115.3	K465	K465-G467 PolarHBondContact O-N 3.02Å
468	Q	84.5	Confident	89	Confident	97 Å²	97	37 Å²	37	45%	0.453	19%	0.192	S	C	.	.			trans	-95.4	152.4	174.6	-62.3	-69.7	-48.5	0	0	111.2	V464 K465 R466 R541	V464-Q468 HydrophobicContact CG1-CB 4.18Å; V464-Q468 WeakPolarHBondContact CG1-O 3.47Å; K465-Q468 HydrophobicContact CB-CG 4.04Å; K465-Q468 WeakPolarHBondContact O-CB 3.29Å; K465-Q468 PolarHBondContact O-N 3.45Å; R466-Q468 VanDerWaalsContact C-N 3.33Å; Q468-R541 VanDerWaalsContact OE1-NH2 3.17Å
469	T	82.1	Confident	88.7	Confident	84 Å²	84	41.2 Å²	41.2	52%	0.515	21%	0.207	S	C	.	.	S	Bend	trans	-112.9	-6.5	174.9	51.2	0	0	0	0	113.1	I544	T469-I544 WeakPolarHBondContact O-CG1 3.32Å; T469-I544 PolarHBondContact O-N 3.24Å
470	Y	86.4	Confident	88.5	Confident	96 Å²	96	41.8 Å²	41.8	38%	0.376	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.3	178.3	-67.6	-96.4	0	0	0	110.1	R541 V542 K543	Y470-R541 PolarHBondContact O-NH2 2.88Å; Y470-V542 CarbonylContact C-O 3.6Å; Y470-V542 VanDerWaalsContact CA-O 3.26Å; Y470-V542 WeakPolarHBondContact CA-O 3.45Å; Y470-K543 HydrophobicContact CD1-CB 3.72Å; Y470-K543 HydrophobicContact CD1-CG 4.13Å; Y470-K543 HydrophobicContact CE1-CB 3.42Å; Y470-K543 VanDerWaalsContact CE1-CB 3.42Å; Y470-K543 HydrophobicContact CE1-CD 4.06Å; Y470-K543 HydrophobicContact CE1-CG 3.68Å; Y470-K543 HydrophobicContact CE2-CG 4.28Å
471	S	89.9	Confident	88.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.5	173.9	-176.8	0	0	0	0	112	Y463 E473 V542	Y463-S471 VanDerWaalsContact O-CB 3.27Å; Y463-S471 WeakPolarHBondContact O-CB 3.47Å; Y463-S471 PolarHBondContact O-OG 3.14Å; S471-E473 PolarHBondContact OG-N 2.85Å; S471-V542 PolarHBondContact N-O 3Å; S471-V542 PolarHBondContact O-N 2.91Å
472	D	91.3	Very high	87.4	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.182	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	7.4	167.8	55.3	-28.8	0	0	0	111.6	K537 L538 R541	D472-K537 CarbonylContact O-C 3.49Å; D472-K537 WeakPolarHBondContact O-CA 3.43Å; D472-K537 WeakPolarHBondContact OD2-CE 3.07Å; D472-L538 HydrophobicContact CB-CB 4.25Å; D472-L538 WeakPolarHBondContact O-CG 3.46Å; D472-L538 PolarHBondContact O-N 3.06Å; D472-R541 HydrophobicContact CB-CG 3.91Å
473	E	92.3	Very high	86.4	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.028	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.7	-173.4	-66.9	170.8	167.3	0	0	110	Y463 K465 S471 V535 Q673	Y463-E473 HydrophobicContact CD1-CB 4.31Å; Y463-E473 VanDerWaalsContact CD1-OE2 3.24Å; Y463-E473 WeakPolarHBondContact CD1-OE2 3.18Å; Y463-E473 PolarHBondContact N-O 3.44Å; K465-E473 VanDerWaalsContact CE-OE2 3.24Å; K465-E473 WeakPolarHBondContact CE-OE2 3.26Å; K465-E473 IonicContact NZ-OE1 2.95Å; K465-E473 PolarHBondContact NZ-OE1 2.63Å; K465-E473 IonicContact NZ-OE2 3.48Å; K465-E473 PolarHBondContact NZ-OE2 3Å; S471-E473 PolarHBondContact OG-N 2.85Å; E473-V535 HydrophobicContact CB-CG1 4.44Å; E473-Q673 PolarHBondContact OE1-NE2 3Å
474	V	93.2	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129	175	171.7	0	0	0	0	110	V444 T461 L462 V491 V535 L536 L538	V444-V474 HydrophobicContact CG1-CG1 3.69Å; V444-V474 HydrophobicContact CG1-CG2 4.11Å; T461-V474 CarbonylContact O-C 3.53Å; T461-V474 VanDerWaalsContact O-CA 3.3Å; T461-V474 WeakPolarHBondContact O-CA 3.46Å; L462-V474 HydrophobicContact CD2-CG2 3.79Å; V474-V491 HydrophobicContact CG2-CG1 4.3Å; V474-V535 CarbonylContact O-C 3.56Å; V474-V535 VanDerWaalsContact O-CA 3.3Å; V474-V535 WeakPolarHBondContact O-CA 3.41Å; V474-L536 HydrophobicContact CB-CB 4.19Å; V474-L536 HydrophobicContact CG1-CD1 4.32Å; V474-L536 PolarHBondContact N-O 3.24Å; V474-L536 PolarHBondContact O-N 3.06Å; V474-L538 HydrophobicContact CG2-CD1 3.99Å; V474-L538 HydrophobicContact CG2-CD2 4.27Å; V474-L538 HydrophobicContact CG2-CG 4.22Å
475	V	92.5	Very high	85.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.7	178.9	163.7	0	0	0	0	109.7	G460 T461 Y463 L533 V535 I634 L664 V669	G460-V475 CarbonylContact C-O 3.48Å; G460-V475 VanDerWaalsContact CA-O 3.3Å; G460-V475 WeakPolarHBondContact CA-O 3.46Å; T461-V475 PolarHBondContact N-O 3.06Å; T461-V475 PolarHBondContact O-N 3.38Å; Y463-V475 HydrophobicContact CG-CG2 4.49Å; V475-L533 HydrophobicContact CB-CD1 4.42Å; V475-L533 HydrophobicContact CG1-CD1 3.52Å; V475-V535 HydrophobicContact CG2-CG2 4.41Å; V475-I634 HydrophobicContact CG1-CD1 3.45Å; V475-I634 VanDerWaalsContact CG1-CD1 3.45Å; V475-I634 HydrophobicContact CG1-CG1 4.35Å; V475-L664 HydrophobicContact CG1-CD1 4.43Å; V475-V669 HydrophobicContact CG2-CG2 3.79Å
476	T	93.8	Very high	85.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	179.7	178.2	-167	0	0	0	0	111.9	I446 T459 V481 L533 T534 L536	I446-T476 HydrophobicContact CD1-CG2 3.64Å; I446-T476 WeakPolarHBondContact CD1-OG1 2.86Å; T459-T476 PolarHBondContact O-OG1 2.67Å; T476-V481 HydrophobicContact CG2-CG2 4.39Å; T476-L533 WeakPolarHBondContact O-CD1 3.43Å; T476-T534 HydrophobicContact CG2-CG2 4.42Å; T476-T534 PolarHBondContact N-O 3.15Å; T476-T534 PolarHBondContact O-N 3.31Å; T476-L536 HydrophobicContact CG2-CG 4.47Å
477	A	91.8	Very high	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.9	177.8	0	0	0	0	0	111.8	R479 C480 I617 I634	A477-R479 PolarHBondContact O-N 3.18Å; A477-C480 WeakPolarHBondContact O-CB 3.39Å; A477-C480 PolarHBondContact O-N 3.15Å; A477-I617 HydrophobicContact CB-CG2 3.95Å; A477-I634 HydrophobicContact CB-CG2 3.97Å
478	S	89.4	Confident	86.2	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.063	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.3	177.6	-61.1	0	0	0	0	114.5	C480 V481 A530 G532 L533 T534	S478-C480 PolarHBondContact O-N 3.34Å; S478-V481 CarbonylContact O-C 3.29Å; S478-A530 CarbonylContact C-O 3.5Å; S478-G532 PolarHBondContact N-O 2.88Å; S478-G532 WeakPolarHBondContact OG-CA 3.47Å; S478-L533 PolarHBondContact OG-N 2.73Å; S478-L533 VanDerWaalsContact OG-N 3.07Å; S478-L533 PolarHBondContact OG-O 2.87Å; S478-T534 WeakPolarHBondContact CA-OG1 3.4Å; S478-T534 WeakPolarHBondContact CB-OG1 3.41Å; S478-T534 PolarHBondContact OG-N 3.47Å; S478-T534 PolarHBondContact OG-OG1 2.94Å
479	R	87	Confident	86.6	Confident	94 Å²	94	39.4 Å²	39.4	36%	0.355	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.5	172.7	-174.2	177.9	-61.7	-75.2	-0.6	112.2	A477 A530 D636	A477-R479 PolarHBondContact O-N 3.18Å; R479-A530 WeakPolarHBondContact CA-O 3.15Å; R479-A530 VanDerWaalsContact CB-O 3.29Å; R479-A530 WeakPolarHBondContact CB-O 3.27Å; R479-A530 PolarHBondContact N-O 2.73Å; R479-D636 IonicContact CZ-OD2 3.81Å; R479-D636 IonicContact NE-OD2 3.18Å; R479-D636 PolarHBondContact NE-OD2 2.73Å; R479-D636 IonicContact NH2-OD2 3.51Å
480	C	88	Confident	87.1	Confident	13 Å²	13	37.4 Å²	37.4	9%	0.088	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-54.4	-179.2	-179.9	0	0	0	0	112	C458 A477 S478 P482 I617	C458-C480 HydrophobicContact CB-CB 3.77Å; C458-C480 WeakPolarHBondContact CB-SG 3.4Å; C458-C480 VanDerWaalsContact SG-CA 3.52Å; C458-C480 WeakPolarHBondContact SG-CB 3.27Å; C458-C480 CovalentContact SG-SG 1.99Å; C458-C480 PolarHBondContact SG-SG 3.3Å; A477-C480 WeakPolarHBondContact O-CB 3.39Å; A477-C480 PolarHBondContact O-N 3.15Å; S478-C480 PolarHBondContact O-N 3.34Å; C480-P482 WeakPolarHBondContact O-CD 3.24Å; C480-I617 HydrophobicContact CB-CG2 4.21Å
481	V	87	Confident	87.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-120.9	88	-175.1	-174.3	0	0	0	0	107.1	I446 T476 S478 Y489 I516 T534 L536	I446-V481 HydrophobicContact CD1-CG2 4.38Å; I446-V481 HydrophobicContact CG2-CG2 3.83Å; T476-V481 HydrophobicContact CG2-CG2 4.39Å; S478-V481 CarbonylContact O-C 3.29Å; V481-Y489 HydrophobicContact CB-CE1 4.39Å; V481-Y489 HydrophobicContact CG1-CD1 4.03Å; V481-Y489 HydrophobicContact CG1-CD2 3.98Å; V481-Y489 HydrophobicContact CG1-CE1 3.88Å; V481-Y489 HydrophobicContact CG1-CE2 3.83Å; V481-Y489 HydrophobicContact CG1-CG 4.07Å; V481-Y489 HydrophobicContact CG2-CD1 4.11Å; V481-Y489 HydrophobicContact CG2-CE1 4.13Å; V481-I516 HydrophobicContact CG1-CD1 3.62Å; V481-I516 HydrophobicContact CG1-CG1 4.32Å; V481-I516 HydrophobicContact CG1-CG2 4.09Å; V481-T534 HydrophobicContact CB-CG2 4.3Å; V481-T534 PolarHBondContact O-OG1 2.9Å; V481-L536 HydrophobicContact CB-CD2 4.19Å; V481-L536 HydrophobicContact CG1-CD2 3.82Å; V481-L536 HydrophobicContact CG2-CD1 4.47Å; V481-L536 HydrophobicContact CG2-CD2 4.31Å
482	P	74.5	Confident	87.5	Confident	61 Å²	61	34.5 Å²	34.5	40%	0.396	19%	0.19	S	C	.	.			trans	-61.8	155.9	170.3	27	-33.4	0	0	0	109.3	C480 T484	C480-P482 WeakPolarHBondContact O-CD 3.24Å; P482-T484 HydrophobicContact CB-CG2 4.22Å; P482-T484 HydrophobicContact CG-CG2 3.96Å; P482-T484 PolarHBondContact O-N 3.44Å; P482-T484 PolarHBondContact O-OG1 3.49Å
483	S	69.9	Low	87.3	Confident	86 Å²	86	34.4 Å²	34.4	60%	0.601	19%	0.19	S	C	*	.	S	Bend	trans	-64.2	76.6	177.5	-165.5	0	0	0	0	111
484	T	70.2	Confident	86.6	Confident	63 Å²	63	34.4 Å²	34.4	39%	0.387	19%	0.192	S	C	.	.			trans	-126.6	168.2	-175	47.5	0	0	0	0	107.7	P482 A486 Y489 I516	P482-T484 HydrophobicContact CB-CG2 4.22Å; P482-T484 HydrophobicContact CG-CG2 3.96Å; P482-T484 PolarHBondContact O-N 3.44Å; P482-T484 PolarHBondContact O-OG1 3.49Å; T484-A486 PolarHBondContact O-N 2.87Å; T484-A486 VanDerWaalsContact O-N 3.09Å; T484-Y489 VanDerWaalsContact OG1-CE2 3.24Å; T484-Y489 WeakPolarHBondContact OG1-CE2 3.45Å; T484-Y489 PolarHBondContact OG1-OH 3.04Å; T484-I516 WeakPolarHBondContact O-CD1 3.44Å
485	A	80.9	Confident	85.5	Confident	49 Å²	49	34.4 Å²	34.4	41%	0.405	19%	0.192	S	C	.	.			trans	-51.3	116.8	-172.5	0	0	0	0	0	112.3	D487 K488	A485-D487 WeakPolarHBondContact CA-OD1 3.41Å; A485-D487 WeakPolarHBondContact CB-OD1 3.29Å; A485-D487 PolarHBondContact O-N 2.83Å; A485-K488 WeakPolarHBondContact O-CB 3.5Å; A485-K488 PolarHBondContact O-N 2.79Å; A485-K488 VanDerWaalsContact O-N 3.17Å
486	A	85.9	Confident	84.7	Confident	20 Å²	20	37.1 Å²	37.1	17%	0.165	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.7	-26.4	-172.1	0	0	0	0	0	113.4	T484 K488 Y489 V513 I516	T484-A486 PolarHBondContact O-N 2.87Å; T484-A486 VanDerWaalsContact O-N 3.09Å; A486-K488 PolarHBondContact O-N 3.49Å; A486-Y489 PolarHBondContact O-N 2.89Å; A486-Y489 VanDerWaalsContact O-N 3.08Å; A486-V513 HydrophobicContact CB-CG1 4.21Å; A486-I516 HydrophobicContact CB-CD1 3.91Å; A486-I516 HydrophobicContact CB-CG1 3.95Å
487	D	87.8	Confident	83.9	Confident	103 Å²	103	38 Å²	38	55%	0.551	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-58.2	-26.7	175.7	63.8	-45.2	0	0	0	113.3	A485 Y489 R490	A485-D487 WeakPolarHBondContact CA-OD1 3.41Å; A485-D487 WeakPolarHBondContact CB-OD1 3.29Å; A485-D487 PolarHBondContact O-N 2.83Å; D487-Y489 VanDerWaalsContact C-N 3.31Å; D487-Y489 PolarHBondContact O-N 3.09Å; D487-R490 PolarHBondContact O-NH1 3.37Å
488	K	90.8	Very high	83.1	Confident	97 Å²	97	39.3 Å²	39.3	42%	0.422	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-77.6	-12.9	177.7	-62.3	-177.8	-178.6	179	0	114.1	K448 V449 A485 A486	K448-K488 CarbonylContact C-O 3.57Å; K448-K488 WeakPolarHBondContact CA-O 3.38Å; V449-K488 PolarHBondContact N-O 3.16Å; A485-K488 WeakPolarHBondContact O-CB 3.5Å; A485-K488 PolarHBondContact O-N 2.79Å; A485-K488 VanDerWaalsContact O-N 3.17Å; A486-K488 PolarHBondContact O-N 3.49Å
489	Y	93.6	Very high	82.3	Confident	8 Å²	8	44 Å²	44	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.9	-176.2	-60	-84.4	0	0	0	111.5	I446 F447 K448 L457 V481 T484 A486 D487 I516	I446-Y489 HydrophobicContact CG2-CD1 4.39Å; F447-Y489 WeakPolarHBondContact O-CA 3.13Å; K448-Y489 HydrophobicContact CG-CE1 4.48Å; L457-Y489 HydrophobicContact CD1-CD1 4.36Å; L457-Y489 HydrophobicContact CD1-CE1 3.89Å; V481-Y489 HydrophobicContact CB-CE1 4.39Å; V481-Y489 HydrophobicContact CG1-CD1 4.03Å; V481-Y489 HydrophobicContact CG1-CD2 3.98Å; V481-Y489 HydrophobicContact CG1-CE1 3.88Å; V481-Y489 HydrophobicContact CG1-CE2 3.83Å; V481-Y489 HydrophobicContact CG1-CG 4.07Å; V481-Y489 HydrophobicContact CG2-CD1 4.11Å; V481-Y489 HydrophobicContact CG2-CE1 4.13Å; T484-Y489 VanDerWaalsContact OG1-CE2 3.24Å; T484-Y489 WeakPolarHBondContact OG1-CE2 3.45Å; T484-Y489 PolarHBondContact OG1-OH 3.04Å; A486-Y489 PolarHBondContact O-N 2.89Å; A486-Y489 VanDerWaalsContact O-N 3.08Å; D487-Y489 VanDerWaalsContact C-N 3.31Å; D487-Y489 PolarHBondContact O-N 3.09Å; Y489-I516 HydrophobicContact CD2-CD1 3.57Å; Y489-I516 HydrophobicContact CE2-CD1 3.92Å; Y489-I516 HydrophobicContact CG-CD1 4.4Å
490	R	93.2	Very high	81.5	Confident	42 Å²	42	48 Å²	48	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.8	178.2	-70.9	-58.9	-179.4	-93.9	4.2	109.4	F447 V449 D487 L510 I511 E512	F447-R490 PolarHBondContact N-O 3.14Å; F447-R490 PolarHBondContact O-N 2.99Å; V449-R490 HydrophobicContact CG2-CB 4.11Å; V449-R490 HydrophobicContact CG2-CG 3.56Å; D487-R490 PolarHBondContact O-NH1 3.37Å; R490-L510 HydrophobicContact CB-CB 3.91Å; R490-L510 HydrophobicContact CB-CD1 3.86Å; R490-L510 HydrophobicContact CB-CD2 4.15Å; R490-L510 HydrophobicContact CB-CG 4.19Å; R490-L510 HydrophobicContact CG-CB 4.25Å; R490-L510 HydrophobicContact CG-CD1 4.31Å; R490-I511 CarbonylContact C-O 3.49Å; R490-I511 WeakPolarHBondContact CA-O 3.16Å; R490-E512 IonicContact CZ-OE1 3.4Å; R490-E512 IonicContact NE-OE1 3.66Å; R490-E512 IonicContact NH2-OE1 2.71Å; R490-E512 PolarHBondContact NH2-OE1 3.39Å; R490-E512 IonicContact NH2-OE2 3.78Å
491	V	93	Very high	81	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	-178	178	0	0	0	0	109.9	V444 H445 I446 V474 V493 I511 V513 L536 L538	V444-V491 HydrophobicContact CG1-CG1 3.54Å; H445-V491 WeakPolarHBondContact O-CA 3.27Å; I446-V491 HydrophobicContact CG1-CG2 4.4Å; V474-V491 HydrophobicContact CG2-CG1 4.3Å; V491-V493 HydrophobicContact CG1-CG2 4Å; V491-I511 PolarHBondContact N-O 3.35Å; V491-I511 WeakPolarHBondContact O-CB 3.34Å; V491-I511 PolarHBondContact O-N 2.03Å; V491-V513 HydrophobicContact CG2-CG2 3.95Å; V491-L536 HydrophobicContact CG2-CD1 3.97Å; V491-L538 HydrophobicContact CB-CD2 3.86Å; V491-L538 HydrophobicContact CG1-CD2 4.44Å; V491-L538 HydrophobicContact CG2-CD2 3.69Å
492	Y	90.7	Very high	80.6	Confident	39 Å²	39	54.5 Å²	54.5	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130	165.5	179.2	-97.2	0	0	0	108.9	V444 H445 G494 L496 P498	V444-Y492 WeakPolarHBondContact CA-O 3.33Å; H445-Y492 PolarHBondContact N-O 3.17Å; H445-Y492 PolarHBondContact O-N 3.45Å; Y492-G494 VanDerWaalsContact CE1-CA 3.46Å; Y492-L496 WeakPolarHBondContact CE1-O 3.18Å; Y492-P498 HydrophobicContact CD1-CG 4.23Å; Y492-P498 HydrophobicContact CD2-CG 3.83Å; Y492-P498 HydrophobicContact CE1-CG 3.9Å; Y492-P498 HydrophobicContact CE2-CG 3.47Å; Y492-P498 VanDerWaalsContact CE2-CG 3.47Å; Y492-P498 HydrophobicContact CG-CG 4.19Å; Y492-P498 VanDerWaalsContact CZ-CG 3.5Å
493	V	87.1	Confident	80.9	Confident	31 Å²	31	55.7 Å²	55.7	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.4	173.1	-175.8	0	0	0	0	108.8	G443 V444 L462 V491 I511 V542 V548	G443-V493 CarbonylContact O-C 3.46Å; G443-V493 WeakPolarHBondContact O-CA 3.14Å; V444-V493 HydrophobicContact CG2-CG1 4.44Å; V444-V493 HydrophobicContact CG2-CG2 4.38Å; L462-V493 HydrophobicContact CD1-CG1 3.66Å; L462-V493 HydrophobicContact CD1-CG2 4.45Å; V491-V493 HydrophobicContact CG1-CG2 4Å; V493-I511 HydrophobicContact CG2-CD1 4.13Å; V493-V542 HydrophobicContact CB-CG1 4.21Å; V493-V542 HydrophobicContact CG1-CG1 3.95Å; V493-V542 HydrophobicContact CG2-CG1 4.38Å; V493-V542 HydrophobicContact CG2-CG2 4.21Å; V493-V548 HydrophobicContact CG1-CB 4.45Å; V493-V548 HydrophobicContact CG1-CG1 3.91Å; V493-V548 HydrophobicContact CG1-CG2 4.22Å
