A0A3Q0KJA1_SCHMA Loading...

DNA replication licensing factor MCM6

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A3Q0KJA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 806 aa.

						>A0A3Q0KJA1_SCHMA|A0A3Q0KJA1
MDVAQTQVRTIRVVDVVADECQRLFHHFLETFKENDVLKYVEAANGLKQLEKNTLSVTFTDIIVSDTRLSGLIQDEFYRLYPALCAATKNFVNDHVPDTQNSGRDFYVSFTDVPSLHRMRDLTASQLGRLIKVRAQVVRAHPIHPELLMGTFRCSECKIVIRNVEQPFKYTQPTVCFNPQCGNRLKFELLTNESKFVDFQKVRVQETQSELPRGSIPRNLEVILRADTVDLAQPGDRCEFIGTLIVIPDVGQLATPGDRSLEGKPLRGRDNQEIGGVTGLKALGVRELSYRTAFLACTVIPSNGRYLPSDELEESDAISYEALSKRLTPSELDTICQMSQDRKLLTNMCKSLFPTIHGADEVKKGILLMLCGGVPKITEEKTHLRGDLNVCLVGDPSTAKSQFLKHVERFSPRAVYTSGKASSAAGLTAAVVRDEESFEFVIEAGALMLADNGVCCIDEFDKMDLKDQVAIHEAMEQQTISITKAGVKATLNARTSILAAANPIGGRYDRSKSLRHNIGLSAPIISRFDLFFVLIDECNDIVDYAIARSIVDLHMGRHGSEDTHTIYSVDNIRRYIAFARCFKPKISGEAMECMVEEYKKMRQRDASSGTKSAWRITVRQLESLVRLSEATARLHCADTVTKVHVQEAFALLNKSIIRVEQPDINLEEEDQHQLTDASETPVIDQPTTETNTTAGHLRVTYDEYRRIASLLILKARNWCETSATDSESDQTPGAPKRSELVNWYLEEVVDEFETEAQLAEVKLLVERIIDRLIKKDNILITIGGTGLDASADTADPYIVVHPNYVE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37	Very low	43.2	Very low	224 Å²	224	149.1 Å²	149.1	100%	1.103	79%	0.792	S	S	*	*				0	80.3	0	-81.3	-140.2	-115.8	0	0	106.6	V3	M1-V3 PolarHBondContact O-N 3.46Å
2	D	37.4	Very low	45.1	Very low	166 Å²	166	153.7 Å²	153.7	89%	0.888	79%	0.79	S	S	*	*			trans	-97.7	75.5	-172.8	-64.1	-37.3	0	0	0	110.3
3	V	43.4	Very low	47.7	Very low	122 Å²	122	152.7 Å²	152.7	74%	0.739	80%	0.795	S	S	*	*			trans	-109.1	43.4	-179.4	-161.6	0	0	0	0	110.8	M1	M1-V3 PolarHBondContact O-N 3.46Å
4	A	42.6	Very low	49.5	Very low	92 Å²	92	148.6 Å²	148.6	76%	0.76	78%	0.779	S	S	*	*			trans	-126.4	58.7	-174.7	0	0	0	0	0	112.2
5	Q	41.7	Very low	51.6	Low	182 Å²	182	142.3 Å²	142.3	85%	0.85	75%	0.747	S	S	*	*			trans	-159.9	30.5	165.4	-112.7	172.3	46.4	0	0	113.5	Q7	Q5-Q7 PolarHBondContact O-N 2.8Å
6	T	36	Very low	53.7	Low	122 Å²	122	139.9 Å²	139.9	75%	0.748	74%	0.74	S	S	*	*			trans	-72.3	86.8	169	-20.4	0	0	0	0	108	V8	T6-V8 PolarHBondContact O-N 3.07Å
7	Q	44.5	Very low	55.7	Low	146 Å²	146	134.6 Å²	134.6	68%	0.682	71%	0.714	S	S	*	*			trans	-52.5	105.8	168.6	-70.9	178	-10.2	0	0	107.6	Q5 R9	Q5-Q7 PolarHBondContact O-N 2.8Å; Q7-R9 HydrophobicContact CB-CG 4.39Å; Q7-R9 PolarHBondContact O-N 3.08Å
8	V	42.2	Very low	57.4	Low	113 Å²	113	127.7 Å²	127.7	69%	0.685	68%	0.679	S	S	*	*			trans	-66	87.3	160.6	-179.7	0	0	0	0	105	T6 T10	T6-V8 PolarHBondContact O-N 3.07Å; V8-T10 HydrophobicContact CG1-CG2 4.45Å; V8-T10 PolarHBondContact O-N 3.3Å
9	R	42.1	Very low	58.9	Low	205 Å²	205	125.2 Å²	125.2	77%	0.774	67%	0.666	S	S	*	*			trans	-65.6	82.7	168.6	-77.3	-177.1	174.1	-176	-3.9	106.7	Q7 I11	Q7-R9 HydrophobicContact CB-CG 4.39Å; Q7-R9 PolarHBondContact O-N 3.08Å; R9-I11 PolarHBondContact O-N 3.48Å
10	T	52.5	Low	60.4	Low	104 Å²	104	124.1 Å²	124.1	64%	0.638	66%	0.656	S	S	*	*			trans	-56.2	111.6	153	49.2	0	0	0	0	105.2	V8 R12	V8-T10 HydrophobicContact CG1-CG2 4.45Å; V8-T10 PolarHBondContact O-N 3.3Å; T10-R12 VanDerWaalsContact C-N 3.31Å; T10-R12 PolarHBondContact O-N 2.89Å
11	I	55.5	Low	61.7	Low	164 Å²	164	118.2 Å²	118.2	84%	0.841	63%	0.625	S	S	*	*			trans	-58.4	101.5	174.4	-60.4	169.7	0	0	0	105.4	R9	R9-I11 PolarHBondContact O-N 3.48Å
12	R	66.1	Low	64.1	Low	204 Å²	204	109.7 Å²	109.7	77%	0.77	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-69.3	136.3	170.2	-69.1	-175.5	177.3	-169.7	-2.8	106.2	T10 V14	T10-R12 VanDerWaalsContact C-N 3.31Å; T10-R12 PolarHBondContact O-N 2.89Å; R12-V14 PolarHBondContact O-N 3.29Å
13	V	78.7	Confident	66.6	Low	141 Å²	141	109.7 Å²	109.7	86%	0.855	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.3	120.9	170.6	179	0	0	0	0	106.6	D15	V13-D15 PolarHBondContact O-N 3.48Å
14	V	73.5	Confident	68.8	Low	95 Å²	95	105.7 Å²	105.7	58%	0.576	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-72.1	125.9	178.9	-178.3	0	0	0	0	107.8	R12 V16 D19	R12-V14 PolarHBondContact O-N 3.29Å; V14-V16 PolarHBondContact O-N 3.04Å; V14-D19 WeakPolarHBondContact CG1-OD2 3.39Å
15	D	80.3	Confident	71	Confident	55 Å²	55	101.3 Å²	101.3	29%	0.294	51%	0.509	S	S	.	.			trans	-82.7	93.9	176.2	-165.7	-12.4	0	0	0	109.2	V13 V17 A18 D19 R79	V13-D15 PolarHBondContact O-N 3.48Å; D15-V17 PolarHBondContact O-N 3.12Å; D15-V17 PolarHBondContact OD1-N 3.06Å; D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 PolarHBondContact O-N 3.4Å; D15-A18 VanDerWaalsContact O-N 3.13Å; D15-D19 PolarHBondContact O-N 3.16Å; D15-R79 IonicContact OD1-CZ 3.08Å; D15-R79 IonicContact OD1-NE 3.27Å; D15-R79 IonicContact OD1-NH2 3.88Å; D15-R79 PolarHBondContact OD1-NH2 3.38Å; D15-R79 IonicContact OD2-CZ 2.72Å; D15-R79 IonicContact OD2-NE 2.88Å; D15-R79 PolarHBondContact OD2-NE 2.91Å; D15-R79 IonicContact OD2-NH2 2.96Å; D15-R79 PolarHBondContact OD2-NH2 2.74Å
16	V	86.4	Confident	73.2	Confident	104 Å²	104	94.6 Å²	94.6	63%	0.63	48%	0.477	S	S	*	.	H	α-helix	trans	-56	-37.9	-174.5	-178.3	0	0	0	0	111.9	V14 E20	V14-V16 PolarHBondContact O-N 3.04Å; V16-E20 WeakPolarHBondContact O-CB 3.37Å; V16-E20 PolarHBondContact O-N 2.85Å
17	V	87	Confident	75.7	Confident	49 Å²	49	93.7 Å²	93.7	30%	0.297	46%	0.464	S	S	.	.	H	α-helix	trans	-71.2	-39.5	-178.1	-177	0	0	0	0	110.7	D15 C21 L80	D15-V17 PolarHBondContact O-N 3.12Å; D15-V17 PolarHBondContact OD1-N 3.06Å; V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.47Å; V17-C21 PolarHBondContact O-N 2.79Å; V17-L80 HydrophobicContact CG1-CD2 4.39Å
18	A	85.6	Confident	77.8	Confident	11 Å²	11	87 Å²	87	9%	0.091	43%	0.433	C	S	.	.	H	α-helix	trans	-67	-43	178.5	0	0	0	0	0	111.5	D15 C21 Q22 L80 A83	D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 PolarHBondContact O-N 3.4Å; D15-A18 VanDerWaalsContact O-N 3.13Å; A18-C21 PolarHBondContact O-N 3.49Å; A18-Q22 WeakPolarHBondContact O-CB 3.23Å; A18-Q22 PolarHBondContact O-N 2.74Å; A18-L80 HydrophobicContact CB-CD2 4.25Å; A18-A83 HydrophobicContact CB-CB 4.1Å
19	D	87	Confident	79.9	Confident	80 Å²	80	81.7 Å²	81.7	43%	0.428	40%	0.4	S	S	.	.	H	α-helix	trans	-66.8	-40.2	177.3	-73.7	-5	0	0	0	111.7	V14 D15 Q22 R23	V14-D19 WeakPolarHBondContact CG1-OD2 3.39Å; D15-D19 PolarHBondContact O-N 3.16Å; D19-Q22 PolarHBondContact O-N 3.16Å; D19-R23 PolarHBondContact O-N 3.06Å
20	E	87.9	Confident	81.8	Confident	102 Å²	102	75.7 Å²	75.7	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-47.1	174.4	-175.4	172.9	-165.3	0	0	110.9	V16 Q22 R23 L24	V16-E20 WeakPolarHBondContact O-CB 3.37Å; V16-E20 PolarHBondContact O-N 2.85Å; E20-Q22 VanDerWaalsContact C-N 3.33Å; E20-Q22 PolarHBondContact O-N 2.96Å; E20-R23 PolarHBondContact O-N 2.82Å; E20-L24 HydrophobicContact CG-CD1 3.98Å; E20-L24 HydrophobicContact CG-CG 4.4Å; E20-L24 WeakPolarHBondContact O-CB 3.47Å; E20-L24 VanDerWaalsContact O-CG 3.29Å; E20-L24 WeakPolarHBondContact O-CG 3.47Å; E20-L24 PolarHBondContact O-N 2.91Å
21	C	87.9	Confident	83.3	Confident	1 Å²	1	74 Å²	74	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-41.5	175.4	-173.5	0	0	0	0	111.8	V17 A18 R23 L24 F25 L69 L80	V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.47Å; V17-C21 PolarHBondContact O-N 2.79Å; A18-C21 PolarHBondContact O-N 3.49Å; C21-R23 PolarHBondContact O-N 3.4Å; C21-L24 PolarHBondContact O-N 3.15Å; C21-F25 WeakPolarHBondContact O-CB 3.37Å; C21-F25 PolarHBondContact O-N 3.32Å; C21-L69 VanDerWaalsContact SG-CD1 3.56Å; C21-L80 HydrophobicContact CB-CD2 3.99Å
22	Q	89	Confident	84.5	Confident	45 Å²	45	67.6 Å²	67.6	21%	0.21	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-46.1	177.2	-171.7	-174.9	-5.2	0	0	111.1	A18 D19 E20 H26 A83 A87 N90	A18-Q22 WeakPolarHBondContact O-CB 3.23Å; A18-Q22 PolarHBondContact O-N 2.74Å; D19-Q22 PolarHBondContact O-N 3.16Å; E20-Q22 VanDerWaalsContact C-N 3.33Å; E20-Q22 PolarHBondContact O-N 2.96Å; Q22-H26 VanDerWaalsContact O-CB 3.3Å; Q22-H26 WeakPolarHBondContact O-CB 3.4Å; Q22-H26 PolarHBondContact O-N 3Å; Q22-A83 HydrophobicContact CB-CB 4.41Å; Q22-A87 HydrophobicContact CG-CB 3.72Å; Q22-N90 PolarHBondContact NE2-ND2 3.16Å
23	R	89.5	Confident	84.9	Confident	167 Å²	167	63.9 Å²	63.9	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-67.3	-44.9	179.6	-171.7	-176.4	67.7	89.7	3.6	112	D19 E20 C21 H27	D19-R23 PolarHBondContact O-N 3.06Å; E20-R23 PolarHBondContact O-N 2.82Å; C21-R23 PolarHBondContact O-N 3.4Å; R23-H27 WeakPolarHBondContact O-CB 3.39Å; R23-H27 PolarHBondContact O-N 3.35Å
24	L	88.9	Confident	84.4	Confident	38 Å²	38	61.4 Å²	61.4	20%	0.199	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-43.2	178	-71.2	174.3	0	0	0	111.2	E20 C21 H27 F28 L69	E20-L24 HydrophobicContact CG-CD1 3.98Å; E20-L24 HydrophobicContact CG-CG 4.4Å; E20-L24 WeakPolarHBondContact O-CB 3.47Å; E20-L24 VanDerWaalsContact O-CG 3.29Å; E20-L24 WeakPolarHBondContact O-CG 3.47Å; E20-L24 PolarHBondContact O-N 2.91Å; C21-L24 PolarHBondContact O-N 3.15Å; L24-H27 PolarHBondContact O-N 2.9Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 2.81Å; L24-L69 HydrophobicContact CB-CD1 4.23Å; L24-L69 HydrophobicContact CB-CD2 4.46Å
25	F	89.1	Confident	83.9	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-41.3	179.3	-172.5	-102.6	0	0	0	112.4	C21 H27 F28 L29 V57 I62 L69 I73 L84 A87 T88 V108	C21-F25 WeakPolarHBondContact O-CB 3.37Å; C21-F25 PolarHBondContact O-N 3.32Å; F25-H27 VanDerWaalsContact C-N 3.35Å; F25-H27 PolarHBondContact O-N 2.95Å; F25-F28 HydrophobicContact CD2-CD1 4.24Å; F25-F28 HydrophobicContact CE2-CD1 4.22Å; F25-F28 WeakPolarHBondContact O-CB 3.13Å; F25-F28 PolarHBondContact O-N 3.39Å; F25-L29 HydrophobicContact CD1-CD1 4Å; F25-L29 HydrophobicContact CD1-CG 4.42Å; F25-L29 HydrophobicContact CE1-CD1 3.65Å; F25-L29 HydrophobicContact CE1-CD2 4.47Å; F25-L29 HydrophobicContact CE1-CG 4.15Å; F25-L29 HydrophobicContact CZ-CD1 4.32Å; F25-L29 HydrophobicContact CZ-CD2 4.34Å; F25-L29 HydrophobicContact CZ-CG 4.43Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.24Å; F25-V57 HydrophobicContact CZ-CG2 4.31Å; F25-I62 HydrophobicContact CE2-CD1 4.27Å; F25-L69 HydrophobicContact CB-CD2 4.44Å; F25-L69 HydrophobicContact CD2-CD2 4.31Å; F25-I73 HydrophobicContact CD2-CD1 4.45Å; F25-L84 HydrophobicContact CB-CD2 3.9Å; F25-L84 HydrophobicContact CD1-CD2 3.87Å; F25-L84 HydrophobicContact CD2-CD2 3.79Å; F25-L84 HydrophobicContact CE1-CD2 4.31Å; F25-L84 HydrophobicContact CE2-CD2 4.26Å; F25-L84 HydrophobicContact CG-CD2 3.57Å; F25-L84 HydrophobicContact CZ-CD2 4.5Å; F25-A87 HydrophobicContact CD1-CB 3.73Å; F25-T88 HydrophobicContact CE1-CG2 3.77Å; F25-V108 HydrophobicContact CZ-CG1 4.18Å
26	H	88.4	Confident	83.1	Confident	40 Å²	40	68.3 Å²	68.3	19%	0.185	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-44.7	173.4	179	74.3	0	0	0	111.5	Q22 F28 L29 E30 A87 D94	Q22-H26 VanDerWaalsContact O-CB 3.3Å; Q22-H26 WeakPolarHBondContact O-CB 3.4Å; Q22-H26 PolarHBondContact O-N 3Å; H26-F28 VanDerWaalsContact C-N 3.32Å; H26-F28 PolarHBondContact O-N 3.19Å; H26-L29 PolarHBondContact O-N 3.42Å; H26-E30 IonicContact CE1-OE1 3.58Å; H26-E30 IonicContact NE2-OE1 2.68Å; H26-E30 PolarHBondContact O-N 3.16Å; H26-A87 HydrophobicContact CB-CB 4.38Å; H26-D94 IonicContact CE1-OD2 3.94Å; H26-D94 PolarHBondContact CE1-OD2 2.9Å; H26-D94 IonicContact NE2-OD2 3.54Å
27	H	88	Confident	82.5	Confident	103 Å²	103	66.5 Å²	66.5	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-37.7	175.3	-172.7	59.2	0	0	0	112.7	R23 L24 F25 E30 T31	R23-H27 WeakPolarHBondContact O-CB 3.39Å; R23-H27 PolarHBondContact O-N 3.35Å; L24-H27 PolarHBondContact O-N 2.9Å; F25-H27 VanDerWaalsContact C-N 3.35Å; F25-H27 PolarHBondContact O-N 2.95Å; H27-E30 PolarHBondContact O-N 3.38Å; H27-T31 WeakPolarHBondContact CE1-CG2 3.24Å; H27-T31 WeakPolarHBondContact O-CB 3.36Å; H27-T31 VanDerWaalsContact O-CG2 3.31Å; H27-T31 WeakPolarHBondContact O-CG2 3.37Å; H27-T31 PolarHBondContact O-N 3.38Å; H27-T31 PolarHBondContact O-OG1 3.3Å
28	F	88.3	Confident	82	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-45.2	174.2	162.6	-106.4	0	0	0	111.8	L24 F25 H26 E30 T31 F32 Y40 V57 D61 I62 S65	L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 2.81Å; F25-F28 HydrophobicContact CD2-CD1 4.24Å; F25-F28 HydrophobicContact CE2-CD1 4.22Å; F25-F28 WeakPolarHBondContact O-CB 3.13Å; F25-F28 PolarHBondContact O-N 3.39Å; H26-F28 VanDerWaalsContact C-N 3.32Å; H26-F28 PolarHBondContact O-N 3.19Å; F28-E30 VanDerWaalsContact C-N 3.29Å; F28-E30 PolarHBondContact O-N 3.06Å; F28-T31 PolarHBondContact O-N 3.22Å; F28-T31 PolarHBondContact O-OG1 2.93Å; F28-F32 HydrophobicContact CD2-CB 4.17Å; F28-F32 HydrophobicContact CD2-CD2 4.44Å; F28-F32 HydrophobicContact CE2-CB 3.85Å; F28-F32 AromaticContact CE2-CD2 3.67Å; F28-F32 HydrophobicContact CE2-CD2 3.67Å; F28-F32 HydrophobicContact CE2-CE2 4.44Å; F28-F32 AromaticContact CE2-CG 3.85Å; F28-F32 HydrophobicContact CE2-CG 3.85Å; F28-F32 HydrophobicContact CZ-CB 4.41Å; F28-F32 HydrophobicContact CZ-CD2 4.45Å; F28-F32 HydrophobicContact CZ-CG 4.34Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.34Å; F28-Y40 HydrophobicContact CE1-CE2 4.06Å; F28-Y40 AromaticContact CZ-CE2 3.78Å; F28-Y40 HydrophobicContact CZ-CE2 3.78Å; F28-V57 HydrophobicContact CE1-CG1 3.9Å; F28-D61 HydrophobicContact CE2-CB 4.42Å; F28-D61 WeakPolarHBondContact CE2-O 3.48Å; F28-D61 HydrophobicContact CZ-CB 4.01Å; F28-I62 HydrophobicContact CD1-CG1 4.33Å; F28-I62 HydrophobicContact CE1-CD1 4.44Å; F28-I62 HydrophobicContact CE1-CG1 3.63Å; F28-I62 HydrophobicContact CE2-CG1 4.39Å; F28-I62 HydrophobicContact CZ-CB 4.47Å; F28-I62 HydrophobicContact CZ-CG1 3.65Å; F28-S65 WeakPolarHBondContact CD2-OG 3.21Å; F28-S65 WeakPolarHBondContact CE2-OG 3.2Å
29	L	85.5	Confident	81.7	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-34.1	179.5	-68.7	174.3	0	0	0	112.9	F25 H26 Y40 L55 V57 T88 F91	F25-L29 HydrophobicContact CD1-CD1 4Å; F25-L29 HydrophobicContact CD1-CG 4.42Å; F25-L29 HydrophobicContact CE1-CD1 3.65Å; F25-L29 HydrophobicContact CE1-CD2 4.47Å; F25-L29 HydrophobicContact CE1-CG 4.15Å; F25-L29 HydrophobicContact CZ-CD1 4.32Å; F25-L29 HydrophobicContact CZ-CD2 4.34Å; F25-L29 HydrophobicContact CZ-CG 4.43Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.24Å; H26-L29 PolarHBondContact O-N 3.42Å; L29-Y40 HydrophobicContact CD2-CD1 4.35Å; L29-Y40 HydrophobicContact CD2-CD2 4.26Å; L29-Y40 HydrophobicContact CD2-CG 3.99Å; L29-L55 HydrophobicContact CD1-CD2 4.47Å; L29-L55 HydrophobicContact CD2-CD2 4.23Å; L29-V57 HydrophobicContact CD2-CG2 4.34Å; L29-T88 HydrophobicContact CD1-CG2 4.09Å; L29-F91 HydrophobicContact CB-CD1 4.3Å; L29-F91 HydrophobicContact CB-CD2 3.71Å; L29-F91 HydrophobicContact CB-CE1 4.23Å; L29-F91 HydrophobicContact CB-CE2 3.65Å; L29-F91 HydrophobicContact CB-CG 4.04Å; L29-F91 HydrophobicContact CB-CZ 3.91Å; L29-F91 HydrophobicContact CD1-CB 4.09Å; L29-F91 HydrophobicContact CD1-CD1 4.03Å; L29-F91 HydrophobicContact CD1-CD2 4.4Å; L29-F91 HydrophobicContact CD1-CG 3.92Å
30	E	84	Confident	81.5	Confident	80 Å²	80	65.8 Å²	65.8	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-78.1	-34.4	177.5	-67.3	-176.4	147.5	0	0	113.4	H26 H27 F28 F91	H26-E30 IonicContact CE1-OE1 3.58Å; H26-E30 IonicContact NE2-OE1 2.68Å; H26-E30 PolarHBondContact O-N 3.16Å; H27-E30 PolarHBondContact O-N 3.38Å; F28-E30 VanDerWaalsContact C-N 3.29Å; F28-E30 PolarHBondContact O-N 3.06Å; E30-F91 HydrophobicContact CG-CD2 3.99Å; E30-F91 HydrophobicContact CG-CE2 3.87Å
31	T	83.3	Confident	81.2	Confident	68 Å²	68	61.9 Å²	61.9	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-89.8	-29	-170.3	50	0	0	0	0	113.7	H27 F28 K33	H27-T31 WeakPolarHBondContact CE1-CG2 3.24Å; H27-T31 WeakPolarHBondContact O-CB 3.36Å; H27-T31 VanDerWaalsContact O-CG2 3.31Å; H27-T31 WeakPolarHBondContact O-CG2 3.37Å; H27-T31 PolarHBondContact O-N 3.38Å; H27-T31 PolarHBondContact O-OG1 3.3Å; F28-T31 PolarHBondContact O-N 3.22Å; F28-T31 PolarHBondContact O-OG1 2.93Å; T31-K33 PolarHBondContact O-N 3.29Å
32	F	80.1	Confident	80.9	Confident	30 Å²	30	67.8 Å²	67.8	13%	0.132	33%	0.328	C	S	.	.			trans	-70.2	118.2	-170.3	-169.5	-95.4	0	0	0	112.4	F28 E34 Y40 D61	F28-F32 HydrophobicContact CD2-CB 4.17Å; F28-F32 HydrophobicContact CD2-CD2 4.44Å; F28-F32 HydrophobicContact CE2-CB 3.85Å; F28-F32 AromaticContact CE2-CD2 3.67Å; F28-F32 HydrophobicContact CE2-CD2 3.67Å; F28-F32 HydrophobicContact CE2-CE2 4.44Å; F28-F32 AromaticContact CE2-CG 3.85Å; F28-F32 HydrophobicContact CE2-CG 3.85Å; F28-F32 HydrophobicContact CZ-CB 4.41Å; F28-F32 HydrophobicContact CZ-CD2 4.45Å; F28-F32 HydrophobicContact CZ-CG 4.34Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3.34Å; F32-E34 HydrophobicContact CE1-CB 4.43Å; F32-Y40 HydrophobicContact CB-CD2 4.19Å; F32-Y40 HydrophobicContact CB-CE2 4.15Å; F32-Y40 HydrophobicContact CD1-CD2 4.07Å; F32-Y40 AromaticContact CD1-CE2 3.52Å; F32-Y40 HydrophobicContact CD1-CE2 3.52Å; F32-Y40 HydrophobicContact CE1-CE2 4.22Å; F32-Y40 HydrophobicContact CG-CE2 4.03Å; F32-D61 HydrophobicContact CD1-CB 4.37Å; F32-D61 HydrophobicContact CD2-CB 4.38Å; F32-D61 HydrophobicContact CE1-CB 3.75Å; F32-D61 WeakPolarHBondContact CE1-OD2 3.38Å; F32-D61 HydrophobicContact CE2-CB 3.77Å; F32-D61 HydrophobicContact CZ-CB 3.41Å; F32-D61 VanDerWaalsContact CZ-CB 3.41Å; F32-D61 VanDerWaalsContact CZ-CG 3.41Å