494	G	78.3	Confident	81.4	Confident	6 Å²	6	58.4 Å²	58.4	6%	0.062	30%	0.302	C	S	.	.	S	Bend	trans	178	150.7	179.7	0	0	0	0	0	110.1	G443 Y492 L496	G443-G494 CarbonylContact C-O 3.53Å; G443-G494 WeakPolarHBondContact CA-O 3.39Å; G443-G494 CarbonylContact O-C 3.56Å; G443-G494 PolarHBondContact O-N 2.99Å; Y492-G494 VanDerWaalsContact CE1-CA 3.46Å; G494-L496 VanDerWaalsContact C-N 3.29Å; G494-L496 PolarHBondContact O-N 3.45Å
495	A	70.8	Confident	82	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-69.9	-27.6	-176.4	0	0	0	0	0	113.3	V362 A441 P577	V362-A495 HydrophobicContact CB-CB 3.99Å; V362-A495 HydrophobicContact CG1-CB 3.74Å; V362-A495 HydrophobicContact CG2-CB 3.79Å; A441-A495 HydrophobicContact CB-CB 3.76Å; A495-P577 HydrophobicContact CB-CG 4.31Å; A495-P577 WeakPolarHBondContact O-CB 3.09Å; A495-P577 WeakPolarHBondContact O-CD 3.34Å
496	L	75.4	Confident	82.1	Confident	59 Å²	59	58.8 Å²	58.8	31%	0.309	29%	0.292	S	S	.	.	S	Bend	trans	-99.9	137.3	-178.6	-63.6	167.2	0	0	0	110.2	Y492 G494 P498 G575 M576	Y492-L496 WeakPolarHBondContact CE1-O 3.18Å; G494-L496 VanDerWaalsContact C-N 3.29Å; G494-L496 PolarHBondContact O-N 3.45Å; L496-P498 WeakPolarHBondContact O-CD 3.19Å; L496-G575 WeakPolarHBondContact CA-O 3.36Å; L496-M576 HydrophobicContact CD2-CE 3.96Å; L496-M576 HydrophobicContact CD2-SD 3.51Å; L496-M576 VanDerWaalsContact CD2-SD 3.51Å
497	L	76.5	Confident	81.9	Confident	18 Å²	18	59.5 Å²	59.5	9%	0.094	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-77	122	170.6	-167.4	70.9	0	0	0	109	H445 F447 R499 V571 G575	H445-L497 HydrophobicContact CB-CD1 3.86Å; F447-L497 HydrophobicContact CE2-CD1 4.45Å; F447-L497 HydrophobicContact CZ-CD1 3.87Å; L497-R499 PolarHBondContact O-N 3.44Å; L497-V571 HydrophobicContact CB-CB 4.47Å; L497-V571 HydrophobicContact CB-CG1 4.34Å; L497-V571 HydrophobicContact CB-CG2 4.22Å; L497-V571 HydrophobicContact CD2-CG2 4.27Å; L497-G575 PolarHBondContact N-O 3.33Å
498	P	75	Confident	81.8	Confident	27 Å²	27	64.6 Å²	64.6	18%	0.175	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.5	122.1	178.5	-20.5	32.5	0	0	0	110.8	Y492 L496 M501 L506	Y492-P498 HydrophobicContact CD1-CG 4.23Å; Y492-P498 HydrophobicContact CD2-CG 3.83Å; Y492-P498 HydrophobicContact CE1-CG 3.9Å; Y492-P498 HydrophobicContact CE2-CG 3.47Å; Y492-P498 VanDerWaalsContact CE2-CG 3.47Å; Y492-P498 HydrophobicContact CG-CG 4.19Å; Y492-P498 VanDerWaalsContact CZ-CG 3.5Å; L496-P498 WeakPolarHBondContact O-CD 3.19Å; P498-M501 HydrophobicContact CB-CB 4.35Å; P498-L506 HydrophobicContact CB-CD1 4Å; P498-L506 HydrophobicContact CG-CD1 4.02Å
499	R	72.8	Confident	81.5	Confident	108 Å²	108	62.7 Å²	62.7	41%	0.408	31%	0.309	S	S	.	.			trans	-117.5	-29.5	179.9	-74.8	-177.5	165.5	-145.3	-4.2	114.8	L497 E573 H574 Q614	L497-R499 PolarHBondContact O-N 3.44Å; R499-E573 VanDerWaalsContact CZ-C 3.48Å; R499-E573 PolarHBondContact NH1-O 3.46Å; R499-E573 PolarHBondContact NH2-O 2.77Å; R499-H574 VanDerWaalsContact CZ-C 3.45Å; R499-Q614 VanDerWaalsContact NH2-CD 3.35Å
500	H	70.5	Confident	81.2	Confident	179 Å²	179	63 Å²	63	83%	0.829	31%	0.311	S	S	*	.	S	Bend	trans	-108	30	-174.6	-60.4	-60.4	0	0	0	111.9
501	M	76.6	Confident	81.2	Confident	72 Å²	72	62.5 Å²	62.5	36%	0.355	31%	0.311	S	S	.	.			trans	-108.7	135.9	-177.1	-167.1	171.9	-80.4	0	0	109.1	P498 Q505 L506 T509	P498-M501 HydrophobicContact CB-CB 4.35Å; M501-Q505 HydrophobicContact CG-CB 3.23Å; M501-Q505 HydrophobicContact CG-CG 4.4Å; M501-Q505 HydrophobicContact SD-CB 3.88Å; M501-L506 HydrophobicContact CG-CB 4.2Å; M501-L506 WeakPolarHBondContact SD-CA 2.98Å; M501-L506 HydrophobicContact SD-CB 4.09Å; M501-L506 HydrophobicContact SD-CD1 4.35Å; M501-L506 PolarHBondContact SD-N 3.34Å; M501-L506 VanDerWaalsContact SD-N 3.35Å; M501-T509 HydrophobicContact CE-CG2 4.07Å; M501-T509 HydrophobicContact SD-CG2 3.93Å
502	T	80.2	Confident	81.1	Confident	77 Å²	77	65.6 Å²	65.6	47%	0.472	33%	0.326	S	S	.	.			trans	-63.1	156	173.8	70.5	0	0	0	0	109.7	E504 Q505 L506	T502-E504 PolarHBondContact O-N 3.39Å; T502-Q505 VanDerWaalsContact N-OE1 3.13Å; T502-Q505 PolarHBondContact O-N 3.22Å; T502-Q505 VanDerWaalsContact O-N 3.12Å; T502-Q505 WeakPolarHBondContact OG1-CB 3.49Å; T502-Q505 VanDerWaalsContact OG1-CG 3.28Å; T502-Q505 WeakPolarHBondContact OG1-CG 3.47Å; T502-Q505 PolarHBondContact OG1-N 3.38Å; T502-Q505 PolarHBondContact OG1-OE1 3.47Å; T502-L506 WeakPolarHBondContact O-CB 3.41Å; T502-L506 PolarHBondContact O-N 2.81Å
503	V	80.8	Confident	81.3	Confident	85 Å²	85	63.8 Å²	63.8	52%	0.515	32%	0.319	S	S	.	.	H	α-helix	trans	-54.7	-38.7	178.8	178.4	0	0	0	0	111.3	S452 I454 L506 G507	S452-V503 WeakPolarHBondContact O-CG1 3.48Å; I454-V503 HydrophobicContact CD1-CG1 3.78Å; I454-V503 HydrophobicContact CG1-CG1 4.06Å; V503-L506 PolarHBondContact O-N 3.05Å; V503-G507 PolarHBondContact O-N 2.99Å
504	E	79.5	Confident	81.5	Confident	143 Å²	143	64.3 Å²	64.3	67%	0.668	33%	0.33	S	S	*	.	H	α-helix	trans	-66.9	-45.4	177.3	-64.7	-177.1	179.8	0	0	112.9	T502 L506 G507 R508	T502-E504 PolarHBondContact O-N 3.39Å; E504-L506 VanDerWaalsContact C-N 3.33Å; E504-G507 PolarHBondContact O-N 3.13Å; E504-R508 WeakPolarHBondContact O-CG 3.19Å; E504-R508 PolarHBondContact O-N 2.71Å; E504-R508 VanDerWaalsContact O-N 3.11Å
505	Q	83.1	Confident	82.2	Confident	101 Å²	101	65.6 Å²	65.6	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-42.6	176.6	-74.1	170.9	-20.5	0	0	110.6	M501 T502 R508 T509	M501-Q505 HydrophobicContact CG-CB 3.23Å; M501-Q505 HydrophobicContact CG-CG 4.4Å; M501-Q505 HydrophobicContact SD-CB 3.88Å; T502-Q505 VanDerWaalsContact N-OE1 3.13Å; T502-Q505 PolarHBondContact O-N 3.22Å; T502-Q505 VanDerWaalsContact O-N 3.12Å; T502-Q505 WeakPolarHBondContact OG1-CB 3.49Å; T502-Q505 VanDerWaalsContact OG1-CG 3.28Å; T502-Q505 WeakPolarHBondContact OG1-CG 3.47Å; T502-Q505 PolarHBondContact OG1-N 3.38Å; T502-Q505 PolarHBondContact OG1-OE1 3.47Å; Q505-R508 PolarHBondContact O-N 2.74Å; Q505-T509 PolarHBondContact O-N 3.27Å
506	L	83.5	Confident	83.2	Confident	20 Å²	20	66.2 Å²	66.2	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-49	176.9	-178.8	59.2	0	0	0	110	F447 I454 P498 M501 T502 V503 E504 R508 T509 L510	F447-L506 HydrophobicContact CE1-CD2 4.38Å; I454-L506 HydrophobicContact CB-CD2 4.43Å; I454-L506 HydrophobicContact CD1-CB 4.47Å; I454-L506 HydrophobicContact CD1-CD2 4.39Å; I454-L506 HydrophobicContact CD1-CG 4.35Å; I454-L506 HydrophobicContact CG2-CD2 3.8Å; I454-L506 HydrophobicContact CG2-CG 4.42Å; P498-L506 HydrophobicContact CB-CD1 4Å; P498-L506 HydrophobicContact CG-CD1 4.02Å; M501-L506 HydrophobicContact CG-CB 4.2Å; M501-L506 WeakPolarHBondContact SD-CA 2.98Å; M501-L506 HydrophobicContact SD-CB 4.09Å; M501-L506 HydrophobicContact SD-CD1 4.35Å; M501-L506 PolarHBondContact SD-N 3.34Å; M501-L506 VanDerWaalsContact SD-N 3.35Å; T502-L506 WeakPolarHBondContact O-CB 3.41Å; T502-L506 PolarHBondContact O-N 2.81Å; V503-L506 PolarHBondContact O-N 3.05Å; E504-L506 VanDerWaalsContact C-N 3.33Å; L506-R508 PolarHBondContact O-N 2.89Å; L506-T509 PolarHBondContact O-N 3.15Å; L506-T509 PolarHBondContact O-OG1 3.42Å; L506-L510 HydrophobicContact CD1-CG 4.4Å; L506-L510 HydrophobicContact CG-CD1 4.24Å; L506-L510 HydrophobicContact CG-CG 4.41Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.37Å; L506-L510 VanDerWaalsContact O-N 3.17Å
507	G	81.3	Confident	83.8	Confident	34 Å²	34	64.9 Å²	64.9	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-52.3	-37	175.5	0	0	0	0	0	113.9	V503 E504	V503-G507 PolarHBondContact O-N 2.99Å; E504-G507 PolarHBondContact O-N 3.13Å
508	R	84.5	Confident	84.2	Confident	210 Å²	210	64.5 Å²	64.5	79%	0.792	33%	0.333	S	S	*	.	H	α-helix	trans	-73.7	-28.5	177.5	-69.7	176.5	-173	-178.2	4.4	114.1	E504 Q505 L506	E504-R508 WeakPolarHBondContact O-CG 3.19Å; E504-R508 PolarHBondContact O-N 2.71Å; E504-R508 VanDerWaalsContact O-N 3.11Å; Q505-R508 PolarHBondContact O-N 2.74Å; L506-R508 PolarHBondContact O-N 2.89Å
509	T	84.3	Confident	84.2	Confident	57 Å²	57	65 Å²	65	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-83.5	-15.9	177.9	62.6	0	0	0	0	113.5	M501 Q505 L506	M501-T509 HydrophobicContact CE-CG2 4.07Å; M501-T509 HydrophobicContact SD-CG2 3.93Å; Q505-T509 PolarHBondContact O-N 3.27Å; L506-T509 PolarHBondContact O-N 3.15Å; L506-T509 PolarHBondContact O-OG1 3.42Å
510	L	89	Confident	84.1	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.073	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-78.7	129.8	-176.6	-81.2	-179.4	0	0	0	112	F447 I454 R490 L506	F447-L510 HydrophobicContact CB-CD1 4.41Å; F447-L510 HydrophobicContact CB-CD2 4.46Å; F447-L510 HydrophobicContact CD2-CD2 3.63Å; F447-L510 HydrophobicContact CE2-CD2 4.12Å; F447-L510 HydrophobicContact CG-CD2 4.18Å; I454-L510 HydrophobicContact CD1-CD1 4.12Å; I454-L510 HydrophobicContact CG2-CD1 3.92Å; R490-L510 HydrophobicContact CB-CB 3.91Å; R490-L510 HydrophobicContact CB-CD1 3.86Å; R490-L510 HydrophobicContact CB-CD2 4.15Å; R490-L510 HydrophobicContact CB-CG 4.19Å; R490-L510 HydrophobicContact CG-CB 4.25Å; R490-L510 HydrophobicContact CG-CD1 4.31Å; L506-L510 HydrophobicContact CD1-CG 4.4Å; L506-L510 HydrophobicContact CG-CD1 4.24Å; L506-L510 HydrophobicContact CG-CG 4.41Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.37Å; L506-L510 VanDerWaalsContact O-N 3.17Å
511	I	91.6	Very high	83.8	Confident	32 Å²	32	55.5 Å²	55.5	16%	0.164	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.9	179.8	-53.2	178.4	0	0	0	109.7	R490 V491 V493 L538 H540 V542	R490-I511 CarbonylContact C-O 3.49Å; R490-I511 WeakPolarHBondContact CA-O 3.16Å; V491-I511 PolarHBondContact N-O 3.35Å; V491-I511 WeakPolarHBondContact O-CB 3.34Å; V491-I511 PolarHBondContact O-N 2.03Å; V493-I511 HydrophobicContact CG2-CD1 4.13Å; I511-L538 HydrophobicContact CG2-CB 4.04Å; I511-L538 HydrophobicContact CG2-CD1 4.2Å; I511-L538 HydrophobicContact CG2-CD2 4.44Å; I511-L538 HydrophobicContact CG2-CG 4.46Å; I511-H540 HydrophobicContact CG2-CB 4.38Å; I511-V542 HydrophobicContact CD1-CG2 3.27Å
512	E	92.7	Very high	83	Confident	65 Å²	65	53 Å²	53	30%	0.304	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.1	178.8	-48	-154.5	146.6	0	0	113	R490 L538 K539	R490-E512 IonicContact CZ-OE1 3.4Å; R490-E512 IonicContact NE-OE1 3.66Å; R490-E512 IonicContact NH2-OE1 2.71Å; R490-E512 PolarHBondContact NH2-OE1 3.39Å; R490-E512 IonicContact NH2-OE2 3.78Å; E512-L538 WeakPolarHBondContact O-CA 3.15Å; E512-K539 HydrophobicContact CB-CB 4.35Å; E512-K539 HydrophobicContact CB-CD 3.79Å; E512-K539 HydrophobicContact CB-CG 4.01Å; E512-K539 PolarHBondContact O-N 3.48Å; E512-K539 WeakPolarHBondContact OE2-CD 2.88Å; E512-K539 WeakPolarHBondContact OE2-CE 3.46Å; E512-K539 IonicContact OE2-NZ 2.69Å; E512-K539 PolarHBondContact OE2-NZ 2.76Å
513	V	94.1	Very high	81.7	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.5	169.5	-177.5	0	0	0	0	108.6	A486 V491 S515 I516 L536 L538	A486-V513 HydrophobicContact CB-CG1 4.21Å; V491-V513 HydrophobicContact CG2-CG2 3.95Å; V513-S515 WeakPolarHBondContact CG1-O 3.35Å; V513-I516 HydrophobicContact CG1-CD1 4.45Å; V513-I516 HydrophobicContact CG1-CG1 3.78Å; V513-L536 HydrophobicContact CG1-CB 4.12Å; V513-L536 HydrophobicContact CG1-CD2 4.45Å; V513-L536 HydrophobicContact CG2-CB 4.5Å; V513-L536 HydrophobicContact CG2-CD1 4.39Å; V513-L538 HydrophobicContact CG2-CD2 4.32Å
514	G	92.1	Very high	80	Confident	41 Å²	41	56.6 Å²	56.6	42%	0.423	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-40.2	177.3	0	0	0	0	0	112.6	K537	G514-K537 WeakPolarHBondContact CA-O 3.34Å; G514-K537 PolarHBondContact N-O 3.01Å
515	S	92.3	Very high	78.9	Confident	33 Å²	33	53.5 Å²	53.5	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.4	175.5	66.6	0	0	0	0	112	V513 F517 K537	V513-S515 WeakPolarHBondContact CG1-O 3.35Å; S515-F517 WeakPolarHBondContact OG-CE2 3Å; S515-F517 WeakPolarHBondContact OG-CZ 3.36Å; S515-K537 PolarHBondContact N-O 3.14Å; S515-K537 PolarHBondContact O-N 2.87Å; S515-K537 WeakPolarHBondContact OG-CB 3.03Å
516	I	91.5	Very high	77.5	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.7	-179.8	-64.1	173.3	0	0	0	107.1	V481 T484 A486 Y489 V513 A518 T534 L536	V481-I516 HydrophobicContact CG1-CD1 3.62Å; V481-I516 HydrophobicContact CG1-CG1 4.32Å; V481-I516 HydrophobicContact CG1-CG2 4.09Å; T484-I516 WeakPolarHBondContact O-CD1 3.44Å; A486-I516 HydrophobicContact CB-CD1 3.91Å; A486-I516 HydrophobicContact CB-CG1 3.95Å; Y489-I516 HydrophobicContact CD2-CD1 3.57Å; Y489-I516 HydrophobicContact CE2-CD1 3.92Å; Y489-I516 HydrophobicContact CG-CD1 4.4Å; V513-I516 HydrophobicContact CG1-CD1 4.45Å; V513-I516 HydrophobicContact CG1-CG1 3.78Å; I516-A518 HydrophobicContact CG2-CB 4.43Å; I516-T534 HydrophobicContact CG2-CG2 3.63Å; I516-L536 HydrophobicContact CB-CD2 4.4Å; I516-L536 HydrophobicContact CD1-CD2 4.42Å; I516-L536 HydrophobicContact CG1-CD2 3.8Å; I516-L536 HydrophobicContact CG2-CD2 4.13Å
517	F	89	Confident	76.2	Confident	31 Å²	31	62.1 Å²	62.1	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107	174.2	-53.5	-83.5	0	0	0	108.4	S515 T534 V535 K537 I672 Q673 E676	S515-F517 WeakPolarHBondContact OG-CE2 3Å; S515-F517 WeakPolarHBondContact OG-CZ 3.36Å; F517-T534 CarbonylContact O-C 3.53Å; F517-T534 WeakPolarHBondContact O-CA 3.46Å; F517-V535 HydrophobicContact CB-CB 4.46Å; F517-V535 PolarHBondContact N-O 2.75Å; F517-V535 PolarHBondContact O-N 2.82Å; F517-K537 HydrophobicContact CE2-CB 3.98Å; F517-K537 HydrophobicContact CE2-CD 4.31Å; F517-I672 HydrophobicContact CB-CG2 3.64Å; F517-Q673 HydrophobicContact CD2-CG 4.26Å; F517-Q673 HydrophobicContact CE2-CG 4.49Å; F517-Q673 HydrophobicContact CG-CG 4.47Å; F517-E676 WeakPolarHBondContact CA-OE2 3.39Å; F517-E676 HydrophobicContact CD1-CB 4.08Å; F517-E676 WeakPolarHBondContact CD1-OE2 3.44Å
518	A	84.7	Confident	75.3	Confident	10 Å²	10	62 Å²	62	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.3	-173.1	0	0	0	0	0	109.8	I516 P520 T534 E676	I516-A518 HydrophobicContact CG2-CB 4.43Å; A518-P520 WeakPolarHBondContact O-CD 3.32Å; A518-T534 HydrophobicContact CB-CG2 4.2Å; A518-T534 VanDerWaalsContact CB-OG1 3.29Å; A518-T534 WeakPolarHBondContact CB-OG1 3.29Å; A518-E676 PolarHBondContact N-OE1 3.36Å
519	T	74.7	Confident	74.4	Confident	39 Å²	39	56 Å²	56	24%	0.239	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	89.9	175.8	-54.9	0	0	0	0	109.2	L521 G532 L533 I672 L675	T519-L521 PolarHBondContact O-N 3.3Å; T519-G532 WeakPolarHBondContact O-CA 3.19Å; T519-L533 PolarHBondContact N-O 2.88Å; T519-I672 VanDerWaalsContact OG1-CG1 3.25Å; T519-I672 WeakPolarHBondContact OG1-CG1 3.49Å; T519-I672 WeakPolarHBondContact OG1-CG2 3.46Å; T519-L675 HydrophobicContact CG2-CD1 4.45Å
520	P	69.3	Low	73.9	Confident	48 Å²	48	55.1 Å²	55.1	31%	0.312	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.7	169.8	28.7	-34.5	0	0	0	107.6	A518 Y522 A523 K529 M531	A518-P520 WeakPolarHBondContact O-CD 3.32Å; P520-Y522 PolarHBondContact O-N 3.19Å; P520-Y522 VanDerWaalsContact O-N 3.07Å; P520-A523 HydrophobicContact CG-CB 4.32Å; P520-K529 WeakPolarHBondContact CB-O 3.34Å; P520-M531 CarbonylContact C-O 3.47Å; P520-M531 WeakPolarHBondContact CA-O 3.26Å
521	L	64.7	Low	73.3	Confident	39 Å²	39	54.8 Å²	54.8	20%	0.204	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.9	-175.8	-69.3	170.8	0	0	0	112	T519 M531 V602 M662	T519-L521 PolarHBondContact O-N 3.3Å; L521-M531 HydrophobicContact CD1-CB 3.87Å; L521-M531 PolarHBondContact N-O 2.94Å; L521-V602 HydrophobicContact CD1-CB 4.34Å; L521-V602 HydrophobicContact CD1-CG2 4.02Å; L521-M662 HydrophobicContact CD1-CE 3.12Å; L521-M662 HydrophobicContact CD1-SD 3.75Å; L521-M662 HydrophobicContact CD2-CE 3.67Å; L521-M662 HydrophobicContact CG-CE 3.75Å
522	Y	59.6	Low	72.8	Confident	20 Å²	20	53.2 Å²	53.2	8%	0.078	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	79.9	-173.7	-55	-73.3	0	0	0	110.4	P58 Y59 P520 Q524 Y525 L528 K529 L599 V602	P58-Y522 HydrophobicContact CB-CE1 4.2Å; P58-Y522 VanDerWaalsContact CB-OH 3.26Å; P58-Y522 WeakPolarHBondContact CB-OH 3.36Å; P58-Y522 PolarHBondContact O-OH 3.41Å; Y59-Y522 WeakPolarHBondContact CA-OH 3.43Å; Y59-Y522 HydrophobicContact CD1-CD1 4.19Å; Y59-Y522 AromaticContact CD1-CE1 3.77Å; Y59-Y522 HydrophobicContact CD1-CE1 3.77Å; Y59-Y522 HydrophobicContact CG-CE1 4.35Å; Y59-Y522 PolarHBondContact N-OH 3.03Å; P520-Y522 PolarHBondContact O-N 3.19Å; P520-Y522 VanDerWaalsContact O-N 3.07Å; Y522-Q524 PolarHBondContact O-N 2.94Å; Y522-Y525 HydrophobicContact CG-CD2 4.44Å; Y522-Y525 PolarHBondContact O-N 3.19Å; Y522-L528 HydrophobicContact CD2-CB 3.71Å; Y522-L528 HydrophobicContact CD2-CD1 3.55Å; Y522-L528 HydrophobicContact CD2-CG 4.21Å; Y522-L528 HydrophobicContact CE2-CD1 4Å; Y522-L528 HydrophobicContact CG-CB 4.29Å; Y522-L528 HydrophobicContact CG-CD1 4.14Å; Y522-K529 VanDerWaalsContact O-CG 3.27Å; Y522-K529 WeakPolarHBondContact O-CG 3.24Å; Y522-L599 HydrophobicContact CE2-CD1 3.89Å; Y522-V602 HydrophobicContact CE2-CG2 4.36Å; Y522-V602 WeakPolarHBondContact OH-CG1 3.47Å
523	A	53.4	Low	72.6	Confident	67 Å²	67	50.8 Å²	50.8	55%	0.554	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-14	172.9	0	0	0	0	0	114	P520 K529	P520-A523 HydrophobicContact CG-CB 4.32Å; A523-K529 WeakPolarHBondContact O-CE 3.49Å
524	Q	45.5	Very low	72.4	Confident	169 Å²	169	50.7 Å²	50.7	79%	0.79	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.9	-177.6	-51.4	-174.4	26.4	0	0	114	Y522	Y522-Q524 PolarHBondContact O-N 2.94Å
525	Y	55.4	Low	72.4	Confident	78 Å²	78	48.8 Å²	48.8	31%	0.306	26%	0.26	S	S	.	.			trans	-123.1	107	-173.1	-67.7	-98.3	0	0	0	110.3	Y59 H123 Y522 E527 L528 K529	Y59-Y525 HydrophobicContact CE1-CE2 4.45Å; H123-Y525 AromaticContact NE2-CZ 3.96Å; H123-Y525 PolarHBondContact NE2-OH 3.48Å; Y522-Y525 HydrophobicContact CG-CD2 4.44Å; Y522-Y525 PolarHBondContact O-N 3.19Å; Y525-E527 VanDerWaalsContact C-N 3.26Å; Y525-E527 PolarHBondContact O-N 2.97Å; Y525-E527 VanDerWaalsContact O-N 3.1Å; Y525-L528 CarbonylContact O-C 3.49Å; Y525-L528 WeakPolarHBondContact O-CA 3.48Å; Y525-L528 PolarHBondContact O-N 2.95Å; Y525-K529 WeakPolarHBondContact O-CG 3.24Å; Y525-K529 PolarHBondContact O-N 3.42Å
526	D	54.7	Low	72.5	Confident	129 Å²	129	47.2 Å²	47.2	69%	0.69	25%	0.249	S	C	*	.	H	α-helix	trans	-50.3	-42.7	-170.2	-69	-45.2	0	0	0	113.9	L528 K529	D526-L528 PolarHBondContact O-N 3.07Å; D526-K529 PolarHBondContact O-N 2.99Å; D526-K529 WeakPolarHBondContact OD1-CE 3.44Å; D526-K529 IonicContact OD1-NZ 2.62Å; D526-K529 PolarHBondContact OD1-NZ 3.41Å
527	E	55.2	Low	72.6	Confident	174 Å²	174	50.6 Å²	50.6	81%	0.813	26%	0.263	S	S	*	.	H	α-helix	trans	-65	-25.3	179.6	-60.4	-170.8	173.2	0	0	113.7	Y525	Y525-E527 VanDerWaalsContact C-N 3.26Å; Y525-E527 PolarHBondContact O-N 2.97Å; Y525-E527 VanDerWaalsContact O-N 3.1Å
528	L	63.3	Low	72.8	Confident	30 Å²	30	49.3 Å²	49.3	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-110.3	-7.9	-174.7	-56.9	172.4	0	0	0	113.3	Y522 Y525 D526 A530 M531 L599 M603	Y522-L528 HydrophobicContact CD2-CB 3.71Å; Y522-L528 HydrophobicContact CD2-CD1 3.55Å; Y522-L528 HydrophobicContact CD2-CG 4.21Å; Y522-L528 HydrophobicContact CE2-CD1 4Å; Y522-L528 HydrophobicContact CG-CB 4.29Å; Y522-L528 HydrophobicContact CG-CD1 4.14Å; Y525-L528 CarbonylContact O-C 3.49Å; Y525-L528 WeakPolarHBondContact O-CA 3.48Å; Y525-L528 PolarHBondContact O-N 2.95Å; D526-L528 PolarHBondContact O-N 3.07Å; L528-A530 PolarHBondContact O-N 3.11Å; L528-M531 HydrophobicContact CD2-SD 3.72Å; L528-M531 WeakPolarHBondContact O-CB 3.48Å; L528-M531 PolarHBondContact O-N 3.38Å; L528-L599 HydrophobicContact CD1-CD1 3.66Å; L528-L599 HydrophobicContact CD2-CD1 3.86Å; L528-L599 HydrophobicContact CG-CD1 4.43Å; L528-M603 HydrophobicContact CD2-CE 4.48Å
529	K	65	Low	73.1	Confident	85 Å²	85	54.6 Å²	54.6	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-31.7	176.5	-76.8	177.4	-157.8	-171.9	0	112.3	P520 Y522 A523 Y525 D526 M531	P520-K529 WeakPolarHBondContact CB-O 3.34Å; Y522-K529 VanDerWaalsContact O-CG 3.27Å; Y522-K529 WeakPolarHBondContact O-CG 3.24Å; A523-K529 WeakPolarHBondContact O-CE 3.49Å; Y525-K529 WeakPolarHBondContact O-CG 3.24Å; Y525-K529 PolarHBondContact O-N 3.42Å; D526-K529 PolarHBondContact O-N 2.99Å; D526-K529 WeakPolarHBondContact OD1-CE 3.44Å; D526-K529 IonicContact OD1-NZ 2.62Å; D526-K529 PolarHBondContact OD1-NZ 3.41Å; K529-M531 VanDerWaalsContact C-N 3.3Å
530	A	73.7	Confident	73.8	Confident	38 Å²	38	58.7 Å²	58.7	31%	0.314	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.1	177.8	0	0	0	0	0	113.2	S478 R479 L528	S478-A530 CarbonylContact C-O 3.5Å; R479-A530 WeakPolarHBondContact CA-O 3.15Å; R479-A530 VanDerWaalsContact CB-O 3.29Å; R479-A530 WeakPolarHBondContact CB-O 3.27Å; R479-A530 PolarHBondContact N-O 2.73Å; L528-A530 PolarHBondContact O-N 3.11Å
531	M	77.5	Confident	74.7	Confident	7 Å²	7	62.8 Å²	62.8	3%	0.034	30%	0.304	C	S	.	.			trans	-89.7	141.2	-178.2	-58	-170.3	73.9	0	0	110.4	P520 L521 L528 K529 M603 D636 M662	P520-M531 CarbonylContact C-O 3.47Å; P520-M531 WeakPolarHBondContact CA-O 3.26Å; L521-M531 HydrophobicContact CD1-CB 3.87Å; L521-M531 PolarHBondContact N-O 2.94Å; L528-M531 HydrophobicContact CD2-SD 3.72Å; L528-M531 WeakPolarHBondContact O-CB 3.48Å; L528-M531 PolarHBondContact O-N 3.38Å; K529-M531 VanDerWaalsContact C-N 3.3Å; M531-M603 HydrophobicContact CE-CE 3.1Å; M531-M603 HydrophobicContact CE-SD 3.68Å; M531-M603 HydrophobicContact SD-CE 3.38Å; M531-M603 WeakPolarHBondContact SD-CE 3.25Å; M531-D636 HydrophobicContact CE-CB 4.4Å; M531-M662 HydrophobicContact CB-SD 4.44Å; M531-M662 HydrophobicContact CE-SD 3.75Å
532	G	81.2	Confident	75.7	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-171.4	-180	0	0	0	0	0	113.8	S478 T519	S478-G532 PolarHBondContact N-O 2.88Å; S478-G532 WeakPolarHBondContact OG-CA 3.47Å; T519-G532 WeakPolarHBondContact O-CA 3.19Å
533	L	87.5	Confident	76.7	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.073	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	175.6	165.7	62	0	0	0	108.2	V475 T476 S478 T519 I634 L664 D668 I672	V475-L533 HydrophobicContact CB-CD1 4.42Å; V475-L533 HydrophobicContact CG1-CD1 3.52Å; T476-L533 WeakPolarHBondContact O-CD1 3.43Å; S478-L533 PolarHBondContact OG-N 2.73Å; S478-L533 VanDerWaalsContact OG-N 3.07Å; S478-L533 PolarHBondContact OG-O 2.87Å; T519-L533 PolarHBondContact N-O 2.88Å; L533-I634 HydrophobicContact CD1-CD1 3.53Å; L533-L664 HydrophobicContact CD1-CD2 4.07Å; L533-L664 HydrophobicContact CD2-CD2 3.67Å; L533-L664 HydrophobicContact CG-CD2 4.42Å; L533-D668 HydrophobicContact CD2-CB 3.82Å; L533-I672 HydrophobicContact CB-CD1 3.77Å; L533-I672 HydrophobicContact CD2-CD1 3.27Å; L533-I672 HydrophobicContact CG-CD1 3.36Å
534	T	90.6	Very high	77.7	Confident	0 Å²	0	65 Å²	65	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.1	169.7	-67.5	0	0	0	0	109.5	T476 S478 V481 I516 F517 A518 L536	T476-T534 HydrophobicContact CG2-CG2 4.42Å; T476-T534 PolarHBondContact N-O 3.15Å; T476-T534 PolarHBondContact O-N 3.31Å; S478-T534 WeakPolarHBondContact CA-OG1 3.4Å; S478-T534 WeakPolarHBondContact CB-OG1 3.41Å; S478-T534 PolarHBondContact OG-N 3.47Å; S478-T534 PolarHBondContact OG-OG1 2.94Å; V481-T534 HydrophobicContact CB-CG2 4.3Å; V481-T534 PolarHBondContact O-OG1 2.9Å; I516-T534 HydrophobicContact CG2-CG2 3.63Å; F517-T534 CarbonylContact O-C 3.53Å; F517-T534 WeakPolarHBondContact O-CA 3.46Å; A518-T534 HydrophobicContact CB-CG2 4.2Å; A518-T534 VanDerWaalsContact CB-OG1 3.29Å; A518-T534 WeakPolarHBondContact CB-OG1 3.29Å; T534-L536 HydrophobicContact CG2-CD2 3.67Å; T534-L536 HydrophobicContact CG2-CG 4.49Å
535	V	92.2	Very high	78.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.9	171.2	-177.1	0	0	0	0	107.9	E473 V474 V475 F517 V669 I672	E473-V535 HydrophobicContact CB-CG1 4.44Å; V474-V535 CarbonylContact O-C 3.56Å; V474-V535 VanDerWaalsContact O-CA 3.3Å; V474-V535 WeakPolarHBondContact O-CA 3.41Å; V475-V535 HydrophobicContact CG2-CG2 4.41Å; F517-V535 HydrophobicContact CB-CB 4.46Å; F517-V535 PolarHBondContact N-O 2.75Å; F517-V535 PolarHBondContact O-N 2.82Å; V535-V669 HydrophobicContact CG1-CG1 4.26Å; V535-V669 HydrophobicContact CG2-CG1 4.18Å; V535-I672 HydrophobicContact CG2-CG2 4.22Å
536	L	93.8	Very high	78.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.6	171.8	-45.9	176.5	0	0	0	108	I446 V474 T476 V481 V491 V513 I516 T534	I446-L536 HydrophobicContact CD1-CD1 3.9Å; I446-L536 HydrophobicContact CG1-CD1 4.09Å; I446-L536 HydrophobicContact CG2-CD1 4.4Å; V474-L536 HydrophobicContact CB-CB 4.19Å; V474-L536 HydrophobicContact CG1-CD1 4.32Å; V474-L536 PolarHBondContact N-O 3.24Å; V474-L536 PolarHBondContact O-N 3.06Å; T476-L536 HydrophobicContact CG2-CG 4.47Å; V481-L536 HydrophobicContact CB-CD2 4.19Å; V481-L536 HydrophobicContact CG1-CD2 3.82Å; V481-L536 HydrophobicContact CG2-CD1 4.47Å; V481-L536 HydrophobicContact CG2-CD2 4.31Å; V491-L536 HydrophobicContact CG2-CD1 3.97Å; V513-L536 HydrophobicContact CG1-CB 4.12Å; V513-L536 HydrophobicContact CG1-CD2 4.45Å; V513-L536 HydrophobicContact CG2-CB 4.5Å; V513-L536 HydrophobicContact CG2-CD1 4.39Å; I516-L536 HydrophobicContact CB-CD2 4.4Å; I516-L536 HydrophobicContact CD1-CD2 4.42Å; I516-L536 HydrophobicContact CG1-CD2 3.8Å; I516-L536 HydrophobicContact CG2-CD2 4.13Å; T534-L536 HydrophobicContact CG2-CD2 3.67Å; T534-L536 HydrophobicContact CG2-CG 4.49Å
537	K	93.6	Very high	79	Confident	84 Å²	84	59 Å²	59	37%	0.365	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.7	169.1	-169.2	172.4	-175.9	174.2	0	109	D472 G514 S515 F517	D472-K537 CarbonylContact O-C 3.49Å; D472-K537 WeakPolarHBondContact O-CA 3.43Å; D472-K537 WeakPolarHBondContact OD2-CE 3.07Å; G514-K537 WeakPolarHBondContact CA-O 3.34Å; G514-K537 PolarHBondContact N-O 3.01Å; S515-K537 PolarHBondContact N-O 3.14Å; S515-K537 PolarHBondContact O-N 2.87Å; S515-K537 WeakPolarHBondContact OG-CB 3.03Å; F517-K537 HydrophobicContact CE2-CB 3.98Å; F517-K537 HydrophobicContact CE2-CD 4.31Å
538	L	93.4	Very high	79.6	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	148.8	179.3	-54.7	-177.5	0	0	0	110.3	D472 V474 V491 I511 E512 V513 H540 V542	D472-L538 HydrophobicContact CB-CB 4.25Å; D472-L538 WeakPolarHBondContact O-CG 3.46Å; D472-L538 PolarHBondContact O-N 3.06Å; V474-L538 HydrophobicContact CG2-CD1 3.99Å; V474-L538 HydrophobicContact CG2-CD2 4.27Å; V474-L538 HydrophobicContact CG2-CG 4.22Å; V491-L538 HydrophobicContact CB-CD2 3.86Å; V491-L538 HydrophobicContact CG1-CD2 4.44Å; V491-L538 HydrophobicContact CG2-CD2 3.69Å; I511-L538 HydrophobicContact CG2-CB 4.04Å; I511-L538 HydrophobicContact CG2-CD1 4.2Å; I511-L538 HydrophobicContact CG2-CD2 4.44Å; I511-L538 HydrophobicContact CG2-CG 4.46Å; E512-L538 WeakPolarHBondContact O-CA 3.15Å; V513-L538 HydrophobicContact CG2-CD2 4.32Å; L538-H540 WeakPolarHBondContact CB-O 3.41Å; L538-H540 PolarHBondContact O-N 2.83Å; L538-V542 HydrophobicContact CD1-CG2 3.97Å
539	K	91.6	Very high	80.1	Confident	121 Å²	121	52.2 Å²	52.2	53%	0.526	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-24	173.5	-68.1	-165.3	-174.5	170.8	0	112.7	E512	E512-K539 HydrophobicContact CB-CB 4.35Å; E512-K539 HydrophobicContact CB-CD 3.79Å; E512-K539 HydrophobicContact CB-CG 4.01Å; E512-K539 PolarHBondContact O-N 3.48Å; E512-K539 WeakPolarHBondContact OE2-CD 2.88Å; E512-K539 WeakPolarHBondContact OE2-CE 3.46Å; E512-K539 IonicContact OE2-NZ 2.69Å; E512-K539 PolarHBondContact OE2-NZ 2.76Å
540	H	89.2	Confident	81	Confident	125 Å²	125	49.7 Å²	49.7	58%	0.579	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.7	-180	-57	-62.7	0	0	0	110.6	I511 L538	I511-H540 HydrophobicContact CG2-CB 4.38Å; L538-H540 WeakPolarHBondContact CB-O 3.41Å; L538-H540 PolarHBondContact O-N 2.83Å
541	R	88	Confident	81.7	Confident	134 Å²	134	48.3 Å²	48.3	51%	0.506	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135	174.1	-63.5	-179.1	73.4	-172	2.1	109.6	Q468 Y470 D472	Q468-R541 VanDerWaalsContact OE1-NH2 3.17Å; Y470-R541 PolarHBondContact O-NH2 2.88Å; D472-R541 HydrophobicContact CB-CG 3.91Å
542	V	84.5	Confident	82.2	Confident	23 Å²	23	50.2 Å²	50.2	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	178.3	-171.9	0	0	0	0	109.5	Y470 S471 V493 I511 L538	Y470-V542 CarbonylContact C-O 3.6Å; Y470-V542 VanDerWaalsContact CA-O 3.26Å; Y470-V542 WeakPolarHBondContact CA-O 3.45Å; S471-V542 PolarHBondContact N-O 3Å; S471-V542 PolarHBondContact O-N 2.91Å; V493-V542 HydrophobicContact CB-CG1 4.21Å; V493-V542 HydrophobicContact CG1-CG1 3.95Å; V493-V542 HydrophobicContact CG2-CG1 4.38Å; V493-V542 HydrophobicContact CG2-CG2 4.21Å; I511-V542 HydrophobicContact CD1-CG2 3.27Å; L538-V542 HydrophobicContact CD1-CG2 3.97Å
543	K	81.9	Confident	82.7	Confident	96 Å²	96	50.7 Å²	50.7	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.7	172.4	-163.4	178.8	-178	175.4	0	109.2	Y470 T545	Y470-K543 HydrophobicContact CD1-CB 3.72Å; Y470-K543 HydrophobicContact CD1-CG 4.13Å; Y470-K543 HydrophobicContact CE1-CB 3.42Å; Y470-K543 VanDerWaalsContact CE1-CB 3.42Å; Y470-K543 HydrophobicContact CE1-CD 4.06Å; Y470-K543 HydrophobicContact CE1-CG 3.68Å; Y470-K543 HydrophobicContact CE2-CG 4.28Å; K543-T545 PolarHBondContact O-N 3.37Å; K543-T545 VanDerWaalsContact O-N 3.16Å
544	I	74.7	Confident	82.7	Confident	54 Å²	54	50.1 Å²	50.1	28%	0.277	24%	0.243	S	C	.	.			trans	-69.1	113.8	167.9	-52.8	161.4	0	0	0	107.2	V464 T469 V548	V464-I544 HydrophobicContact CB-CD1 3.87Å; V464-I544 HydrophobicContact CG1-CD1 3.51Å; V464-I544 HydrophobicContact CG2-CD1 3.28Å; V464-I544 HydrophobicContact CG2-CG1 3.72Å; T469-I544 WeakPolarHBondContact O-CG1 3.32Å; T469-I544 PolarHBondContact O-N 3.24Å; I544-V548 VanDerWaalsContact CG2-O 3.28Å; I544-V548 WeakPolarHBondContact CG2-O 3.24Å
545	T	66.6	Low	82.2	Confident	79 Å²	79	53.3 Å²	53.3	49%	0.485	26%	0.255	S	S	.	.			trans	-105.9	166.2	179.1	50.9	0	0	0	0	110.6	K543 G547 V548	K543-T545 PolarHBondContact O-N 3.37Å; K543-T545 VanDerWaalsContact O-N 3.16Å; T545-G547 PolarHBondContact O-N 3.18Å; T545-G547 VanDerWaalsContact O-N 3.17Å; T545-V548 PolarHBondContact O-N 2.86Å
546	Q	55.8	Low	81.2	Confident	159 Å²	159	54.5 Å²	54.5	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	122.3	169	-74.6	-177.4	-16.6	0	0	108.7
547	G	59.6	Low	79.8	Confident	10 Å²	10	56.1 Å²	56.1	10%	0.103	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.8	-32.4	178.6	0	0	0	0	0	115.4	A441 T545	A441-G547 PolarHBondContact N-O 2.83Å; T545-G547 PolarHBondContact O-N 3.18Å; T545-G547 VanDerWaalsContact O-N 3.17Å
548	V	68.8	Low	79.1	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.024	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-111.6	112.9	174.9	-176	0	0	0	0	109.1	A441 L462 V493 I544 T545	A441-V548 WeakPolarHBondContact O-CA 2.98Å; L462-V548 HydrophobicContact CD1-CG1 4.06Å; V493-V548 HydrophobicContact CG1-CB 4.45Å; V493-V548 HydrophobicContact CG1-CG1 3.91Å; V493-V548 HydrophobicContact CG1-CG2 4.22Å; I544-V548 VanDerWaalsContact CG2-O 3.28Å; I544-V548 WeakPolarHBondContact CG2-O 3.24Å; T545-V548 PolarHBondContact O-N 2.86Å
549	E	74	Confident	78.6	Confident	59 Å²	59	52.4 Å²	52.4	28%	0.276	26%	0.26	S	S	.	.			trans	-110	143	-177.8	-75.2	-172.5	-166.9	0	0	113	P439 G440 A441 F551	P439-E549 VanDerWaalsContact CB-OE1 3.27Å; P439-E549 WeakPolarHBondContact CB-OE1 3.33Å; P439-E549 WeakPolarHBondContact CB-OE2 3.46Å; P439-E549 WeakPolarHBondContact CG-OE2 3.48Å; G440-E549 PolarHBondContact N-OE1 2.55Å; A441-E549 PolarHBondContact O-N 2.95Å; E549-F551 HydrophobicContact CB-CE2 4.19Å; E549-F551 HydrophobicContact CB-CZ 4.04Å