33	K	74.2	Confident	80.4	Confident	126 Å²	126	67.3 Å²	67.3	55%	0.548	33%	0.332	S	S	.	.			trans	-117.8	128.5	177.9	-69.7	179.2	-179.6	-172.3	0	110.2	T31 L38	T31-K33 PolarHBondContact O-N 3.29Å; K33-L38 HydrophobicContact CD-CD2 4.43Å; K33-L38 HydrophobicContact CG-CD2 3.55Å; K33-L38 HydrophobicContact CG-CG 4.27Å
34	E	69.4	Low	79.9	Confident	88 Å²	88	59.4 Å²	59.4	41%	0.411	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-108.4	116.1	168.8	-165.8	174.8	174.8	0	0	107.2	F32 D36 V37 K39	F32-E34 HydrophobicContact CE1-CB 4.43Å; E34-D36 VanDerWaalsContact C-N 3.35Å; E34-D36 PolarHBondContact O-N 3.32Å; E34-V37 PolarHBondContact N-O 2.68Å; E34-V37 PolarHBondContact O-N 3.01Å; E34-K39 WeakPolarHBondContact OE2-CD 3.44Å; E34-K39 WeakPolarHBondContact OE2-CE 3.33Å; E34-K39 IonicContact OE2-NZ 3.62Å; E34-K39 PolarHBondContact OE2-NZ 3.09Å
35	N	62.6	Low	79.4	Confident	150 Å²	150	61.6 Å²	61.6	80%	0.802	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.7	-177.5	-56.6	-39.5	0	0	0	114.3	V37	N35-V37 PolarHBondContact O-N 3.18Å; N35-V37 VanDerWaalsContact O-N 3.13Å
36	D	63.9	Low	78.8	Confident	146 Å²	146	63.4 Å²	63.4	78%	0.781	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	1.4	-175.5	-69.3	-43.2	0	0	0	116.4	E34	E34-D36 VanDerWaalsContact C-N 3.35Å; E34-D36 PolarHBondContact O-N 3.32Å
37	V	73.9	Confident	78.1	Confident	65 Å²	65	62.2 Å²	62.2	39%	0.394	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-100.6	134.9	175.7	-177.2	0	0	0	0	110.6	E34 N35 K39 E42	E34-V37 PolarHBondContact N-O 2.68Å; E34-V37 PolarHBondContact O-N 3.01Å; N35-V37 PolarHBondContact O-N 3.18Å; N35-V37 VanDerWaalsContact O-N 3.13Å; V37-K39 PolarHBondContact O-N 3.07Å; V37-K39 VanDerWaalsContact O-N 3.09Å; V37-E42 HydrophobicContact CG1-CG 4.36Å; V37-E42 VanDerWaalsContact CG1-OE1 3.22Å; V37-E42 WeakPolarHBondContact CG1-OE1 3.39Å
38	L	76.2	Confident	77.2	Confident	57 Å²	57	63.7 Å²	63.7	30%	0.298	33%	0.333	S	S	.	.			trans	-81.7	83	175.2	-68.5	168.1	0	0	0	109.9	K33 Y40 V41 E42	K33-L38 HydrophobicContact CD-CD2 4.43Å; K33-L38 HydrophobicContact CG-CD2 3.55Å; K33-L38 HydrophobicContact CG-CG 4.27Å; L38-Y40 VanDerWaalsContact C-N 3.27Å; L38-Y40 PolarHBondContact O-N 2.98Å; L38-V41 HydrophobicContact CB-CB 3.81Å; L38-V41 HydrophobicContact CB-CG2 3.75Å; L38-V41 HydrophobicContact CD1-CG2 4.04Å; L38-V41 HydrophobicContact CG-CG2 4.4Å; L38-V41 PolarHBondContact O-N 2.8Å; L38-E42 PolarHBondContact O-N 2.84Å; L38-E42 VanDerWaalsContact O-N 3.08Å
39	K	79.7	Confident	76.2	Confident	67 Å²	67	69.9 Å²	69.9	29%	0.291	36%	0.362	S	S	.	.	H	α-helix	trans	-48.1	-45.4	-179.1	-177.1	-174	-167.6	167.1	0	113.6	E34 V37 E42 A43 D61	E34-K39 WeakPolarHBondContact OE2-CD 3.44Å; E34-K39 WeakPolarHBondContact OE2-CE 3.33Å; E34-K39 IonicContact OE2-NZ 3.62Å; E34-K39 PolarHBondContact OE2-NZ 3.09Å; V37-K39 PolarHBondContact O-N 3.07Å; V37-K39 VanDerWaalsContact O-N 3.09Å; K39-E42 PolarHBondContact O-N 3.34Å; K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 3.23Å; K39-D61 IonicContact NZ-OD2 2.91Å; K39-D61 PolarHBondContact NZ-OD2 3.04Å
40	Y	82.3	Confident	75.1	Confident	2 Å²	2	76 Å²	76	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-75	-26.8	-177.2	-63.2	-58.8	0	0	0	113.4	F28 L29 F32 L38 A44 V57 T58 D61	F28-Y40 HydrophobicContact CE1-CE2 4.06Å; F28-Y40 AromaticContact CZ-CE2 3.78Å; F28-Y40 HydrophobicContact CZ-CE2 3.78Å; L29-Y40 HydrophobicContact CD2-CD1 4.35Å; L29-Y40 HydrophobicContact CD2-CD2 4.26Å; L29-Y40 HydrophobicContact CD2-CG 3.99Å; F32-Y40 HydrophobicContact CB-CD2 4.19Å; F32-Y40 HydrophobicContact CB-CE2 4.15Å; F32-Y40 HydrophobicContact CD1-CD2 4.07Å; F32-Y40 AromaticContact CD1-CE2 3.52Å; F32-Y40 HydrophobicContact CD1-CE2 3.52Å; F32-Y40 HydrophobicContact CE1-CE2 4.22Å; F32-Y40 HydrophobicContact CG-CE2 4.03Å; L38-Y40 VanDerWaalsContact C-N 3.27Å; L38-Y40 PolarHBondContact O-N 2.98Å; Y40-A44 VanDerWaalsContact O-CB 3.28Å; Y40-A44 WeakPolarHBondContact O-CB 3.46Å; Y40-A44 PolarHBondContact O-N 3.39Å; Y40-V57 HydrophobicContact CD1-CG2 4.46Å; Y40-V57 HydrophobicContact CE1-CB 4.25Å; Y40-V57 HydrophobicContact CE1-CG1 4.04Å; Y40-V57 HydrophobicContact CE1-CG2 4.17Å; Y40-T58 PolarHBondContact OH-N 2.85Å; Y40-D61 WeakPolarHBondContact OH-CB 3.47Å; Y40-D61 PolarHBondContact OH-OD2 3.24Å
41	V	82.2	Confident	74.5	Confident	20 Å²	20	79.7 Å²	79.7	12%	0.121	41%	0.411	C	S	.	.	H	α-helix	trans	-73	-40.9	173.9	177.9	0	0	0	0	110.2	L38 A44 N45 F91	L38-V41 HydrophobicContact CB-CB 3.81Å; L38-V41 HydrophobicContact CB-CG2 3.75Å; L38-V41 HydrophobicContact CD1-CG2 4.04Å; L38-V41 HydrophobicContact CG-CG2 4.4Å; L38-V41 PolarHBondContact O-N 2.8Å; V41-A44 PolarHBondContact O-N 3.15Å; V41-N45 VanDerWaalsContact O-CG 3.3Å; V41-N45 PolarHBondContact O-N 2.93Å; V41-N45 PolarHBondContact O-ND2 2.91Å; V41-F91 HydrophobicContact CG2-CE2 4.5Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å
42	E	80	Confident	74	Confident	124 Å²	124	80.6 Å²	80.6	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-63.2	-43.1	172.5	-68.2	-171.7	167.5	0	0	111.8	V37 L38 K39 A44 N45 G46	V37-E42 HydrophobicContact CG1-CG 4.36Å; V37-E42 VanDerWaalsContact CG1-OE1 3.22Å; V37-E42 WeakPolarHBondContact CG1-OE1 3.39Å; L38-E42 PolarHBondContact O-N 2.84Å; L38-E42 VanDerWaalsContact O-N 3.08Å; K39-E42 PolarHBondContact O-N 3.34Å; E42-A44 VanDerWaalsContact C-N 3.33Å; E42-A44 PolarHBondContact O-N 3.49Å; E42-N45 WeakPolarHBondContact O-CB 3.5Å; E42-N45 PolarHBondContact O-N 3.27Å; E42-G46 PolarHBondContact O-N 3.19Å
43	A	79.2	Confident	74.1	Confident	36 Å²	36	81.3 Å²	81.3	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-60.5	-42.5	174.2	0	0	0	0	0	111.7	K39 G46 L47 L55	K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 3.23Å; A43-G46 WeakPolarHBondContact O-CA 2.99Å; A43-G46 PolarHBondContact O-N 2.96Å; A43-G46 VanDerWaalsContact O-N 3.13Å; A43-L47 PolarHBondContact O-N 3.46Å; A43-L55 HydrophobicContact CB-CD1 3.89Å
44	A	79.6	Confident	74.6	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-65.3	-36.4	175.4	0	0	0	0	0	112.7	Y40 V41 E42 G46 L47 F91	Y40-A44 VanDerWaalsContact O-CB 3.28Å; Y40-A44 WeakPolarHBondContact O-CB 3.46Å; Y40-A44 PolarHBondContact O-N 3.39Å; V41-A44 PolarHBondContact O-N 3.15Å; E42-A44 VanDerWaalsContact C-N 3.33Å; E42-A44 PolarHBondContact O-N 3.49Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.27Å; A44-L47 WeakPolarHBondContact O-CB 3.24Å; A44-L47 PolarHBondContact O-N 3.46Å; A44-F91 HydrophobicContact CB-CD1 4.49Å; A44-F91 HydrophobicContact CB-CE1 3.93Å
45	N	78.7	Confident	75.5	Confident	85 Å²	85	72.8 Å²	72.8	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-34.1	171.8	-73.5	-31.5	0	0	0	111.7	V41 E42 L47 K48	V41-N45 VanDerWaalsContact O-CG 3.3Å; V41-N45 PolarHBondContact O-N 2.93Å; V41-N45 PolarHBondContact O-ND2 2.91Å; E42-N45 WeakPolarHBondContact O-CB 3.5Å; E42-N45 PolarHBondContact O-N 3.27Å; N45-L47 VanDerWaalsContact C-N 3.28Å; N45-L47 PolarHBondContact O-N 3.5Å; N45-K48 WeakPolarHBondContact O-CB 3.06Å; N45-K48 PolarHBondContact O-N 3.43Å; N45-K48 VanDerWaalsContact O-N 3.14Å
46	G	75.1	Confident	76.6	Confident	37 Å²	37	68.8 Å²	68.8	38%	0.381	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-33.2	172.3	0	0	0	0	0	113.4	E42 A43 A44 K48 Q49	E42-G46 PolarHBondContact O-N 3.19Å; A43-G46 WeakPolarHBondContact O-CA 2.99Å; A43-G46 PolarHBondContact O-N 2.96Å; A43-G46 VanDerWaalsContact O-N 3.13Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.27Å; G46-K48 PolarHBondContact O-N 3.22Å; G46-Q49 PolarHBondContact O-N 3.24Å; G46-Q49 VanDerWaalsContact O-N 3.17Å
47	L	75.2	Confident	77.7	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-5.3	174.5	-60.4	174.6	0	0	0	113.6	A43 A44 N45 Q49 K52 T54 L55 V92 F106	A43-L47 PolarHBondContact O-N 3.46Å; A44-L47 WeakPolarHBondContact O-CB 3.24Å; A44-L47 PolarHBondContact O-N 3.46Å; N45-L47 VanDerWaalsContact C-N 3.28Å; N45-L47 PolarHBondContact O-N 3.5Å; L47-Q49 PolarHBondContact O-N 2.98Å; L47-K52 HydrophobicContact CD2-CB 3.92Å; L47-T54 WeakPolarHBondContact CD2-O 3.21Å; L47-L55 HydrophobicContact CD1-CB 4.26Å; L47-L55 HydrophobicContact CD1-CD1 4.07Å; L47-V92 HydrophobicContact CD1-CG2 4.33Å; L47-F106 HydrophobicContact CD1-CD1 4.32Å; L47-F106 HydrophobicContact CD1-CE1 4.45Å
48	K	68.3	Low	78.3	Confident	134 Å²	134	59.6 Å²	59.6	58%	0.583	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.1	169.8	-171.3	174.3	-176.1	172.5	0	111.9	N45 G46 L50 D98	N45-K48 WeakPolarHBondContact O-CB 3.06Å; N45-K48 PolarHBondContact O-N 3.43Å; N45-K48 VanDerWaalsContact O-N 3.14Å; G46-K48 PolarHBondContact O-N 3.22Å; K48-L50 PolarHBondContact O-N 3.43Å; K48-D98 IonicContact NZ-OD2 3.84Å
49	Q	67.8	Low	78.9	Confident	136 Å²	136	56.9 Å²	56.9	64%	0.636	30%	0.298	S	S	*	.	S	Bend	trans	-63.9	121.3	172.3	-67.4	-178.5	-7.5	0	0	108.9	G46 L47 E51 K52	G46-Q49 PolarHBondContact O-N 3.24Å; G46-Q49 VanDerWaalsContact O-N 3.17Å; L47-Q49 PolarHBondContact O-N 2.98Å; Q49-E51 PolarHBondContact O-N 2.91Å; Q49-K52 PolarHBondContact O-N 3.49Å
50	L	61.8	Low	79.2	Confident	130 Å²	130	56.7 Å²	56.7	68%	0.681	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.1	-158.5	-71.7	165.6	0	0	0	116	K48 R104	K48-L50 PolarHBondContact O-N 3.43Å; L50-R104 VanDerWaalsContact CD2-NH2 3.27Å; L50-R104 PolarHBondContact O-NH1 2.75Å
51	E	70.4	Confident	79.4	Confident	157 Å²	157	57.4 Å²	57.4	73%	0.734	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-16.9	-168.4	-63.7	177.5	172.4	0	0	113.8	Q49	Q49-E51 PolarHBondContact O-N 2.91Å
52	K	74.7	Confident	79.7	Confident	86 Å²	86	56.5 Å²	56.5	37%	0.374	30%	0.301	S	S	.	.			trans	-98.1	123.2	-177	-66.6	-171.2	177	-173.3	0	111.9	L47 Q49 D227	L47-K52 HydrophobicContact CD2-CB 3.92Å; Q49-K52 PolarHBondContact O-N 3.49Å; K52-D227 WeakPolarHBondContact CA-OD2 3.36Å
53	N	81.7	Confident	80.1	Confident	45 Å²	45	53.5 Å²	53.5	24%	0.241	29%	0.288	C	S	.	.			trans	-116.4	-3	179.2	-61.2	-40.2	0	0	0	112.6	F106 Y107 D227	N53-F106 CarbonylContact O-C 3.57Å; N53-F106 VanDerWaalsContact O-CA 3.31Å; N53-F106 WeakPolarHBondContact O-CA 3.48Å; N53-Y107 HydrophobicContact CB-CD2 4.47Å; N53-Y107 PolarHBondContact O-N 3.48Å; N53-D227 PolarHBondContact N-OD2 2.8Å
54	T	85	Confident	80.4	Confident	33 Å²	33	57.5 Å²	57.5	20%	0.202	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.1	178.7	61.4	0	0	0	0	113.1	L47 Y107 D227	L47-T54 WeakPolarHBondContact CD2-O 3.21Å; T54-Y107 CarbonylContact C-O 3.49Å; T54-Y107 WeakPolarHBondContact CA-O 3.3Å; T54-D227 HydrophobicContact CG2-CB 3.71Å; T54-D227 PolarHBondContact N-OD2 3.3Å; T54-D227 VanDerWaalsContact N-OD2 3.07Å; T54-D227 PolarHBondContact OG1-OD2 2.91Å
55	L	86.6	Confident	80.6	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.7	168.8	-175.5	70.8	0	0	0	110.1	L29 A43 L47 V57 T88 Y107 S109	L29-L55 HydrophobicContact CD1-CD2 4.47Å; L29-L55 HydrophobicContact CD2-CD2 4.23Å; A43-L55 HydrophobicContact CB-CD1 3.89Å; L47-L55 HydrophobicContact CD1-CB 4.26Å; L47-L55 HydrophobicContact CD1-CD1 4.07Å; L55-V57 HydrophobicContact CD2-CG2 4.18Å; L55-V57 HydrophobicContact CG-CG2 4.21Å; L55-T88 HydrophobicContact CD2-CG2 3.94Å; L55-Y107 PolarHBondContact N-O 3.21Å; L55-S109 PolarHBondContact O-N 3.48Å; L55-S109 PolarHBondContact O-OG 3.5Å
56	S	86.3	Confident	80.9	Confident	66 Å²	66	58.3 Å²	58.3	46%	0.462	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121	175.8	60.5	0	0	0	0	111.9	S109	S56-S109 CarbonylContact C-O 3.47Å; S56-S109 WeakPolarHBondContact CA-O 3.39Å; S56-S109 VanDerWaalsContact CA-OG 3.25Å; S56-S109 WeakPolarHBondContact CA-OG 3.01Å
57	V	87.7	Confident	81.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.8	-179.4	-176.9	0	0	0	0	110.2	F25 F28 L29 Y40 L55 I62 V108 S109 F110 T111	F25-V57 HydrophobicContact CZ-CG2 4.31Å; F28-V57 HydrophobicContact CE1-CG1 3.9Å; L29-V57 HydrophobicContact CD2-CG2 4.34Å; Y40-V57 HydrophobicContact CD1-CG2 4.46Å; Y40-V57 HydrophobicContact CE1-CB 4.25Å; Y40-V57 HydrophobicContact CE1-CG1 4.04Å; Y40-V57 HydrophobicContact CE1-CG2 4.17Å; L55-V57 HydrophobicContact CD2-CG2 4.18Å; L55-V57 HydrophobicContact CG-CG2 4.21Å; V57-I62 HydrophobicContact CG1-CD1 3.89Å; V57-I62 HydrophobicContact CG1-CG1 4.17Å; V57-V108 HydrophobicContact CB-CG1 4.46Å; V57-V108 HydrophobicContact CG2-CG1 4.07Å; V57-S109 PolarHBondContact N-O 3.29Å; V57-F110 WeakPolarHBondContact O-CA 3.22Å; V57-T111 PolarHBondContact O-N 3.4Å; V57-T111 PolarHBondContact O-OG1 3.14Å
58	T	87	Confident	82.2	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.117	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.1	178.8	-50.9	0	0	0	0	110.1	Y40 T60 D61 T111 D112	Y40-T58 PolarHBondContact OH-N 2.85Å; T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 WeakPolarHBondContact CG2-OG1 3.35Å; T58-T60 PolarHBondContact O-N 3.33Å; T58-D61 WeakPolarHBondContact O-CB 3.37Å; T58-D61 PolarHBondContact O-N 3.35Å; T58-T111 WeakPolarHBondContact CA-OG1 3.47Å; T58-T111 PolarHBondContact OG1-OG1 2.75Å; T58-D112 HydrophobicContact CG2-CB 3.93Å
59	F	87.5	Confident	83.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-29.3	-175.5	-166.1	-92.8	0	0	0	112.5	D61 I62 I63 I73 Q74 F110 T111 V113 L130	F59-D61 PolarHBondContact O-N 2.96Å; F59-I62 HydrophobicContact CD2-CD1 4.28Å; F59-I62 WeakPolarHBondContact O-CB 3.43Å; F59-I62 PolarHBondContact O-N 3.15Å; F59-I63 HydrophobicContact CD1-CD1 3.7Å; F59-I63 HydrophobicContact CD1-CG1 3.96Å; F59-I63 HydrophobicContact CE1-CD1 3.68Å; F59-I63 HydrophobicContact CE1-CG1 3.69Å; F59-I63 WeakPolarHBondContact O-CG1 3.35Å; F59-I63 PolarHBondContact O-N 3.16Å; F59-I63 VanDerWaalsContact O-N 3.13Å; F59-I73 HydrophobicContact CE2-CG2 4.25Å; F59-Q74 HydrophobicContact CE1-CG 4.24Å; F59-Q74 HydrophobicContact CE2-CG 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.55Å; F59-F110 HydrophobicContact CD2-CD1 4.16Å; F59-T111 VanDerWaalsContact CB-O 3.25Å; F59-T111 WeakPolarHBondContact CB-O 3.5Å; F59-T111 PolarHBondContact N-O 3.23Å; F59-V113 HydrophobicContact CB-CG2 4.04Å; F59-V113 HydrophobicContact CD2-CG2 4.41Å; F59-V113 HydrophobicContact CG-CG2 4.13Å; F59-L130 HydrophobicContact CD2-CD2 4.13Å; F59-L130 HydrophobicContact CE2-CD2 4.08Å
60	T	86.7	Confident	84	Confident	63 Å²	63	58 Å²	58	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-36	173.4	53.9	0	0	0	0	112.4	T58 I62 I63 V64 D112	T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 WeakPolarHBondContact CG2-OG1 3.35Å; T58-T60 PolarHBondContact O-N 3.33Å; T60-I62 VanDerWaalsContact C-N 3.29Å; T60-I62 PolarHBondContact O-N 2.86Å; T60-I63 WeakPolarHBondContact O-CB 3.45Å; T60-I63 PolarHBondContact O-N 2.73Å; T60-V64 WeakPolarHBondContact O-CG2 3.22Å; T60-V64 PolarHBondContact O-N 3.43Å; T60-D112 HydrophobicContact CG2-CB 4.33Å
61	D	87.1	Confident	85.3	Confident	17 Å²	17	53.1 Å²	53.1	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-33.9	-178.5	-61	0.1	0	0	0	110.6	F28 F32 K39 Y40 T58 F59 S65	F28-D61 HydrophobicContact CE2-CB 4.42Å; F28-D61 WeakPolarHBondContact CE2-O 3.48Å; F28-D61 HydrophobicContact CZ-CB 4.01Å; F32-D61 HydrophobicContact CD1-CB 4.37Å; F32-D61 HydrophobicContact CD2-CB 4.38Å; F32-D61 HydrophobicContact CE1-CB 3.75Å; F32-D61 WeakPolarHBondContact CE1-OD2 3.38Å; F32-D61 HydrophobicContact CE2-CB 3.77Å; F32-D61 HydrophobicContact CZ-CB 3.41Å; F32-D61 VanDerWaalsContact CZ-CB 3.41Å; F32-D61 VanDerWaalsContact CZ-CG 3.41Å; K39-D61 IonicContact NZ-OD2 2.91Å; K39-D61 PolarHBondContact NZ-OD2 3.04Å; Y40-D61 WeakPolarHBondContact OH-CB 3.47Å; Y40-D61 PolarHBondContact OH-OD2 3.24Å; T58-D61 WeakPolarHBondContact O-CB 3.37Å; T58-D61 PolarHBondContact O-N 3.35Å; F59-D61 PolarHBondContact O-N 2.96Å; D61-S65 PolarHBondContact O-N 3.48Å; D61-S65 VanDerWaalsContact O-N 3.11Å; D61-S65 PolarHBondContact O-OG 3.04Å