550	S	83.5	Confident	78.5	Confident	32 Å²	32	46.8 Å²	46.8	22%	0.224	24%	0.236	C	C	.	.			trans	-97.5	137.3	167.9	-172.9	0	0	0	0	109.6	L462 V464	L462-S550 VanDerWaalsContact O-CB 3.29Å; L462-S550 WeakPolarHBondContact O-CB 3.01Å; L462-S550 PolarHBondContact O-OG 3.41Å; V464-S550 VanDerWaalsContact CG2-CB 3.42Å; V464-S550 WeakPolarHBondContact CG2-OG 3.1Å; V464-S550 PolarHBondContact N-OG 2.89Å; V464-S550 VanDerWaalsContact N-OG 3.16Å
551	F	87.9	Confident	78.4	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.035	22%	0.219	C	C	.	.			trans	-108.7	138.1	179.4	-62.9	-81.4	0	0	0	109.7	L438 E549 L622 W629 Q631	L438-F551 HydrophobicContact CD1-CD1 4.47Å; L438-F551 HydrophobicContact CD1-CE1 3.55Å; L438-F551 HydrophobicContact CD1-CZ 3.94Å; E549-F551 HydrophobicContact CB-CE2 4.19Å; E549-F551 HydrophobicContact CB-CZ 4.04Å; F551-L622 HydrophobicContact CB-CD2 3.83Å; F551-L622 HydrophobicContact CD1-CD1 4.44Å; F551-L622 HydrophobicContact CD1-CD2 3.95Å; F551-L622 HydrophobicContact CD2-CD1 4.01Å; F551-L622 HydrophobicContact CD2-CD2 3.47Å; F551-L622 VanDerWaalsContact CD2-CD2 3.47Å; F551-L622 HydrophobicContact CD2-CG 4.4Å; F551-L622 HydrophobicContact CE1-CD1 4.1Å; F551-L622 HydrophobicContact CE1-CD2 4.43Å; F551-L622 HydrophobicContact CE2-CD1 3.62Å; F551-L622 HydrophobicContact CE2-CD2 4Å; F551-L622 HydrophobicContact CE2-CG 4.48Å; F551-L622 HydrophobicContact CG-CD1 4.4Å; F551-L622 HydrophobicContact CG-CD2 3.44Å; F551-L622 VanDerWaalsContact CG-CD2 3.44Å; F551-L622 HydrophobicContact CZ-CD1 3.68Å; F551-L622 HydrophobicContact CZ-CD2 4.46Å; F551-W629 HydrophobicContact CD1-CB 4.02Å; F551-W629 HydrophobicContact CE1-CB 4.14Å; F551-Q631 HydrophobicContact CB-CB 3.94Å
552	P	88.9	Confident	78.4	Confident	47 Å²	47	38 Å²	38	31%	0.305	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-63.4	147.6	176	28.7	-34.8	0	0	0	110.4	W629 T630 Q631	P552-W629 WeakPolarHBondContact CD-O 3.43Å; P552-T630 WeakPolarHBondContact O-CA 3.15Å; P552-T630 WeakPolarHBondContact O-CG2 3.38Å; P552-Q631 PolarHBondContact O-N 3.02Å
553	L	90.3	Very high	78.5	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-79.4	149.9	168.2	-58.8	-175.6	0	0	0	110.3	Y463 Q631 L664 D666 V669	Y463-L553 HydrophobicContact CD2-CD1 3.9Å; Y463-L553 HydrophobicContact CD2-CG 4.05Å; Y463-L553 HydrophobicContact CE2-CD1 3.64Å; Y463-L553 HydrophobicContact CE2-CG 3.89Å; L553-Q631 HydrophobicContact CD2-CB 4.31Å; L553-L664 HydrophobicContact CD2-CB 4.23Å; L553-L664 HydrophobicContact CD2-CD1 3.89Å; L553-D666 HydrophobicContact CB-CB 4.44Å; L553-V669 HydrophobicContact CD1-CG2 3.69Å
554	P	88.3	Confident	78.9	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.019	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71.9	151.5	177	33.1	-38.1	0	0	0	110.4	T630 Q631 F632 L664 E665 D666	P554-T630 HydrophobicContact CB-CG2 3.94Å; P554-Q631 WeakPolarHBondContact CD-O 3.34Å; P554-F632 HydrophobicContact CB-CD1 3.78Å; P554-F632 HydrophobicContact CB-CE1 3.57Å; P554-F632 HydrophobicContact CB-CG 4.5Å; P554-F632 HydrophobicContact CB-CZ 4.14Å; P554-F632 HydrophobicContact CG-CD1 3.84Å; P554-F632 HydrophobicContact CG-CE1 4.17Å; P554-F632 HydrophobicContact CG-CG 4.4Å; P554-L664 WeakPolarHBondContact CG-O 3.24Å; P554-E665 CarbonylContact O-C 3.57Å; P554-E665 WeakPolarHBondContact O-CA 3.44Å; P554-D666 WeakPolarHBondContact O-CB 3.37Å; P554-D666 PolarHBondContact O-N 3.33Å
555	Y	79.5	Confident	79.7	Confident	67 Å²	67	36.8 Å²	36.8	26%	0.263	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-64.8	151.5	171.4	-56.2	-87.4	0	0	0	110.6	I140 N141 R466 S557 T558 D666	I140-Y555 HydrophobicContact CG2-CD2 3.48Å; I140-Y555 VanDerWaalsContact CG2-CD2 3.48Å; I140-Y555 HydrophobicContact CG2-CE2 3.62Å; I140-Y555 HydrophobicContact CG2-CG 4.37Å; N141-Y555 WeakPolarHBondContact ND2-CE2 3.18Å; N141-Y555 PolarHBondContact ND2-OH 3.17Å; N141-Y555 PolarHBondContact OD1-OH 3.12Å; R466-Y555 PolarHBondContact NH2-OH 3.32Å; Y555-S557 PolarHBondContact O-N 2.05Å; Y555-T558 WeakPolarHBondContact CB-OG1 3.29Å; Y555-T558 WeakPolarHBondContact O-CA 3.36Å; Y555-T558 WeakPolarHBondContact O-CB 3.45Å; Y555-T558 PolarHBondContact O-N 3.43Å; Y555-T558 PolarHBondContact O-OG1 3.11Å; Y555-D666 WeakPolarHBondContact CA-OD1 3.3Å; Y555-D666 WeakPolarHBondContact CD1-OD2 3.13Å
556	S	71.1	Confident	81.1	Confident	24 Å²	24	33 Å²	33	17%	0.168	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-17	-179.3	-35.9	0	0	0	0	116.2	E665 D666 D667	S556-E665 WeakPolarHBondContact CA-OE2 3.5Å; S556-E665 VanDerWaalsContact CB-OE2 3.23Å; S556-E665 WeakPolarHBondContact CB-OE2 3.45Å; S556-D666 PolarHBondContact N-OD1 3.17Å; S556-D666 PolarHBondContact OG-OD1 3.25Å; S556-D667 PolarHBondContact OG-OD1 2.98Å
557	S	65.5	Low	82.9	Confident	34 Å²	34	28.7 Å²	28.7	24%	0.238	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1	175.7	57.3	0	0	0	0	113.9	Q146 Y555	Q146-S557 PolarHBondContact NE2-O 2.99Å; Q146-S557 VanDerWaalsContact NE2-O 3.11Å; Q146-S557 PolarHBondContact OE1-O 3.01Å; Q146-S557 VanDerWaalsContact OE1-O 3.07Å; Y555-S557 PolarHBondContact O-N 2.05Å
558	T	78.1	Confident	84.5	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.031	17%	0.173	C	C	.	.			trans	-102.4	126.8	-177.9	-42.4	0	0	0	0	110	I140 Y555 F632	I140-T558 HydrophobicContact CD1-CG2 3.88Å; I140-T558 WeakPolarHBondContact CD1-OG1 3.3Å; Y555-T558 WeakPolarHBondContact CB-OG1 3.29Å; Y555-T558 WeakPolarHBondContact O-CA 3.36Å; Y555-T558 WeakPolarHBondContact O-CB 3.45Å; Y555-T558 PolarHBondContact O-N 3.43Å; Y555-T558 PolarHBondContact O-OG1 3.11Å; T558-F632 HydrophobicContact CG2-CE1 3.92Å; T558-F632 HydrophobicContact CG2-CZ 3.96Å
559	S	83.9	Confident	85.4	Confident	7 Å²	7	28 Å²	28	5%	0.049	17%	0.172	C	C	.	.			trans	-127.7	149.5	175.3	-58.3	0	0	0	0	112	Y604 F632	S559-Y604 WeakPolarHBondContact CA-OH 3.39Å; S559-Y604 WeakPolarHBondContact CB-OH 3.29Å; S559-F632 VanDerWaalsContact C-CE1 3.46Å
560	A	89.7	Confident	86.1	Confident	3 Å²	3	25.4 Å²	25.4	3%	0.025	16%	0.161	C	C	.	.			trans	-68.1	142.6	171.4	0	0	0	0	0	109.4	M564 L584 Y604 F632	A560-M564 HydrophobicContact CB-SD 4.34Å; A560-L584 HydrophobicContact CB-CD1 3.57Å; A560-Y604 HydrophobicContact CB-CD1 4.38Å; A560-Y604 HydrophobicContact CB-CE1 3.88Å; A560-Y604 HydrophobicContact CB-CE2 4.05Å; A560-Y604 PolarHBondContact N-OH 2.84Å; A560-F632 HydrophobicContact CB-CB 4.01Å; A560-F632 HydrophobicContact CB-CD1 3.78Å; A560-F632 HydrophobicContact CB-CD2 4.33Å; A560-F632 HydrophobicContact CB-CE1 4.29Å; A560-F632 HydrophobicContact CB-CG 3.78Å; A560-F632 VanDerWaalsContact N-CE1 3.35Å
561	T	86.9	Confident	86.3	Confident	35 Å²	35	24 Å²	24	22%	0.215	15%	0.151	C	C	.	.			trans	-120.7	156.2	177.6	66.7	0	0	0	0	109.7	G563 M564	T561-G563 PolarHBondContact O-N 3.25Å; T561-M564 HydrophobicContact CG2-CE 4.26Å; T561-M564 PolarHBondContact N-SD 2.85Å; T561-M564 WeakPolarHBondContact O-CB 3.39Å; T561-M564 PolarHBondContact O-N 2.95Å
562	S	87.7	Confident	86.2	Confident	39 Å²	39	23.6 Å²	23.6	27%	0.273	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.7	-179.9	53.7	0	0	0	0	114.5	Q583 L584	S562-Q583 PolarHBondContact O-NE2 2.71Å; S562-L584 WeakPolarHBondContact CA-O 3.25Å; S562-L584 WeakPolarHBondContact CB-O 3.37Å
563	G	86.2	Confident	86	Confident	70 Å²	70	26.9 Å²	26.9	72%	0.722	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.1	175.4	0	0	0	0	0	114.9	T561	T561-G563 PolarHBondContact O-N 3.25Å
564	M	90.4	Very high	85.7	Confident	31 Å²	31	30 Å²	30	15%	0.153	18%	0.175	C	C	.	.	S	Bend	trans	-82.3	137.8	179.1	-68.8	172.8	-178.9	0	0	110.4	A560 T561 C566 C623	A560-M564 HydrophobicContact CB-SD 4.34Å; T561-M564 HydrophobicContact CG2-CE 4.26Å; T561-M564 PolarHBondContact N-SD 2.85Å; T561-M564 WeakPolarHBondContact O-CB 3.39Å; T561-M564 PolarHBondContact O-N 2.95Å; M564-C566 PolarHBondContact O-N 2.85Å; M564-C623 HydrophobicContact CB-CB 4.35Å
565	P	91.9	Very high	85.3	Confident	47 Å²	47	29.9 Å²	29.9	31%	0.305	18%	0.175	S	C	.	.			trans	-71.8	123.8	170.3	30.8	-32.1	0	0	0	108.6	C623 E624	P565-C623 WeakPolarHBondContact O-CA 3.31Å; P565-E624 HydrophobicContact CG-CB 3.73Å; P565-E624 PolarHBondContact O-N 2.91Å
566	C	94.9	Very high	85.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	-177.4	-60.2	0	0	0	0	111.2	M564 Y582 L584 L621 L622 C623	M564-C566 PolarHBondContact O-N 2.85Å; C566-Y582 PolarHBondContact O-N 2.87Å; C566-L584 HydrophobicContact CB-CG 4.29Å; C566-L584 WeakPolarHBondContact SG-CD1 3.49Å; C566-L621 HydrophobicContact CB-CD1 3.92Å; C566-L622 CarbonylContact C-O 3.59Å; C566-L622 WeakPolarHBondContact CA-O 3.47Å; C566-C623 HydrophobicContact CB-CB 4.11Å; C566-C623 WeakPolarHBondContact CB-SG 3.42Å; C566-C623 WeakPolarHBondContact SG-CB 3.08Å; C566-C623 CovalentContact SG-SG 2.04Å; C566-C623 PolarHBondContact SG-SG 3.43Å
567	Y	93.4	Very high	86.1	Confident	67 Å²	67	27.5 Å²	27.5	26%	0.263	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.6	179.3	-66.8	-94.8	0	0	0	110.7	R579 I580 H581 L622 W629	Y567-R579 HydrophobicContact CD1-CB 4.13Å; Y567-I580 CarbonylContact C-O 3.56Å; Y567-I580 WeakPolarHBondContact CA-O 3.35Å; Y567-H581 HydrophobicContact CD1-CB 4.11Å; Y567-H581 HydrophobicContact CE1-CB 3.74Å; Y567-H581 AromaticContact CZ-CD2 3.92Å; Y567-L622 PolarHBondContact N-O 3.19Å; Y567-L622 PolarHBondContact O-N 2.76Å; Y567-W629 AromaticContact CD2-CH2 3.54Å; Y567-W629 HydrophobicContact CD2-CH2 3.54Å; Y567-W629 AromaticContact CD2-CZ3 3.72Å; Y567-W629 HydrophobicContact CD2-CZ3 3.72Å; Y567-W629 AromaticContact CE2-CH2 3.62Å; Y567-W629 HydrophobicContact CE2-CH2 3.62Å; Y567-W629 HydrophobicContact CE2-CZ3 4.25Å
568	V	92.9	Very high	87	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	165.6	-177.9	0	0	0	0	108	R579 I580 Y582 L613 P620 L621 Y635 F661	V568-R579 WeakPolarHBondContact O-CA 3.21Å; V568-I580 PolarHBondContact N-O 2.96Å; V568-I580 PolarHBondContact O-N 3.12Å; V568-Y582 HydrophobicContact CB-CD2 3.99Å; V568-Y582 HydrophobicContact CB-CE2 4.06Å; V568-Y582 HydrophobicContact CG2-CD2 3.39Å; V568-Y582 HydrophobicContact CG2-CE2 3.67Å; V568-Y582 HydrophobicContact CG2-CG 3.96Å; V568-L613 HydrophobicContact CB-CD1 4.11Å; V568-L613 HydrophobicContact CG1-CD1 3.51Å; V568-P620 WeakPolarHBondContact CA-O 3.48Å; V568-L621 HydrophobicContact CG2-CD1 4.15Å; V568-Y635 HydrophobicContact CG1-CD2 4.27Å; V568-Y635 HydrophobicContact CG2-CD2 4.41Å; V568-F661 HydrophobicContact CG2-CE1 3.43Å; V568-F661 VanDerWaalsContact CG2-CE1 3.43Å; V568-F661 HydrophobicContact CG2-CZ 3.72Å
569	S	89.3	Confident	87.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	179.6	-171.5	0	0	0	0	109.9	S442 S619 P620	S442-S569 PolarHBondContact N-OG 2.78Å; S442-S569 WeakPolarHBondContact OG-CB 3.25Å; S442-S569 PolarHBondContact OG-OG 3Å; S569-S619 WeakPolarHBondContact O-CB 3.23Å; S569-S619 PolarHBondContact O-OG 3.17Å; S569-P620 PolarHBondContact N-O 2.91Å; S569-P620 WeakPolarHBondContact O-CD 3.45Å
570	G	88.4	Confident	87.7	Confident	5 Å²	5	27.1 Å²	27.1	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-149.2	176.3	0	0	0	0	0	110.5	P577 V578 L613	G570-P577 CarbonylContact O-C 3.59Å; G570-P577 VanDerWaalsContact O-CA 3.28Å; G570-P577 WeakPolarHBondContact O-CA 3.15Å; G570-V578 PolarHBondContact N-O 2.97Å; G570-V578 VanDerWaalsContact N-O 3.09Å; G570-V578 PolarHBondContact O-N 3.25Å; G570-L613 VanDerWaalsContact CA-CD2 3.48Å
571	V	86.3	Confident	87.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147	-179	-68.3	0	0	0	0	111.3	H445 L497 M576 L613 Q614	H445-V571 VanDerWaalsContact CE1-CG1 3.4Å; H445-V571 WeakPolarHBondContact CE1-CG1 3.37Å; H445-V571 VanDerWaalsContact CE1-CG2 3.43Å; H445-V571 WeakPolarHBondContact CE1-CG2 3.1Å; H445-V571 VanDerWaalsContact NE2-CG1 3.31Å; H445-V571 WeakPolarHBondContact NE2-CG1 3.32Å; L497-V571 HydrophobicContact CB-CB 4.47Å; L497-V571 HydrophobicContact CB-CG1 4.34Å; L497-V571 HydrophobicContact CB-CG2 4.22Å; L497-V571 HydrophobicContact CD2-CG2 4.27Å; V571-M576 CarbonylContact C-O 3.56Å; V571-M576 VanDerWaalsContact CA-O 3.26Å; V571-M576 WeakPolarHBondContact CA-O 3.49Å; V571-L613 CarbonylContact O-C 3.6Å; V571-L613 WeakPolarHBondContact O-CA 3.48Å; V571-Q614 HydrophobicContact CG2-CB 4.37Å; V571-Q614 PolarHBondContact O-N 3.09Å
572	C	87.4	Confident	88.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-178.8	175.6	69.7	0	0	0	0	113.1	H574 G575 M576 V578 I612	C572-H574 PolarHBondContact O-N 3.43Å; C572-H574 PolarHBondContact SG-N 2.96Å; C572-H574 VanDerWaalsContact SG-N 3.43Å; C572-G575 PolarHBondContact O-N 3.35Å; C572-M576 PolarHBondContact N-O 3.22Å; C572-V578 HydrophobicContact CB-CB 4.45Å; C572-V578 HydrophobicContact CB-CG1 3.67Å; C572-V578 HydrophobicContact CB-CG2 3.93Å; C572-I612 WeakPolarHBondContact CA-O 3.48Å; C572-I612 VanDerWaalsContact CB-O 3.29Å; C572-I612 WeakPolarHBondContact CB-O 3.44Å
573	E	84.8	Confident	88.5	Confident	116 Å²	116	31.6 Å²	31.6	54%	0.542	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	1.9	173.8	71.3	170.7	170.3	0	0	115.5	R499 Q614	R499-E573 VanDerWaalsContact CZ-C 3.48Å; R499-E573 PolarHBondContact NH1-O 3.46Å; R499-E573 PolarHBondContact NH2-O 2.77Å; E573-Q614 HydrophobicContact CB-CG 4.37Å
574	H	82.2	Confident	88.9	Confident	75 Å²	75	28.4 Å²	28.4	35%	0.347	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.7	171	-56.9	93.6	0	0	0	112.5	R499 C572 M576	R499-H574 VanDerWaalsContact CZ-C 3.45Å; C572-H574 PolarHBondContact O-N 3.43Å; C572-H574 PolarHBondContact SG-N 2.96Å; C572-H574 VanDerWaalsContact SG-N 3.43Å; H574-M576 HydrophobicContact CB-CG 4.14Å; H574-M576 PolarHBondContact O-N 3.17Å
575	G	81.1	Confident	89	Confident	2 Å²	2	28.2 Å²	28.2	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	77.9	4.9	-173	0	0	0	0	0	114	L496 L497 C572	L496-G575 WeakPolarHBondContact CA-O 3.36Å; L497-G575 PolarHBondContact N-O 3.33Å; C572-G575 PolarHBondContact O-N 3.35Å
576	M	82.1	Confident	88.9	Confident	39 Å²	39	28.2 Å²	28.2	19%	0.192	13%	0.134	C	C	.	.			trans	-85	143.3	178.4	-60.4	-61.4	-67.8	0	0	110.7	L496 V571 C572 H574 V578	L496-M576 HydrophobicContact CD2-CE 3.96Å; L496-M576 HydrophobicContact CD2-SD 3.51Å; L496-M576 VanDerWaalsContact CD2-SD 3.51Å; V571-M576 CarbonylContact C-O 3.56Å; V571-M576 VanDerWaalsContact CA-O 3.26Å; V571-M576 WeakPolarHBondContact CA-O 3.49Å; C572-M576 PolarHBondContact N-O 3.22Å; H574-M576 HydrophobicContact CB-CG 4.14Å; H574-M576 PolarHBondContact O-N 3.17Å; M576-V578 PolarHBondContact O-N 3.16Å
577	P	84.4	Confident	88.5	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.013	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.8	174.4	28.1	-35.8	0	0	0	110.5	I360 V362 A441 A495 G570	I360-P577 HydrophobicContact CB-CB 4.09Å; I360-P577 HydrophobicContact CB-CG 4.12Å; I360-P577 HydrophobicContact CD1-CB 3.88Å; I360-P577 HydrophobicContact CG1-CB 4.39Å; I360-P577 PolarHBondContact N-O 2.75Å; I360-P577 WeakPolarHBondContact O-CG 3.47Å; V362-P577 HydrophobicContact CG2-CG 4.01Å; A441-P577 HydrophobicContact CB-CB 3.54Å; A441-P577 HydrophobicContact CB-CG 4.31Å; A495-P577 HydrophobicContact CB-CG 4.31Å; A495-P577 WeakPolarHBondContact O-CB 3.09Å; A495-P577 WeakPolarHBondContact O-CD 3.34Å; G570-P577 CarbonylContact O-C 3.59Å; G570-P577 VanDerWaalsContact O-CA 3.28Å; G570-P577 WeakPolarHBondContact O-CA 3.15Å
578	V	85.8	Confident	88.2	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.1	-177.9	-60	0	0	0	0	110.6	H357 G570 C572 M576 I612 L613	H357-V578 VanDerWaalsContact CD2-CG1 3.46Å; H357-V578 WeakPolarHBondContact CD2-CG1 3.38Å; G570-V578 PolarHBondContact N-O 2.97Å; G570-V578 VanDerWaalsContact N-O 3.09Å; G570-V578 PolarHBondContact O-N 3.25Å; C572-V578 HydrophobicContact CB-CB 4.45Å; C572-V578 HydrophobicContact CB-CG1 3.67Å; C572-V578 HydrophobicContact CB-CG2 3.93Å; M576-V578 PolarHBondContact O-N 3.16Å; V578-I612 HydrophobicContact CG2-CG2 4.14Å; V578-L613 HydrophobicContact CG2-CD2 3.53Å; V578-L613 HydrophobicContact CG2-CG 4.4Å
579	R	88.3	Confident	88.1	Confident	35 Å²	35	31.7 Å²	31.7	13%	0.132	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.5	173.6	-66.7	162.5	179.2	163.3	2.6	109.6	I360 L438 P439 G440 Y567 V568	I360-R579 HydrophobicContact CD1-CG 3.53Å; I360-R579 VanDerWaalsContact CD1-NE 3.33Å; I360-R579 HydrophobicContact CG1-CG 3.67Å; L438-R579 HydrophobicContact CD2-CG 4.26Å; L438-R579 VanDerWaalsContact CD2-NE 3.32Å; L438-R579 VanDerWaalsContact CG-CZ 3.48Å; L438-R579 PolarHBondContact O-NH1 2.89Å; L438-R579 PolarHBondContact O-NH2 2.9Å; P439-R579 PolarHBondContact O-NH2 3.05Å; G440-R579 PolarHBondContact O-NH2 3.5Å; Y567-R579 HydrophobicContact CD1-CB 4.13Å; V568-R579 WeakPolarHBondContact O-CA 3.21Å
580	I	88.7	Confident	88.2	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.8	177.4	-54.9	179.2	0	0	0	108.3	Y567 V568 Y582 Q609 I612 L613	Y567-I580 CarbonylContact C-O 3.56Å; Y567-I580 WeakPolarHBondContact CA-O 3.35Å; V568-I580 PolarHBondContact N-O 2.96Å; V568-I580 PolarHBondContact O-N 3.12Å; I580-Y582 HydrophobicContact CB-CD2 4.27Å; I580-Y582 HydrophobicContact CB-CE2 4.08Å; I580-Y582 HydrophobicContact CG2-CD2 4.02Å; I580-Y582 HydrophobicContact CG2-CE2 3.78Å; I580-Y582 PolarHBondContact O-N 3.36Å; I580-Q609 HydrophobicContact CG2-CB 4.12Å; I580-I612 HydrophobicContact CD1-CB 3.48Å; I580-I612 VanDerWaalsContact CD1-CB 3.48Å; I580-I612 HydrophobicContact CD1-CD1 4.19Å; I580-I612 HydrophobicContact CD1-CG1 4.43Å; I580-I612 HydrophobicContact CD1-CG2 3.59Å; I580-I612 HydrophobicContact CG1-CB 4.22Å; I580-I612 HydrophobicContact CG1-CD1 4.44Å; I580-I612 HydrophobicContact CG1-CG2 3.85Å; I580-L613 HydrophobicContact CD1-CB 4.33Å; I580-L613 HydrophobicContact CD1-CD1 3.71Å; I580-L613 HydrophobicContact CD1-CG 3.52Å; I580-L613 HydrophobicContact CG1-CD1 4.31Å; I580-L613 HydrophobicContact CG1-CG 4.21Å
581	H	91.5	Very high	88.2	Confident	82 Å²	82	32.7 Å²	32.7	38%	0.38	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.7	171.6	178.5	-96	0	0	0	110.4	Y567	Y567-H581 HydrophobicContact CD1-CB 4.11Å; Y567-H581 HydrophobicContact CE1-CB 3.74Å; Y567-H581 AromaticContact CZ-CD2 3.92Å
582	Y	93.6	Very high	88.3	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.1	175.2	-94.5	-96.5	0	0	0	110	C566 V568 I580 L584 V607 E657 A659 F661	C566-Y582 PolarHBondContact O-N 2.87Å; V568-Y582 HydrophobicContact CB-CD2 3.99Å; V568-Y582 HydrophobicContact CB-CE2 4.06Å; V568-Y582 HydrophobicContact CG2-CD2 3.39Å; V568-Y582 HydrophobicContact CG2-CE2 3.67Å; V568-Y582 HydrophobicContact CG2-CG 3.96Å; I580-Y582 HydrophobicContact CB-CD2 4.27Å; I580-Y582 HydrophobicContact CB-CE2 4.08Å; I580-Y582 HydrophobicContact CG2-CD2 4.02Å; I580-Y582 HydrophobicContact CG2-CE2 3.78Å; I580-Y582 PolarHBondContact O-N 3.36Å; Y582-L584 PolarHBondContact O-N 3.42Å; Y582-V607 WeakPolarHBondContact CA-O 3.42Å; Y582-E657 WeakPolarHBondContact OH-CG 3.37Å; Y582-E657 PolarHBondContact OH-OE1 2.93Å; Y582-A659 HydrophobicContact CD1-CB 4.42Å; Y582-A659 HydrophobicContact CE1-CB 3.54Å; Y582-F661 AromaticContact CD1-CE2 3.82Å; Y582-F661 HydrophobicContact CD1-CE2 3.82Å; Y582-F661 AromaticContact CD1-CZ 3.52Å; Y582-F661 HydrophobicContact CD1-CZ 3.52Å; Y582-F661 HydrophobicContact CD2-CZ 4.46Å; Y582-F661 HydrophobicContact CE1-CE2 4.19Å; Y582-F661 AromaticContact CE1-CZ 3.73Å; Y582-F661 HydrophobicContact CE1-CZ 3.73Å; Y582-F661 HydrophobicContact CG-CE2 4.46Å; Y582-F661 AromaticContact CG-CZ 3.9Å; Y582-F661 HydrophobicContact CG-CZ 3.9Å
583	Q	94.4	Very high	88.2	Confident	87 Å²	87	42.6 Å²	42.6	41%	0.407	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107	172.6	179.9	57.8	59.5	0	0	108.7	S562 L585 G606 V607	S562-Q583 PolarHBondContact O-NE2 2.71Å; Q583-L585 PolarHBondContact O-N 3.37Å; Q583-G606 CarbonylContact O-C 3.58Å; Q583-G606 WeakPolarHBondContact O-CA 3.37Å; Q583-V607 PolarHBondContact N-O 2.99Å; Q583-V607 PolarHBondContact O-N 3.48Å
584	L	94.3	Very high	88.3	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.8	174.1	-67.5	-171.7	0	0	0	110.7	A560 S562 C566 Y582 L621 F661	A560-L584 HydrophobicContact CB-CD1 3.57Å; S562-L584 WeakPolarHBondContact CA-O 3.25Å; S562-L584 WeakPolarHBondContact CB-O 3.37Å; C566-L584 HydrophobicContact CB-CG 4.29Å; C566-L584 WeakPolarHBondContact SG-CD1 3.49Å; Y582-L584 PolarHBondContact O-N 3.42Å; L584-L621 HydrophobicContact CD1-CD2 4.36Å; L584-L621 HydrophobicContact CD2-CD1 4.35Å; L584-L621 HydrophobicContact CD2-CD2 3.96Å; L584-F661 HydrophobicContact CD2-CD2 4.47Å
585	L	92.6	Very high	88.4	Confident	27 Å²	27	36.2 Å²	36.2	14%	0.141	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-93.8	154.5	176.8	-63.3	-173.7	0	0	0	110.3	Q583 Q589 C590 C605 V607	Q583-L585 PolarHBondContact O-N 3.37Å; L585-Q589 HydrophobicContact CB-CB 4.01Å; L585-Q589 HydrophobicContact CD1-CB 4.37Å; L585-C590 VanDerWaalsContact CB-SG 3.56Å; L585-C605 PolarHBondContact N-O 2.91Å; L585-V607 HydrophobicContact CD1-CG2 3.82Å; L585-V607 HydrophobicContact CD2-CG2 4.08Å; L585-V607 HydrophobicContact CG-CG2 4.06Å
586	T	89.8	Confident	88.1	Confident	46 Å²	46	45.2 Å²	45.2	28%	0.282	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-69.3	153.4	170.5	60.9	0	0	0	0	110.4	T588 Q589 C590	T586-T588 PolarHBondContact O-N 3.34Å; T586-T588 VanDerWaalsContact O-N 3.11Å; T586-Q589 WeakPolarHBondContact O-CB 3.25Å; T586-Q589 PolarHBondContact O-N 2.59Å; T586-Q589 VanDerWaalsContact OG1-CD 3.28Å; T586-Q589 VanDerWaalsContact OG1-CG 3.27Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.16Å; T586-Q589 PolarHBondContact OG1-N 3.28Å; T586-Q589 PolarHBondContact OG1-OE1 2.8Å; T586-C590 PolarHBondContact O-N 3.04Å; T586-C590 PolarHBondContact O-SG 3.24Å
587	P	87.4	Confident	87.8	Confident	21 Å²	21	50.1 Å²	50.1	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-51.5	-38.3	177.7	-29.2	36.1	0	0	0	113.7	I78 M80 C590 A591 Y598 P600	I78-P587 HydrophobicContact CB-CB 4.12Å; I78-P587 HydrophobicContact CG2-CB 3.77Å; M80-P587 HydrophobicContact CE-CG 4.07Å; M80-P587 HydrophobicContact CG-CB 4.43Å; M80-P587 HydrophobicContact CG-CG 3.67Å; M80-P587 HydrophobicContact SD-CG 3.73Å; P587-C590 PolarHBondContact O-N 2.93Å; P587-A591 WeakPolarHBondContact O-CB 3.41Å; P587-A591 PolarHBondContact O-N 2.86Å; P587-Y598 HydrophobicContact CB-CE1 4.15Å; P587-Y598 WeakPolarHBondContact O-CE1 3.39Å; P587-P600 HydrophobicContact CB-CB 4.29Å
588	T	87.4	Confident	87.8	Confident	43 Å²	43	50.3 Å²	50.3	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.7	-52.4	0	0	0	0	112.2	T586 A591 Q592	T586-T588 PolarHBondContact O-N 3.34Å; T586-T588 VanDerWaalsContact O-N 3.11Å; T588-A591 PolarHBondContact O-N 2.84Å; T588-Q592 VanDerWaalsContact O-CG 3.26Å; T588-Q592 WeakPolarHBondContact O-CG 3.37Å; T588-Q592 PolarHBondContact O-N 2.66Å
589	Q	90.8	Very high	87.7	Confident	77 Å²	77	51 Å²	51	36%	0.36	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.4	-72.8	166.4	-47.1	0	0	111.4	L585 T586 A591 Q592 H593	L585-Q589 HydrophobicContact CB-CB 4.01Å; L585-Q589 HydrophobicContact CD1-CB 4.37Å; T586-Q589 WeakPolarHBondContact O-CB 3.25Å; T586-Q589 PolarHBondContact O-N 2.59Å; T586-Q589 VanDerWaalsContact OG1-CD 3.28Å; T586-Q589 VanDerWaalsContact OG1-CG 3.27Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.16Å; T586-Q589 PolarHBondContact OG1-N 3.28Å; T586-Q589 PolarHBondContact OG1-OE1 2.8Å; Q589-A591 VanDerWaalsContact C-N 3.35Å; Q589-A591 PolarHBondContact O-N 2.96Å; Q589-Q592 WeakPolarHBondContact O-CB 3.3Å; Q589-Q592 PolarHBondContact O-N 2.74Å; Q589-H593 PolarHBondContact O-CD2 3.43Å; Q589-H593 PolarHBondContact O-N 3.14Å; Q589-H593 VanDerWaalsContact O-N 3.1Å
590	C	90.9	Very high	87.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-49	175.2	-58.6	0	0	0	0	111.2	L585 T586 P587 Q592 H593 L594 Y598 C605	L585-C590 VanDerWaalsContact CB-SG 3.56Å; T586-C590 PolarHBondContact O-N 3.04Å; T586-C590 PolarHBondContact O-SG 3.24Å; P587-C590 PolarHBondContact O-N 2.93Å; C590-Q592 VanDerWaalsContact C-N 3.33Å; C590-Q592 PolarHBondContact O-N 2.89Å; C590-H593 PolarHBondContact O-N 3.46Å; C590-L594 VanDerWaalsContact O-CB 3.26Å; C590-L594 WeakPolarHBondContact O-CB 3.46Å; C590-L594 WeakPolarHBondContact O-CG 3.4Å; C590-L594 PolarHBondContact O-N 3.25Å; C590-Y598 HydrophobicContact CB-CD1 3.44Å; C590-Y598 VanDerWaalsContact CB-CD1 3.44Å; C590-Y598 HydrophobicContact CB-CD2 3.84Å; C590-Y598 HydrophobicContact CB-CE1 3.33Å; C590-Y598 HydrophobicContact CB-CE2 3.76Å; C590-Y598 HydrophobicContact CB-CG 3.69Å; C590-Y598 VanDerWaalsContact CB-CZ 3.5Å; C590-C605 HydrophobicContact CB-CB 3.92Å; C590-C605 WeakPolarHBondContact SG-CB 3.04Å; C590-C605 PolarHBondContact SG-SG 3Å
591	A	87.7	Confident	87.2	Confident	25 Å²	25	49.7 Å²	49.7	21%	0.207	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-36.2	178.3	0	0	0	0	0	112.6	I78 P587 T588 Q589 H593 G595 Y598	I78-A591 HydrophobicContact CD1-CB 3.32Å; P587-A591 WeakPolarHBondContact O-CB 3.41Å; P587-A591 PolarHBondContact O-N 2.86Å; T588-A591 PolarHBondContact O-N 2.84Å; Q589-A591 VanDerWaalsContact C-N 3.35Å; Q589-A591 PolarHBondContact O-N 2.96Å; A591-H593 VanDerWaalsContact C-N 3.32Å; A591-H593 PolarHBondContact O-N 2.92Å; A591-G595 VanDerWaalsContact O-CA 3.24Å; A591-G595 WeakPolarHBondContact O-CA 3.33Å; A591-G595 PolarHBondContact O-N 3Å; A591-Y598 HydrophobicContact CB-CD1 4.28Å
592	Q	88.6	Confident	86.7	Confident	142 Å²	142	46 Å²	46	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-39.2	174	-75.6	170	-9.6	0	0	112.4	T588 Q589 C590	T588-Q592 VanDerWaalsContact O-CG 3.26Å; T588-Q592 WeakPolarHBondContact O-CG 3.37Å; T588-Q592 PolarHBondContact O-N 2.66Å; Q589-Q592 WeakPolarHBondContact O-CB 3.3Å; Q589-Q592 PolarHBondContact O-N 2.74Å; C590-Q592 VanDerWaalsContact C-N 3.33Å; C590-Q592 PolarHBondContact O-N 2.89Å
593	H	86.9	Confident	86.5	Confident	67 Å²	67	46 Å²	46	31%	0.31	24%	0.238	S	C	.	.	H	α-helix	trans	-82.1	-36.3	-178.8	-69.7	-59.8	0	0	0	113.5	Q589 C590 A591 R641 I658	Q589-H593 PolarHBondContact O-CD2 3.43Å; Q589-H593 PolarHBondContact O-N 3.14Å; Q589-H593 VanDerWaalsContact O-N 3.1Å; C590-H593 PolarHBondContact O-N 3.46Å; A591-H593 VanDerWaalsContact C-N 3.32Å; A591-H593 PolarHBondContact O-N 2.92Å; H593-R641 PolarHBondContact O-NH1 3.13Å; H593-I658 HydrophobicContact CB-CD1 3.65Å
594	L	86.3	Confident	86.4	Confident	17 Å²	17	42.5 Å²	42.5	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-110.8	-16.4	-166.2	-55.8	-174	0	0	0	114	C590 K597 Y598 C605 L639 I658 L660	C590-L594 VanDerWaalsContact O-CB 3.26Å; C590-L594 WeakPolarHBondContact O-CB 3.46Å; C590-L594 WeakPolarHBondContact O-CG 3.4Å; C590-L594 PolarHBondContact O-N 3.25Å; L594-K597 PolarHBondContact O-N 2.8Å; L594-Y598 HydrophobicContact CD1-CD2 4.47Å; L594-C605 HydrophobicContact CD1-CB 4.07Å; L594-L639 HydrophobicContact CD1-CD1 4.48Å; L594-L639 HydrophobicContact CD2-CD1 3.35Å; L594-L639 HydrophobicContact CG-CD1 4.38Å; L594-I658 HydrophobicContact CD1-CG2 4.2Å; L594-I658 HydrophobicContact CD2-CG2 4.01Å; L594-I658 HydrophobicContact CG-CG2 4.4Å; L594-L660 HydrophobicContact CD1-CD1 4.08Å; L594-L660 HydrophobicContact CD1-CD2 3.65Å; L594-L660 HydrophobicContact CD1-CG 3.93Å
595	G	84.1	Confident	86.4	Confident	41 Å²	41	42.4 Å²	42.4	42%	0.423	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	59.1	-138.2	-176.1	0	0	0	0	0	112.1	A591 K597 Y598	A591-G595 VanDerWaalsContact O-CA 3.24Å; A591-G595 WeakPolarHBondContact O-CA 3.33Å; A591-G595 PolarHBondContact O-N 3Å; G595-K597 PolarHBondContact O-N 3.06Å; G595-K597 VanDerWaalsContact O-N 3.17Å; G595-Y598 PolarHBondContact O-N 3.25Å
596	E	74.5	Confident	86.5	Confident	191 Å²	191	41.1 Å²	41.1	89%	0.893	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-66.2	-15	-176.5	-59.3	-174.2	157.7	0	0	113.9	Y598	E596-Y598 PolarHBondContact O-N 2.82Å
597	K	76.4	Confident	86.6	Confident	141 Å²	141	40 Å²	40	61%	0.613	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-69.4	-20.7	176.1	-63.1	-173.1	176.5	-172.6	0	113	L594 G595	L594-K597 PolarHBondContact O-N 2.8Å; G595-K597 PolarHBondContact O-N 3.06Å; G595-K597 VanDerWaalsContact O-N 3.17Å
598	Y	84.8	Confident	86.7	Confident	6 Å²	6	39.2 Å²	39.2	2%	0.024	20%	0.203	C	C	.	.			trans	-90.6	120.1	178.9	173.7	-115.4	0	0	0	111.1	P587 C590 A591 L594 G595 E596 P600 M603 C605 L660	P587-Y598 HydrophobicContact CB-CE1 4.15Å; P587-Y598 WeakPolarHBondContact O-CE1 3.39Å; C590-Y598 HydrophobicContact CB-CD1 3.44Å; C590-Y598 VanDerWaalsContact CB-CD1 3.44Å; C590-Y598 HydrophobicContact CB-CD2 3.84Å; C590-Y598 HydrophobicContact CB-CE1 3.33Å; C590-Y598 HydrophobicContact CB-CE2 3.76Å; C590-Y598 HydrophobicContact CB-CG 3.69Å; C590-Y598 VanDerWaalsContact CB-CZ 3.5Å; A591-Y598 HydrophobicContact CB-CD1 4.28Å; L594-Y598 HydrophobicContact CD1-CD2 4.47Å; G595-Y598 PolarHBondContact O-N 3.25Å; E596-Y598 PolarHBondContact O-N 2.82Å; Y598-P600 HydrophobicContact CD1-CB 4.42Å; Y598-P600 HydrophobicContact CE1-CB 3.64Å; Y598-P600 HydrophobicContact CE1-CG 4.41Å; Y598-P600 WeakPolarHBondContact O-CD 3.31Å; Y598-M603 HydrophobicContact CD2-CB 4.25Å; Y598-M603 HydrophobicContact CE2-CB 4.02Å; Y598-M603 WeakPolarHBondContact CE2-O 3.36Å; Y598-M603 PolarHBondContact OH-O 3.14Å; Y598-C605 HydrophobicContact CD2-CB 4.29Å; Y598-C605 HydrophobicContact CE2-CB 4.16Å; Y598-L660 HydrophobicContact CD2-CD2 3.77Å; Y598-L660 HydrophobicContact CE2-CD2 4.42Å
599	L	83.7	Confident	86.6	Confident	16 Å²	16	40 Å²	40	8%	0.084	20%	0.204	C	C	.	.			trans	-105.3	99.3	176.3	-56.6	-177.4	0	0	0	110.1	Y522 L528 N601 V602 M603	Y522-L599 HydrophobicContact CE2-CD1 3.89Å; L528-L599 HydrophobicContact CD1-CD1 3.66Å; L528-L599 HydrophobicContact CD2-CD1 3.86Å; L528-L599 HydrophobicContact CG-CD1 4.43Å; L599-N601 VanDerWaalsContact C-N 3.26Å; L599-N601 PolarHBondContact O-N 2.78Å; L599-N601 VanDerWaalsContact O-N 3.14Å; L599-V602 HydrophobicContact CB-CG2 3.64Å; L599-V602 HydrophobicContact CD1-CG2 4.17Å; L599-V602 PolarHBondContact O-N 2.86Å; L599-V602 VanDerWaalsContact O-N 3.16Å; L599-M603 HydrophobicContact CB-CE 3.98Å; L599-M603 HydrophobicContact CB-SD 4.39Å; L599-M603 HydrophobicContact CD1-CE 3.9Å; L599-M603 HydrophobicContact CG-CE 3.97Å; L599-M603 PolarHBondContact O-N 3.23Å
600	P	84	Confident	86.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.9	-168.4	22.8	-34.2	0	0	0	114.6	I78 M80 P587 Y598 K663	I78-P600 HydrophobicContact CG2-CB 3.84Å; I78-P600 HydrophobicContact CG2-CG 3.76Å; M80-P600 HydrophobicContact CG-CB 4.23Å; M80-P600 WeakPolarHBondContact CG-O 3.5Å; P587-P600 HydrophobicContact CB-CB 4.29Å; Y598-P600 HydrophobicContact CD1-CB 4.42Å; Y598-P600 HydrophobicContact CE1-CB 3.64Å; Y598-P600 HydrophobicContact CE1-CG 4.41Å; Y598-P600 WeakPolarHBondContact O-CD 3.31Å; P600-K663 WeakPolarHBondContact O-CE 3.35Å; P600-K663 PolarHBondContact O-NZ 2.97Å
601	N	82	Confident	85.7	Confident	8 Å²	8	45 Å²	45	4%	0.043	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-29.4	-179.1	-53.3	-38.3	0	0	0	112.2	P58 A60 I81 L599 K663	P58-N601 WeakPolarHBondContact O-CB 2.92Å; P58-N601 PolarHBondContact O-ND2 3.02Å; A60-N601 PolarHBondContact O-ND2 3.45Å; I81-N601 PolarHBondContact N-OD1 3.11Å; L599-N601 VanDerWaalsContact C-N 3.26Å; L599-N601 PolarHBondContact O-N 2.78Å; L599-N601 VanDerWaalsContact O-N 3.14Å; N601-K663 WeakPolarHBondContact O-CD 3.46Å; N601-K663 PolarHBondContact O-NZ 3.44Å