62	I	87	Confident	86.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-42.2	173.4	-56.8	173.8	0	0	0	110.3	F25 F28 V57 F59 T60 V64 S65 D66 L69 F110	F25-I62 HydrophobicContact CE2-CD1 4.27Å; F28-I62 HydrophobicContact CD1-CG1 4.33Å; F28-I62 HydrophobicContact CE1-CD1 4.44Å; F28-I62 HydrophobicContact CE1-CG1 3.63Å; F28-I62 HydrophobicContact CE2-CG1 4.39Å; F28-I62 HydrophobicContact CZ-CB 4.47Å; F28-I62 HydrophobicContact CZ-CG1 3.65Å; V57-I62 HydrophobicContact CG1-CD1 3.89Å; V57-I62 HydrophobicContact CG1-CG1 4.17Å; F59-I62 HydrophobicContact CD2-CD1 4.28Å; F59-I62 WeakPolarHBondContact O-CB 3.43Å; F59-I62 PolarHBondContact O-N 3.15Å; T60-I62 VanDerWaalsContact C-N 3.29Å; T60-I62 PolarHBondContact O-N 2.86Å; I62-V64 VanDerWaalsContact C-N 3.29Å; I62-V64 PolarHBondContact O-N 3.21Å; I62-S65 PolarHBondContact O-N 3.02Å; I62-S65 PolarHBondContact O-OG 3.47Å; I62-S65 VanDerWaalsContact O-OG 3.1Å; I62-D66 CarbonylContact O-C 3.57Å; I62-D66 PolarHBondContact O-N 3.31Å; I62-D66 VanDerWaalsContact O-O 3.09Å; I62-L69 HydrophobicContact CG2-CB 4.45Å; I62-L69 HydrophobicContact CG2-CD2 4.11Å; I62-L69 HydrophobicContact CG2-CG 4.19Å; I62-F110 HydrophobicContact CD1-CD1 4.09Å; I62-F110 HydrophobicContact CD1-CE1 3.63Å
63	I	88.4	Confident	87	Confident	62 Å²	62	44.5 Å²	44.5	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-41.2	178	-64.4	168.7	0	0	0	111	F59 T60 T67	F59-I63 HydrophobicContact CD1-CD1 3.7Å; F59-I63 HydrophobicContact CD1-CG1 3.96Å; F59-I63 HydrophobicContact CE1-CD1 3.68Å; F59-I63 HydrophobicContact CE1-CG1 3.69Å; F59-I63 WeakPolarHBondContact O-CG1 3.35Å; F59-I63 PolarHBondContact O-N 3.16Å; F59-I63 VanDerWaalsContact O-N 3.13Å; T60-I63 WeakPolarHBondContact O-CB 3.45Å; T60-I63 PolarHBondContact O-N 2.73Å; I63-T67 PolarHBondContact O-OG1 3.49Å
64	V	86.7	Confident	87.4	Confident	119 Å²	119	45 Å²	45	72%	0.721	25%	0.251	S	S	*	.	H	α-helix	trans	-69.3	-40.3	-178.7	172.6	0	0	0	0	111.8	T60 I62	T60-V64 WeakPolarHBondContact O-CG2 3.22Å; T60-V64 PolarHBondContact O-N 3.43Å; I62-V64 VanDerWaalsContact C-N 3.29Å; I62-V64 PolarHBondContact O-N 3.21Å
65	S	82.9	Confident	87.6	Confident	56 Å²	56	47.6 Å²	47.6	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-77.5	-50	-179.1	57.9	0	0	0	0	112.5	F28 D61 I62	F28-S65 WeakPolarHBondContact CD2-OG 3.21Å; F28-S65 WeakPolarHBondContact CE2-OG 3.2Å; D61-S65 PolarHBondContact O-N 3.48Å; D61-S65 VanDerWaalsContact O-N 3.11Å; D61-S65 PolarHBondContact O-OG 3.04Å; I62-S65 PolarHBondContact O-N 3.02Å; I62-S65 PolarHBondContact O-OG 3.47Å; I62-S65 VanDerWaalsContact O-OG 3.1Å
66	D	85.7	Confident	87.6	Confident	47 Å²	47	51.1 Å²	51.1	25%	0.251	28%	0.28	S	S	.	.			trans	-148.3	102.8	-177.6	-167.3	-8.5	0	0	0	112.2	I62 R68 L69 S70	I62-D66 CarbonylContact O-C 3.57Å; I62-D66 PolarHBondContact O-N 3.31Å; I62-D66 VanDerWaalsContact O-O 3.09Å; D66-R68 PolarHBondContact O-N 3.26Å; D66-R68 WeakPolarHBondContact OD1-CB 3.28Å; D66-R68 PolarHBondContact OD1-N 3.26Å; D66-L69 HydrophobicContact CB-CB 3.92Å; D66-L69 PolarHBondContact O-N 3.38Å; D66-L69 PolarHBondContact OD1-N 2.79Å; D66-S70 PolarHBondContact O-N 3Å
67	T	87.4	Confident	87.9	Confident	103 Å²	103	48.1 Å²	48.1	63%	0.632	26%	0.259	S	S	*	.	H	α-helix	trans	-62.5	-29.2	175.4	-45.8	0	0	0	0	112.3	I63 S70 G71	I63-T67 PolarHBondContact O-OG1 3.49Å; T67-S70 WeakPolarHBondContact CA-OG 3.12Å; T67-S70 PolarHBondContact O-OG 3.17Å; T67-G71 PolarHBondContact O-N 3.4Å
68	R	89	Confident	88	Confident	206 Å²	206	54 Å²	54	78%	0.777	28%	0.282	S	S	*	.	H	α-helix	trans	-71	-44.3	179.5	-63.1	-178.7	178.2	179.4	0.6	111.1	D66 S70 G71 L72	D66-R68 PolarHBondContact O-N 3.26Å; D66-R68 WeakPolarHBondContact OD1-CB 3.28Å; D66-R68 PolarHBondContact OD1-N 3.26Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.86Å; R68-G71 PolarHBondContact O-N 2.91Å; R68-L72 WeakPolarHBondContact O-CG 3.11Å; R68-L72 PolarHBondContact O-N 3.43Å; R68-L72 VanDerWaalsContact O-N 3.1Å
69	L	87.3	Confident	88.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-44.4	176.4	-177.2	62.7	0	0	0	111.1	C21 L24 F25 I62 D66 G71 L72 I73	C21-L69 VanDerWaalsContact SG-CD1 3.56Å; L24-L69 HydrophobicContact CB-CD1 4.23Å; L24-L69 HydrophobicContact CB-CD2 4.46Å; F25-L69 HydrophobicContact CB-CD2 4.44Å; F25-L69 HydrophobicContact CD2-CD2 4.31Å; I62-L69 HydrophobicContact CG2-CB 4.45Å; I62-L69 HydrophobicContact CG2-CD2 4.11Å; I62-L69 HydrophobicContact CG2-CG 4.19Å; D66-L69 HydrophobicContact CB-CB 3.92Å; D66-L69 PolarHBondContact O-N 3.38Å; D66-L69 PolarHBondContact OD1-N 2.79Å; L69-G71 PolarHBondContact O-N 3.34Å; L69-L72 PolarHBondContact O-N 3.2Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.48Å; L69-I73 HydrophobicContact CG-CD1 3.78Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.26Å; L69-I73 PolarHBondContact O-N 2.87Å
70	S	87.5	Confident	88.2	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-41.3	177.7	68.3	0	0	0	0	113.3	D66 T67 R68 I73 Q74	D66-S70 PolarHBondContact O-N 3Å; T67-S70 WeakPolarHBondContact CA-OG 3.12Å; T67-S70 PolarHBondContact O-OG 3.17Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.86Å; S70-I73 PolarHBondContact O-N 3.32Å; S70-Q74 WeakPolarHBondContact O-CB 3.37Å; S70-Q74 WeakPolarHBondContact O-CG 3.47Å; S70-Q74 PolarHBondContact O-N 2.97Å
71	G	89.3	Confident	88.4	Confident	27 Å²	27	57.8 Å²	57.8	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-44.4	176.2	0	0	0	0	0	112.8	T67 R68 L69 Q74 D75	T67-G71 PolarHBondContact O-N 3.4Å; R68-G71 PolarHBondContact O-N 2.91Å; L69-G71 PolarHBondContact O-N 3.34Å; G71-Q74 PolarHBondContact O-N 3.34Å; G71-D75 PolarHBondContact O-N 3.48Å; G71-D75 VanDerWaalsContact O-N 3.1Å
72	L	89.5	Confident	88.4	Confident	63 Å²	63	61.1 Å²	61.1	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-45.1	176.5	-70.1	174	0	0	0	112	R68 L69 Q74 E76 L80	R68-L72 WeakPolarHBondContact O-CG 3.11Å; R68-L72 PolarHBondContact O-N 3.43Å; R68-L72 VanDerWaalsContact O-N 3.1Å; L69-L72 PolarHBondContact O-N 3.2Å; L72-Q74 VanDerWaalsContact C-N 3.33Å; L72-Q74 PolarHBondContact O-N 3.17Å; L72-E76 PolarHBondContact O-N 2.82Å; L72-L80 HydrophobicContact CB-CD1 4.13Å; L72-L80 WeakPolarHBondContact O-CD1 3.3Å
73	I	90.6	Very high	88.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-37.2	178.7	-67.5	172.6	0	0	0	111.1	F25 F59 L69 S70 F77 L84 F110 L130	F25-I73 HydrophobicContact CD2-CD1 4.45Å; F59-I73 HydrophobicContact CE2-CG2 4.25Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.48Å; L69-I73 HydrophobicContact CG-CD1 3.78Å; L69-I73 HydrophobicContact CG-CG1 4.46Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.26Å; L69-I73 PolarHBondContact O-N 2.87Å; S70-I73 PolarHBondContact O-N 3.32Å; I73-F77 HydrophobicContact CG2-CD2 3.89Å; I73-F77 HydrophobicContact CG2-CE2 4.37Å; I73-F77 VanDerWaalsContact O-CA 3.3Å; I73-F77 WeakPolarHBondContact O-CA 3.27Å; I73-F77 VanDerWaalsContact O-CB 3.25Å; I73-F77 WeakPolarHBondContact O-CB 3.47Å; I73-F77 PolarHBondContact O-N 3.3Å; I73-L84 HydrophobicContact CD1-CD2 4.28Å; I73-L84 HydrophobicContact CG1-CD1 4.44Å; I73-F110 HydrophobicContact CG2-CZ 4.32Å; I73-L130 HydrophobicContact CG2-CD2 4.38Å
74	Q	89.6	Confident	88.5	Confident	56 Å²	56	58.8 Å²	58.8	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-44.3	178.9	-80.3	177.5	-3.6	0	0	113	F59 S70 G71 L72 R129 L130	F59-Q74 HydrophobicContact CE1-CG 4.24Å; F59-Q74 HydrophobicContact CE2-CG 4.23Å; F59-Q74 HydrophobicContact CZ-CG 3.55Å; S70-Q74 WeakPolarHBondContact O-CB 3.37Å; S70-Q74 WeakPolarHBondContact O-CG 3.47Å; S70-Q74 PolarHBondContact O-N 2.97Å; G71-Q74 PolarHBondContact O-N 3.34Å; L72-Q74 VanDerWaalsContact C-N 3.33Å; L72-Q74 PolarHBondContact O-N 3.17Å; Q74-R129 CarbonylContact O-C 3.58Å; Q74-R129 WeakPolarHBondContact O-CA 3.5Å; Q74-R129 WeakPolarHBondContact O-CB 3.26Å; Q74-L130 PolarHBondContact O-N 2.63Å
75	D	89.3	Confident	88.6	Confident	87 Å²	87	54.1 Å²	54.1	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-81.3	-40.7	-174.9	-78.6	-30.5	0	0	0	113	G71 R129	G71-D75 PolarHBondContact O-N 3.48Å; G71-D75 VanDerWaalsContact O-N 3.1Å; D75-R129 IonicContact OD1-CZ 2.58Å; D75-R129 IonicContact OD1-NE 3.7Å; D75-R129 IonicContact OD1-NH1 3.56Å; D75-R129 PolarHBondContact OD1-NH1 3.28Å; D75-R129 IonicContact OD1-NH2 2.8Å
76	E	88.2	Confident	88.8	Confident	76 Å²	76	53.1 Å²	53.1	36%	0.355	27%	0.267	S	S	.	.	S	Bend	trans	-117	35.3	-174	-62.4	-165.3	178	0	0	113.3	L72 Y78 R79 L80	L72-E76 PolarHBondContact O-N 2.82Å; E76-Y78 VanDerWaalsContact C-N 3.34Å; E76-Y78 PolarHBondContact O-N 3.08Å; E76-R79 HydrophobicContact CB-CB 4.49Å; E76-R79 PolarHBondContact O-N 3.12Å; E76-R79 VanDerWaalsContact O-N 3.16Å; E76-R79 IonicContact OE1-NH1 3.04Å; E76-R79 WeakPolarHBondContact OE2-CD 3.36Å; E76-R79 IonicContact OE2-CZ 3.98Å; E76-R79 IonicContact OE2-NE 3.52Å; E76-R79 IonicContact OE2-NH1 2.72Å; E76-R79 PolarHBondContact OE2-NH1 3.45Å; E76-L80 HydrophobicContact CB-CD1 4.2Å; E76-L80 HydrophobicContact CB-CG 4.33Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.03Å
77	F	90.9	Very high	88.9	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-50.6	-50.2	-176.6	-172.5	-90.5	0	0	0	113.2	I73 R79 L80 Y81 F110 G128 L130 T243	I73-F77 HydrophobicContact CG2-CD2 3.89Å; I73-F77 HydrophobicContact CG2-CE2 4.37Å; I73-F77 VanDerWaalsContact O-CA 3.3Å; I73-F77 WeakPolarHBondContact O-CA 3.27Å; I73-F77 VanDerWaalsContact O-CB 3.25Å; I73-F77 WeakPolarHBondContact O-CB 3.47Å; I73-F77 PolarHBondContact O-N 3.3Å; F77-R79 VanDerWaalsContact C-N 3.27Å; F77-R79 PolarHBondContact O-N 3.25Å; F77-L80 PolarHBondContact O-N 2.7Å; F77-Y81 HydrophobicContact CD1-CD2 4.37Å; F77-Y81 AromaticContact CE1-CD2 3.46Å; F77-Y81 HydrophobicContact CE1-CD2 3.46Å; F77-Y81 VanDerWaalsContact CE1-CD2 3.46Å; F77-Y81 HydrophobicContact CE1-CE2 4.09Å; F77-Y81 HydrophobicContact CE1-CG 4.07Å; F77-Y81 HydrophobicContact CE2-CD2 4.36Å; F77-Y81 AromaticContact CZ-CD2 3.46Å; F77-Y81 HydrophobicContact CZ-CD2 3.46Å; F77-Y81 VanDerWaalsContact CZ-CD2 3.46Å; F77-Y81 AromaticContact CZ-CE2 3.91Å; F77-Y81 HydrophobicContact CZ-CE2 3.91Å; F77-Y81 HydrophobicContact CZ-CG 4.46Å; F77-Y81 VanDerWaalsContact O-CB 3.29Å; F77-Y81 WeakPolarHBondContact O-CB 3.3Å; F77-Y81 PolarHBondContact O-N 3.34Å; F77-F110 HydrophobicContact CD2-CE2 4.42Å; F77-F110 AromaticContact CE2-CD2 3.53Å; F77-F110 HydrophobicContact CE2-CD2 3.53Å; F77-F110 AromaticContact CE2-CE2 3.31Å; F77-F110 HydrophobicContact CE2-CE2 3.31Å; F77-F110 HydrophobicContact CE2-CZ 4.26Å; F77-F110 AromaticContact CZ-CD2 3.93Å; F77-F110 HydrophobicContact CZ-CD2 3.93Å; F77-F110 AromaticContact CZ-CE2 3.83Å; F77-F110 HydrophobicContact CZ-CE2 3.83Å; F77-G128 WeakPolarHBondContact CB-O 3.24Å; F77-G128 PolarHBondContact N-O 2.96Å; F77-L130 HydrophobicContact CB-CB 4.15Å; F77-L130 HydrophobicContact CD2-CB 3.9Å; F77-L130 HydrophobicContact CD2-CD1 3.79Å; F77-L130 HydrophobicContact CD2-CD2 4.12Å; F77-L130 HydrophobicContact CD2-CG 4.14Å; F77-L130 HydrophobicContact CE2-CD1 3.65Å; F77-L130 HydrophobicContact CE2-CD2 4.18Å; F77-L130 HydrophobicContact CE2-CG 4.35Å; F77-L130 HydrophobicContact CG-CB 4.18Å; F77-L130 HydrophobicContact CG-CD1 4.27Å; F77-L130 HydrophobicContact CZ-CD1 4.03Å; F77-T243 HydrophobicContact CB-CG2 3.79Å; F77-T243 HydrophobicContact CD1-CG2 3.09Å; F77-T243 HydrophobicContact CE1-CG2 3.81Å; F77-T243 HydrophobicContact CG-CG2 3.67Å
78	Y	89.6	Confident	88.9	Confident	123 Å²	123	46 Å²	46	48%	0.482	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-36	-174.8	-176.5	-100.9	0	0	0	112.7	E76 G128 I245	E76-Y78 VanDerWaalsContact C-N 3.34Å; E76-Y78 PolarHBondContact O-N 3.08Å; Y78-G128 PolarHBondContact N-O 3.06Å; Y78-I245 HydrophobicContact CD2-CG2 4.2Å; Y78-I245 HydrophobicContact CE2-CG2 4.24Å
79	R	89.5	Confident	88.7	Confident	116 Å²	116	38.8 Å²	38.8	44%	0.438	20%	0.2	S	C	.	.	H	α-helix	trans	-74.3	-40.9	178.2	-178.8	-174.7	174	-171.4	2.1	111.6	D15 E76 F77 P82	D15-R79 IonicContact OD1-CZ 3.08Å; D15-R79 IonicContact OD1-NE 3.27Å; D15-R79 IonicContact OD1-NH2 3.88Å; D15-R79 PolarHBondContact OD1-NH2 3.38Å; D15-R79 IonicContact OD2-CZ 2.72Å; D15-R79 IonicContact OD2-NE 2.88Å; D15-R79 PolarHBondContact OD2-NE 2.91Å; D15-R79 IonicContact OD2-NH2 2.96Å; D15-R79 PolarHBondContact OD2-NH2 2.74Å; E76-R79 HydrophobicContact CB-CB 4.49Å; E76-R79 PolarHBondContact O-N 3.12Å; E76-R79 VanDerWaalsContact O-N 3.16Å; E76-R79 IonicContact OE1-NH1 3.04Å; E76-R79 WeakPolarHBondContact OE2-CD 3.36Å; E76-R79 IonicContact OE2-CZ 3.98Å; E76-R79 IonicContact OE2-NE 3.52Å; E76-R79 IonicContact OE2-NH1 2.72Å; E76-R79 PolarHBondContact OE2-NH1 3.45Å; F77-R79 VanDerWaalsContact C-N 3.27Å; F77-R79 PolarHBondContact O-N 3.25Å; R79-P82 WeakPolarHBondContact O-CD 3.38Å
80	L	89.9	Confident	88.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-82.7	-18.8	-175.8	-62.4	174.9	0	0	0	113.1	V17 A18 C21 L72 E76 F77 A83 L84	V17-L80 HydrophobicContact CG1-CD2 4.39Å; A18-L80 HydrophobicContact CB-CD2 4.25Å; C21-L80 HydrophobicContact CB-CD2 3.99Å; L72-L80 HydrophobicContact CB-CD1 4.13Å; L72-L80 WeakPolarHBondContact O-CD1 3.3Å; E76-L80 HydrophobicContact CB-CD1 4.2Å; E76-L80 HydrophobicContact CB-CG 4.33Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.03Å; F77-L80 PolarHBondContact O-N 2.7Å; L80-A83 WeakPolarHBondContact O-CA 3.44Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.47Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.42Å
81	Y	90.6	Very high	88.5	Confident	45 Å²	45	41.9 Å²	41.9	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-53.9	-45.2	-175.1	-174.5	-102.5	0	0	0	114.9	F77 A83 L84 C85	F77-Y81 HydrophobicContact CD1-CD2 4.37Å; F77-Y81 AromaticContact CE1-CD2 3.46Å; F77-Y81 HydrophobicContact CE1-CD2 3.46Å; F77-Y81 VanDerWaalsContact CE1-CD2 3.46Å; F77-Y81 HydrophobicContact CE1-CE2 4.09Å; F77-Y81 HydrophobicContact CE1-CG 4.07Å; F77-Y81 HydrophobicContact CE2-CD2 4.36Å; F77-Y81 AromaticContact CZ-CD2 3.46Å; F77-Y81 HydrophobicContact CZ-CD2 3.46Å; F77-Y81 VanDerWaalsContact CZ-CD2 3.46Å; F77-Y81 AromaticContact CZ-CE2 3.91Å; F77-Y81 HydrophobicContact CZ-CE2 3.91Å; F77-Y81 HydrophobicContact CZ-CG 4.46Å; F77-Y81 VanDerWaalsContact O-CB 3.29Å; F77-Y81 WeakPolarHBondContact O-CB 3.3Å; F77-Y81 PolarHBondContact O-N 3.34Å; Y81-A83 VanDerWaalsContact C-N 3.29Å; Y81-A83 PolarHBondContact O-N 3.24Å; Y81-L84 PolarHBondContact O-N 3.39Å; Y81-C85 PolarHBondContact O-N 3.13Å; Y81-C85 PolarHBondContact O-SG 2.95Å
82	P	87	Confident	88.3	Confident	87 Å²	87	40.7 Å²	40.7	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-63.2	-34.9	176	-22	34.8	0	0	0	113	R79 C85 A86	R79-P82 WeakPolarHBondContact O-CD 3.38Å; P82-C85 PolarHBondContact O-N 3.31Å; P82-A86 PolarHBondContact O-N 3.48Å
83	A	88.6	Confident	87.9	Confident	13 Å²	13	39.1 Å²	39.1	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-37.9	176.9	0	0	0	0	0	111.4	A18 Q22 L80 Y81 A86 A87	A18-A83 HydrophobicContact CB-CB 4.1Å; Q22-A83 HydrophobicContact CB-CB 4.41Å; L80-A83 WeakPolarHBondContact O-CA 3.44Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.47Å; Y81-A83 VanDerWaalsContact C-N 3.29Å; Y81-A83 PolarHBondContact O-N 3.24Å; A83-A86 PolarHBondContact O-N 3.29Å; A83-A87 PolarHBondContact O-N 3.37Å
84	L	90.3	Very high	87.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-42.7	173.7	-64.4	172.3	0	0	0	111.8	F25 I73 L80 Y81 A86 A87 T88 V108 F110	F25-L84 HydrophobicContact CB-CD2 3.9Å; F25-L84 HydrophobicContact CD1-CD2 3.87Å; F25-L84 HydrophobicContact CD2-CD2 3.79Å; F25-L84 HydrophobicContact CE1-CD2 4.31Å; F25-L84 HydrophobicContact CE2-CD2 4.26Å; F25-L84 HydrophobicContact CG-CD2 3.57Å; F25-L84 HydrophobicContact CZ-CD2 4.5Å; I73-L84 HydrophobicContact CD1-CD2 4.28Å; I73-L84 HydrophobicContact CG1-CD1 4.44Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.42Å; Y81-L84 PolarHBondContact O-N 3.39Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.49Å; L84-A87 WeakPolarHBondContact O-CB 3.16Å; L84-A87 PolarHBondContact O-N 3.15Å; L84-T88 PolarHBondContact O-N 3.01Å; L84-T88 PolarHBondContact O-OG1 3.45Å; L84-V108 HydrophobicContact CB-CG2 4.26Å; L84-F110 HydrophobicContact CD1-CE2 4.36Å; L84-F110 HydrophobicContact CD1-CZ 4.03Å
85	C	88.4	Confident	86.8	Confident	21 Å²	21	44.9 Å²	44.9	14%	0.142	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-35.2	175.5	-61.8	0	0	0	0	112.1	Y81 P82 T88 K89 F106	Y81-C85 PolarHBondContact O-N 3.13Å; Y81-C85 PolarHBondContact O-SG 2.95Å; P82-C85 PolarHBondContact O-N 3.31Å; C85-T88 WeakPolarHBondContact CA-OG1 3.4Å; C85-T88 PolarHBondContact O-OG1 2.9Å; C85-K89 WeakPolarHBondContact O-CB 3.32Å; C85-K89 PolarHBondContact O-N 3.22Å; C85-F106 WeakPolarHBondContact CB-O 3.25Å
86	A	86.9	Confident	85.9	Confident	35 Å²	35	41.2 Å²	41.2	29%	0.289	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-39.7	173.4	0	0	0	0	0	112	P82 A83 L84 K89 N90	P82-A86 PolarHBondContact O-N 3.48Å; A83-A86 PolarHBondContact O-N 3.29Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.49Å; A86-K89 PolarHBondContact O-N 3.48Å; A86-N90 VanDerWaalsContact O-CG 3.32Å; A86-N90 PolarHBondContact O-N 3.14Å