602	V	81.3	Confident	85.5	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.036	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-9.8	-172.4	-58.7	0	0	0	0	114.1	P58 L521 Y522 L599 M662 K663	P58-V602 HydrophobicContact CB-CG1 4.05Å; L521-V602 HydrophobicContact CD1-CB 4.34Å; L521-V602 HydrophobicContact CD1-CG2 4.02Å; Y522-V602 HydrophobicContact CE2-CG2 4.36Å; Y522-V602 WeakPolarHBondContact OH-CG1 3.47Å; L599-V602 HydrophobicContact CB-CG2 3.64Å; L599-V602 HydrophobicContact CD1-CG2 4.17Å; L599-V602 PolarHBondContact O-N 2.86Å; L599-V602 VanDerWaalsContact O-N 3.16Å; V602-M662 HydrophobicContact CB-CE 4.34Å; V602-M662 VanDerWaalsContact O-CE 3.29Å; V602-M662 WeakPolarHBondContact O-CE 3.3Å; V602-K663 WeakPolarHBondContact O-CG 3.44Å; V602-K663 PolarHBondContact O-N 2.76Å
603	M	88.7	Confident	85.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.8	-179.4	-51.5	178.9	-165.8	0	0	113	L528 M531 Y598 L599 L660 F661 M662 K663	L528-M603 HydrophobicContact CD2-CE 4.48Å; M531-M603 HydrophobicContact CE-CE 3.1Å; M531-M603 HydrophobicContact CE-SD 3.68Å; M531-M603 HydrophobicContact SD-CE 3.38Å; M531-M603 WeakPolarHBondContact SD-CE 3.25Å; Y598-M603 HydrophobicContact CD2-CB 4.25Å; Y598-M603 HydrophobicContact CE2-CB 4.02Å; Y598-M603 WeakPolarHBondContact CE2-O 3.36Å; Y598-M603 PolarHBondContact OH-O 3.14Å; L599-M603 HydrophobicContact CB-CE 3.98Å; L599-M603 HydrophobicContact CB-SD 4.39Å; L599-M603 HydrophobicContact CD1-CE 3.9Å; L599-M603 HydrophobicContact CG-CE 3.97Å; L599-M603 PolarHBondContact O-N 3.23Å; M603-L660 HydrophobicContact CB-CD2 4.13Å; M603-L660 HydrophobicContact SD-CD1 4.35Å; M603-L660 HydrophobicContact SD-CD2 3.89Å; M603-F661 CarbonylContact C-O 3.38Å; M603-F661 VanDerWaalsContact CA-O 3.24Å; M603-F661 WeakPolarHBondContact CA-O 3.35Å; M603-M662 HydrophobicContact CG-SD 4.18Å; M603-K663 VanDerWaalsContact C-CE 3.45Å; M603-K663 WeakPolarHBondContact O-CE 3.48Å
604	Y	92.8	Very high	85.6	Confident	13 Å²	13	38 Å²	38	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	157.7	152.7	-57.3	-66.6	0	0	0	109.2	S559 A560 L621 F632 F661 K663	S559-Y604 WeakPolarHBondContact CA-OH 3.39Å; S559-Y604 WeakPolarHBondContact CB-OH 3.29Å; A560-Y604 HydrophobicContact CB-CD1 4.38Å; A560-Y604 HydrophobicContact CB-CE1 3.88Å; A560-Y604 HydrophobicContact CB-CE2 4.05Å; A560-Y604 PolarHBondContact N-OH 2.84Å; Y604-L621 HydrophobicContact CD2-CD2 4.14Å; Y604-F632 HydrophobicContact CE2-CB 4.08Å; Y604-F632 WeakPolarHBondContact CE2-O 3.15Å; Y604-F661 PolarHBondContact N-O 3Å; Y604-F661 PolarHBondContact O-N 3.44Å; Y604-K663 HydrophobicContact CD1-CD 4.4Å; Y604-K663 HydrophobicContact CD1-CG 4.45Å; Y604-K663 HydrophobicContact CD2-CB 4.48Å; Y604-K663 HydrophobicContact CD2-CD 4.37Å; Y604-K663 HydrophobicContact CD2-CG 3.66Å; Y604-K663 HydrophobicContact CE1-CD 3.94Å; Y604-K663 HydrophobicContact CE1-CG 4.28Å; Y604-K663 HydrophobicContact CE2-CB 4.02Å; Y604-K663 HydrophobicContact CE2-CD 3.9Å; Y604-K663 HydrophobicContact CE2-CG 3.45Å; Y604-K663 VanDerWaalsContact CE2-CG 3.45Å; Y604-K663 HydrophobicContact CG-CG 4.15Å
605	C	93.4	Very high	85.7	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	166.8	144.1	0	0	0	0	108.9	L585 C590 L594 Y598 I658 A659 L660	L585-C605 PolarHBondContact N-O 2.91Å; C590-C605 HydrophobicContact CB-CB 3.92Å; C590-C605 WeakPolarHBondContact SG-CB 3.04Å; C590-C605 PolarHBondContact SG-SG 3Å; L594-C605 HydrophobicContact CD1-CB 4.07Å; Y598-C605 HydrophobicContact CD2-CB 4.29Å; Y598-C605 HydrophobicContact CE2-CB 4.16Å; C605-I658 WeakPolarHBondContact SG-CG2 3.35Å; C605-A659 VanDerWaalsContact CA-O 3.28Å; C605-A659 WeakPolarHBondContact CA-O 3.35Å; C605-L660 HydrophobicContact CB-CD2 3.8Å
606	G	94.2	Very high	86.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.7	-176.6	0	0	0	0	0	111.7	Q583 I658 A659	Q583-G606 CarbonylContact O-C 3.58Å; Q583-G606 WeakPolarHBondContact O-CA 3.37Å; G606-I658 WeakPolarHBondContact O-CA 3.47Å; G606-A659 PolarHBondContact N-O 3.4Å; G606-A659 PolarHBondContact O-N 3.25Å
607	V	92.4	Very high	87	Confident	22 Å²	22	33.1 Å²	33.1	13%	0.133	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129	176.5	-174.4	0	0	0	0	108.9	Y582 Q583 L585 M643 R656 E657 I658	Y582-V607 WeakPolarHBondContact CA-O 3.42Å; Q583-V607 PolarHBondContact N-O 2.99Å; Q583-V607 PolarHBondContact O-N 3.48Å; L585-V607 HydrophobicContact CD1-CG2 3.82Å; L585-V607 HydrophobicContact CD2-CG2 4.08Å; L585-V607 HydrophobicContact CG-CG2 4.06Å; V607-M643 HydrophobicContact CG2-CE 3.63Å; V607-R656 HydrophobicContact CG1-CB 4.16Å; V607-E657 WeakPolarHBondContact CA-O 3.26Å; V607-I658 HydrophobicContact CG2-CG1 4.4Å
608	G	89.7	Confident	87.8	Confident	6 Å²	6	26.4 Å²	26.4	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	176.5	176.6	0	0	0	0	0	112	R656 E657	G608-R656 WeakPolarHBondContact O-CA 3.16Å; G608-E657 PolarHBondContact N-O 3.08Å; G608-E657 VanDerWaalsContact N-O 3.12Å; G608-E657 PolarHBondContact O-N 2.89Å
609	Q	85	Confident	88.3	Confident	58 Å²	58	26.1 Å²	26.1	27%	0.271	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.8	169.9	-73	169.3	-18.6	0	0	109.3	I580 I612 E654	I580-Q609 HydrophobicContact CG2-CB 4.12Å; Q609-I612 HydrophobicContact CB-CD1 3.42Å; Q609-I612 VanDerWaalsContact CB-CD1 3.42Å; Q609-I612 HydrophobicContact CG-CD1 4.18Å; Q609-E654 PolarHBondContact NE2-OE2 3.38Å
610	K	83.3	Confident	88.8	Confident	49 Å²	49	25.4 Å²	25.4	21%	0.213	13%	0.126	C	C	.	.	S	Bend	trans	-81.3	159.4	179.3	-161	-171.7	177	-145.6	0	110.8	I612 N640 P655 E657	K610-I612 PolarHBondContact O-N 2.91Å; K610-N640 WeakPolarHBondContact CE-OD1 3.35Å; K610-N640 PolarHBondContact NZ-OD1 2.82Å; K610-N640 VanDerWaalsContact NZ-OD1 3.1Å; K610-P655 HydrophobicContact CB-CB 4.04Å; K610-P655 HydrophobicContact CB-CG 4.29Å; K610-P655 VanDerWaalsContact CB-O 3.23Å; K610-P655 WeakPolarHBondContact CB-O 3.39Å; K610-P655 HydrophobicContact CD-CB 4.44Å; K610-P655 PolarHBondContact N-O 2.84Å; K610-E657 HydrophobicContact CB-CB 4Å; K610-E657 HydrophobicContact CB-CG 4.14Å; K610-E657 HydrophobicContact CD-CB 4.37Å; K610-E657 HydrophobicContact CG-CB 3.92Å; K610-E657 HydrophobicContact CG-CG 4.22Å
611	E	79.6	Confident	89.3	Confident	134 Å²	134	25.3 Å²	25.3	63%	0.626	13%	0.125	S	C	*	.	S	Bend	trans	65.7	4.5	164.9	-79	157.8	-149.1	0	0	116.3
612	I	84.7	Confident	89.9	Confident	12 Å²	12	25 Å²	25	6%	0.062	12%	0.123	C	C	.	.	S	Bend	trans	-80.2	-38.7	174.4	-67.9	164.2	0	0	0	111.6	H357 C572 V578 I580 Q609 K610	H357-I612 HydrophobicContact CB-CD1 4.02Å; H357-I612 HydrophobicContact CB-CG1 4.38Å; H357-I612 HydrophobicContact CB-CG2 3.79Å; C572-I612 WeakPolarHBondContact CA-O 3.48Å; C572-I612 VanDerWaalsContact CB-O 3.29Å; C572-I612 WeakPolarHBondContact CB-O 3.44Å; V578-I612 HydrophobicContact CG2-CG2 4.14Å; I580-I612 HydrophobicContact CD1-CB 3.48Å; I580-I612 VanDerWaalsContact CD1-CB 3.48Å; I580-I612 HydrophobicContact CD1-CD1 4.19Å; I580-I612 HydrophobicContact CD1-CG1 4.43Å; I580-I612 HydrophobicContact CD1-CG2 3.59Å; I580-I612 HydrophobicContact CG1-CB 4.22Å; I580-I612 HydrophobicContact CG1-CD1 4.44Å; I580-I612 HydrophobicContact CG1-CG2 3.85Å; Q609-I612 HydrophobicContact CB-CD1 3.42Å; Q609-I612 VanDerWaalsContact CB-CD1 3.42Å; Q609-I612 HydrophobicContact CG-CD1 4.18Å; K610-I612 PolarHBondContact O-N 2.91Å
613	L	88.5	Confident	90.5	Very high	19 Å²	19	24.7 Å²	24.7	10%	0.099	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.7	-179.1	-76.6	167.9	0	0	0	111.6	V568 G570 V571 V578 I580 P616	V568-L613 HydrophobicContact CB-CD1 4.11Å; V568-L613 HydrophobicContact CG1-CD1 3.51Å; G570-L613 VanDerWaalsContact CA-CD2 3.48Å; V571-L613 CarbonylContact O-C 3.6Å; V571-L613 WeakPolarHBondContact O-CA 3.48Å; V578-L613 HydrophobicContact CG2-CD2 3.53Å; V578-L613 HydrophobicContact CG2-CG 4.4Å; I580-L613 HydrophobicContact CD1-CB 4.33Å; I580-L613 HydrophobicContact CD1-CD1 3.71Å; I580-L613 HydrophobicContact CD1-CG 3.52Å; I580-L613 HydrophobicContact CG1-CD1 4.31Å; I580-L613 HydrophobicContact CG1-CG 4.21Å; L613-P616 HydrophobicContact CB-CB 3.91Å; L613-P616 HydrophobicContact CD1-CB 4.22Å
614	Q	87.7	Confident	90.6	Very high	57 Å²	57	26.4 Å²	26.4	27%	0.266	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.3	163.1	-69.8	-162.8	-33.9	0	0	110.1	R499 V571 E573	R499-Q614 VanDerWaalsContact NH2-CD 3.35Å; V571-Q614 HydrophobicContact CG2-CB 4.37Å; V571-Q614 PolarHBondContact O-N 3.09Å; E573-Q614 HydrophobicContact CB-CG 4.37Å
615	H	89.7	Confident	90.2	Very high	67 Å²	67	26.4 Å²	26.4	31%	0.31	13%	0.131	S	C	.	.	S	Bend	trans	47.9	52	177.9	-46.5	99.1	0	0	0	113.1	A456 L457 T459 I617	A456-H615 PolarHBondContact O-CD2 2.82Å; A456-H615 PolarHBondContact O-NE2 2.96Å; L457-H615 PolarHBondContact O-CD2 2.86Å; T459-H615 PolarHBondContact N-O 2.01Å; T459-H615 PolarHBondContact OG1-O 2.87Å; H615-I617 PolarHBondContact O-N 3.04Å
616	P	92.6	Very high	89.5	Confident	29 Å²	29	28.5 Å²	28.5	19%	0.188	15%	0.146	C	C	.	.			trans	-67.7	-18.9	-172.4	28.7	-36.3	0	0	0	113.1	L613 G618 S619 Y635	L613-P616 HydrophobicContact CB-CB 3.91Å; L613-P616 HydrophobicContact CD1-CB 4.22Å; P616-G618 PolarHBondContact O-N 2.91Å; P616-S619 WeakPolarHBondContact O-CB 3.2Å; P616-S619 PolarHBondContact O-N 3.16Å; P616-S619 PolarHBondContact O-OG 3.14Å; P616-S619 VanDerWaalsContact O-OG 3.13Å; P616-Y635 HydrophobicContact CB-CD1 4.06Å; P616-Y635 HydrophobicContact CB-CD2 4.4Å; P616-Y635 HydrophobicContact CB-CE1 3.99Å; P616-Y635 HydrophobicContact CB-CE2 4.35Å; P616-Y635 HydrophobicContact CB-CG 4.28Å; P616-Y635 HydrophobicContact CG-CD1 4.42Å; P616-Y635 HydrophobicContact CG-CE1 3.97Å; P616-Y635 VanDerWaalsContact O-CB 3.27Å; P616-Y635 WeakPolarHBondContact O-CB 3.38Å
617	I	93.1	Very high	88.9	Confident	50 Å²	50	30.8 Å²	30.8	26%	0.256	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	130.1	176.3	-57.1	-176.6	0	0	0	108.5	C458 T459 A477 C480 H615 S619 D636	C458-I617 VanDerWaalsContact CB-O 3.29Å; C458-I617 WeakPolarHBondContact CB-O 3.28Å; T459-I617 PolarHBondContact N-O 3Å; A477-I617 HydrophobicContact CB-CG2 3.95Å; C480-I617 HydrophobicContact CB-CG2 4.21Å; H615-I617 PolarHBondContact O-N 3.04Å; I617-S619 VanDerWaalsContact C-N 3.3Å; I617-S619 PolarHBondContact O-N 2.73Å; I617-D636 WeakPolarHBondContact CG1-O 2.93Å
618	G	93.6	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-9.7	-176.7	0	0	0	0	0	115.2	T459 P616 I634 Y635	T459-G618 CarbonylContact O-C 3.59Å; T459-G618 VanDerWaalsContact O-CA 3.23Å; T459-G618 WeakPolarHBondContact O-CA 3.42Å; P616-G618 PolarHBondContact O-N 2.91Å; G618-I634 VanDerWaalsContact CA-CG2 3.41Å; G618-Y635 PolarHBondContact N-O 3.47Å
619	S	93.9	Very high	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.			trans	-62.2	142.9	175.3	-71.8	0	0	0	0	111.9	T459 S569 P616 I617 I634 Y635	T459-S619 WeakPolarHBondContact CB-OG 3.42Å; T459-S619 WeakPolarHBondContact CG2-OG 3.46Å; S569-S619 WeakPolarHBondContact O-CB 3.23Å; S569-S619 PolarHBondContact O-OG 3.17Å; P616-S619 WeakPolarHBondContact O-CB 3.2Å; P616-S619 PolarHBondContact O-N 3.16Å; P616-S619 PolarHBondContact O-OG 3.14Å; P616-S619 VanDerWaalsContact O-OG 3.13Å; I617-S619 VanDerWaalsContact C-N 3.3Å; I617-S619 PolarHBondContact O-N 2.73Å; S619-I634 WeakPolarHBondContact O-CA 3.48Å; S619-Y635 WeakPolarHBondContact O-CB 3.34Å; S619-Y635 PolarHBondContact O-N 3.14Å
620	P	94.7	Very high	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.6	-179.7	30.2	-35.5	0	0	0	112.6	S442 T461 V568 S569 L622 Q631	S442-P620 WeakPolarHBondContact OG-CG 3.34Å; T461-P620 HydrophobicContact CG2-CB 3.45Å; T461-P620 VanDerWaalsContact CG2-CB 3.45Å; T461-P620 HydrophobicContact CG2-CG 3.31Å; V568-P620 WeakPolarHBondContact CA-O 3.48Å; S569-P620 PolarHBondContact N-O 2.91Å; S569-P620 WeakPolarHBondContact O-CD 3.45Å; P620-L622 HydrophobicContact CB-CD2 3.82Å; P620-L622 HydrophobicContact CB-CG 4.15Å; P620-L622 HydrophobicContact CG-CD1 4.45Å; P620-L622 HydrophobicContact CG-CD2 4.22Å; P620-L622 HydrophobicContact CG-CG 4.24Å; P620-Q631 HydrophobicContact CB-CG 3.72Å
621	L	95.3	Very high	89.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.4	163.1	179.5	70.9	0	0	0	109.1	C566 V568 L584 Y604 Q631 F632 G633 F661	C566-L621 HydrophobicContact CB-CD1 3.92Å; V568-L621 HydrophobicContact CG2-CD1 4.15Å; L584-L621 HydrophobicContact CD1-CD2 4.36Å; L584-L621 HydrophobicContact CD2-CD1 4.35Å; L584-L621 HydrophobicContact CD2-CD2 3.96Å; Y604-L621 HydrophobicContact CD2-CD2 4.14Å; L621-Q631 CarbonylContact O-C 3.34Å; L621-Q631 WeakPolarHBondContact O-CA 3.29Å; L621-F632 PolarHBondContact O-N 3.05Å; L621-G633 PolarHBondContact N-O 2.85Å; L621-F661 HydrophobicContact CB-CD1 3.74Å; L621-F661 HydrophobicContact CB-CE1 4.14Å; L621-F661 HydrophobicContact CB-CG 4.27Å; L621-F661 HydrophobicContact CD1-CD1 4.15Å; L621-F661 HydrophobicContact CD1-CE1 3.92Å; L621-F661 HydrophobicContact CD1-CE2 4.32Å; L621-F661 HydrophobicContact CD1-CG 4.45Å; L621-F661 HydrophobicContact CD1-CZ 4.01Å; L621-F661 HydrophobicContact CD2-CB 3.97Å; L621-F661 HydrophobicContact CD2-CD1 4.11Å; L621-F661 HydrophobicContact CD2-CD2 4.11Å; L621-F661 HydrophobicContact CD2-CG 3.8Å; L621-F661 HydrophobicContact CG-CD1 4.21Å; L621-F661 HydrophobicContact CG-CE1 4.46Å; L621-F661 HydrophobicContact CG-CG 4.39Å
622	L	94.1	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.1	-178	-55.4	176.7	0	0	0	109.1	L438 F551 C566 Y567 P620 W629 T630 Q631	L438-L622 HydrophobicContact CD1-CB 4.48Å; L438-L622 HydrophobicContact CD1-CD1 3.94Å; L438-L622 HydrophobicContact CD2-CB 4.44Å; L438-L622 HydrophobicContact CD2-CD1 3.78Å; L438-L622 HydrophobicContact CG-CD1 4.43Å; F551-L622 HydrophobicContact CB-CD2 3.83Å; F551-L622 HydrophobicContact CD1-CD1 4.44Å; F551-L622 HydrophobicContact CD1-CD2 3.95Å; F551-L622 HydrophobicContact CD2-CD1 4.01Å; F551-L622 HydrophobicContact CD2-CD2 3.47Å; F551-L622 VanDerWaalsContact CD2-CD2 3.47Å; F551-L622 HydrophobicContact CD2-CG 4.4Å; F551-L622 HydrophobicContact CE1-CD1 4.1Å; F551-L622 HydrophobicContact CE1-CD2 4.43Å; F551-L622 HydrophobicContact CE2-CD1 3.62Å; F551-L622 HydrophobicContact CE2-CD2 4Å; F551-L622 HydrophobicContact CE2-CG 4.48Å; F551-L622 HydrophobicContact CG-CD1 4.4Å; F551-L622 HydrophobicContact CG-CD2 3.44Å; F551-L622 VanDerWaalsContact CG-CD2 3.44Å; F551-L622 HydrophobicContact CZ-CD1 3.68Å; F551-L622 HydrophobicContact CZ-CD2 4.46Å; C566-L622 CarbonylContact C-O 3.59Å; C566-L622 WeakPolarHBondContact CA-O 3.47Å; Y567-L622 PolarHBondContact N-O 3.19Å; Y567-L622 PolarHBondContact O-N 2.76Å; P620-L622 HydrophobicContact CB-CD2 3.82Å; P620-L622 HydrophobicContact CB-CG 4.15Å; P620-L622 HydrophobicContact CG-CD1 4.45Å; P620-L622 HydrophobicContact CG-CD2 4.22Å; P620-L622 HydrophobicContact CG-CG 4.24Å; L622-W629 HydrophobicContact CB-CE3 4.22Å; L622-T630 WeakPolarHBondContact CA-O 3.44Å; L622-Q631 HydrophobicContact CD2-CB 3.93Å; L622-Q631 HydrophobicContact CD2-CG 4.37Å
623	C	94.2	Very high	90.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.8	175.1	-55	0	0	0	0	111.2	M564 P565 C566 S625 W629 T630 F632	M564-C623 HydrophobicContact CB-CB 4.35Å; P565-C623 WeakPolarHBondContact O-CA 3.31Å; C566-C623 HydrophobicContact CB-CB 4.11Å; C566-C623 WeakPolarHBondContact CB-SG 3.42Å; C566-C623 WeakPolarHBondContact SG-CB 3.08Å; C566-C623 CovalentContact SG-SG 2.04Å; C566-C623 PolarHBondContact SG-SG 3.43Å; C623-S625 PolarHBondContact O-N 3.21Å; C623-W629 VanDerWaalsContact C-CE3 3.48Å; C623-T630 PolarHBondContact N-O 2.67Å; C623-T630 PolarHBondContact O-N 3.06Å; C623-F632 HydrophobicContact CB-CD2 3.61Å; C623-F632 HydrophobicContact CB-CE2 3.95Å
624	E	90.5	Very high	90.8	Very high	37 Å²	37	25.7 Å²	25.7	17%	0.173	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.8	173.2	-165.7	176.6	-151.7	0	0	109.5	S436 P565 W629	S436-E624 PolarHBondContact N-OE1 3.18Å; S436-E624 PolarHBondContact OG-OE1 3.33Å; P565-E624 HydrophobicContact CG-CB 3.73Å; P565-E624 PolarHBondContact O-N 2.91Å; E624-W629 HydrophobicContact CB-CD2 4.32Å; E624-W629 HydrophobicContact CB-CE3 4.17Å; E624-W629 HydrophobicContact CB-CH2 3.93Å; E624-W629 HydrophobicContact CB-CZ2 4.11Å; E624-W629 HydrophobicContact CB-CZ3 3.97Å
625	S	85.1	Confident	91.1	Very high	13 Å²	13	23.1 Å²	23.1	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.5	175.7	-177.2	0	0	0	0	109.5	C623 G627 R628	C623-S625 PolarHBondContact O-N 3.21Å; S625-G627 VanDerWaalsContact C-N 3.32Å; S625-G627 PolarHBondContact O-N 3.35Å; S625-R628 PolarHBondContact N-O 2.66Å; S625-R628 PolarHBondContact O-N 2.9Å; S625-R628 VanDerWaalsContact O-N 3.14Å
626	S	78.5	Confident	91.2	Very high	45 Å²	45	20 Å²	20	32%	0.315	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.5	-178.9	-72.3	0	0	0	0	114.8	V144 R628	V144-S626 WeakPolarHBondContact CA-OG 3.4Å; V144-S626 WeakPolarHBondContact CG2-OG 3.5Å; V144-S626 PolarHBondContact N-OG 2.95Å; S626-R628 VanDerWaalsContact C-N 3.28Å; S626-R628 PolarHBondContact O-N 3.08Å
627	G	81.8	Confident	91	Very high	48 Å²	48	20.8 Å²	20.8	50%	0.495	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	18.6	178.2	0	0	0	0	0	114	S625	S625-G627 VanDerWaalsContact C-N 3.32Å; S625-G627 PolarHBondContact O-N 3.35Å
628	R	86.1	Confident	90.8	Very high	154 Å²	154	20.2 Å²	20.2	58%	0.581	11%	0.111	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	135	172.6	-66	-176.8	67.1	164.3	2.2	110.1	S625 S626	S625-R628 PolarHBondContact N-O 2.66Å; S625-R628 PolarHBondContact O-N 2.9Å; S625-R628 VanDerWaalsContact O-N 3.14Å; S626-R628 VanDerWaalsContact C-N 3.28Å; S626-R628 PolarHBondContact O-N 3.08Å
629	W	89.6	Confident	90	Very high	21 Å²	21	22.2 Å²	22.2	8%	0.08	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.7	169.1	-67	100.7	0	0	0	110.4	S436 L438 F551 P552 Y567 L622 C623 E624	S436-W629 PolarHBondContact O-NE1 3.43Å; S436-W629 PolarHBondContact OG-NE1 3.08Å; L438-W629 HydrophobicContact CB-CD2 4.07Å; L438-W629 HydrophobicContact CB-CG 4.4Å; L438-W629 HydrophobicContact CB-CZ2 3.93Å; L438-W629 HydrophobicContact CD1-CB 3.59Å; L438-W629 HydrophobicContact CD1-CD2 3.35Å; L438-W629 HydrophobicContact CD1-CE3 3.82Å; L438-W629 HydrophobicContact CD1-CG 3.2Å; L438-W629 HydrophobicContact CG-CD2 4.17Å; L438-W629 HydrophobicContact CG-CG 4.35Å; F551-W629 HydrophobicContact CD1-CB 4.02Å; F551-W629 HydrophobicContact CE1-CB 4.14Å; P552-W629 WeakPolarHBondContact CD-O 3.43Å; Y567-W629 AromaticContact CD2-CH2 3.54Å; Y567-W629 HydrophobicContact CD2-CH2 3.54Å; Y567-W629 AromaticContact CD2-CZ3 3.72Å; Y567-W629 HydrophobicContact CD2-CZ3 3.72Å; Y567-W629 AromaticContact CE2-CH2 3.62Å; Y567-W629 HydrophobicContact CE2-CH2 3.62Å; Y567-W629 HydrophobicContact CE2-CZ3 4.25Å; L622-W629 HydrophobicContact CB-CE3 4.22Å; C623-W629 VanDerWaalsContact C-CE3 3.48Å; E624-W629 HydrophobicContact CB-CD2 4.32Å; E624-W629 HydrophobicContact CB-CE3 4.17Å; E624-W629 HydrophobicContact CB-CH2 3.93Å; E624-W629 HydrophobicContact CB-CZ2 4.11Å; E624-W629 HydrophobicContact CB-CZ3 3.97Å
630	T	91.1	Very high	88.3	Confident	15 Å²	15	28.2 Å²	28.2	9%	0.092	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.9	-176.3	-54	0	0	0	0	108.4	P552 P554 L622 C623 F632	P552-T630 WeakPolarHBondContact O-CA 3.15Å; P552-T630 WeakPolarHBondContact O-CG2 3.38Å; P554-T630 HydrophobicContact CB-CG2 3.94Å; L622-T630 WeakPolarHBondContact CA-O 3.44Å; C623-T630 PolarHBondContact N-O 2.67Å; C623-T630 PolarHBondContact O-N 3.06Å; T630-F632 HydrophobicContact CG2-CD2 4.15Å; T630-F632 HydrophobicContact CG2-CE2 3.95Å; T630-F632 HydrophobicContact CG2-CZ 4.38Å; T630-F632 WeakPolarHBondContact O-CD2 3.31Å; T630-F632 PolarHBondContact O-N 3.41Å
631	Q	93.5	Very high	86.3	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	95	176.8	-178.9	-179.3	-13.6	0	0	109.5	T461 F551 P552 L553 P554 P620 L621 L622 L664	T461-Q631 PolarHBondContact OG1-NE2 3.37Å; T461-Q631 VanDerWaalsContact OG1-NE2 3.15Å; T461-Q631 PolarHBondContact OG1-OE1 3.27Å; F551-Q631 HydrophobicContact CB-CB 3.94Å; P552-Q631 PolarHBondContact O-N 3.02Å; L553-Q631 HydrophobicContact CD2-CB 4.31Å; P554-Q631 WeakPolarHBondContact CD-O 3.34Å; P620-Q631 HydrophobicContact CB-CG 3.72Å; L621-Q631 CarbonylContact O-C 3.34Å; L621-Q631 WeakPolarHBondContact O-CA 3.29Å; L622-Q631 HydrophobicContact CD2-CB 3.93Å; L622-Q631 HydrophobicContact CD2-CG 4.37Å; Q631-L664 HydrophobicContact CG-CD1 3.72Å
632	F	93.5	Very high	83.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-19.8	-178.9	-84.2	-87.5	0	0	0	113.7	P554 T558 S559 A560 Y604 L621 C623 T630 L664	P554-F632 HydrophobicContact CB-CD1 3.78Å; P554-F632 HydrophobicContact CB-CE1 3.57Å; P554-F632 HydrophobicContact CB-CG 4.5Å; P554-F632 HydrophobicContact CB-CZ 4.14Å; P554-F632 HydrophobicContact CG-CD1 3.84Å; P554-F632 HydrophobicContact CG-CE1 4.17Å; P554-F632 HydrophobicContact CG-CG 4.4Å; T558-F632 HydrophobicContact CG2-CE1 3.92Å; T558-F632 HydrophobicContact CG2-CZ 3.96Å; S559-F632 VanDerWaalsContact C-CE1 3.46Å; A560-F632 HydrophobicContact CB-CB 4.01Å; A560-F632 HydrophobicContact CB-CD1 3.78Å; A560-F632 HydrophobicContact CB-CD2 4.33Å; A560-F632 HydrophobicContact CB-CE1 4.29Å; A560-F632 HydrophobicContact CB-CG 3.78Å; A560-F632 VanDerWaalsContact N-CE1 3.35Å; Y604-F632 HydrophobicContact CE2-CB 4.08Å; Y604-F632 WeakPolarHBondContact CE2-O 3.15Å; L621-F632 PolarHBondContact O-N 3.05Å; C623-F632 HydrophobicContact CB-CD2 3.61Å; C623-F632 HydrophobicContact CB-CE2 3.95Å; T630-F632 HydrophobicContact CG2-CD2 4.15Å; T630-F632 HydrophobicContact CG2-CE2 3.95Å; T630-F632 HydrophobicContact CG2-CZ 4.38Å; T630-F632 WeakPolarHBondContact O-CD2 3.31Å; T630-F632 PolarHBondContact O-N 3.41Å; F632-L664 PolarHBondContact O-N 3.1Å
633	G	93.9	Very high	81.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-176.2	179.5	0	0	0	0	0	115.2	L621 M662	L621-G633 PolarHBondContact N-O 2.85Å; G633-M662 CarbonylContact C-O 3.6Å; G633-M662 WeakPolarHBondContact CA-O 3.16Å
634	I	94.3	Very high	78.8	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.6	-178.6	-56.4	-178.4	0	0	0	108.2	V475 A477 L533 G618 S619 D636 F661 M662 L664	V475-I634 HydrophobicContact CG1-CD1 3.45Å; V475-I634 VanDerWaalsContact CG1-CD1 3.45Å; V475-I634 HydrophobicContact CG1-CG1 4.35Å; A477-I634 HydrophobicContact CB-CG2 3.97Å; L533-I634 HydrophobicContact CD1-CD1 3.53Å; G618-I634 VanDerWaalsContact CA-CG2 3.41Å; S619-I634 WeakPolarHBondContact O-CA 3.48Å; I634-D636 PolarHBondContact O-N 3.08Å; I634-F661 CarbonylContact O-C 3.53Å; I634-F661 WeakPolarHBondContact O-CA 3.32Å; I634-M662 HydrophobicContact CB-CB 4.35Å; I634-M662 PolarHBondContact N-O 3.09Å; I634-M662 PolarHBondContact O-N 2.86Å; I634-L664 HydrophobicContact CD1-CD1 4.01Å; I634-L664 HydrophobicContact CD1-CD2 3.95Å; I634-L664 HydrophobicContact CD1-CG 4.28Å; I634-L664 HydrophobicContact CG1-CD1 3.57Å; I634-L664 HydrophobicContact CG1-CD2 4.24Å; I634-L664 HydrophobicContact CG1-CG 4.01Å
635	Y	94.3	Very high	76.5	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	120	174.2	-169.1	-68.8	0	0	0	110	V568 P616 G618 S619 S638 E657 A659 F661	V568-Y635 HydrophobicContact CG1-CD2 4.27Å; V568-Y635 HydrophobicContact CG2-CD2 4.41Å; P616-Y635 HydrophobicContact CB-CD1 4.06Å; P616-Y635 HydrophobicContact CB-CD2 4.4Å; P616-Y635 HydrophobicContact CB-CE1 3.99Å; P616-Y635 HydrophobicContact CB-CE2 4.35Å; P616-Y635 HydrophobicContact CB-CG 4.28Å; P616-Y635 HydrophobicContact CG-CD1 4.42Å; P616-Y635 HydrophobicContact CG-CE1 3.97Å; P616-Y635 VanDerWaalsContact O-CB 3.27Å; P616-Y635 WeakPolarHBondContact O-CB 3.38Å; G618-Y635 PolarHBondContact N-O 3.47Å; S619-Y635 WeakPolarHBondContact O-CB 3.34Å; S619-Y635 PolarHBondContact O-N 3.14Å; Y635-S638 WeakPolarHBondContact OH-CB 3.02Å; Y635-S638 PolarHBondContact OH-OG 3.23Å; Y635-E657 PolarHBondContact OH-OE1 3.11Å; Y635-E657 PolarHBondContact OH-OE2 3.06Å; Y635-A659 HydrophobicContact CD2-CB 4.15Å; Y635-A659 HydrophobicContact CE2-CB 3.43Å; Y635-A659 VanDerWaalsContact CE2-CB 3.43Å; Y635-F661 HydrophobicContact CD2-CD1 4.31Å; Y635-F661 AromaticContact CD2-CE1 3.53Å; Y635-F661 HydrophobicContact CD2-CE1 3.53Å; Y635-F661 HydrophobicContact CD2-CZ 4.03Å; Y635-F661 HydrophobicContact CE2-CE1 4.36Å; Y635-F661 HydrophobicContact CE2-CZ 4.44Å; Y635-F661 HydrophobicContact CG-CE1 4.15Å
636	D	91.5	Very high	74.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-59	179.5	-168	86.3	0	0	0	111.2	R479 M531 I617 I634 L660 M662	R479-D636 IonicContact CZ-OD2 3.81Å; R479-D636 IonicContact NE-OD2 3.18Å; R479-D636 PolarHBondContact NE-OD2 2.73Å; R479-D636 IonicContact NH2-OD2 3.51Å; M531-D636 HydrophobicContact CE-CB 4.4Å; I617-D636 WeakPolarHBondContact CG1-O 2.93Å; I634-D636 PolarHBondContact O-N 3.08Å; D636-L660 PolarHBondContact N-O 2.76Å; D636-M662 HydrophobicContact CB-CG 4.11Å
637	H	89.5	Confident	72.2	Confident	47 Å²	47	63.1 Å²	63.1	22%	0.218	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	163.4	178.8	65	-80.6	0	0	0	110.8	L660	H637-L660 VanDerWaalsContact CE1-CD1 3.45Å; H637-L660 WeakPolarHBondContact CE1-CD1 3.25Å; H637-L660 VanDerWaalsContact NE2-CD1 3.32Å; H637-L660 WeakPolarHBondContact NE2-CD1 3.34Å; H637-L660 PolarHBondContact O-N 2.89Å
638	S	87.5	Confident	70	Confident	37 Å²	37	66.8 Å²	66.8	26%	0.259	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	157.7	166.3	51	0	0	0	0	111.8	Y635 E657 I658	Y635-S638 WeakPolarHBondContact OH-CB 3.02Å; Y635-S638 PolarHBondContact OH-OG 3.23Å; S638-E657 WeakPolarHBondContact CB-OE2 3.28Å; S638-E657 PolarHBondContact OG-OE2 2.82Å; S638-I658 WeakPolarHBondContact CA-O 2.98Å; S638-I658 WeakPolarHBondContact CB-O 3.44Å
639	L	77.1	Confident	67.9	Low	42 Å²	42	66.9 Å²	66.9	22%	0.22	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.7	175.3	-69.5	165	0	0	0	109	L594 R641 I658 L660	L594-L639 HydrophobicContact CD1-CD1 4.48Å; L594-L639 HydrophobicContact CD2-CD1 3.35Å; L594-L639 HydrophobicContact CG-CD1 4.38Å; L639-R641 PolarHBondContact O-N 3.4Å; L639-I658 PolarHBondContact N-O 2.89Å; L639-L660 HydrophobicContact CD1-CD1 4.34Å
640	N	58.3	Low	65.2	Low	126 Å²	126	72.6 Å²	72.6	67%	0.674	40%	0.398	S	S	*	.			trans	-71.8	76.5	171.7	-74.2	-27.7	0	0	0	109.4	K610	K610-N640 WeakPolarHBondContact CE-OD1 3.35Å; K610-N640 PolarHBondContact NZ-OD1 2.82Å; K610-N640 VanDerWaalsContact NZ-OD1 3.1Å
641	R	52.6	Low	62.5	Low	170 Å²	170	75 Å²	75	64%	0.642	43%	0.426	S	S	*	.			trans	-112.9	120.9	162.6	-111.9	-178.6	-178.1	179.5	-1.6	108.2	H593 L639 M643	H593-R641 PolarHBondContact O-NH1 3.13Å; L639-R641 PolarHBondContact O-N 3.4Å; R641-M643 PolarHBondContact O-N 3.43Å
642	P	39.4	Very low	59.8	Low	124 Å²	124	85.4 Å²	85.4	81%	0.805	47%	0.471	S	S	*	.			trans	-59.6	112.3	164.3	23.9	-28.9	0	0	0	106.7	A644	P642-A644 PolarHBondContact O-N 3.24Å
643	M	47	Very low	57.6	Low	47 Å²	47	91.6 Å²	91.6	23%	0.232	50%	0.5	C	S	.	.			trans	-61.8	108.1	167.8	-86	-162.4	169.8	0	0	106.7	V607 R641 Y645 I658	V607-M643 HydrophobicContact CG2-CE 3.63Å; R641-M643 PolarHBondContact O-N 3.43Å; M643-Y645 PolarHBondContact O-N 3.45Å; M643-I658 HydrophobicContact CE-CD1 3.38Å; M643-I658 HydrophobicContact CE-CG1 3.62Å; M643-I658 HydrophobicContact CG-CD1 4.39Å
644	A	39.9	Very low	55.8	Low	97 Å²	97	95.4 Å²	95.4	80%	0.802	52%	0.518	S	S	*	.			trans	-68.8	81.8	167.5	0	0	0	0	0	108.2	P642	P642-A644 PolarHBondContact O-N 3.24Å
645	Y	41	Very low	54.5	Low	166 Å²	166	98.5 Å²	98.5	65%	0.651	54%	0.538	S	S	*	.			trans	-74	123.6	159.2	-120.9	-93.7	0	0	0	106.1	M643 A647	M643-Y645 PolarHBondContact O-N 3.45Å; Y645-A647 PolarHBondContact O-N 3.47Å
646	N	35.5	Very low	53.9	Low	161 Å²	161	105.4 Å²	105.4	86%	0.861	56%	0.564	S	S	*	*			trans	-67.8	71.6	164.2	-70.8	-22.5	0	0	0	108.1
647	A	39.2	Very low	53.8	Low	64 Å²	64	106.2 Å²	106.2	53%	0.529	57%	0.568	S	S	.	*			trans	-104	83.1	172.9	0	0	0	0	0	107.6	Y645 H649	Y645-A647 PolarHBondContact O-N 3.47Å; A647-H649 PolarHBondContact O-N 3.22Å
648	V	35.6	Very low	53.8	Low	124 Å²	124	104.3 Å²	104.3	75%	0.752	56%	0.559	S	S	*	*			trans	-58.4	122.7	158.2	169	0	0	0	0	106.4
649	H	41.6	Very low	54.1	Low	156 Å²	156	102.5 Å²	102.5	72%	0.722	55%	0.547	S	S	*	.	S	Bend	trans	97.4	103.2	172.2	-63.5	48	0	0	0	119	A647	A647-H649 PolarHBondContact O-N 3.22Å
650	T	33.3	Very low	54.8	Low	141 Å²	141	100.6 Å²	100.6	87%	0.865	54%	0.537	S	S	*	.			trans	49.9	97.9	135.6	60.2	0	0	0	0	118.9
651	G	34.3	Very low	56.5	Low	67 Å²	67	94.6 Å²	94.6	69%	0.691	51%	0.505	S	S	*	.			trans	164.8	130.9	160.3	0	0	0	0	0	110.2	Q653	G651-Q653 PolarHBondContact O-N 3.27Å
652	K	37	Very low	58.3	Low	221 Å²	221	86.7 Å²	86.7	96%	0.961	48%	0.475	S	S	*	.			trans	-49.5	107.2	175	-77.7	-179.7	175.9	-179.8	0	108.9	E654	K652-E654 PolarHBondContact O-N 3.41Å
653	Q	46.3	Very low	60.7	Low	129 Å²	129	81.3 Å²	81.3	60%	0.603	44%	0.439	S	S	*	.			trans	-80.9	115.4	-175.9	-165.2	171.2	1.7	0	0	108.2	G651	G651-Q653 PolarHBondContact O-N 3.27Å
654	E	56.4	Low	62.7	Low	80 Å²	80	79.1 Å²	79.1	37%	0.374	43%	0.428	S	S	.	.			trans	-57.8	135.9	174.8	-69.6	-172	146.7	0	0	109.8	N356 Q609 K652 R656	N356-E654 PolarHBondContact ND2-OE1 3.39Å; Q609-E654 PolarHBondContact NE2-OE2 3.38Å; K652-E654 PolarHBondContact O-N 3.41Å; E654-R656 PolarHBondContact O-N 3.33Å
655	P	66.6	Low	64.7	Low	66 Å²	66	75 Å²	75	43%	0.429	39%	0.392	S	S	.	.			trans	-63.7	114.6	-177.9	27.2	-33.4	0	0	0	108.5	K610	K610-P655 HydrophobicContact CB-CB 4.04Å; K610-P655 HydrophobicContact CB-CG 4.29Å; K610-P655 VanDerWaalsContact CB-O 3.23Å; K610-P655 WeakPolarHBondContact CB-O 3.39Å; K610-P655 HydrophobicContact CD-CB 4.44Å; K610-P655 PolarHBondContact N-O 2.84Å
656	R	82.5	Confident	66.3	Low	149 Å²	149	69.6 Å²	69.6	56%	0.562	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.3	173.9	-68.8	-174.4	177.9	175.2	-1	109.5	V607 G608 E654	V607-R656 HydrophobicContact CG1-CB 4.16Å; G608-R656 WeakPolarHBondContact O-CA 3.16Å; E654-R656 PolarHBondContact O-N 3.33Å
657	E	88.2	Confident	68.2	Low	16 Å²	16	64.2 Å²	64.2	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.3	173.5	68.1	-174.7	153.1	0	0	111.7	Y582 V607 G608 K610 Y635 S638	Y582-E657 WeakPolarHBondContact OH-CG 3.37Å; Y582-E657 PolarHBondContact OH-OE1 2.93Å; V607-E657 WeakPolarHBondContact CA-O 3.26Å; G608-E657 PolarHBondContact N-O 3.08Å; G608-E657 VanDerWaalsContact N-O 3.12Å; G608-E657 PolarHBondContact O-N 2.89Å; K610-E657 HydrophobicContact CB-CB 4Å; K610-E657 HydrophobicContact CB-CG 4.14Å; K610-E657 HydrophobicContact CD-CB 4.37Å; K610-E657 HydrophobicContact CG-CB 3.92Å; K610-E657 HydrophobicContact CG-CG 4.22Å; Y635-E657 PolarHBondContact OH-OE1 3.11Å; Y635-E657 PolarHBondContact OH-OE2 3.06Å; S638-E657 WeakPolarHBondContact CB-OE2 3.28Å; S638-E657 PolarHBondContact OG-OE2 2.82Å
658	I	90.9	Very high	69.9	Low	7 Å²	7	61.3 Å²	61.3	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.1	165.5	-56.8	-178.9	0	0	0	106.7	H593 L594 C605 G606 V607 S638 L639 M643	H593-I658 HydrophobicContact CB-CD1 3.65Å; L594-I658 HydrophobicContact CD1-CG2 4.2Å; L594-I658 HydrophobicContact CD2-CG2 4.01Å; L594-I658 HydrophobicContact CG-CG2 4.4Å; C605-I658 WeakPolarHBondContact SG-CG2 3.35Å; G606-I658 WeakPolarHBondContact O-CA 3.47Å; V607-I658 HydrophobicContact CG2-CG1 4.4Å; S638-I658 WeakPolarHBondContact CA-O 2.98Å; S638-I658 WeakPolarHBondContact CB-O 3.44Å; L639-I658 PolarHBondContact N-O 2.89Å; M643-I658 HydrophobicContact CE-CD1 3.38Å; M643-I658 HydrophobicContact CE-CG1 3.62Å; M643-I658 HydrophobicContact CG-CD1 4.39Å
659	A	93.2	Very high	71.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.2	177.3	0	0	0	0	0	111	Y582 C605 G606 Y635 F661	Y582-A659 HydrophobicContact CD1-CB 4.42Å; Y582-A659 HydrophobicContact CE1-CB 3.54Å; C605-A659 VanDerWaalsContact CA-O 3.28Å; C605-A659 WeakPolarHBondContact CA-O 3.35Å; G606-A659 PolarHBondContact N-O 3.4Å; G606-A659 PolarHBondContact O-N 3.25Å; Y635-A659 HydrophobicContact CD2-CB 4.15Å; Y635-A659 HydrophobicContact CE2-CB 3.43Å; Y635-A659 VanDerWaalsContact CE2-CB 3.43Å; A659-F661 HydrophobicContact CB-CE2 3.8Å; A659-F661 HydrophobicContact CB-CZ 3.76Å