87	A	87.5	Confident	84.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-45	174.3	0	0	0	0	0	112	Q22 F25 H26 A83 L84 K89 N90 F91	Q22-A87 HydrophobicContact CG-CB 3.72Å; F25-A87 HydrophobicContact CD1-CB 3.73Å; H26-A87 HydrophobicContact CB-CB 4.38Å; A83-A87 PolarHBondContact O-N 3.37Å; L84-A87 WeakPolarHBondContact O-CB 3.16Å; L84-A87 PolarHBondContact O-N 3.15Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.94Å; A87-N90 PolarHBondContact O-N 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.42Å; A87-F91 PolarHBondContact O-N 3.05Å
88	T	86.6	Confident	83.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-38	175.6	47.6	0	0	0	0	112.2	F25 L29 L55 L84 C85 N90 F91 V92 V108	F25-T88 HydrophobicContact CE1-CG2 3.77Å; L29-T88 HydrophobicContact CD1-CG2 4.09Å; L55-T88 HydrophobicContact CD2-CG2 3.94Å; L84-T88 PolarHBondContact O-N 3.01Å; L84-T88 PolarHBondContact O-OG1 3.45Å; C85-T88 WeakPolarHBondContact CA-OG1 3.4Å; C85-T88 PolarHBondContact O-OG1 2.9Å; T88-N90 PolarHBondContact O-N 2.88Å; T88-F91 PolarHBondContact O-N 3.33Å; T88-V92 VanDerWaalsContact O-CG2 3.29Å; T88-V92 WeakPolarHBondContact O-CG2 3.17Å; T88-V92 PolarHBondContact O-N 3.24Å; T88-V108 HydrophobicContact CG2-CG2 3.46Å; T88-V108 VanDerWaalsContact CG2-CG2 3.46Å
89	K	85.8	Confident	82	Confident	56 Å²	56	42.5 Å²	42.5	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-43.5	176	-175.2	171.4	-171.4	158.4	0	112.1	C85 A86 A87 N93 R104 D105 F106	C85-K89 WeakPolarHBondContact O-CB 3.32Å; C85-K89 PolarHBondContact O-N 3.22Å; A86-K89 PolarHBondContact O-N 3.48Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.94Å; K89-N93 WeakPolarHBondContact O-CB 3.27Å; K89-N93 PolarHBondContact O-N 3.37Å; K89-N93 PolarHBondContact O-ND2 2.56Å; K89-N93 VanDerWaalsContact O-ND2 3.15Å; K89-R104 WeakPolarHBondContact CE-O 3.35Å; K89-R104 PolarHBondContact NZ-O 3.33Å; K89-D105 IonicContact NZ-OD1 3.4Å; K89-D105 PolarHBondContact NZ-OD1 3.39Å; K89-F106 HydrophobicContact CB-CD2 4.22Å; K89-F106 HydrophobicContact CG-CD2 4.22Å
90	N	86.4	Confident	80.5	Confident	72 Å²	72	42.5 Å²	42.5	39%	0.385	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-47.9	175.5	-67.2	-11.3	0	0	0	110.8	Q22 A86 A87 T88 V92 N93 D94	Q22-N90 PolarHBondContact NE2-ND2 3.16Å; A86-N90 VanDerWaalsContact O-CG 3.32Å; A86-N90 PolarHBondContact O-N 3.14Å; A87-N90 PolarHBondContact O-N 3.31Å; T88-N90 PolarHBondContact O-N 2.88Å; N90-V92 VanDerWaalsContact C-N 3.35Å; N90-V92 PolarHBondContact O-N 3.43Å; N90-N93 WeakPolarHBondContact O-CB 3.34Å; N90-N93 PolarHBondContact O-N 3.12Å; N90-N93 VanDerWaalsContact O-N 3.13Å; N90-D94 VanDerWaalsContact O-CG 3.26Å; N90-D94 PolarHBondContact O-N 3.02Å; N90-D94 VanDerWaalsContact O-OD2 3.12Å
91	F	84.8	Confident	78.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-45.1	177.3	179.3	-104.3	0	0	0	113.2	L29 E30 V41 A44 A87 T88 D94 H95	L29-F91 HydrophobicContact CB-CD1 4.3Å; L29-F91 HydrophobicContact CB-CD2 3.71Å; L29-F91 HydrophobicContact CB-CE1 4.23Å; L29-F91 HydrophobicContact CB-CE2 3.65Å; L29-F91 HydrophobicContact CB-CG 4.04Å; L29-F91 HydrophobicContact CB-CZ 3.91Å; L29-F91 HydrophobicContact CD1-CB 4.09Å; L29-F91 HydrophobicContact CD1-CD1 4.03Å; L29-F91 HydrophobicContact CD1-CD2 4.4Å; L29-F91 HydrophobicContact CD1-CG 3.92Å; E30-F91 HydrophobicContact CG-CD2 3.99Å; E30-F91 HydrophobicContact CG-CE2 3.87Å; V41-F91 HydrophobicContact CG2-CE2 4.5Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å; A44-F91 HydrophobicContact CB-CD1 4.49Å; A44-F91 HydrophobicContact CB-CE1 3.93Å; A87-F91 WeakPolarHBondContact O-CB 3.42Å; A87-F91 PolarHBondContact O-N 3.05Å; T88-F91 PolarHBondContact O-N 3.33Å; F91-D94 PolarHBondContact O-N 3.17Å; F91-H95 AromaticContact CD2-CD2 3.9Å; F91-H95 AromaticContact CE2-CD2 3.54Å; F91-H95 AromaticContact CE2-NE2 3.45Å; F91-H95 WeakPolarHBondContact CE2-NE2 3.35Å; F91-H95 AromaticContact CZ-CD2 3.75Å; F91-H95 AromaticContact CZ-NE2 3.9Å; F91-H95 PolarHBondContact O-CD2 2.79Å; F91-H95 PolarHBondContact O-N 3.14Å
92	V	83.2	Confident	77.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-38.7	178.2	176.1	0	0	0	0	111.5	L47 T88 N90 D94 H95 V96 T99 F106	L47-V92 HydrophobicContact CD1-CG2 4.33Å; T88-V92 VanDerWaalsContact O-CG2 3.29Å; T88-V92 WeakPolarHBondContact O-CG2 3.17Å; T88-V92 PolarHBondContact O-N 3.24Å; N90-V92 VanDerWaalsContact C-N 3.35Å; N90-V92 PolarHBondContact O-N 3.43Å; V92-D94 VanDerWaalsContact C-N 3.26Å; V92-D94 PolarHBondContact O-N 2.87Å; V92-H95 PolarHBondContact O-N 2.91Å; V92-V96 HydrophobicContact CG1-CB 4.35Å; V92-V96 HydrophobicContact CG1-CG2 4.35Å; V92-V96 WeakPolarHBondContact O-CA 3.33Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 PolarHBondContact O-N 3.31Å; V92-T99 HydrophobicContact CG1-CG2 4.22Å; V92-F106 HydrophobicContact CB-CD2 4.29Å; V92-F106 HydrophobicContact CB-CE2 3.94Å; V92-F106 HydrophobicContact CB-CZ 4.14Å; V92-F106 HydrophobicContact CG1-CE1 4.07Å; V92-F106 HydrophobicContact CG1-CE2 3.74Å; V92-F106 HydrophobicContact CG1-CZ 3.49Å; V92-F106 VanDerWaalsContact CG1-CZ 3.49Å; V92-F106 HydrophobicContact CG2-CD1 4.47Å; V92-F106 HydrophobicContact CG2-CD2 4.42Å; V92-F106 HydrophobicContact CG2-CE1 4.48Å; V92-F106 HydrophobicContact CG2-CE2 4.41Å; V92-F106 HydrophobicContact CG2-CG 4.44Å; V92-F106 HydrophobicContact CG2-CZ 4.45Å
93	N	81.3	Confident	76.3	Confident	29 Å²	29	49.6 Å²	49.6	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-30	177.5	-76.1	-25.9	0	0	0	113.1	K89 N90 T99 Q100	K89-N93 WeakPolarHBondContact O-CB 3.27Å; K89-N93 PolarHBondContact O-N 3.37Å; K89-N93 PolarHBondContact O-ND2 2.56Å; K89-N93 VanDerWaalsContact O-ND2 3.15Å; N90-N93 WeakPolarHBondContact O-CB 3.34Å; N90-N93 PolarHBondContact O-N 3.12Å; N90-N93 VanDerWaalsContact O-N 3.13Å; N93-T99 PolarHBondContact OD1-OG1 3.16Å; N93-Q100 HydrophobicContact CB-CG 4.1Å; N93-Q100 PolarHBondContact O-NE2 2.8Å
94	D	82.2	Confident	75.5	Confident	102 Å²	102	52.9 Å²	52.9	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-75.9	-37.1	179.6	-65.8	-32.1	0	0	0	111.9	H26 N90 F91 V92	H26-D94 IonicContact CE1-OD2 3.94Å; H26-D94 PolarHBondContact CE1-OD2 2.9Å; H26-D94 IonicContact NE2-OD2 3.54Å; N90-D94 VanDerWaalsContact O-CG 3.26Å; N90-D94 PolarHBondContact O-N 3.02Å; N90-D94 VanDerWaalsContact O-OD2 3.12Å; F91-D94 PolarHBondContact O-N 3.17Å; V92-D94 VanDerWaalsContact C-N 3.26Å; V92-D94 PolarHBondContact O-N 2.87Å
95	H	75.4	Confident	75	Confident	75 Å²	75	55.1 Å²	55.1	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-90.5	-29.6	-179.5	-73.5	-68.6	0	0	0	114.2	F91 V92	F91-H95 AromaticContact CD2-CD2 3.9Å; F91-H95 AromaticContact CE2-CD2 3.54Å; F91-H95 AromaticContact CE2-NE2 3.45Å; F91-H95 WeakPolarHBondContact CE2-NE2 3.35Å; F91-H95 AromaticContact CZ-CD2 3.75Å; F91-H95 AromaticContact CZ-NE2 3.9Å; F91-H95 PolarHBondContact O-CD2 2.79Å; F91-H95 PolarHBondContact O-N 3.14Å; V92-H95 PolarHBondContact O-N 2.91Å
96	V	70.6	Confident	74.8	Confident	10 Å²	10	54.5 Å²	54.5	6%	0.061	31%	0.305	C	S	.	.			trans	-119.5	95.7	-175.1	-171.5	0	0	0	0	110.4	V92 D98 T99	V92-V96 HydrophobicContact CG1-CB 4.35Å; V92-V96 HydrophobicContact CG1-CG2 4.35Å; V92-V96 WeakPolarHBondContact O-CA 3.33Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 PolarHBondContact O-N 3.31Å; V96-D98 HydrophobicContact CG1-CB 4.44Å; V96-D98 PolarHBondContact O-N 2.72Å; V96-D98 VanDerWaalsContact O-N 3.13Å; V96-T99 HydrophobicContact CB-CG2 4.22Å; V96-T99 HydrophobicContact CG1-CG2 3.85Å; V96-T99 PolarHBondContact O-N 3.31Å; V96-T99 PolarHBondContact O-OG1 3.06Å
97	P	63.7	Low	74.8	Confident	98 Å²	98	54.3 Å²	54.3	64%	0.636	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64	-23.2	-174	23.7	-32.9	0	0	0	113.8	T99	P97-T99 PolarHBondContact O-N 3.35Å
98	D	61.8	Low	74.9	Confident	109 Å²	109	54.3 Å²	54.3	58%	0.583	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-68.2	-19.1	179.7	-66.6	-23.7	0	0	0	113.2	K48 V96 S102	K48-D98 IonicContact NZ-OD2 3.84Å; V96-D98 HydrophobicContact CG1-CB 4.44Å; V96-D98 PolarHBondContact O-N 2.72Å; V96-D98 VanDerWaalsContact O-N 3.13Å; D98-S102 PolarHBondContact O-OG 2.74Å
99	T	62.3	Low	75	Confident	22 Å²	22	54.8 Å²	54.8	14%	0.135	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-90.1	-17.4	-172.5	59.5	0	0	0	0	114.5	V92 N93 V96 P97 N101 S102 F106	V92-T99 HydrophobicContact CG1-CG2 4.22Å; N93-T99 PolarHBondContact OD1-OG1 3.16Å; V96-T99 HydrophobicContact CB-CG2 4.22Å; V96-T99 HydrophobicContact CG1-CG2 3.85Å; V96-T99 PolarHBondContact O-N 3.31Å; V96-T99 PolarHBondContact O-OG1 3.06Å; P97-T99 PolarHBondContact O-N 3.35Å; T99-N101 PolarHBondContact O-N 3.17Å; T99-S102 PolarHBondContact O-N 3.25Å; T99-F106 HydrophobicContact CG2-CZ 4.27Å
100	Q	57.4	Low	75.2	Confident	117 Å²	117	52.2 Å²	52.2	55%	0.547	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.3	-170.3	-64.9	-171.3	-7.4	0	0	114	N93	N93-Q100 HydrophobicContact CB-CG 4.1Å; N93-Q100 PolarHBondContact O-NE2 2.8Å
101	N	52.4	Low	75	Confident	163 Å²	163	50.1 Å²	50.1	87%	0.872	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.6	-179.1	-75.1	-21.3	0	0	0	114.6	T99 G103	T99-N101 PolarHBondContact O-N 3.17Å; N101-G103 VanDerWaalsContact C-N 3.26Å; N101-G103 PolarHBondContact O-N 3.27Å
102	S	60.7	Low	74.8	Confident	63 Å²	63	53.5 Å²	53.5	44%	0.441	30%	0.297	S	S	.	.	S	Bend	trans	-78.6	-10.1	-169.7	-67.3	0	0	0	0	113.6	D98 T99 R104	D98-S102 PolarHBondContact O-OG 2.74Å; T99-S102 PolarHBondContact O-N 3.25Å; S102-R104 PolarHBondContact O-N 3.14Å
103	G	65.6	Low	74.8	Confident	54 Å²	54	53.7 Å²	53.7	56%	0.557	30%	0.298	S	S	*	.			trans	64.8	7.3	-178.7	0	0	0	0	0	114.5	N101	N101-G103 VanDerWaalsContact C-N 3.26Å; N101-G103 PolarHBondContact O-N 3.27Å
104	R	72.2	Confident	74.9	Confident	82 Å²	82	56.5 Å²	56.5	31%	0.309	32%	0.318	S	S	.	.			trans	-66	145.7	-178.7	-65.1	179.8	-174.8	-146	-4.9	110.8	L50 K89 S102	L50-R104 VanDerWaalsContact CD2-NH2 3.27Å; L50-R104 PolarHBondContact O-NH1 2.75Å; K89-R104 WeakPolarHBondContact CE-O 3.35Å; K89-R104 PolarHBondContact NZ-O 3.33Å; S102-R104 PolarHBondContact O-N 3.14Å
105	D	78.8	Confident	74.9	Confident	48 Å²	48	53.2 Å²	53.2	26%	0.257	30%	0.304	S	S	.	.			trans	-108.3	136.7	172.7	-66.1	-29.9	0	0	0	108.1	K89 K195	K89-D105 IonicContact NZ-OD1 3.4Å; K89-D105 PolarHBondContact NZ-OD1 3.39Å; D105-K195 VanDerWaalsContact CG-NZ 3.3Å; D105-K195 IonicContact OD1-NZ 2.73Å; D105-K195 PolarHBondContact OD1-NZ 3Å; D105-K195 WeakPolarHBondContact OD2-CD 3.44Å; D105-K195 WeakPolarHBondContact OD2-CE 3.4Å; D105-K195 IonicContact OD2-NZ 3.3Å; D105-K195 PolarHBondContact OD2-NZ 3.22Å
106	F	84.9	Confident	75.4	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.031	31%	0.307	C	S	.	.			trans	-107.8	139.7	179.8	-65	-78.9	0	0	0	109.3	L47 N53 C85 K89 V92 T99	L47-F106 HydrophobicContact CD1-CD1 4.32Å; L47-F106 HydrophobicContact CD1-CE1 4.45Å; N53-F106 CarbonylContact O-C 3.57Å; N53-F106 VanDerWaalsContact O-CA 3.31Å; N53-F106 WeakPolarHBondContact O-CA 3.48Å; C85-F106 WeakPolarHBondContact CB-O 3.25Å; K89-F106 HydrophobicContact CB-CD2 4.22Å; K89-F106 HydrophobicContact CG-CD2 4.22Å; V92-F106 HydrophobicContact CB-CD2 4.29Å; V92-F106 HydrophobicContact CB-CE2 3.94Å; V92-F106 HydrophobicContact CB-CZ 4.14Å; V92-F106 HydrophobicContact CG1-CE1 4.07Å; V92-F106 HydrophobicContact CG1-CE2 3.74Å; V92-F106 HydrophobicContact CG1-CZ 3.49Å; V92-F106 VanDerWaalsContact CG1-CZ 3.49Å; V92-F106 HydrophobicContact CG2-CD1 4.47Å; V92-F106 HydrophobicContact CG2-CD2 4.42Å; V92-F106 HydrophobicContact CG2-CE1 4.48Å; V92-F106 HydrophobicContact CG2-CE2 4.41Å; V92-F106 HydrophobicContact CG2-CG 4.44Å; V92-F106 HydrophobicContact CG2-CZ 4.45Å; T99-F106 HydrophobicContact CG2-CZ 4.27Å
107	Y	88	Confident	76.2	Confident	31 Å²	31	55.6 Å²	55.6	12%	0.122	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	152.5	177.8	-61.1	-72.6	0	0	0	110.7	N53 T54 L55 V197 A226	N53-Y107 HydrophobicContact CB-CD2 4.47Å; N53-Y107 PolarHBondContact O-N 3.48Å; T54-Y107 CarbonylContact C-O 3.49Å; T54-Y107 WeakPolarHBondContact CA-O 3.3Å; L55-Y107 PolarHBondContact N-O 3.21Å; Y107-V197 WeakPolarHBondContact OH-CG2 3.21Å; Y107-A226 HydrophobicContact CD2-CB 3.49Å; Y107-A226 VanDerWaalsContact CD2-CB 3.49Å; Y107-A226 HydrophobicContact CE2-CB 3.57Å; Y107-A226 HydrophobicContact CG-CB 4.27Å
108	V	88.9	Confident	77.2	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.5	174.3	-168.8	0	0	0	0	109.1	F25 V57 L84 T88 F110	F25-V108 HydrophobicContact CZ-CG1 4.18Å; V57-V108 HydrophobicContact CB-CG1 4.46Å; V57-V108 HydrophobicContact CG2-CG1 4.07Å; L84-V108 HydrophobicContact CB-CG2 4.26Å; T88-V108 HydrophobicContact CG2-CG2 3.46Å; T88-V108 VanDerWaalsContact CG2-CG2 3.46Å; V108-F110 HydrophobicContact CB-CE2 4.22Å; V108-F110 HydrophobicContact CB-CZ 4.46Å; V108-F110 HydrophobicContact CG1-CD2 4.31Å; V108-F110 HydrophobicContact CG1-CE1 4.1Å; V108-F110 HydrophobicContact CG1-CE2 3.69Å; V108-F110 HydrophobicContact CG1-CZ 3.6Å
109	S	88.6	Confident	78.4	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	170.5	58.1	0	0	0	0	109.5	L55 S56 V57 T298	L55-S109 PolarHBondContact O-N 3.48Å; L55-S109 PolarHBondContact O-OG 3.5Å; S56-S109 CarbonylContact C-O 3.47Å; S56-S109 WeakPolarHBondContact CA-O 3.39Å; S56-S109 VanDerWaalsContact CA-OG 3.25Å; S56-S109 WeakPolarHBondContact CA-OG 3.01Å; V57-S109 PolarHBondContact N-O 3.29Å; S109-T298 WeakPolarHBondContact CB-OG1 3.45Å
110	F	89.1	Confident	79.6	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.8	179.3	-68.1	-80.5	0	0	0	110.4	V57 F59 I62 I73 F77 L84 V108 V113 L130 I241 T298	V57-F110 WeakPolarHBondContact O-CA 3.22Å; F59-F110 HydrophobicContact CD2-CD1 4.16Å; I62-F110 HydrophobicContact CD1-CD1 4.09Å; I62-F110 HydrophobicContact CD1-CE1 3.63Å; I73-F110 HydrophobicContact CG2-CZ 4.32Å; F77-F110 HydrophobicContact CD2-CE2 4.42Å; F77-F110 AromaticContact CE2-CD2 3.53Å; F77-F110 HydrophobicContact CE2-CD2 3.53Å; F77-F110 AromaticContact CE2-CE2 3.31Å; F77-F110 HydrophobicContact CE2-CE2 3.31Å; F77-F110 HydrophobicContact CE2-CZ 4.26Å; F77-F110 AromaticContact CZ-CD2 3.93Å; F77-F110 HydrophobicContact CZ-CD2 3.93Å; F77-F110 AromaticContact CZ-CE2 3.83Å; F77-F110 HydrophobicContact CZ-CE2 3.83Å; L84-F110 HydrophobicContact CD1-CE2 4.36Å; L84-F110 HydrophobicContact CD1-CZ 4.03Å; V108-F110 HydrophobicContact CB-CE2 4.22Å; V108-F110 HydrophobicContact CB-CZ 4.46Å; V108-F110 HydrophobicContact CG1-CD2 4.31Å; V108-F110 HydrophobicContact CG1-CE1 4.1Å; V108-F110 HydrophobicContact CG1-CE2 3.69Å; V108-F110 HydrophobicContact CG1-CZ 3.6Å; F110-V113 HydrophobicContact CB-CG2 4.37Å; F110-L130 HydrophobicContact CB-CD2 4.45Å; F110-L130 HydrophobicContact CD2-CD2 4.49Å; F110-L130 HydrophobicContact CG-CD2 4.34Å; F110-I241 HydrophobicContact CB-CG2 4.42Å; F110-I241 WeakPolarHBondContact O-CD1 3.42Å; F110-T298 PolarHBondContact N-OG1 2.95Å; F110-T298 WeakPolarHBondContact O-CB 3.26Å; F110-T298 PolarHBondContact O-OG1 3.29Å
111	T	84	Confident	81.1	Confident	29 Å²	29	53.7 Å²	53.7	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	157.9	173	56.8	0	0	0	0	110.7	V57 T58 F59 V113 T298 I300	V57-T111 PolarHBondContact O-N 3.4Å; V57-T111 PolarHBondContact O-OG1 3.14Å; T58-T111 WeakPolarHBondContact CA-OG1 3.47Å; T58-T111 PolarHBondContact OG1-OG1 2.75Å; F59-T111 VanDerWaalsContact CB-O 3.25Å; F59-T111 WeakPolarHBondContact CB-O 3.5Å; F59-T111 PolarHBondContact N-O 3.23Å; T111-V113 PolarHBondContact O-N 3.08Å; T111-T298 HydrophobicContact CG2-CG2 4.32Å; T111-I300 HydrophobicContact CG2-CD1 4.49Å
112	D	79.9	Confident	82.7	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.374	25%	0.254	S	S	.	.			trans	56.1	44.3	175	-60.6	-34.3	0	0	0	116.7	T58 T60	T58-D112 HydrophobicContact CG2-CB 3.93Å; T60-D112 HydrophobicContact CG2-CB 4.33Å
113	V	83.3	Confident	84.1	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.036	25%	0.253	C	S	.	.			trans	-72.7	130.3	170.5	-178.5	0	0	0	0	110.4	F59 F110 T111 S115 L130 K132 I241	F59-V113 HydrophobicContact CB-CG2 4.04Å; F59-V113 HydrophobicContact CD2-CG2 4.41Å; F59-V113 HydrophobicContact CG-CG2 4.13Å; F110-V113 HydrophobicContact CB-CG2 4.37Å; T111-V113 PolarHBondContact O-N 3.08Å; V113-S115 VanDerWaalsContact CG1-OG 3.28Å; V113-S115 WeakPolarHBondContact CG1-OG 3.38Å; V113-L130 HydrophobicContact CG2-CD2 3.95Å; V113-L130 HydrophobicContact CG2-CG 4.36Å; V113-K132 WeakPolarHBondContact O-CD 3.31Å; V113-I241 HydrophobicContact CG2-CD1 4.32Å; V113-I241 HydrophobicContact CG2-CG2 3.74Å
114	P	82.5	Confident	85.1	Confident	89 Å²	89	48.9 Å²	48.9	58%	0.578	26%	0.257	S	S	*	.	S	Bend	trans	-75	-23.3	-175.9	27.9	-35.1	0	0	0	114.5	L116	P114-L116 PolarHBondContact O-N 2.88Å