660	L	93.1	Very high	73.1	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.8	170.8	-78.3	165.1	0	0	0	109.6	L594 Y598 M603 C605 D636 H637 L639	L594-L660 HydrophobicContact CD1-CD1 4.08Å; L594-L660 HydrophobicContact CD1-CD2 3.65Å; L594-L660 HydrophobicContact CD1-CG 3.93Å; Y598-L660 HydrophobicContact CD2-CD2 3.77Å; Y598-L660 HydrophobicContact CE2-CD2 4.42Å; M603-L660 HydrophobicContact CB-CD2 4.13Å; M603-L660 HydrophobicContact SD-CD1 4.35Å; M603-L660 HydrophobicContact SD-CD2 3.89Å; C605-L660 HydrophobicContact CB-CD2 3.8Å; D636-L660 PolarHBondContact N-O 2.76Å; H637-L660 VanDerWaalsContact CE1-CD1 3.45Å; H637-L660 WeakPolarHBondContact CE1-CD1 3.25Å; H637-L660 VanDerWaalsContact NE2-CD1 3.32Å; H637-L660 WeakPolarHBondContact NE2-CD1 3.34Å; H637-L660 PolarHBondContact O-N 2.89Å; L639-L660 HydrophobicContact CD1-CD1 4.34Å
661	F	93.8	Very high	75	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127	-179.7	-56.5	-88.2	0	0	0	110.2	V568 Y582 L584 M603 Y604 L621 I634 Y635 A659 K663	V568-F661 HydrophobicContact CG2-CE1 3.43Å; V568-F661 VanDerWaalsContact CG2-CE1 3.43Å; V568-F661 HydrophobicContact CG2-CZ 3.72Å; Y582-F661 AromaticContact CD1-CE2 3.82Å; Y582-F661 HydrophobicContact CD1-CE2 3.82Å; Y582-F661 AromaticContact CD1-CZ 3.52Å; Y582-F661 HydrophobicContact CD1-CZ 3.52Å; Y582-F661 HydrophobicContact CD2-CZ 4.46Å; Y582-F661 HydrophobicContact CE1-CE2 4.19Å; Y582-F661 AromaticContact CE1-CZ 3.73Å; Y582-F661 HydrophobicContact CE1-CZ 3.73Å; Y582-F661 HydrophobicContact CG-CE2 4.46Å; Y582-F661 AromaticContact CG-CZ 3.9Å; Y582-F661 HydrophobicContact CG-CZ 3.9Å; L584-F661 HydrophobicContact CD2-CD2 4.47Å; M603-F661 CarbonylContact C-O 3.38Å; M603-F661 VanDerWaalsContact CA-O 3.24Å; M603-F661 WeakPolarHBondContact CA-O 3.35Å; Y604-F661 PolarHBondContact N-O 3Å; Y604-F661 PolarHBondContact O-N 3.44Å; L621-F661 HydrophobicContact CB-CD1 3.74Å; L621-F661 HydrophobicContact CB-CE1 4.14Å; L621-F661 HydrophobicContact CB-CG 4.27Å; L621-F661 HydrophobicContact CD1-CD1 4.15Å; L621-F661 HydrophobicContact CD1-CE1 3.92Å; L621-F661 HydrophobicContact CD1-CE2 4.32Å; L621-F661 HydrophobicContact CD1-CG 4.45Å; L621-F661 HydrophobicContact CD1-CZ 4.01Å; L621-F661 HydrophobicContact CD2-CB 3.97Å; L621-F661 HydrophobicContact CD2-CD1 4.11Å; L621-F661 HydrophobicContact CD2-CD2 4.11Å; L621-F661 HydrophobicContact CD2-CG 3.8Å; L621-F661 HydrophobicContact CG-CD1 4.21Å; L621-F661 HydrophobicContact CG-CE1 4.46Å; L621-F661 HydrophobicContact CG-CG 4.39Å; I634-F661 CarbonylContact O-C 3.53Å; I634-F661 WeakPolarHBondContact O-CA 3.32Å; Y635-F661 HydrophobicContact CD2-CD1 4.31Å; Y635-F661 AromaticContact CD2-CE1 3.53Å; Y635-F661 HydrophobicContact CD2-CE1 3.53Å; Y635-F661 HydrophobicContact CD2-CZ 4.03Å; Y635-F661 HydrophobicContact CE2-CE1 4.36Å; Y635-F661 HydrophobicContact CE2-CZ 4.44Å; Y635-F661 HydrophobicContact CG-CE1 4.15Å; A659-F661 HydrophobicContact CB-CE2 3.8Å; A659-F661 HydrophobicContact CB-CZ 3.76Å; F661-K663 PolarHBondContact O-N 2.95Å
662	M	90.5	Very high	76.6	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.4	171	-72.5	-46.9	-48.3	0	0	110.6	L521 M531 V602 M603 G633 I634 D636	L521-M662 HydrophobicContact CD1-CE 3.12Å; L521-M662 HydrophobicContact CD1-SD 3.75Å; L521-M662 HydrophobicContact CD2-CE 3.67Å; L521-M662 HydrophobicContact CG-CE 3.75Å; M531-M662 HydrophobicContact CB-SD 4.44Å; M531-M662 HydrophobicContact CE-SD 3.75Å; V602-M662 HydrophobicContact CB-CE 4.34Å; V602-M662 VanDerWaalsContact O-CE 3.29Å; V602-M662 WeakPolarHBondContact O-CE 3.3Å; M603-M662 HydrophobicContact CG-SD 4.18Å; G633-M662 CarbonylContact C-O 3.6Å; G633-M662 WeakPolarHBondContact CA-O 3.16Å; I634-M662 HydrophobicContact CB-CB 4.35Å; I634-M662 PolarHBondContact N-O 3.09Å; I634-M662 PolarHBondContact O-N 2.86Å; D636-M662 HydrophobicContact CB-CG 4.11Å
663	K	89.2	Confident	78	Confident	10 Å²	10	36.8 Å²	36.8	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	141.7	178.1	-58.7	-168.1	-171.7	173.6	0	111.2	M80 R83 P600 N601 V602 M603 Y604 F661	M80-K663 PolarHBondContact SD-NZ 2.79Å; R83-K663 PolarHBondContact NH2-O 2.96Å; P600-K663 WeakPolarHBondContact O-CE 3.35Å; P600-K663 PolarHBondContact O-NZ 2.97Å; N601-K663 WeakPolarHBondContact O-CD 3.46Å; N601-K663 PolarHBondContact O-NZ 3.44Å; V602-K663 WeakPolarHBondContact O-CG 3.44Å; V602-K663 PolarHBondContact O-N 2.76Å; M603-K663 VanDerWaalsContact C-CE 3.45Å; M603-K663 WeakPolarHBondContact O-CE 3.48Å; Y604-K663 HydrophobicContact CD1-CD 4.4Å; Y604-K663 HydrophobicContact CD1-CG 4.45Å; Y604-K663 HydrophobicContact CD2-CB 4.48Å; Y604-K663 HydrophobicContact CD2-CD 4.37Å; Y604-K663 HydrophobicContact CD2-CG 3.66Å; Y604-K663 HydrophobicContact CE1-CD 3.94Å; Y604-K663 HydrophobicContact CE1-CG 4.28Å; Y604-K663 HydrophobicContact CE2-CB 4.02Å; Y604-K663 HydrophobicContact CE2-CD 3.9Å; Y604-K663 HydrophobicContact CE2-CG 3.45Å; Y604-K663 VanDerWaalsContact CE2-CG 3.45Å; Y604-K663 HydrophobicContact CG-CG 4.15Å; F661-K663 PolarHBondContact O-N 2.95Å
664	L	88.8	Confident	79	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.172	C	C	.	.			trans	-113	150.6	172.6	-70.7	169.7	0	0	0	111.4	V475 L533 L553 P554 Q631 F632 I634	V475-L664 HydrophobicContact CG1-CD1 4.43Å; L533-L664 HydrophobicContact CD1-CD2 4.07Å; L533-L664 HydrophobicContact CD2-CD2 3.67Å; L533-L664 HydrophobicContact CG-CD2 4.42Å; L553-L664 HydrophobicContact CD2-CB 4.23Å; L553-L664 HydrophobicContact CD2-CD1 3.89Å; P554-L664 WeakPolarHBondContact CG-O 3.24Å; Q631-L664 HydrophobicContact CG-CD1 3.72Å; F632-L664 PolarHBondContact O-N 3.1Å; I634-L664 HydrophobicContact CD1-CD1 4.01Å; I634-L664 HydrophobicContact CD1-CD2 3.95Å; I634-L664 HydrophobicContact CD1-CG 4.28Å; I634-L664 HydrophobicContact CG1-CD1 3.57Å; I634-L664 HydrophobicContact CG1-CD2 4.24Å; I634-L664 HydrophobicContact CG1-CG 4.01Å
665	E	81	Confident	79	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.042	18%	0.176	C	C	.	.			trans	-136	161.4	171.3	-63.4	-175.3	-173.8	0	0	110.5	R83 P554 S556 D667 D668	R83-E665 WeakPolarHBondContact CB-OE1 3.31Å; R83-E665 WeakPolarHBondContact CB-OE2 3.07Å; R83-E665 WeakPolarHBondContact CD-OE1 3.4Å; R83-E665 WeakPolarHBondContact CD-OE2 3.42Å; R83-E665 WeakPolarHBondContact CG-OE1 3.3Å; R83-E665 IonicContact NE-OE1 3.86Å; P554-E665 CarbonylContact O-C 3.57Å; P554-E665 WeakPolarHBondContact O-CA 3.44Å; S556-E665 WeakPolarHBondContact CA-OE2 3.5Å; S556-E665 VanDerWaalsContact CB-OE2 3.23Å; S556-E665 WeakPolarHBondContact CB-OE2 3.45Å; E665-D667 VanDerWaalsContact C-N 3.3Å; E665-D667 WeakPolarHBondContact CB-OD1 3.38Å; E665-D667 PolarHBondContact O-N 3.08Å; E665-D668 PolarHBondContact N-OD2 3.45Å; E665-D668 WeakPolarHBondContact O-CB 3.5Å; E665-D668 PolarHBondContact O-N 2.94Å; E665-D668 VanDerWaalsContact O-N 3.15Å
666	D	74.7	Confident	78.5	Confident	53 Å²	53	33.9 Å²	33.9	28%	0.283	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.7	-170.6	60.4	-32.1	0	0	0	114.4	L553 P554 Y555 S556	L553-D666 HydrophobicContact CB-CB 4.44Å; P554-D666 WeakPolarHBondContact O-CB 3.37Å; P554-D666 PolarHBondContact O-N 3.33Å; Y555-D666 WeakPolarHBondContact CA-OD1 3.3Å; Y555-D666 WeakPolarHBondContact CD1-OD2 3.13Å; S556-D666 PolarHBondContact N-OD1 3.17Å; S556-D666 PolarHBondContact OG-OD1 3.25Å
667	D	75.5	Confident	77	Confident	49 Å²	49	31 Å²	31	26%	0.262	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.1	174.8	62.1	-38.7	0	0	0	113.4	S556 E665 V669 A670 R671	S556-D667 PolarHBondContact OG-OD1 2.98Å; E665-D667 VanDerWaalsContact C-N 3.3Å; E665-D667 WeakPolarHBondContact CB-OD1 3.38Å; E665-D667 PolarHBondContact O-N 3.08Å; D667-V669 PolarHBondContact O-N 3.36Å; D667-A670 PolarHBondContact O-N 3.33Å; D667-R671 WeakPolarHBondContact O-CB 3.14Å; D667-R671 PolarHBondContact O-N 3.29Å
668	D	74.6	Confident	74.9	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-48.5	-173.6	-82.3	-30.5	0	0	0	112.4	R83 L533 E665 A670 R671 I672	R83-D668 IonicContact CZ-OD1 3.67Å; R83-D668 IonicContact CZ-OD2 3.44Å; R83-D668 VanDerWaalsContact NH1-CG 3.33Å; R83-D668 IonicContact NH1-OD1 3.69Å; R83-D668 PolarHBondContact NH1-OD1 3.43Å; R83-D668 IonicContact NH1-OD2 3.49Å; R83-D668 PolarHBondContact NH1-OD2 3.49Å; R83-D668 IonicContact NH2-OD2 3.75Å; L533-D668 HydrophobicContact CD2-CB 3.82Å; E665-D668 PolarHBondContact N-OD2 3.45Å; E665-D668 WeakPolarHBondContact O-CB 3.5Å; E665-D668 PolarHBondContact O-N 2.94Å; E665-D668 VanDerWaalsContact O-N 3.15Å; D668-A670 PolarHBondContact O-N 3.27Å; D668-R671 PolarHBondContact O-N 3.28Å; D668-R671 IonicContact OD1-CZ 2.83Å; D668-R671 IonicContact OD1-NE 3.87Å; D668-R671 IonicContact OD1-NH2 3.69Å; D668-R671 PolarHBondContact OD1-NH2 3.3Å; D668-I672 WeakPolarHBondContact O-CB 3.31Å; D668-I672 WeakPolarHBondContact O-CG1 3.14Å; D668-I672 PolarHBondContact O-N 2.86Å
669	V	72	Confident	72.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.8	-177.5	178.9	0	0	0	0	111.4	Y463 V475 V535 L553 D667 Q673	Y463-V669 HydrophobicContact CD1-CB 4.21Å; Y463-V669 HydrophobicContact CD1-CG1 3.68Å; Y463-V669 HydrophobicContact CD1-CG2 4.16Å; Y463-V669 HydrophobicContact CD2-CG2 4.09Å; Y463-V669 HydrophobicContact CE1-CB 4.03Å; Y463-V669 HydrophobicContact CE1-CG1 3.76Å; Y463-V669 HydrophobicContact CE1-CG2 4.3Å; Y463-V669 HydrophobicContact CE2-CG2 4.26Å; Y463-V669 HydrophobicContact CG-CG1 4.32Å; Y463-V669 HydrophobicContact CG-CG2 4.03Å; V475-V669 HydrophobicContact CG2-CG2 3.79Å; V535-V669 HydrophobicContact CG1-CG1 4.26Å; V535-V669 HydrophobicContact CG2-CG1 4.18Å; L553-V669 HydrophobicContact CD1-CG2 3.69Å; D667-V669 PolarHBondContact O-N 3.36Å; V669-Q673 WeakPolarHBondContact O-CG 3.39Å; V669-Q673 PolarHBondContact O-N 2.72Å
670	A	74.1	Confident	69.5	Low	55 Å²	55	50.1 Å²	50.1	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-44	178.7	0	0	0	0	0	111.5	D667 D668 I672 Q673 T674	D667-A670 PolarHBondContact O-N 3.33Å; D668-A670 PolarHBondContact O-N 3.27Å; A670-I672 PolarHBondContact O-N 2.87Å; A670-Q673 PolarHBondContact O-N 3.24Å; A670-T674 WeakPolarHBondContact O-CG2 3.23Å; A670-T674 PolarHBondContact O-N 2.93Å; A670-T674 VanDerWaalsContact O-N 3.11Å; A670-T674 PolarHBondContact O-OG1 3.19Å
671	R	71.7	Confident	68.3	Low	99 Å²	99	52.5 Å²	52.5	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-43	-179.1	-176.1	175.6	62.4	162.4	-1.9	112	D667 D668 Q673 T674 L675	D667-R671 WeakPolarHBondContact O-CB 3.14Å; D667-R671 PolarHBondContact O-N 3.29Å; D668-R671 PolarHBondContact O-N 3.28Å; D668-R671 IonicContact OD1-CZ 2.83Å; D668-R671 IonicContact OD1-NE 3.87Å; D668-R671 IonicContact OD1-NH2 3.69Å; D668-R671 PolarHBondContact OD1-NH2 3.3Å; R671-Q673 VanDerWaalsContact C-N 3.33Å; R671-Q673 PolarHBondContact O-N 3.03Å; R671-T674 WeakPolarHBondContact CA-OG1 3.43Å; R671-T674 PolarHBondContact O-N 3.42Å; R671-T674 VanDerWaalsContact O-N 3.13Å; R671-T674 PolarHBondContact O-OG1 2.86Å; R671-L675 HydrophobicContact CG-CD1 4.13Å; R671-L675 HydrophobicContact CG-CG 4.39Å; R671-L675 WeakPolarHBondContact O-CG 3.32Å; R671-L675 PolarHBondContact O-N 3Å
672	I	67.8	Low	67	Low	4 Å²	4	55.3 Å²	55.3	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-43.9	179.8	-71.2	-177.4	0	0	0	111.2	F517 T519 L533 V535 D668 A670 T674 L675	F517-I672 HydrophobicContact CB-CG2 3.64Å; T519-I672 VanDerWaalsContact OG1-CG1 3.25Å; T519-I672 WeakPolarHBondContact OG1-CG1 3.49Å; T519-I672 WeakPolarHBondContact OG1-CG2 3.46Å; L533-I672 HydrophobicContact CB-CD1 3.77Å; L533-I672 HydrophobicContact CD2-CD1 3.27Å; L533-I672 HydrophobicContact CG-CD1 3.36Å; V535-I672 HydrophobicContact CG2-CG2 4.22Å; D668-I672 WeakPolarHBondContact O-CB 3.31Å; D668-I672 WeakPolarHBondContact O-CG1 3.14Å; D668-I672 PolarHBondContact O-N 2.86Å; A670-I672 PolarHBondContact O-N 2.87Å; I672-T674 VanDerWaalsContact C-N 3.29Å; I672-T674 PolarHBondContact O-N 3.08Å; I672-L675 PolarHBondContact O-N 3.23Å
673	Q	67.2	Low	65.7	Low	36 Å²	36	58.1 Å²	58.1	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-34.8	176.3	-67.5	174.4	-24.8	0	0	112.1	E473 F517 V669 A670 R671 T677	E473-Q673 PolarHBondContact OE1-NE2 3Å; F517-Q673 HydrophobicContact CD2-CG 4.26Å; F517-Q673 HydrophobicContact CE2-CG 4.49Å; F517-Q673 HydrophobicContact CG-CG 4.47Å; V669-Q673 WeakPolarHBondContact O-CG 3.39Å; V669-Q673 PolarHBondContact O-N 2.72Å; A670-Q673 PolarHBondContact O-N 3.24Å; R671-Q673 VanDerWaalsContact C-N 3.33Å; R671-Q673 PolarHBondContact O-N 3.03Å; Q673-T677 PolarHBondContact O-N 2.99Å; Q673-T677 PolarHBondContact O-OG1 3.44Å
674	T	66.5	Low	64.3	Low	72 Å²	72	60.9 Å²	60.9	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-75.7	-29	178.1	58	0	0	0	0	114.9	A670 R671 I672 T677 N678	A670-T674 WeakPolarHBondContact O-CG2 3.23Å; A670-T674 PolarHBondContact O-N 2.93Å; A670-T674 VanDerWaalsContact O-N 3.11Å; A670-T674 PolarHBondContact O-OG1 3.19Å; R671-T674 WeakPolarHBondContact CA-OG1 3.43Å; R671-T674 PolarHBondContact O-N 3.42Å; R671-T674 VanDerWaalsContact O-N 3.13Å; R671-T674 PolarHBondContact O-OG1 2.86Å; I672-T674 VanDerWaalsContact C-N 3.29Å; I672-T674 PolarHBondContact O-N 3.08Å; T674-T677 VanDerWaalsContact CA-OG1 3.29Å; T674-T677 WeakPolarHBondContact CA-OG1 2.98Å; T674-T677 PolarHBondContact O-OG1 3Å; T674-N678 PolarHBondContact O-N 3.13Å; T674-N678 PolarHBondContact O-ND2 3.11Å
675	L	58	Low	62.8	Low	87 Å²	87	64.6 Å²	64.6	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-38.5	-177.9	-76.5	168.4	0	0	0	111.8	T519 R671 I672 S679	T519-L675 HydrophobicContact CG2-CD1 4.45Å; R671-L675 HydrophobicContact CG-CD1 4.13Å; R671-L675 HydrophobicContact CG-CG 4.39Å; R671-L675 WeakPolarHBondContact O-CG 3.32Å; R671-L675 PolarHBondContact O-N 3Å; I672-L675 PolarHBondContact O-N 3.23Å; L675-S679 PolarHBondContact O-OG 3.04Å
676	E	55.1	Low	61.5	Low	54 Å²	54	68.3 Å²	68.3	25%	0.252	39%	0.389	S	S	.	.	H	α-helix	trans	-82.5	-27.9	179.4	-70.9	-172.9	-175	0	0	112.9	F517 A518 N678 S679	F517-E676 WeakPolarHBondContact CA-OE2 3.39Å; F517-E676 HydrophobicContact CD1-CB 4.08Å; F517-E676 WeakPolarHBondContact CD1-OE2 3.44Å; A518-E676 PolarHBondContact N-OE1 3.36Å; E676-N678 VanDerWaalsContact C-N 3.26Å; E676-N678 PolarHBondContact O-N 3.1Å; E676-S679 PolarHBondContact O-N 3.35Å; E676-S679 VanDerWaalsContact O-N 3.15Å
677	T	52.2	Low	60.6	Low	90 Å²	90	69.4 Å²	69.4	55%	0.552	40%	0.397	S	S	*	.	H	α-helix	trans	-69.4	-21.9	174.2	28.7	0	0	0	0	113.7	Q673 T674	Q673-T677 PolarHBondContact O-N 2.99Å; Q673-T677 PolarHBondContact O-OG1 3.44Å; T674-T677 VanDerWaalsContact CA-OG1 3.29Å; T674-T677 WeakPolarHBondContact CA-OG1 2.98Å; T674-T677 PolarHBondContact O-OG1 3Å
678	N	43	Very low	59.5	Low	137 Å²	137	71 Å²	71	73%	0.733	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	3.1	173.4	-66.8	-57.2	0	0	0	113.2	T674 E676	T674-N678 PolarHBondContact O-N 3.13Å; T674-N678 PolarHBondContact O-ND2 3.11Å; E676-N678 VanDerWaalsContact C-N 3.26Å; E676-N678 PolarHBondContact O-N 3.1Å
679	S	39.5	Very low	58.2	Low	100 Å²	100	76.8 Å²	76.8	70%	0.699	44%	0.44	S	S	*	.			trans	-106.7	9.6	177.7	-57.2	0	0	0	0	112.9	L675 E676	L675-S679 PolarHBondContact O-OG 3.04Å; E676-S679 PolarHBondContact O-N 3.35Å; E676-S679 VanDerWaalsContact O-N 3.15Å
680	V	31.1	Very low	56.9	Low	186 Å²	186	83.6 Å²	83.6	100%	1.127	48%	0.48	S	S	*	.			trans	-116	0	167.6	-175.6	0	0	0	0	107.1

Retrieved 680 of 680 residues in 570.3 ms (Link to these results)

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