115	S	82.9	Confident	85.9	Confident	33 Å²	33	48.9 Å²	48.9	23%	0.231	27%	0.269	C	S	.	.			trans	-79.4	80.9	-176.2	50.1	0	0	0	0	112.6	V113 H117 K132	V113-S115 VanDerWaalsContact CG1-OG 3.28Å; V113-S115 WeakPolarHBondContact CG1-OG 3.38Å; S115-H117 PolarHBondContact O-CD2 3.12Å; S115-H117 PolarHBondContact O-N 2.95Å; S115-K132 WeakPolarHBondContact O-CB 3.4Å; S115-K132 PolarHBondContact O-N 2.94Å; S115-K132 VanDerWaalsContact O-N 3.16Å
116	L	85	Confident	86.3	Confident	82 Å²	82	47.7 Å²	47.7	43%	0.429	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.1	170.5	-175.3	72.6	0	0	0	110.6	P114 K132 R134	P114-L116 PolarHBondContact O-N 2.88Å; L116-K132 HydrophobicContact CD1-CD 4.31Å; L116-K132 HydrophobicContact CD1-CG 4.09Å; L116-R134 HydrophobicContact CD1-CB 4.25Å
117	H	87.5	Confident	86.6	Confident	53 Å²	53	50.7 Å²	50.7	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.2	176.1	-72.5	-90	0	0	0	111.4	S115 Q126 I131 K132	S115-H117 PolarHBondContact O-CD2 3.12Å; S115-H117 PolarHBondContact O-N 2.95Å; H117-Q126 PolarHBondContact ND1-NE2 3.04Å; H117-I131 HydrophobicContact CB-CG2 3.79Å; H117-K132 PolarHBondContact N-O 3.06Å
118	R	86.3	Confident	86.6	Confident	148 Å²	148	50 Å²	50	56%	0.558	28%	0.281	S	S	*	.			trans	-81.1	155.3	170.7	-56.5	175	-176.2	169.6	2.2	109.3	R120 D121	R118-R120 PolarHBondContact O-N 2.93Å; R118-R120 VanDerWaalsContact O-N 3.11Å; R118-D121 WeakPolarHBondContact CB-OD2 3.23Å; R118-D121 PolarHBondContact N-OD2 2.85Å; R118-D121 WeakPolarHBondContact O-CB 3.41Å; R118-D121 PolarHBondContact O-N 2.92Å
119	M	86.7	Confident	86.7	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.069	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.8	179.5	-61.5	-177.6	60.8	0	0	113.4	D121 L122 V133 A135 V204 Q205 E206 L220	M119-D121 VanDerWaalsContact C-N 3.33Å; M119-L122 WeakPolarHBondContact O-CB 3.33Å; M119-V133 HydrophobicContact CG-CG1 3.77Å; M119-A135 HydrophobicContact SD-CB 3.79Å; M119-V204 HydrophobicContact CE-CG2 4.22Å; M119-Q205 VanDerWaalsContact SD-C 3.55Å; M119-E206 HydrophobicContact CB-CG 3.69Å; M119-E206 HydrophobicContact CE-CG 4.41Å; M119-E206 HydrophobicContact CG-CG 3.99Å; M119-E206 VanDerWaalsContact SD-CA 3.59Å; M119-E206 HydrophobicContact SD-CB 4.21Å; M119-E206 HydrophobicContact SD-CG 3.56Å; M119-E206 VanDerWaalsContact SD-CG 3.56Å; M119-E206 PolarHBondContact SD-N 2.9Å; M119-L220 HydrophobicContact CE-CB 3.34Å; M119-L220 HydrophobicContact CE-CD2 4.27Å; M119-L220 HydrophobicContact CE-CG 4.45Å
120	R	87.4	Confident	86.8	Confident	68 Å²	68	54.9 Å²	54.9	26%	0.257	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-75.4	-21.4	176.8	-60.3	-168.7	-178.2	-113.5	-9.1	113.9	R118 E206 I216	R118-R120 PolarHBondContact O-N 2.93Å; R118-R120 VanDerWaalsContact O-N 3.11Å; R120-E206 WeakPolarHBondContact CG-OE1 3.45Å; R120-E206 IonicContact CZ-OE1 2.82Å; R120-E206 IonicContact CZ-OE2 3.33Å; R120-E206 VanDerWaalsContact CZ-OE2 3.24Å; R120-E206 IonicContact NE-OE1 3.76Å; R120-E206 PolarHBondContact NE-OE1 2.86Å; R120-E206 IonicContact NE-OE2 3.65Å; R120-E206 PolarHBondContact NE-OE2 3.08Å; R120-E206 IonicContact NH2-OE1 2.74Å; R120-E206 IonicContact NH2-OE2 2.75Å; R120-E206 PolarHBondContact NH2-OE2 3.01Å; R120-I216 PolarHBondContact NH2-O 3.32Å
121	D	88.5	Confident	87	Confident	75 Å²	75	55 Å²	55	40%	0.401	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-85.3	-2.7	-179	-56	-27.3	0	0	0	111.7	R118 M119 T123 Q126	R118-D121 WeakPolarHBondContact CB-OD2 3.23Å; R118-D121 PolarHBondContact N-OD2 2.85Å; R118-D121 WeakPolarHBondContact O-CB 3.41Å; R118-D121 PolarHBondContact O-N 2.92Å; M119-D121 VanDerWaalsContact C-N 3.33Å; D121-T123 PolarHBondContact O-N 3.12Å; D121-T123 VanDerWaalsContact O-N 3.08Å; D121-Q126 PolarHBondContact O-NE2 3.45Å; D121-Q126 PolarHBondContact O-OE1 2.77Å
122	L	87	Confident	87.3	Confident	33 Å²	33	54.8 Å²	54.8	17%	0.173	30%	0.295	C	S	.	.			trans	-72.4	96.4	177.4	-61.6	177.6	0	0	0	110.7	M119 I131 V133 L220 L244	M119-L122 WeakPolarHBondContact O-CB 3.33Å; L122-I131 HydrophobicContact CD2-CG2 4.36Å; L122-V133 HydrophobicContact CD1-CG2 4.32Å; L122-V133 HydrophobicContact CD2-CG2 4Å; L122-L220 HydrophobicContact CD1-CD2 3.78Å; L122-L244 HydrophobicContact CD1-CD1 4.31Å
123	T	88.4	Confident	87.8	Confident	68 Å²	68	51.6 Å²	51.6	42%	0.417	28%	0.278	S	S	.	.			trans	-108.4	165.8	178	52.4	0	0	0	0	112	D121 S125 Q126	D121-T123 PolarHBondContact O-N 3.12Å; D121-T123 VanDerWaalsContact O-N 3.08Å; T123-S125 PolarHBondContact O-N 2.83Å; T123-S125 VanDerWaalsContact O-N 3.11Å; T123-S125 PolarHBondContact OG1-OG 3.39Å; T123-Q126 WeakPolarHBondContact O-CB 2.82Å; T123-Q126 PolarHBondContact O-N 3.23Å
124	A	88	Confident	88.1	Confident	78 Å²	78	55.2 Å²	55.2	65%	0.645	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.5	178.4	0	0	0	0	0	114	Q126 L127	A124-Q126 PolarHBondContact O-N 3.41Å; A124-L127 HydrophobicContact CB-CD1 4.24Å; A124-L127 WeakPolarHBondContact O-CB 3.44Å; A124-L127 WeakPolarHBondContact O-CD1 3.33Å; A124-L127 VanDerWaalsContact O-CG 3.27Å; A124-L127 WeakPolarHBondContact O-CG 3.45Å; A124-L127 PolarHBondContact O-N 3.38Å
125	S	88.1	Confident	88.4	Confident	82 Å²	82	51 Å²	51	57%	0.573	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65	-18.2	175	52.4	0	0	0	0	114.2	T123 R129	T123-S125 PolarHBondContact O-N 2.83Å; T123-S125 VanDerWaalsContact O-N 3.11Å; T123-S125 PolarHBondContact OG1-OG 3.39Å; S125-R129 PolarHBondContact O-NE 3.05Å
126	Q	87.4	Confident	88.6	Confident	24 Å²	24	51.6 Å²	51.6	11%	0.112	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-94.6	0.8	-178.1	-78.1	174.2	15.5	0	0	113.1	H117 D121 T123 A124 G128 R129 I131	H117-Q126 PolarHBondContact ND1-NE2 3.04Å; D121-Q126 PolarHBondContact O-NE2 3.45Å; D121-Q126 PolarHBondContact O-OE1 2.77Å; T123-Q126 WeakPolarHBondContact O-CB 2.82Å; T123-Q126 PolarHBondContact O-N 3.23Å; A124-Q126 PolarHBondContact O-N 3.41Å; Q126-G128 PolarHBondContact O-N 3.26Å; Q126-R129 PolarHBondContact O-N 3.24Å; Q126-I131 HydrophobicContact CB-CD1 3.47Å; Q126-I131 VanDerWaalsContact CB-CD1 3.47Å; Q126-I131 HydrophobicContact CG-CD1 3.8Å
127	L	90.7	Very high	88.8	Confident	70 Å²	70	47.8 Å²	47.8	37%	0.366	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-60	132.6	176.6	-72.6	170.7	0	0	0	111.1	A124 R129 L244 V246	A124-L127 HydrophobicContact CB-CD1 4.24Å; A124-L127 WeakPolarHBondContact O-CB 3.44Å; A124-L127 WeakPolarHBondContact O-CD1 3.33Å; A124-L127 VanDerWaalsContact O-CG 3.27Å; A124-L127 WeakPolarHBondContact O-CG 3.45Å; A124-L127 PolarHBondContact O-N 3.38Å; L127-R129 PolarHBondContact O-N 2.86Å; L127-L244 HydrophobicContact CD2-CB 4.17Å; L127-L244 HydrophobicContact CD2-CD2 3.61Å; L127-L244 HydrophobicContact CD2-CG 3.83Å; L127-L244 WeakPolarHBondContact CD2-O 3.29Å; L127-L244 HydrophobicContact CG-CD2 4.14Å; L127-V246 HydrophobicContact CD1-CG2 3.92Å; L127-V246 HydrophobicContact CD2-CG2 3.49Å; L127-V246 VanDerWaalsContact CD2-CG2 3.49Å; L127-V246 HydrophobicContact CG-CG2 4.38Å
128	G	87.7	Confident	88.7	Confident	17 Å²	17	48.3 Å²	48.3	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-1.7	178.5	0	0	0	0	0	116.1	F77 Y78 Q126 L244	F77-G128 WeakPolarHBondContact CB-O 3.24Å; F77-G128 PolarHBondContact N-O 2.96Å; Y78-G128 PolarHBondContact N-O 3.06Å; Q126-G128 PolarHBondContact O-N 3.26Å; G128-L244 PolarHBondContact N-O 2.98Å; G128-L244 VanDerWaalsContact N-O 3.13Å
129	R	91.3	Very high	88.6	Confident	109 Å²	109	46.1 Å²	46.1	41%	0.411	24%	0.241	S	C	.	.	S	Bend	trans	-89.4	152.4	176.8	-60.8	-169.8	-178	-152.6	-9.6	112.4	Q74 D75 S125 Q126 L127 I131 T243	Q74-R129 CarbonylContact O-C 3.58Å; Q74-R129 WeakPolarHBondContact O-CA 3.5Å; Q74-R129 WeakPolarHBondContact O-CB 3.26Å; D75-R129 IonicContact OD1-CZ 2.58Å; D75-R129 IonicContact OD1-NE 3.7Å; D75-R129 IonicContact OD1-NH1 3.56Å; D75-R129 PolarHBondContact OD1-NH1 3.28Å; D75-R129 IonicContact OD1-NH2 2.8Å; S125-R129 PolarHBondContact O-NE 3.05Å; Q126-R129 PolarHBondContact O-N 3.24Å; L127-R129 PolarHBondContact O-N 2.86Å; R129-I131 HydrophobicContact CB-CD1 4.43Å; R129-I131 HydrophobicContact CB-CG1 4.36Å; R129-I131 PolarHBondContact O-N 3.25Å; R129-T243 WeakPolarHBondContact O-CA 3.35Å; R129-T243 WeakPolarHBondContact O-CG2 3.26Å
130	L	91.8	Very high	88.6	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.7	172.8	-173	63.5	0	0	0	110.7	F59 I73 Q74 F77 F110 V113 I241 G242	F59-L130 HydrophobicContact CD2-CD2 4.13Å; F59-L130 HydrophobicContact CE2-CD2 4.08Å; I73-L130 HydrophobicContact CG2-CD2 4.38Å; Q74-L130 PolarHBondContact O-N 2.63Å; F77-L130 HydrophobicContact CB-CB 4.15Å; F77-L130 HydrophobicContact CD2-CB 3.9Å; F77-L130 HydrophobicContact CD2-CD1 3.79Å; F77-L130 HydrophobicContact CD2-CD2 4.12Å; F77-L130 HydrophobicContact CD2-CG 4.14Å; F77-L130 HydrophobicContact CE2-CD1 3.65Å; F77-L130 HydrophobicContact CE2-CD2 4.18Å; F77-L130 HydrophobicContact CE2-CG 4.35Å; F77-L130 HydrophobicContact CG-CB 4.18Å; F77-L130 HydrophobicContact CG-CD1 4.27Å; F77-L130 HydrophobicContact CZ-CD1 4.03Å; F110-L130 HydrophobicContact CB-CD2 4.45Å; F110-L130 HydrophobicContact CD2-CD2 4.49Å; F110-L130 HydrophobicContact CG-CD2 4.34Å; V113-L130 HydrophobicContact CG2-CD2 3.95Å; V113-L130 HydrophobicContact CG2-CG 4.36Å; L130-I241 HydrophobicContact CD1-CG2 3.83Å; L130-I241 HydrophobicContact CG-CG2 4.45Å; L130-G242 WeakPolarHBondContact CA-O 3.48Å
131	I	92.1	Very high	88.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148	-174.3	-65	169.8	0	0	0	109.8	H117 L122 Q126 R129 V133 I241 G242 F294	H117-I131 HydrophobicContact CB-CG2 3.79Å; L122-I131 HydrophobicContact CD2-CG2 4.36Å; Q126-I131 HydrophobicContact CB-CD1 3.47Å; Q126-I131 VanDerWaalsContact CB-CD1 3.47Å; Q126-I131 HydrophobicContact CG-CD1 3.8Å; R129-I131 HydrophobicContact CB-CD1 4.43Å; R129-I131 HydrophobicContact CB-CG1 4.36Å; R129-I131 PolarHBondContact O-N 3.25Å; I131-V133 HydrophobicContact CG2-CG2 3.85Å; I131-I241 WeakPolarHBondContact O-CA 3.48Å; I131-G242 PolarHBondContact N-O 3.06Å; I131-G242 PolarHBondContact O-N 2.86Å; I131-F294 HydrophobicContact CB-CE2 4.48Å
132	K	91.6	Very high	88.7	Confident	25 Å²	25	46.3 Å²	46.3	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	170	-176.9	176.7	179	177	0	110	V113 S115 L116 H117 E239 F240 I241	V113-K132 WeakPolarHBondContact O-CD 3.31Å; S115-K132 WeakPolarHBondContact O-CB 3.4Å; S115-K132 PolarHBondContact O-N 2.94Å; S115-K132 VanDerWaalsContact O-N 3.16Å; L116-K132 HydrophobicContact CD1-CD 4.31Å; L116-K132 HydrophobicContact CD1-CG 4.09Å; H117-K132 PolarHBondContact N-O 3.06Å; K132-E239 VanDerWaalsContact CE-CD 3.4Å; K132-E239 WeakPolarHBondContact CE-OE2 3.37Å; K132-E239 IonicContact NZ-OE2 3.31Å; K132-E239 PolarHBondContact NZ-OE2 3.35Å; K132-F240 CarbonylContact C-O 3.59Å; K132-F240 WeakPolarHBondContact CA-O 3.38Å; K132-I241 HydrophobicContact CB-CG1 4.14Å; K132-I241 HydrophobicContact CD-CD1 4.46Å; K132-I241 HydrophobicContact CD-CG1 4.25Å; K132-I241 HydrophobicContact CG-CG1 3.87Å
133	V	90.7	Very high	88.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.6	178.6	-177.4	0	0	0	0	109.6	M119 L122 I131 E239 F240 F294	M119-V133 HydrophobicContact CG-CG1 3.77Å; L122-V133 HydrophobicContact CD1-CG2 4.32Å; L122-V133 HydrophobicContact CD2-CG2 4Å; I131-V133 HydrophobicContact CG2-CG2 3.85Å; V133-E239 CarbonylContact O-C 3.51Å; V133-E239 WeakPolarHBondContact O-CA 3.46Å; V133-F240 PolarHBondContact N-O 3.31Å; V133-F240 PolarHBondContact O-N 3.23Å; V133-F294 HydrophobicContact CG2-CD2 4.3Å; V133-F294 HydrophobicContact CG2-CE2 3.72Å; V133-F294 HydrophobicContact CG2-CZ 3.96Å
134	R	88.9	Confident	89	Confident	83 Å²	83	50.2 Å²	50.2	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127	171.7	-174	-178.2	-69.1	163.2	-3.5	109.9	L116 T207 E239	L116-R134 HydrophobicContact CD1-CB 4.25Å; R134-T207 HydrophobicContact CG-CG2 4.23Å; R134-E239 HydrophobicContact CG-CG 4.34Å; R134-E239 IonicContact CZ-OE1 3.22Å; R134-E239 IonicContact NE-OE1 3.82Å; R134-E239 PolarHBondContact NE-OE1 2.92Å; R134-E239 VanDerWaalsContact NE-OE1 3.08Å; R134-E239 IonicContact NH2-OE1 2.77Å; R134-E239 PolarHBondContact NH2-OE1 3.31Å
135	A	88.8	Confident	89.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.2	179.5	0	0	0	0	0	111.6	M119 V204 Q205 C238 F240	M119-A135 HydrophobicContact SD-CB 3.79Å; A135-V204 HydrophobicContact CB-CB 3.69Å; A135-V204 HydrophobicContact CB-CG2 3.69Å; A135-Q205 WeakPolarHBondContact CA-O 3.29Å; A135-Q205 WeakPolarHBondContact CB-O 3.49Å; A135-C238 PolarHBondContact N-O 2.63Å; A135-C238 PolarHBondContact O-N 3.38Å; A135-C238 VanDerWaalsContact O-O 3.1Å; A135-F240 HydrophobicContact CB-CD2 4.35Å; A135-F240 HydrophobicContact CB-CE2 4.19Å
136	Q	87.5	Confident	89.2	Confident	45 Å²	45	48.2 Å²	48.2	21%	0.21	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.8	171.6	-173.4	172.6	10.6	0	0	109.8	V204 Q205 G235 D236	Q136-V204 CarbonylContact O-C 3.55Å; Q136-V204 VanDerWaalsContact O-CA 3.26Å; Q136-V204 WeakPolarHBondContact O-CA 3.36Å; Q136-Q205 PolarHBondContact N-O 2.82Å; Q136-Q205 PolarHBondContact O-N 2.89Å; Q136-G235 PolarHBondContact NE2-O 3.44Å; Q136-D236 CarbonylContact C-O 3.35Å; Q136-D236 WeakPolarHBondContact CA-O 3.13Å
137	V	88.7	Confident	89.3	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.3	176.6	-177.6	0	0	0	0	109.7	V202 V204 A232 Q233 G235 D236 F240	V137-V202 HydrophobicContact CB-CG1 4.36Å; V137-V202 HydrophobicContact CG1-CG1 3.41Å; V137-V202 VanDerWaalsContact CG1-CG1 3.41Å; V137-V202 HydrophobicContact CG2-CG1 4.14Å; V137-V204 HydrophobicContact CG2-CG1 4.37Å; V137-A232 HydrophobicContact CG2-CB 4.11Å; V137-Q233 WeakPolarHBondContact CB-O 3.35Å; V137-G235 PolarHBondContact O-N 2.82Å; V137-D236 PolarHBondContact N-O 2.89Å; V137-F240 HydrophobicContact CG2-CZ 3.94Å
138	V	85.9	Confident	89.1	Confident	64 Å²	64	47.1 Å²	47.1	39%	0.388	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-45.6	177.6	-173.4	0	0	0	0	110.7	R203 Q205	V138-R203 PolarHBondContact N-O 3.37Å; V138-Q205 HydrophobicContact CG2-CB 3.48Å; V138-Q205 VanDerWaalsContact CG2-CB 3.48Å
139	R	84.1	Confident	89.1	Confident	103 Å²	103	48.3 Å²	48.3	39%	0.389	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.7	-178.8	-66.3	-175.4	176.7	170.9	-3.9	110.2	R203 E443	R139-R203 HydrophobicContact CB-CB 4.38Å; R139-R203 PolarHBondContact N-O 3.5Å; R139-R203 PolarHBondContact O-N 3.18Å; R139-E443 IonicContact CZ-OE1 3.72Å; R139-E443 IonicContact NE-OE1 3.28Å; R139-E443 IonicContact NH2-OE1 2.62Å; R139-E443 PolarHBondContact NH2-OE1 3.47Å
140	A	87.1	Confident	88.9	Confident	38 Å²	38	43.1 Å²	43.1	31%	0.314	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.6	168.7	0	0	0	0	0	108.4	V202	A140-V202 HydrophobicContact CB-CG2 4.44Å
141	H	87.3	Confident	88.9	Confident	37 Å²	37	43.1 Å²	43.1	17%	0.171	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-81.4	158	171.8	-71	-99.4	0	0	0	110	Q200 K201 E436	H141-Q200 VanDerWaalsContact O-CG 3.31Å; H141-Q200 WeakPolarHBondContact O-CG 3.27Å; H141-Q200 PolarHBondContact O-NE2 2.82Å; H141-Q200 VanDerWaalsContact O-NE2 3.17Å; H141-K201 HydrophobicContact CB-CB 4.22Å; H141-K201 VanDerWaalsContact CB-O 3.29Å; H141-K201 WeakPolarHBondContact CB-O 3.44Å; H141-K201 PolarHBondContact CD2-O 2.93Å; H141-K201 PolarHBondContact N-O 2.83Å; H141-E436 IonicContact CE1-OE2 2.87Å; H141-E436 PolarHBondContact CE1-OE2 3.46Å; H141-E436 VanDerWaalsContact CE1-OE2 3.27Å
142	P	89	Confident	88.7	Confident	85 Å²	85	43 Å²	43	55%	0.552	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-60.1	156.5	172.4	26.3	-35.3	0	0	0	111.5
143	I	91.5	Very high	88.7	Confident	76 Å²	76	46 Å²	46	39%	0.39	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-74.1	131.6	-179.6	-51.8	171.5	0	0	0	108.9	D198 V229 D230	I143-D198 HydrophobicContact CG2-CB 3.89Å; I143-V229 HydrophobicContact CB-CG1 4.19Å; I143-V229 HydrophobicContact CD1-CG1 3.34Å; I143-V229 HydrophobicContact CG1-CG1 3.38Å; I143-V229 HydrophobicContact CG2-CG1 3.83Å; I143-D230 HydrophobicContact CD1-CB 4.35Å
144	H	90.2	Very high	88.5	Confident	108 Å²	108	45.9 Å²	45.9	50%	0.5	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.5	176.1	-70.5	-58.5	0	0	0	110.7	E146 F199	H144-E146 PolarHBondContact O-N 3.32Å; H144-F199 PolarHBondContact N-O 3.22Å; H144-F199 WeakPolarHBondContact O-CA 3.19Å; H144-F199 WeakPolarHBondContact O-CB 3.3Å; H144-F199 PolarHBondContact O-N 2.87Å; H144-F199 VanDerWaalsContact O-O 3.08Å
145	P	91.3	Very high	88.4	Confident	88 Å²	88	44.9 Å²	44.9	57%	0.571	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.8	173.3	28.6	-32.7	0	0	0	110.6	F196	P145-F196 HydrophobicContact CB-CB 4.48Å
146	E	89.9	Confident	88.2	Confident	30 Å²	30	50.6 Å²	50.6	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.5	172	-177.3	179.6	-163.2	0	0	110	H144 L148 F196 V197 F199 R225	H144-E146 PolarHBondContact O-N 3.32Å; E146-L148 PolarHBondContact O-N 3.5Å; E146-F196 CarbonylContact O-C 3.52Å; E146-F196 VanDerWaalsContact O-CA 3.27Å; E146-F196 WeakPolarHBondContact O-CA 3.16Å; E146-V197 PolarHBondContact N-O 3.25Å; E146-V197 PolarHBondContact O-N 2.95Å; E146-F199 HydrophobicContact CB-CB 3.65Å; E146-F199 HydrophobicContact CB-CG 4.34Å; E146-R225 IonicContact OE1-CZ 3.66Å; E146-R225 IonicContact OE1-NH2 3.33Å; E146-R225 PolarHBondContact OE1-NH2 3.5Å; E146-R225 IonicContact OE2-CZ 3.85Å; E146-R225 IonicContact OE2-NE 2.94Å; E146-R225 PolarHBondContact OE2-NE 3.18Å; E146-R225 IonicContact OE2-NH2 3.22Å; E146-R225 PolarHBondContact OE2-NH2 3.45Å
147	L	89.8	Confident	88	Confident	27 Å²	27	50.1 Å²	50.1	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.8	172.3	178.7	70.5	0	0	0	109.3	Q166 L189 F196	L147-Q166 HydrophobicContact CD2-CG 3.82Å; L147-Q166 HydrophobicContact CG-CG 3.9Å; L147-Q166 VanDerWaalsContact O-CB 3.29Å; L147-Q166 WeakPolarHBondContact O-CB 3.49Å; L147-L189 HydrophobicContact CD2-CD1 4.01Å; L147-L189 HydrophobicContact CD2-CD2 3.88Å; L147-F196 HydrophobicContact CB-CD1 4.08Å; L147-F196 HydrophobicContact CB-CE1 3.87Å; L147-F196 HydrophobicContact CD1-CD1 4.02Å; L147-F196 HydrophobicContact CD1-CE1 3.53Å; L147-F196 HydrophobicContact CD1-CE2 4.41Å; L147-F196 HydrophobicContact CD1-CZ 3.75Å; L147-F196 HydrophobicContact CG-CE1 4.27Å
148	L	85.6	Confident	87.8	Confident	43 Å²	43	56.6 Å²	56.6	23%	0.225	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-48.4	175.2	-72	-170	0	0	0	112	E146 Q166 K195 V197	E146-L148 PolarHBondContact O-N 3.5Å; L148-Q166 PolarHBondContact O-N 3.02Å; L148-K195 PolarHBondContact N-O 3.2Å; L148-V197 HydrophobicContact CD1-CB 4.12Å; L148-V197 HydrophobicContact CD1-CG2 3.32Å; L148-V197 HydrophobicContact CG-CB 4.21Å; L148-V197 HydrophobicContact CG-CG2 3.77Å
149	M	87.7	Confident	87.9	Confident	43 Å²	43	56.6 Å²	56.6	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.6	-179.3	-54.1	-170.7	96.3	0	0	109.9	N163 E165 K195	M149-N163 HydrophobicContact CE-CB 3.66Å; M149-E165 HydrophobicContact CE-CG 3.99Å; M149-K195 HydrophobicContact CB-CB 4.12Å; M149-K195 HydrophobicContact CB-CD 4.32Å; M149-K195 HydrophobicContact CB-CG 4.39Å; M149-K195 HydrophobicContact CG-CD 4.28Å; M149-K195 PolarHBondContact N-O 2.54Å; M149-K195 PolarHBondContact O-N 3.39Å; M149-K195 HydrophobicContact SD-CD 3.92Å
150	G	87.8	Confident	88	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.9	176	0	0	0	0	0	111.8	V164	G150-V164 PolarHBondContact N-O 2.93Å; G150-V164 WeakPolarHBondContact O-CB 3.27Å; G150-V164 PolarHBondContact O-N 3.5Å
151	T	90.5	Very high	88	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.9	166.4	-64.8	0	0	0	0	108.6	V160 I161 R162 L190 E193 S194	T151-V160 HydrophobicContact CG2-CG1 3.23Å; T151-I161 CarbonylContact C-O 3.41Å; T151-I161 WeakPolarHBondContact CA-O 2.91Å; T151-R162 HydrophobicContact CG2-CB 4.47Å; T151-R162 HydrophobicContact CG2-CG 3.75Å; T151-L190 HydrophobicContact CG2-CB 4.4Å; T151-L190 HydrophobicContact CG2-CD1 4.37Å; T151-L190 PolarHBondContact O-N 3.16Å; T151-E193 HydrophobicContact CG2-CB 3.92Å; T151-E193 PolarHBondContact OG1-O 3.13Å; T151-S194 PolarHBondContact N-OG 3.43Å; T151-S194 VanDerWaalsContact N-OG 3.08Å
152	F	89.9	Confident	87.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.7	-173.6	-69.3	-86.5	0	0	0	111.9	V160 I161 V164 Y170 T171 Q172 P173 F187 E188 L189	F152-V160 CarbonylContact O-C 3.59Å; F152-V160 WeakPolarHBondContact O-CA 3.42Å; F152-I161 HydrophobicContact CB-CB 4.43Å; F152-I161 PolarHBondContact N-O 2.99Å; F152-I161 WeakPolarHBondContact O-CB 3.44Å; F152-I161 PolarHBondContact O-N 2.84Å; F152-V164 HydrophobicContact CD2-CB 3.78Å; F152-V164 HydrophobicContact CD2-CG1 4.22Å; F152-V164 HydrophobicContact CD2-CG2 3.73Å; F152-V164 HydrophobicContact CE2-CB 3.7Å; F152-V164 HydrophobicContact CE2-CG1 3.83Å; F152-V164 HydrophobicContact CE2-CG2 4.17Å; F152-Y170 HydrophobicContact CE1-CE2 4.21Å; F152-Y170 AromaticContact CE1-CZ 3.96Å; F152-Y170 WeakPolarHBondContact CE1-OH 3.49Å; F152-Y170 HydrophobicContact CZ-CE2 4.17Å; F152-T171 WeakPolarHBondContact CZ-O 3.36Å; F152-Q172 HydrophobicContact CE1-CG 4.07Å; F152-P173 HydrophobicContact CB-CG 3.96Å; F152-P173 HydrophobicContact CD2-CG 4.16Å; F152-P173 HydrophobicContact CG-CG 4.02Å; F152-F187 HydrophobicContact CB-CB 4.22Å; F152-F187 HydrophobicContact CD1-CB 3.97Å; F152-F187 HydrophobicContact CG-CB 4.44Å; F152-E188 CarbonylContact C-O 3.6Å; F152-E188 WeakPolarHBondContact CA-O 3.31Å; F152-L189 HydrophobicContact CD1-CB 4.32Å; F152-L189 HydrophobicContact CD1-CD1 4.18Å; F152-L189 HydrophobicContact CE1-CB 4.18Å; F152-L189 HydrophobicContact CE1-CD1 3.85Å; F152-L189 HydrophobicContact CE2-CD1 4.24Å; F152-L189 HydrophobicContact CZ-CD1 3.89Å
153	R	89.7	Confident	87.6	Confident	89 Å²	89	58.8 Å²	58.8	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.6	170.7	-171.5	-176	-170.7	-176.5	6.5	110	S155 V160 E188 L190	R153-S155 PolarHBondContact O-N 2.85Å; R153-V160 HydrophobicContact CG-CG2 4.43Å; R153-E188 PolarHBondContact N-O 3.38Å; R153-E188 PolarHBondContact O-N 3.2Å; R153-L190 HydrophobicContact CB-CD1 4.05Å; R153-L190 HydrophobicContact CB-CD2 4.38Å; R153-L190 HydrophobicContact CB-CG 4.03Å
154	C	88.1	Confident	87.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.9	172.7	-178.7	0	0	0	0	110.6	E156 C157 K158 I159 N183 F187	C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 3.36Å; C154-C157 WeakPolarHBondContact CB-SG 3.32Å; C154-C157 PolarHBondContact SG-SG 2.85Å; C154-K158 WeakPolarHBondContact O-CA 3.47Å; C154-K158 PolarHBondContact O-N 2.99Å; C154-I159 PolarHBondContact N-O 3.14Å; C154-N183 PolarHBondContact SG-ND2 3.34Å; C154-F187 HydrophobicContact CB-CD1 4.16Å; C154-F187 HydrophobicContact CB-CE1 3.99Å
155	S	86.5	Confident	86.9	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.5	-178.9	-53.4	0	0	0	0	113.7	R153 K186	R153-S155 PolarHBondContact O-N 2.85Å; S155-K186 PolarHBondContact N-O 3.05Å; S155-K186 PolarHBondContact OG-O 2.88Å
156	E	84.3	Confident	86.5	Confident	119 Å²	119	54.3 Å²	54.3	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-56.1	-177.4	-68.2	-178.5	-174.4	0	0	112.4	C154 N183	C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 3.36Å; E156-N183 HydrophobicContact CG-CB 4.24Å
157	C	83.6	Confident	85.9	Confident	35 Å²	35	56.7 Å²	56.7	24%	0.236	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.8	-175.9	65.5	0	0	0	0	113.9	C154 I159 C176 C181	C154-C157 WeakPolarHBondContact CB-SG 3.32Å; C154-C157 PolarHBondContact SG-SG 2.85Å; C157-I159 HydrophobicContact CB-CD1 4.2Å; C157-I159 HydrophobicContact CB-CG1 4.49Å; C157-I159 PolarHBondContact O-N 3.41Å; C157-C176 PolarHBondContact SG-SG 2.85Å; C157-C181 HydrophobicContact CB-CB 4.12Å
158	K	84.4	Confident	85.1	Confident	139 Å²	139	57.8 Å²	57.8	60%	0.604	29%	0.286	S	S	*	.			trans	58.8	9.6	-177.8	-62.3	178.8	178.4	177.8	0	115.4	C154	C154-K158 WeakPolarHBondContact O-CA 3.47Å; C154-K158 PolarHBondContact O-N 2.99Å
159	I	86.8	Confident	84.8	Confident	64 Å²	64	60.3 Å²	60.3	33%	0.328	30%	0.295	S	S	.	.			trans	-71.6	137	176	-70.8	161.8	0	0	0	109.6	C154 C157 N178	C154-I159 PolarHBondContact N-O 3.14Å; C157-I159 HydrophobicContact CB-CD1 4.2Å; C157-I159 HydrophobicContact CB-CG1 4.49Å; C157-I159 PolarHBondContact O-N 3.41Å; I159-N178 HydrophobicContact CD1-CB 3.57Å
160	V	87	Confident	84.5	Confident	54 Å²	54	63.7 Å²	63.7	33%	0.327	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.8	179.6	-176.6	0	0	0	0	109.3	T151 F152 R153 R162 L190	T151-V160 HydrophobicContact CG2-CG1 3.23Å; F152-V160 CarbonylContact O-C 3.59Å; F152-V160 WeakPolarHBondContact O-CA 3.42Å; R153-V160 HydrophobicContact CG-CG2 4.43Å; V160-R162 HydrophobicContact CG1-CG 4.03Å; V160-L190 HydrophobicContact CG1-CD1 4Å; V160-L190 HydrophobicContact CG2-CD1 3.96Å
161	I	86.5	Confident	84.3	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	103.4	176.7	-55.9	178.2	0	0	0	106.1	T151 F152 V164 P173 F177 F187	T151-I161 CarbonylContact C-O 3.41Å; T151-I161 WeakPolarHBondContact CA-O 2.91Å; F152-I161 HydrophobicContact CB-CB 4.43Å; F152-I161 PolarHBondContact N-O 2.99Å; F152-I161 WeakPolarHBondContact O-CB 3.44Å; F152-I161 PolarHBondContact O-N 2.84Å; I161-V164 HydrophobicContact CG2-CG2 3.65Å; I161-P173 HydrophobicContact CD1-CB 4.15Å; I161-P173 HydrophobicContact CD1-CG 3.94Å; I161-F177 HydrophobicContact CB-CD2 4.24Å; I161-F177 HydrophobicContact CB-CE2 4.18Å; I161-F177 HydrophobicContact CG1-CD2 3.82Å; I161-F177 HydrophobicContact CG1-CE2 4.26Å; I161-F177 HydrophobicContact CG2-CD2 4.03Å; I161-F177 HydrophobicContact CG2-CE2 3.58Å; I161-F177 HydrophobicContact CG2-CZ 4.37Å; I161-F187 HydrophobicContact CD1-CD1 4.14Å; I161-F187 HydrophobicContact CD1-CE1 3.68Å
162	R	85.8	Confident	83.9	Confident	150 Å²	150	69.3 Å²	69.3	57%	0.566	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	159.1	179.6	-65.6	-178.6	172.2	169.9	-1.1	111.2	T151 V160 E193	T151-R162 HydrophobicContact CG2-CB 4.47Å; T151-R162 HydrophobicContact CG2-CG 3.75Å; V160-R162 HydrophobicContact CG1-CG 4.03Å; R162-E193 IonicContact CZ-OE2 3.82Å; R162-E193 IonicContact NE-OE2 3.04Å; R162-E193 PolarHBondContact NE-OE2 3.43Å; R162-E193 IonicContact NH2-OE1 3.03Å; R162-E193 PolarHBondContact NH2-OE1 3.29Å; R162-E193 IonicContact NH2-OE2 3.37Å; R162-E193 PolarHBondContact NH2-OE2 3.25Å
163	N	82.1	Confident	83.5	Confident	98 Å²	98	70.1 Å²	70.1	52%	0.524	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.4	42.1	168.4	-58	-19.9	0	0	0	114.8	M149 E165	M149-N163 HydrophobicContact CE-CB 3.66Å; N163-E165 PolarHBondContact O-N 3.07Å
164	V	83.9	Confident	83.1	Confident	27 Å²	27	70.9 Å²	70.9	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.6	171.1	-178	0	0	0	0	109	G150 F152 I161 Q166	G150-V164 PolarHBondContact N-O 2.93Å; G150-V164 WeakPolarHBondContact O-CB 3.27Å; G150-V164 PolarHBondContact O-N 3.5Å; F152-V164 HydrophobicContact CD2-CB 3.78Å; F152-V164 HydrophobicContact CD2-CG1 4.22Å; F152-V164 HydrophobicContact CD2-CG2 3.73Å; F152-V164 HydrophobicContact CE2-CB 3.7Å; F152-V164 HydrophobicContact CE2-CG1 3.83Å; F152-V164 HydrophobicContact CE2-CG2 4.17Å; I161-V164 HydrophobicContact CG2-CG2 3.65Å; V164-Q166 PolarHBondContact O-NE2 2.85Å; V164-Q166 VanDerWaalsContact O-NE2 3.14Å
165	E	84.6	Confident	82.9	Confident	134 Å²	134	75.7 Å²	75.7	63%	0.626	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	141.1	176.7	-67.4	172.4	-169.9	0	0	111.5	M149 N163 P167 T171	M149-E165 HydrophobicContact CE-CG 3.99Å; N163-E165 PolarHBondContact O-N 3.07Å; E165-P167 WeakPolarHBondContact O-CD 3.47Å; E165-T171 PolarHBondContact O-OG1 3.49Å; E165-T171 VanDerWaalsContact O-OG1 3.14Å
166	Q	81.6	Confident	82.6	Confident	17 Å²	17	73 Å²	73	8%	0.079	37%	0.366	C	S	.	.			trans	-113.7	90.3	178.8	-57.1	-63.1	-52.2	0	0	109.5	L147 L148 V164 F168 K169 T171	L147-Q166 HydrophobicContact CD2-CG 3.82Å; L147-Q166 HydrophobicContact CG-CG 3.9Å; L147-Q166 VanDerWaalsContact O-CB 3.29Å; L147-Q166 WeakPolarHBondContact O-CB 3.49Å; L148-Q166 PolarHBondContact O-N 3.02Å; V164-Q166 PolarHBondContact O-NE2 2.85Å; V164-Q166 VanDerWaalsContact O-NE2 3.14Å; Q166-F168 PolarHBondContact O-N 2.63Å; Q166-K169 PolarHBondContact OE1-O 3.29Å; Q166-T171 PolarHBondContact NE2-O 2.82Å; Q166-T171 PolarHBondContact OE1-O 3.18Å; Q166-T171 PolarHBondContact OE1-OG1 3.44Å
167	P	77.3	Confident	82.3	Confident	80 Å²	80	74 Å²	74	52%	0.519	37%	0.368	S	S	.	.			trans	-78.4	85	-178.2	30.8	-34	0	0	0	110.9	E165 K169 T171	E165-P167 WeakPolarHBondContact O-CD 3.47Å; P167-K169 PolarHBondContact O-N 3.1Å; P167-T171 HydrophobicContact CG-CG2 4.45Å
168	F	74	Confident	82.2	Confident	51 Å²	51	74.1 Å²	74.1	22%	0.224	37%	0.367	C	S	.	.	S	Bend	trans	50.1	16	178.5	-56.6	-72	0	0	0	115.4	Q166 I245	Q166-F168 PolarHBondContact O-N 2.63Å; F168-I245 HydrophobicContact CE1-CD1 4.06Å; F168-I245 HydrophobicContact CE2-CD1 3.92Å; F168-I245 HydrophobicContact CZ-CD1 3.49Å; F168-I245 VanDerWaalsContact CZ-CD1 3.49Å
169	K	78.3	Confident	82	Confident	95 Å²	95	73.6 Å²	73.6	41%	0.413	38%	0.378	S	S	.	.	S	Bend	trans	-149	141.4	-179.4	177.8	-179.6	176.5	-178.2	0	107	Q166 P167 T171 V250	Q166-K169 PolarHBondContact OE1-O 3.29Å; P167-K169 PolarHBondContact O-N 3.1Å; K169-T171 HydrophobicContact CB-CG2 4.48Å; K169-T171 HydrophobicContact CD-CG2 4.46Å; K169-T171 HydrophobicContact CG-CG2 4.38Å; K169-T171 PolarHBondContact O-N 3.38Å; K169-V250 HydrophobicContact CD-CG1 4.38Å; K169-V250 HydrophobicContact CG-CG1 4.3Å
170	Y	82.7	Confident	81.7	Confident	114 Å²	114	78.9 Å²	78.9	45%	0.447	40%	0.401	S	S	.	.			trans	-66.4	107.1	168.7	-173.8	-107.3	0	0	0	110.2	F152 Q172 L189	F152-Y170 HydrophobicContact CE1-CE2 4.21Å; F152-Y170 AromaticContact CE1-CZ 3.96Å; F152-Y170 WeakPolarHBondContact CE1-OH 3.49Å; F152-Y170 HydrophobicContact CZ-CE2 4.17Å; Y170-Q172 HydrophobicContact CD1-CG 4.29Å; Y170-Q172 HydrophobicContact CE1-CG 3.58Å; Y170-L189 HydrophobicContact CE2-CD2 4.39Å
171	T	82.7	Confident	81.2	Confident	42 Å²	42	77.1 Å²	77.1	26%	0.258	39%	0.391	S	S	.	.			trans	-113.7	113.2	179.6	46.9	0	0	0	0	109.9	F152 E165 Q166 P167 K169	F152-T171 WeakPolarHBondContact CZ-O 3.36Å; E165-T171 PolarHBondContact O-OG1 3.49Å; E165-T171 VanDerWaalsContact O-OG1 3.14Å; Q166-T171 PolarHBondContact NE2-O 2.82Å; Q166-T171 PolarHBondContact OE1-O 3.18Å; Q166-T171 PolarHBondContact OE1-OG1 3.44Å; P167-T171 HydrophobicContact CG-CG2 4.45Å; K169-T171 HydrophobicContact CB-CG2 4.48Å; K169-T171 HydrophobicContact CD-CG2 4.46Å; K169-T171 HydrophobicContact CG-CG2 4.38Å; K169-T171 PolarHBondContact O-N 3.38Å
172	Q	82.7	Confident	80.9	Confident	79 Å²	79	80 Å²	80	37%	0.369	42%	0.423	S	S	.	.			trans	-81.5	147.2	169.5	-66.2	178.1	-18	0	0	110	F152 Y170 T174 L185	F152-Q172 HydrophobicContact CE1-CG 4.07Å; Y170-Q172 HydrophobicContact CD1-CG 4.29Å; Y170-Q172 HydrophobicContact CE1-CG 3.58Å; Q172-T174 PolarHBondContact O-N 3.34Å; Q172-L185 PolarHBondContact OE1-O 3.06Å
173	P	81.2	Confident	80.6	Confident	17 Å²	17	73.4 Å²	73.4	11%	0.11	40%	0.398	C	S	.	.			trans	-61.9	138.2	173	25.8	-32.1	0	0	0	109.7	F152 I161 F187	F152-P173 HydrophobicContact CB-CG 3.96Å; F152-P173 HydrophobicContact CD2-CG 4.16Å; F152-P173 HydrophobicContact CG-CG 4.02Å; I161-P173 HydrophobicContact CD1-CB 4.15Å; I161-P173 HydrophobicContact CD1-CG 3.94Å; P173-F187 HydrophobicContact CG-CB 4.27Å; P173-F187 HydrophobicContact CG-CD1 3.77Å; P173-F187 HydrophobicContact CG-CD2 3.89Å; P173-F187 HydrophobicContact CG-CE1 4.04Å; P173-F187 HydrophobicContact CG-CE2 4.16Å; P173-F187 HydrophobicContact CG-CG 3.69Å; P173-F187 HydrophobicContact CG-CZ 4.22Å; P173-F187 WeakPolarHBondContact O-CD2 3.22Å; P173-F187 WeakPolarHBondContact O-CE2 3.34Å
174	T	81.6	Confident	80.4	Confident	106 Å²	106	77.6 Å²	77.6	65%	0.65	41%	0.407	S	S	*	.	S	Bend	trans	-87.7	-18.4	-177.9	51	0	0	0	0	113.4	Q172 R184	Q172-T174 PolarHBondContact O-N 3.34Å; T174-R184 WeakPolarHBondContact O-CB 3.5Å; T174-R184 WeakPolarHBondContact O-CG 3.44Å
175	V	83.5	Confident	80.2	Confident	101 Å²	101	82.9 Å²	82.9	61%	0.612	43%	0.433	S	S	*	.	S	Bend	trans	-137.9	132.8	-176.4	-175.2	0	0	0	0	108.7
176	C	80.4	Confident	80.2	Confident	6 Å²	6	83.2 Å²	83.2	4%	0.041	43%	0.433	C	S	.	.			trans	-75	144.6	172.4	-171.2	0	0	0	0	110.8	C157 N178 C181 F187	C157-C176 PolarHBondContact SG-SG 2.85Å; C176-N178 PolarHBondContact O-N 2.76Å; C176-C181 HydrophobicContact CB-CB 4.04Å; C176-F187 HydrophobicContact CB-CE1 4.21Å; C176-F187 HydrophobicContact CB-CZ 4.26Å
177	F	78.9	Confident	80.4	Confident	138 Å²	138	83 Å²	83	61%	0.605	43%	0.431	S	S	*	.	S	Bend	trans	-61	-22.8	175.3	-79.5	-54	0	0	0	113.9	I161 P179	I161-F177 HydrophobicContact CB-CD2 4.24Å; I161-F177 HydrophobicContact CB-CE2 4.18Å; I161-F177 HydrophobicContact CG1-CD2 3.82Å; I161-F177 HydrophobicContact CG1-CE2 4.26Å; I161-F177 HydrophobicContact CG2-CD2 4.03Å; I161-F177 HydrophobicContact CG2-CE2 3.58Å; I161-F177 HydrophobicContact CG2-CZ 4.37Å; F177-P179 VanDerWaalsContact O-CD 3.3Å; F177-P179 WeakPolarHBondContact O-CD 3.33Å
178	N	79.5	Confident	81	Confident	39 Å²	39	84.1 Å²	84.1	21%	0.209	43%	0.43	C	S	.	.	S	Bend	trans	-78.8	115.4	175.9	-173	-4.1	0	0	0	110	I159 C176 Q180 C181	I159-N178 HydrophobicContact CD1-CB 3.57Å; C176-N178 PolarHBondContact O-N 2.76Å; N178-Q180 PolarHBondContact O-N 2.97Å; N178-Q180 VanDerWaalsContact O-N 3.1Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 PolarHBondContact OD1-N 3.03Å; N178-C181 HydrophobicContact CB-CB 3.92Å; N178-C181 PolarHBondContact O-N 3.12Å
179	P	80.2	Confident	81.7	Confident	128 Å²	128	83.8 Å²	83.8	83%	0.831	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	178.6	26.5	-35.4	0	0	0	112.9	F177	F177-P179 VanDerWaalsContact O-CD 3.3Å; F177-P179 WeakPolarHBondContact O-CD 3.33Å
180	Q	81	Confident	82.3	Confident	174 Å²	174	81.3 Å²	81.3	81%	0.813	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.2	175.9	-60.2	-177.1	-21	0	0	113.3	N178	N178-Q180 PolarHBondContact O-N 2.97Å; N178-Q180 VanDerWaalsContact O-N 3.1Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 PolarHBondContact OD1-N 3.03Å
181	C	77.8	Confident	82.6	Confident	18 Å²	18	79.5 Å²	79.5	12%	0.122	42%	0.422	C	S	.	.			trans	-93.6	111.9	-178	-173.7	0	0	0	0	110.1	C157 C176 N178 N183	C157-C181 HydrophobicContact CB-CB 4.12Å; C176-C181 HydrophobicContact CB-CB 4.04Å; N178-C181 HydrophobicContact CB-CB 3.92Å; N178-C181 PolarHBondContact O-N 3.12Å; C181-N183 PolarHBondContact O-N 3.38Å; C181-N183 VanDerWaalsContact SG-CB 3.56Å
182	G	79.6	Confident	82.8	Confident	67 Å²	67	85.1 Å²	85.1	69%	0.691	45%	0.451	S	S	*	.			trans	-78	2.6	177.2	0	0	0	0	0	114.7
183	N	79.3	Confident	83	Confident	10 Å²	10	85.6 Å²	85.6	5%	0.053	45%	0.453	C	S	.	.			trans	-70.5	130.4	-176.7	-169	6.6	0	0	0	112	C154 E156 C181 L185 K186	C154-N183 PolarHBondContact SG-ND2 3.34Å; E156-N183 HydrophobicContact CG-CB 4.24Å; C181-N183 PolarHBondContact O-N 3.38Å; C181-N183 VanDerWaalsContact SG-CB 3.56Å; N183-L185 PolarHBondContact OD1-N 3.32Å; N183-K186 PolarHBondContact ND2-O 3.21Å; N183-K186 PolarHBondContact OD1-N 3.49Å
184	R	78.5	Confident	83.3	Confident	186 Å²	186	85.4 Å²	85.4	70%	0.702	45%	0.452	S	S	*	.	S	Bend	trans	-125.8	-8.1	179.9	-62.3	-174.3	178.5	-176.2	-1.9	114.6	T174	T174-R184 WeakPolarHBondContact O-CB 3.5Å; T174-R184 WeakPolarHBondContact O-CG 3.44Å
185	L	79.5	Confident	83.5	Confident	139 Å²	139	83.5 Å²	83.5	73%	0.728	44%	0.435	S	S	*	.	S	Bend	trans	-128.8	-32.2	-169.6	-65.9	172.1	0	0	0	113	Q172 N183 F187	Q172-L185 PolarHBondContact OE1-O 3.06Å; N183-L185 PolarHBondContact OD1-N 3.32Å; L185-F187 PolarHBondContact O-N 3.39Å
186	K	83.8	Confident	83.7	Confident	140 Å²	140	83.2 Å²	83.2	61%	0.609	43%	0.426	S	S	*	.			trans	-97.3	82.5	-171.1	-63.2	-178.4	-179.7	178.4	0	110.8	S155 N183	S155-K186 PolarHBondContact N-O 3.05Å; S155-K186 PolarHBondContact OG-O 2.88Å; N183-K186 PolarHBondContact ND2-O 3.21Å; N183-K186 PolarHBondContact OD1-N 3.49Å
187	F	86.6	Confident	84.1	Confident	12 Å²	12	83.6 Å²	83.6	5%	0.053	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.8	171.8	-63.9	-79	0	0	0	109.7	F152 C154 I161 P173 C176 L185	F152-F187 HydrophobicContact CB-CB 4.22Å; F152-F187 HydrophobicContact CD1-CB 3.97Å; F152-F187 HydrophobicContact CG-CB 4.44Å; C154-F187 HydrophobicContact CB-CD1 4.16Å; C154-F187 HydrophobicContact CB-CE1 3.99Å; I161-F187 HydrophobicContact CD1-CD1 4.14Å; I161-F187 HydrophobicContact CD1-CE1 3.68Å; P173-F187 HydrophobicContact CG-CB 4.27Å; P173-F187 HydrophobicContact CG-CD1 3.77Å; P173-F187 HydrophobicContact CG-CD2 3.89Å; P173-F187 HydrophobicContact CG-CE1 4.04Å; P173-F187 HydrophobicContact CG-CE2 4.16Å; P173-F187 HydrophobicContact CG-CG 3.69Å; P173-F187 HydrophobicContact CG-CZ 4.22Å; P173-F187 WeakPolarHBondContact O-CD2 3.22Å; P173-F187 WeakPolarHBondContact O-CE2 3.34Å; C176-F187 HydrophobicContact CB-CE1 4.21Å; C176-F187 HydrophobicContact CB-CZ 4.26Å; L185-F187 PolarHBondContact O-N 3.39Å
188	E	88.6	Confident	84.7	Confident	105 Å²	105	81.3 Å²	81.3	49%	0.491	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.1	176.1	-175.2	-179.1	-174	0	0	108.8	F152 R153	F152-E188 CarbonylContact C-O 3.6Å; F152-E188 WeakPolarHBondContact CA-O 3.31Å; R153-E188 PolarHBondContact N-O 3.38Å; R153-E188 PolarHBondContact O-N 3.2Å
189	L	89.8	Confident	85.2	Confident	43 Å²	43	81.5 Å²	81.5	23%	0.225	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.6	176.9	-179.4	75	0	0	0	109.8	L147 F152 Y170 T191	L147-L189 HydrophobicContact CD2-CD1 4.01Å; L147-L189 HydrophobicContact CD2-CD2 3.88Å; F152-L189 HydrophobicContact CD1-CB 4.32Å; F152-L189 HydrophobicContact CD1-CD1 4.18Å; F152-L189 HydrophobicContact CE1-CB 4.18Å; F152-L189 HydrophobicContact CE1-CD1 3.85Å; F152-L189 HydrophobicContact CE2-CD1 4.24Å; F152-L189 HydrophobicContact CZ-CD1 3.89Å; Y170-L189 HydrophobicContact CE2-CD2 4.39Å; L189-T191 HydrophobicContact CD2-CG2 4.44Å; L189-T191 PolarHBondContact O-N 3.16Å
190	L	90.1	Very high	85.7	Confident	43 Å²	43	75.7 Å²	75.7	23%	0.225	38%	0.382	C	S	.	.			trans	-88.3	99.7	169.8	-66.1	178.4	0	0	0	109.1	T151 R153 V160 N192 E193 S194	T151-L190 HydrophobicContact CG2-CB 4.4Å; T151-L190 HydrophobicContact CG2-CD1 4.37Å; T151-L190 PolarHBondContact O-N 3.16Å; R153-L190 HydrophobicContact CB-CD1 4.05Å; R153-L190 HydrophobicContact CB-CD2 4.38Å; R153-L190 HydrophobicContact CB-CG 4.03Å; V160-L190 HydrophobicContact CG1-CD1 4Å; V160-L190 HydrophobicContact CG2-CD1 3.96Å; L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 3.12Å; L190-E193 PolarHBondContact O-N 3.14Å; L190-S194 WeakPolarHBondContact O-CB 3.44Å; L190-S194 PolarHBondContact O-N 3.08Å; L190-S194 PolarHBondContact O-OG 3.29Å
191	T	88.5	Confident	86.2	Confident	77 Å²	77	69 Å²	69	47%	0.472	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.4	-39	178.7	51.3	0	0	0	0	112.2	L189 E193 S194 F196	L189-T191 HydrophobicContact CD2-CG2 4.44Å; L189-T191 PolarHBondContact O-N 3.16Å; T191-E193 VanDerWaalsContact C-N 3.31Å; T191-E193 PolarHBondContact O-N 3.15Å; T191-S194 WeakPolarHBondContact O-CB 3.42Å; T191-S194 PolarHBondContact O-N 3.17Å; T191-S194 VanDerWaalsContact O-N 3.09Å; T191-F196 HydrophobicContact CG2-CZ 4.43Å; T191-F196 WeakPolarHBondContact O-CE2 3.39Å
192	N	88.8	Confident	86.9	Confident	160 Å²	160	68.2 Å²	68.2	86%	0.856	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.9	-28	-174.1	-58.1	-9	0	0	0	114.2	L190	L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 3.12Å
193	E	86.3	Confident	87.5	Confident	88 Å²	88	68 Å²	68	41%	0.411	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-102.2	5.2	176.4	-64.8	-164.8	172.9	0	0	112.3	T151 R162 L190 T191	T151-E193 HydrophobicContact CG2-CB 3.92Å; T151-E193 PolarHBondContact OG1-O 3.13Å; R162-E193 IonicContact CZ-OE2 3.82Å; R162-E193 IonicContact NE-OE2 3.04Å; R162-E193 PolarHBondContact NE-OE2 3.43Å; R162-E193 IonicContact NH2-OE1 3.03Å; R162-E193 PolarHBondContact NH2-OE1 3.29Å; R162-E193 IonicContact NH2-OE2 3.37Å; R162-E193 PolarHBondContact NH2-OE2 3.25Å; L190-E193 PolarHBondContact O-N 3.14Å; T191-E193 VanDerWaalsContact C-N 3.31Å; T191-E193 PolarHBondContact O-N 3.15Å
194	S	86.4	Confident	88.1	Confident	14 Å²	14	67.5 Å²	67.5	10%	0.098	32%	0.321	C	S	.	.	S	Bend	trans	-89.8	152	179.8	-69.2	0	0	0	0	110.8	T151 L190 T191	T151-S194 PolarHBondContact N-OG 3.43Å; T151-S194 VanDerWaalsContact N-OG 3.08Å; L190-S194 WeakPolarHBondContact O-CB 3.44Å; L190-S194 PolarHBondContact O-N 3.08Å; L190-S194 PolarHBondContact O-OG 3.29Å; T191-S194 WeakPolarHBondContact O-CB 3.42Å; T191-S194 PolarHBondContact O-N 3.17Å; T191-S194 VanDerWaalsContact O-N 3.09Å
195	K	86.8	Confident	88.7	Confident	66 Å²	66	61.1 Å²	61.1	29%	0.287	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.8	177.4	-65.4	-173.2	170.1	-164.7	0	110.3	D105 L148 M149	D105-K195 VanDerWaalsContact CG-NZ 3.3Å; D105-K195 IonicContact OD1-NZ 2.73Å; D105-K195 PolarHBondContact OD1-NZ 3Å; D105-K195 WeakPolarHBondContact OD2-CD 3.44Å; D105-K195 WeakPolarHBondContact OD2-CE 3.4Å; D105-K195 IonicContact OD2-NZ 3.3Å; D105-K195 PolarHBondContact OD2-NZ 3.22Å; L148-K195 PolarHBondContact N-O 3.2Å; M149-K195 HydrophobicContact CB-CB 4.12Å; M149-K195 HydrophobicContact CB-CD 4.32Å; M149-K195 HydrophobicContact CB-CG 4.39Å; M149-K195 HydrophobicContact CG-CD 4.28Å; M149-K195 PolarHBondContact N-O 2.54Å; M149-K195 PolarHBondContact O-N 3.39Å; M149-K195 HydrophobicContact SD-CD 3.92Å
196	F	88.4	Confident	89.2	Confident	95 Å²	95	54.8 Å²	54.8	42%	0.417	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.8	176.1	-61.9	-83.3	0	0	0	110.5	P145 E146 L147 T191	P145-F196 HydrophobicContact CB-CB 4.48Å; E146-F196 CarbonylContact O-C 3.52Å; E146-F196 VanDerWaalsContact O-CA 3.27Å; E146-F196 WeakPolarHBondContact O-CA 3.16Å; L147-F196 HydrophobicContact CB-CD1 4.08Å; L147-F196 HydrophobicContact CB-CE1 3.87Å; L147-F196 HydrophobicContact CD1-CD1 4.02Å; L147-F196 HydrophobicContact CD1-CE1 3.53Å; L147-F196 HydrophobicContact CD1-CE2 4.41Å; L147-F196 HydrophobicContact CD1-CZ 3.75Å; L147-F196 HydrophobicContact CG-CE1 4.27Å; T191-F196 HydrophobicContact CG2-CZ 4.43Å; T191-F196 WeakPolarHBondContact O-CE2 3.39Å
197	V	88.6	Confident	89.2	Confident	14 Å²	14	48.2 Å²	48.2	9%	0.085	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.1	175.2	176.5	0	0	0	0	108.6	Y107 E146 L148 F199 R225 A226	Y107-V197 WeakPolarHBondContact OH-CG2 3.21Å; E146-V197 PolarHBondContact N-O 3.25Å; E146-V197 PolarHBondContact O-N 2.95Å; L148-V197 HydrophobicContact CD1-CB 4.12Å; L148-V197 HydrophobicContact CD1-CG2 3.32Å; L148-V197 HydrophobicContact CG-CB 4.21Å; L148-V197 HydrophobicContact CG-CG2 3.77Å; V197-F199 PolarHBondContact O-N 2.96Å; V197-R225 HydrophobicContact CG1-CB 4.45Å; V197-A226 HydrophobicContact CG1-CB 4.15Å
198	D	90.9	Very high	88.8	Confident	89 Å²	89	54.5 Å²	54.5	48%	0.476	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128	175.4	-60.8	-37	0	0	0	110.2	I143 R225 A226 V229	I143-D198 HydrophobicContact CG2-CB 3.89Å; D198-R225 WeakPolarHBondContact O-CA 3.45Å; D198-A226 PolarHBondContact O-N 2.73Å; D198-V229 HydrophobicContact CB-CG2 4.41Å
199	F	90.2	Very high	88.3	Confident	43 Å²	43	54.2 Å²	54.2	19%	0.189	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.1	-179.4	163	-82.2	0	0	0	108.6	H144 E146 V197 K201 I223	H144-F199 PolarHBondContact N-O 3.22Å; H144-F199 WeakPolarHBondContact O-CA 3.19Å; H144-F199 WeakPolarHBondContact O-CB 3.3Å; H144-F199 PolarHBondContact O-N 2.87Å; H144-F199 VanDerWaalsContact O-O 3.08Å; E146-F199 HydrophobicContact CB-CB 3.65Å; E146-F199 HydrophobicContact CB-CG 4.34Å; V197-F199 PolarHBondContact O-N 2.96Å; F199-K201 HydrophobicContact CE1-CB 4Å; F199-K201 HydrophobicContact CZ-CB 4.14Å; F199-I223 HydrophobicContact CD2-CG2 3.47Å; F199-I223 VanDerWaalsContact CD2-CG2 3.47Å; F199-I223 HydrophobicContact CE2-CB 3.99Å; F199-I223 HydrophobicContact CE2-CD1 3.92Å; F199-I223 HydrophobicContact CE2-CG1 3.68Å; F199-I223 HydrophobicContact CE2-CG2 3.17Å; F199-I223 HydrophobicContact CZ-CD1 4.34Å; F199-I223 HydrophobicContact CZ-CG1 3.97Å; F199-I223 HydrophobicContact CZ-CG2 4.18Å
200	Q	90.9	Very high	87.8	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.8	172.8	-169.1	-175.7	28.7	0	0	110	H141 V202 L224 V229	H141-Q200 VanDerWaalsContact O-CG 3.31Å; H141-Q200 WeakPolarHBondContact O-CG 3.27Å; H141-Q200 PolarHBondContact O-NE2 2.82Å; H141-Q200 VanDerWaalsContact O-NE2 3.17Å; Q200-V202 HydrophobicContact CG-CG2 4.23Å; Q200-L224 HydrophobicContact CB-CB 4.35Å; Q200-L224 PolarHBondContact N-O 3.27Å; Q200-L224 PolarHBondContact O-N 3.24Å; Q200-V229 HydrophobicContact CB-CB 4.33Å; Q200-V229 HydrophobicContact CB-CG1 3.79Å; Q200-V229 HydrophobicContact CB-CG2 3.89Å; Q200-V229 HydrophobicContact CG-CG1 4.42Å
201	K	91.1	Very high	87.5	Confident	35 Å²	35	54.9 Å²	54.9	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.2	173.9	-173.5	-175.8	178.5	-170.7	0	109.1	H141 F199 E221	H141-K201 HydrophobicContact CB-CB 4.22Å; H141-K201 VanDerWaalsContact CB-O 3.29Å; H141-K201 WeakPolarHBondContact CB-O 3.44Å; H141-K201 PolarHBondContact CD2-O 2.93Å; H141-K201 PolarHBondContact N-O 2.83Å; F199-K201 HydrophobicContact CE1-CB 4Å; F199-K201 HydrophobicContact CZ-CB 4.14Å; K201-E221 WeakPolarHBondContact CE-OE1 3.1Å; K201-E221 WeakPolarHBondContact CE-OE2 3.3Å; K201-E221 IonicContact NZ-OE1 2.73Å; K201-E221 PolarHBondContact NZ-OE1 3.43Å; K201-E221 IonicContact NZ-OE2 3.91Å; K201-E221 PolarHBondContact NZ-OE2 3.22Å
202	V	91.8	Very high	87.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.6	178.8	-178.1	0	0	0	0	108.9	V137 A140 Q200 V204 V222 L224	V137-V202 HydrophobicContact CB-CG1 4.36Å; V137-V202 HydrophobicContact CG1-CG1 3.41Å; V137-V202 VanDerWaalsContact CG1-CG1 3.41Å; V137-V202 HydrophobicContact CG2-CG1 4.14Å; A140-V202 HydrophobicContact CB-CG2 4.44Å; Q200-V202 HydrophobicContact CG-CG2 4.23Å; V202-V204 HydrophobicContact CG1-CG1 4.01Å; V202-V222 PolarHBondContact N-O 3.15Å; V202-V222 PolarHBondContact O-N 2.87Å; V202-V222 VanDerWaalsContact O-O 3.14Å; V202-L224 HydrophobicContact CG2-CD1 3.74Å; V202-L224 HydrophobicContact CG2-CG 4.17Å
203	R	92.2	Very high	87.3	Confident	62 Å²	62	58.5 Å²	58.5	23%	0.234	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121	174.7	-171.7	176.7	-66.9	178.3	3.5	108.9	V138 R139 E436	V138-R203 PolarHBondContact N-O 3.37Å; R139-R203 HydrophobicContact CB-CB 4.38Å; R139-R203 PolarHBondContact N-O 3.5Å; R139-R203 PolarHBondContact O-N 3.18Å; R203-E436 IonicContact NH2-OE1 3.92Å
204	V	92.8	Very high	87.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.5	-177.5	-52	0	0	0	0	111.3	M119 A135 Q136 V137 V202 N219 L220 V222 F240	M119-V204 HydrophobicContact CE-CG2 4.22Å; A135-V204 HydrophobicContact CB-CB 3.69Å; A135-V204 HydrophobicContact CB-CG2 3.69Å; Q136-V204 CarbonylContact O-C 3.55Å; Q136-V204 VanDerWaalsContact O-CA 3.26Å; Q136-V204 WeakPolarHBondContact O-CA 3.36Å; V137-V204 HydrophobicContact CG2-CG1 4.37Å; V202-V204 HydrophobicContact CG1-CG1 4.01Å; V204-N219 CarbonylContact O-C 3.57Å; V204-N219 VanDerWaalsContact O-CA 3.29Å; V204-N219 WeakPolarHBondContact O-CA 3.48Å; V204-L220 HydrophobicContact CG2-CB 3.98Å; V204-L220 PolarHBondContact N-O 3.35Å; V204-L220 PolarHBondContact O-N 2.91Å; V204-V222 HydrophobicContact CB-CG2 4.3Å; V204-V222 HydrophobicContact CG1-CB 4.24Å; V204-V222 HydrophobicContact CG1-CG2 3.72Å; V204-V222 HydrophobicContact CG2-CG2 3.55Å; V204-F240 HydrophobicContact CB-CE2 4.34Å; V204-F240 HydrophobicContact CG1-CD2 4.49Å; V204-F240 HydrophobicContact CG1-CE2 3.61Å; V204-F240 HydrophobicContact CG1-CZ 3.68Å
205	Q	91.4	Very high	87.5	Confident	52 Å²	52	60.5 Å²	60.5	24%	0.243	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152	-177.5	-175.2	172.7	50.5	0	0	111.3	M119 A135 Q136 V138 T207 P217 N219	M119-Q205 VanDerWaalsContact SD-C 3.55Å; A135-Q205 WeakPolarHBondContact CA-O 3.29Å; A135-Q205 WeakPolarHBondContact CB-O 3.49Å; Q136-Q205 PolarHBondContact N-O 2.82Å; Q136-Q205 PolarHBondContact O-N 2.89Å; V138-Q205 HydrophobicContact CG2-CB 3.48Å; V138-Q205 VanDerWaalsContact CG2-CB 3.48Å; Q205-T207 PolarHBondContact O-N 2.84Å; Q205-P217 HydrophobicContact CG-CB 3.73Å; Q205-P217 HydrophobicContact CG-CG 4.44Å; Q205-P217 VanDerWaalsContact NE2-CB 3.33Å; Q205-N219 PolarHBondContact NE2-OD1 3.19Å
206	E	89.9	Confident	87.6	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.023	34%	0.34	C	S	.	.			trans	-54	137.1	173.1	-75.4	176.2	-170.1	0	0	111.7	M119 R120 L211 R218	M119-E206 HydrophobicContact CB-CG 3.69Å; M119-E206 HydrophobicContact CE-CG 4.41Å; M119-E206 HydrophobicContact CG-CG 3.99Å; M119-E206 VanDerWaalsContact SD-CA 3.59Å; M119-E206 HydrophobicContact SD-CB 4.21Å; M119-E206 HydrophobicContact SD-CG 3.56Å; M119-E206 VanDerWaalsContact SD-CG 3.56Å; M119-E206 PolarHBondContact SD-N 2.9Å; R120-E206 WeakPolarHBondContact CG-OE1 3.45Å; R120-E206 IonicContact CZ-OE1 2.82Å; R120-E206 IonicContact CZ-OE2 3.33Å; R120-E206 VanDerWaalsContact CZ-OE2 3.24Å; R120-E206 IonicContact NE-OE1 3.76Å; R120-E206 PolarHBondContact NE-OE1 2.86Å; R120-E206 IonicContact NE-OE2 3.65Å; R120-E206 PolarHBondContact NE-OE2 3.08Å; R120-E206 IonicContact NH2-OE1 2.74Å; R120-E206 IonicContact NH2-OE2 2.75Å; R120-E206 PolarHBondContact NH2-OE2 3.01Å; E206-L211 HydrophobicContact CB-CD2 4.18Å; E206-R218 PolarHBondContact N-O 2.97Å; E206-R218 WeakPolarHBondContact OE1-CB 3.17Å
207	T	82.3	Confident	87.6	Confident	2 Å²	2	62 Å²	62	1%	0.012	33%	0.333	C	S	.	.			trans	-68.3	142.7	176.4	61.1	0	0	0	0	110.9	R134 Q205 S209 E210	R134-T207 HydrophobicContact CG-CG2 4.23Å; Q205-T207 PolarHBondContact O-N 2.84Å; T207-S209 PolarHBondContact O-N 2.78Å; T207-S209 VanDerWaalsContact O-N 3.1Å; T207-S209 PolarHBondContact OG1-OG 2.82Å; T207-E210 PolarHBondContact O-N 2.93Å; T207-E210 WeakPolarHBondContact OG1-CG 3.42Å
208	Q	79.6	Confident	87.7	Confident	145 Å²	145	68 Å²	68	68%	0.678	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.1	-176.1	-65.1	-176	10.5	0	0	113.7	E210 L211	Q208-E210 VanDerWaalsContact C-N 3.26Å; Q208-E210 PolarHBondContact O-N 2.81Å; Q208-L211 HydrophobicContact CB-CD1 4.44Å; Q208-L211 HydrophobicContact CG-CD1 4.47Å; Q208-L211 PolarHBondContact O-N 3.26Å
209	S	78.2	Confident	87.7	Confident	99 Å²	99	68.1 Å²	68.1	69%	0.692	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.1	176.4	44.1	0	0	0	0	113.8	T207	T207-S209 PolarHBondContact O-N 2.78Å; T207-S209 VanDerWaalsContact O-N 3.1Å; T207-S209 PolarHBondContact OG1-OG 2.82Å
210	E	79.6	Confident	87.7	Confident	44 Å²	44	67 Å²	67	21%	0.206	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-98	-2.8	-176.5	-66.9	179.8	-175.2	0	0	112.7	T207 Q208 P212	T207-E210 PolarHBondContact O-N 2.93Å; T207-E210 WeakPolarHBondContact OG1-CG 3.42Å; Q208-E210 VanDerWaalsContact C-N 3.26Å; Q208-E210 PolarHBondContact O-N 2.81Å; E210-P212 WeakPolarHBondContact O-CD 3.49Å
211	L	83.7	Confident	87.8	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.288	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-69.2	122.1	-177.9	-74.9	168.7	0	0	0	111.5	E206 Q208 P217	E206-L211 HydrophobicContact CB-CD2 4.18Å; Q208-L211 HydrophobicContact CB-CD1 4.44Å; Q208-L211 HydrophobicContact CG-CD1 4.47Å; Q208-L211 PolarHBondContact O-N 3.26Å; L211-P217 HydrophobicContact CD1-CB 4.47Å; L211-P217 HydrophobicContact CD2-CB 3.73Å
212	P	86.2	Confident	87.9	Confident	56 Å²	56	67 Å²	67	36%	0.364	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.3	142	167.7	24.2	-26.1	0	0	0	109.9	E210 G214 S215	E210-P212 WeakPolarHBondContact O-CD 3.49Å; P212-G214 PolarHBondContact O-N 3.36Å; P212-S215 PolarHBondContact O-N 3.48Å
213	R	86.7	Confident	88	Confident	257 Å²	257	67.3 Å²	67.3	97%	0.97	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.2	-178.7	-63.6	-176.3	180	-138.2	0.8	110.4	S215	R213-S215 VanDerWaalsContact C-N 3.35Å; R213-S215 PolarHBondContact O-N 3.22Å
214	G	86.9	Confident	88	Confident	92 Å²	92	64.4 Å²	64.4	95%	0.948	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	5.7	176.5	0	0	0	0	0	116.1	P212	P212-G214 PolarHBondContact O-N 3.36Å
215	S	89.3	Confident	87.8	Confident	53 Å²	53	66.8 Å²	66.8	37%	0.371	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-99.7	146.2	175.1	-69.2	0	0	0	0	112.5	P212 R213	P212-S215 PolarHBondContact O-N 3.48Å; R213-S215 VanDerWaalsContact C-N 3.35Å; R213-S215 PolarHBondContact O-N 3.22Å
216	I	88.7	Confident	87.5	Confident	149 Å²	149	64.8 Å²	64.8	76%	0.764	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-73.1	137.3	169.9	-57	171	0	0	0	108.4	R120 R218	R120-I216 PolarHBondContact NH2-O 3.32Å; I216-R218 PolarHBondContact O-N 3.07Å
217	P	88.9	Confident	87.3	Confident	42 Å²	42	66.9 Å²	66.9	27%	0.273	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.5	173.6	25.6	-36	0	0	0	111.1	Q205 L211	Q205-P217 HydrophobicContact CG-CB 3.73Å; Q205-P217 HydrophobicContact CG-CG 4.44Å; Q205-P217 VanDerWaalsContact NE2-CB 3.33Å; L211-P217 HydrophobicContact CD1-CB 4.47Å; L211-P217 HydrophobicContact CD2-CB 3.73Å
218	R	90	Very high	87.4	Confident	140 Å²	140	67.2 Å²	67.2	53%	0.528	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-84.5	148.1	176.3	-63	-178.9	175.7	179.2	-0.3	110.6	E206 I216	E206-R218 PolarHBondContact N-O 2.97Å; E206-R218 WeakPolarHBondContact OE1-CB 3.17Å; I216-R218 PolarHBondContact O-N 3.07Å
219	N	91.2	Very high	87.8	Confident	93 Å²	93	61.1 Å²	61.1	50%	0.497	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.7	176.5	-58.4	-18.8	0	0	0	109.7	V204 Q205	V204-N219 CarbonylContact O-C 3.57Å; V204-N219 VanDerWaalsContact O-CA 3.29Å; V204-N219 WeakPolarHBondContact O-CA 3.48Å; Q205-N219 PolarHBondContact NE2-OD1 3.19Å
220	L	91.1	Very high	88.1	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.4	176.2	-176.9	69.9	0	0	0	109.3	M119 L122 V204 F294	M119-L220 HydrophobicContact CE-CB 3.34Å; M119-L220 HydrophobicContact CE-CD2 4.27Å; M119-L220 HydrophobicContact CE-CG 4.45Å; L122-L220 HydrophobicContact CD1-CD2 3.78Å; V204-L220 HydrophobicContact CG2-CB 3.98Å; V204-L220 PolarHBondContact N-O 3.35Å; V204-L220 PolarHBondContact O-N 2.91Å; L220-F294 HydrophobicContact CD2-CB 3.83Å; L220-F294 HydrophobicContact CD2-CG 4.44Å; L220-F294 HydrophobicContact CG-CB 4.3Å
221	E	92.6	Very high	88.3	Confident	40 Å²	40	61 Å²	61	19%	0.187	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.1	172.7	-58.8	-169.3	154.4	0	0	109	K201 R291 F294	K201-E221 WeakPolarHBondContact CE-OE1 3.1Å; K201-E221 WeakPolarHBondContact CE-OE2 3.3Å; K201-E221 IonicContact NZ-OE1 2.73Å; K201-E221 PolarHBondContact NZ-OE1 3.43Å; K201-E221 IonicContact NZ-OE2 3.91Å; K201-E221 PolarHBondContact NZ-OE2 3.22Å; E221-R291 IonicContact OE2-CZ 3.21Å; E221-R291 IonicContact OE2-NH1 3.24Å; E221-F294 PolarHBondContact O-N 3.38Å
222	V	93.6	Very high	88.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.6	174.1	178.8	0	0	0	0	108.8	V202 V204 L224 F240 F294 A296	V202-V222 PolarHBondContact N-O 3.15Å; V202-V222 PolarHBondContact O-N 2.87Å; V202-V222 VanDerWaalsContact O-O 3.14Å; V204-V222 HydrophobicContact CB-CG2 4.3Å; V204-V222 HydrophobicContact CG1-CB 4.24Å; V204-V222 HydrophobicContact CG1-CG2 3.72Å; V204-V222 HydrophobicContact CG2-CG2 3.55Å; V222-L224 HydrophobicContact CG1-CD2 3.82Å; V222-F240 HydrophobicContact CG1-CD1 3.75Å; V222-F240 HydrophobicContact CG1-CE1 4.03Å; V222-F240 HydrophobicContact CG1-CG 4.28Å; V222-F240 HydrophobicContact CG2-CG 4.46Å; V222-F294 CarbonylContact C-O 3.58Å; V222-F294 VanDerWaalsContact CA-O 3.27Å; V222-F294 WeakPolarHBondContact CA-O 3.41Å; V222-F294 HydrophobicContact CG1-CD1 4.28Å; V222-F294 HydrophobicContact CG2-CB 4.2Å; V222-F294 HydrophobicContact CG2-CD1 4.32Å; V222-A296 HydrophobicContact CG1-CB 3.75Å
223	I	93.5	Very high	88.2	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.2	175.5	-69.1	166.6	0	0	0	107.8	F199 R225 I245 I247 A293 F294 L295 A296	F199-I223 HydrophobicContact CD2-CG2 3.47Å; F199-I223 VanDerWaalsContact CD2-CG2 3.47Å; F199-I223 HydrophobicContact CE2-CB 3.99Å; F199-I223 HydrophobicContact CE2-CD1 3.92Å; F199-I223 HydrophobicContact CE2-CG1 3.68Å; F199-I223 HydrophobicContact CE2-CG2 3.17Å; F199-I223 HydrophobicContact CZ-CD1 4.34Å; F199-I223 HydrophobicContact CZ-CG1 3.97Å; F199-I223 HydrophobicContact CZ-CG2 4.18Å; I223-R225 HydrophobicContact CG2-CG 4.36Å; I223-I245 HydrophobicContact CD1-CD1 4.42Å; I223-I247 HydrophobicContact CD1-CD1 3.68Å; I223-A293 HydrophobicContact CD1-CB 4.25Å; I223-F294 PolarHBondContact N-O 3.38Å; I223-L295 HydrophobicContact CB-CD1 4.07Å; I223-L295 HydrophobicContact CG2-CD1 3.63Å; I223-A296 PolarHBondContact O-N 2.76Å
224	L	92.1	Very high	87.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.1	173.5	-52	-177.4	0	0	0	109.2	Q200 V202 V222 V229 A232 F240 A296 V299	Q200-L224 HydrophobicContact CB-CB 4.35Å; Q200-L224 PolarHBondContact N-O 3.27Å; Q200-L224 PolarHBondContact O-N 3.24Å; V202-L224 HydrophobicContact CG2-CD1 3.74Å; V202-L224 HydrophobicContact CG2-CG 4.17Å; V222-L224 HydrophobicContact CG1-CD2 3.82Å; L224-V229 HydrophobicContact CB-CG2 4.27Å; L224-A232 HydrophobicContact CD1-CB 3.85Å; L224-F240 HydrophobicContact CD2-CD1 4.36Å; L224-F240 HydrophobicContact CD2-CE1 4.33Å; L224-A296 HydrophobicContact CD2-CB 3.78Å; L224-V299 HydrophobicContact CD1-CG2 4.08Å; L224-V299 HydrophobicContact CD2-CG2 3.4Å; L224-V299 VanDerWaalsContact CD2-CG2 3.4Å; L224-V299 HydrophobicContact CG-CG2 4.38Å
225	R	88.7	Confident	87.4	Confident	51 Å²	51	46.6 Å²	46.6	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.6	-179.7	-73.9	-174.1	168	161.4	-3.5	111.4	E146 V197 D198 I223 T228 L295	E146-R225 IonicContact OE1-CZ 3.66Å; E146-R225 IonicContact OE1-NH2 3.33Å; E146-R225 PolarHBondContact OE1-NH2 3.5Å; E146-R225 IonicContact OE2-CZ 3.85Å; E146-R225 IonicContact OE2-NE 2.94Å; E146-R225 PolarHBondContact OE2-NE 3.18Å; E146-R225 IonicContact OE2-NH2 3.22Å; E146-R225 PolarHBondContact OE2-NH2 3.45Å; V197-R225 HydrophobicContact CG1-CB 4.45Å; D198-R225 WeakPolarHBondContact O-CA 3.45Å; I223-R225 HydrophobicContact CG2-CG 4.36Å; R225-T228 PolarHBondContact N-OG1 3.25Å; R225-T228 PolarHBondContact O-N 3.06Å; R225-T228 PolarHBondContact O-OG1 3.39Å; R225-L295 HydrophobicContact CG-CD1 4.29Å
226	A	84.8	Confident	86.8	Confident	10 Å²	10	46 Å²	46	8%	0.083	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	54.3	-139	175.9	0	0	0	0	0	111.7	Y107 V197 D198 T228 V229	Y107-A226 HydrophobicContact CD2-CB 3.49Å; Y107-A226 VanDerWaalsContact CD2-CB 3.49Å; Y107-A226 HydrophobicContact CE2-CB 3.57Å; Y107-A226 HydrophobicContact CG-CB 4.27Å; V197-A226 HydrophobicContact CG1-CB 4.15Å; D198-A226 PolarHBondContact O-N 2.73Å; A226-T228 PolarHBondContact O-N 3.17Å; A226-V229 VanDerWaalsContact O-CB 3.25Å; A226-V229 WeakPolarHBondContact O-CB 3.46Å; A226-V229 WeakPolarHBondContact O-CG2 3.43Å; A226-V229 PolarHBondContact O-N 3Å
227	D	85	Confident	86.6	Confident	50 Å²	50	43.9 Å²	43.9	27%	0.267	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.7	-9.6	-173.5	-47	-0.8	0	0	0	114.1	K52 N53 T54 V229	K52-D227 WeakPolarHBondContact CA-OD2 3.36Å; N53-D227 PolarHBondContact N-OD2 2.8Å; T54-D227 HydrophobicContact CG2-CB 3.71Å; T54-D227 PolarHBondContact N-OD2 3.3Å; T54-D227 VanDerWaalsContact N-OD2 3.07Å; T54-D227 PolarHBondContact OG1-OD2 2.91Å; D227-V229 VanDerWaalsContact C-N 3.25Å
228	T	85.3	Confident	86.5	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.055	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-79.4	-9.6	174.3	63.6	0	0	0	0	114.1	R225 A226 C297	R225-T228 PolarHBondContact N-OG1 3.25Å; R225-T228 PolarHBondContact O-N 3.06Å; R225-T228 PolarHBondContact O-OG1 3.39Å; A226-T228 PolarHBondContact O-N 3.17Å; T228-C297 VanDerWaalsContact CG2-O 3.25Å; T228-C297 WeakPolarHBondContact CG2-O 3.48Å
229	V	86.9	Confident	86.5	Confident	17 Å²	17	36.3 Å²	36.3	10%	0.103	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	144.7	174.9	170.5	0	0	0	0	109.9	I143 D198 Q200 L224 A226 D227 L231	I143-V229 HydrophobicContact CB-CG1 4.19Å; I143-V229 HydrophobicContact CD1-CG1 3.34Å; I143-V229 HydrophobicContact CG1-CG1 3.38Å; I143-V229 HydrophobicContact CG2-CG1 3.83Å; D198-V229 HydrophobicContact CB-CG2 4.41Å; Q200-V229 HydrophobicContact CB-CB 4.33Å; Q200-V229 HydrophobicContact CB-CG1 3.79Å; Q200-V229 HydrophobicContact CB-CG2 3.89Å; Q200-V229 HydrophobicContact CG-CG1 4.42Å; L224-V229 HydrophobicContact CB-CG2 4.27Å; A226-V229 VanDerWaalsContact O-CB 3.25Å; A226-V229 WeakPolarHBondContact O-CB 3.46Å; A226-V229 WeakPolarHBondContact O-CG2 3.43Å; A226-V229 PolarHBondContact O-N 3Å; D227-V229 VanDerWaalsContact C-N 3.25Å; V229-L231 PolarHBondContact O-N 3.06Å
230	D	86	Confident	86.5	Confident	90 Å²	90	32 Å²	32	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	-1.2	179.5	-147.1	24.3	0	0	0	116.1	I143 A232 Q233	I143-D230 HydrophobicContact CD1-CB 4.35Å; D230-A232 VanDerWaalsContact C-N 3.32Å; D230-Q233 PolarHBondContact O-NE2 3.01Å; D230-Q233 PolarHBondContact OD1-NE2 2.99Å
231	L	83.7	Confident	86.6	Confident	49 Å²	49	31.1 Å²	31.1	26%	0.257	16%	0.161	S	C	.	.			trans	-71.4	-27.6	172	-60.9	-172.6	0	0	0	113.1	V229 V299 E311	V229-L231 PolarHBondContact O-N 3.06Å; L231-V299 HydrophobicContact CB-CB 4.41Å; L231-E311 HydrophobicContact CD2-CG 4.12Å; L231-E311 WeakPolarHBondContact CD2-OE1 3.33Å
232	A	84.4	Confident	86.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-96.6	98.1	-177.1	0	0	0	0	0	110.7	V137 L224 D230 F240 V299	V137-A232 HydrophobicContact CG2-CB 4.11Å; L224-A232 HydrophobicContact CD1-CB 3.85Å; D230-A232 VanDerWaalsContact C-N 3.32Å; A232-F240 HydrophobicContact CB-CE1 4.27Å; A232-F240 HydrophobicContact CB-CZ 4.46Å; A232-V299 HydrophobicContact CB-CG1 4.11Å
233	Q	82.1	Confident	86.5	Confident	79 Å²	79	29.2 Å²	29.2	37%	0.369	15%	0.152	S	C	.	.			trans	-90	148.9	178.6	-65.2	-60.1	-31.8	0	0	112	V137 D230 G235 D236	V137-Q233 WeakPolarHBondContact CB-O 3.35Å; D230-Q233 PolarHBondContact O-NE2 3.01Å; D230-Q233 PolarHBondContact OD1-NE2 2.99Å; Q233-G235 PolarHBondContact O-N 3.28Å; Q233-D236 WeakPolarHBondContact O-CB 3.35Å; Q233-D236 PolarHBondContact O-N 2.96Å
234	P	81	Confident	86.5	Confident	53 Å²	53	29.2 Å²	29.2	34%	0.344	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	137.2	177.9	26.3	-33.7	0	0	0	111.7	D236	P234-D236 VanDerWaalsContact C-N 3.33Å
235	G	76	Confident	86.5	Confident	26 Å²	26	29.7 Å²	29.7	27%	0.268	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-24.2	-175.7	0	0	0	0	0	113.8	Q136 V137 Q233	Q136-G235 PolarHBondContact NE2-O 3.44Å; V137-G235 PolarHBondContact O-N 2.82Å; Q233-G235 PolarHBondContact O-N 3.28Å
236	D	77.9	Confident	86.5	Confident	41 Å²	41	30 Å²	30	22%	0.219	16%	0.162	C	C	.	.			trans	-72.1	148	-178.3	-77.2	-21.3	0	0	0	112.6	Q136 V137 Q233 P234	Q136-D236 CarbonylContact C-O 3.35Å; Q136-D236 WeakPolarHBondContact CA-O 3.13Å; V137-D236 PolarHBondContact N-O 2.89Å; Q233-D236 WeakPolarHBondContact O-CB 3.35Å; Q233-D236 PolarHBondContact O-N 2.96Å; P234-D236 VanDerWaalsContact C-N 3.33Å
237	R	83.5	Confident	86.5	Confident	105 Å²	105	30 Å²	30	40%	0.396	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.6	168.7	-65.8	178	-172.6	173.8	4.6	107.2	S302	R237-S302 VanDerWaalsContact CB-OG 3.29Å; R237-S302 WeakPolarHBondContact CB-OG 3.29Å; R237-S302 PolarHBondContact O-N 3.5Å; R237-S302 PolarHBondContact O-OG 3.49Å
238	C	86.9	Confident	86.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.2	-176.9	-61.6	0	0	0	0	110	A135 F240 V299	A135-C238 PolarHBondContact N-O 2.63Å; A135-C238 PolarHBondContact O-N 3.38Å; A135-C238 VanDerWaalsContact O-O 3.1Å; C238-F240 HydrophobicContact CB-CD2 4.32Å; C238-F240 HydrophobicContact CB-CE1 4.12Å; C238-F240 HydrophobicContact CB-CE2 3.63Å; C238-F240 HydrophobicContact CB-CZ 3.51Å; C238-V299 HydrophobicContact CB-CG1 3.92Å
239	E	89.5	Confident	85.7	Confident	23 Å²	23	32 Å²	32	11%	0.107	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.4	166.4	-57.5	-171.7	149.9	0	0	107.7	K132 V133 R134 I300	K132-E239 VanDerWaalsContact CE-CD 3.4Å; K132-E239 WeakPolarHBondContact CE-OE2 3.37Å; K132-E239 IonicContact NZ-OE2 3.31Å; K132-E239 PolarHBondContact NZ-OE2 3.35Å; V133-E239 CarbonylContact O-C 3.51Å; V133-E239 WeakPolarHBondContact O-CA 3.46Å; R134-E239 HydrophobicContact CG-CG 4.34Å; R134-E239 IonicContact CZ-OE1 3.22Å; R134-E239 IonicContact NE-OE1 3.82Å; R134-E239 PolarHBondContact NE-OE1 2.92Å; R134-E239 VanDerWaalsContact NE-OE1 3.08Å; R134-E239 IonicContact NH2-OE1 2.77Å; R134-E239 PolarHBondContact NH2-OE1 3.31Å; E239-I300 HydrophobicContact CB-CB 4.48Å; E239-I300 PolarHBondContact N-O 3.47Å; E239-I300 PolarHBondContact O-N 3.45Å
240	F	91.8	Very high	84.8	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	178.1	-60.8	-79.5	0	0	0	108.8	K132 V133 A135 V137 V204 V222 L224 A232 C238 F294 A296 V299	K132-F240 CarbonylContact C-O 3.59Å; K132-F240 WeakPolarHBondContact CA-O 3.38Å; V133-F240 PolarHBondContact N-O 3.31Å; V133-F240 PolarHBondContact O-N 3.23Å; A135-F240 HydrophobicContact CB-CD2 4.35Å; A135-F240 HydrophobicContact CB-CE2 4.19Å; V137-F240 HydrophobicContact CG2-CZ 3.94Å; V204-F240 HydrophobicContact CB-CE2 4.34Å; V204-F240 HydrophobicContact CG1-CD2 4.49Å; V204-F240 HydrophobicContact CG1-CE2 3.61Å; V204-F240 HydrophobicContact CG1-CZ 3.68Å; V222-F240 HydrophobicContact CG1-CD1 3.75Å; V222-F240 HydrophobicContact CG1-CE1 4.03Å; V222-F240 HydrophobicContact CG1-CG 4.28Å; V222-F240 HydrophobicContact CG2-CG 4.46Å; L224-F240 HydrophobicContact CD2-CD1 4.36Å; L224-F240 HydrophobicContact CD2-CE1 4.33Å; A232-F240 HydrophobicContact CB-CE1 4.27Å; A232-F240 HydrophobicContact CB-CZ 4.46Å; C238-F240 HydrophobicContact CB-CD2 4.32Å; C238-F240 HydrophobicContact CB-CE1 4.12Å; C238-F240 HydrophobicContact CB-CE2 3.63Å; C238-F240 HydrophobicContact CB-CZ 3.51Å; F240-F294 HydrophobicContact CB-CD1 4.21Å; F240-F294 HydrophobicContact CB-CE1 3.71Å; F240-A296 HydrophobicContact CB-CB 4.14Å; F240-A296 HydrophobicContact CD1-CB 4.06Å; F240-V299 HydrophobicContact CD1-CG1 4.29Å; F240-V299 HydrophobicContact CD1-CG2 3.85Å; F240-V299 HydrophobicContact CE1-CG1 3.92Å; F240-V299 HydrophobicContact CE1-CG2 3.88Å
241	I	92.6	Very high	83.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.2	173.6	-61	169.1	0	0	0	107.6	F110 V113 L130 I131 K132 A296 C297 T298 I300	F110-I241 HydrophobicContact CB-CG2 4.42Å; F110-I241 WeakPolarHBondContact O-CD1 3.42Å; V113-I241 HydrophobicContact CG2-CD1 4.32Å; V113-I241 HydrophobicContact CG2-CG2 3.74Å; L130-I241 HydrophobicContact CD1-CG2 3.83Å; L130-I241 HydrophobicContact CG-CG2 4.45Å; I131-I241 WeakPolarHBondContact O-CA 3.48Å; K132-I241 HydrophobicContact CB-CG1 4.14Å; K132-I241 HydrophobicContact CD-CD1 4.46Å; K132-I241 HydrophobicContact CD-CG1 4.25Å; K132-I241 HydrophobicContact CG-CG1 3.87Å; I241-A296 CarbonylContact O-C 3.54Å; I241-A296 WeakPolarHBondContact O-CA 3.37Å; I241-C297 PolarHBondContact O-N 3.49Å; I241-T298 PolarHBondContact N-O 3.3Å; I241-T298 PolarHBondContact O-N 3.49Å; I241-T298 VanDerWaalsContact O-N 3.13Å; I241-I300 HydrophobicContact CD1-CD1 3.99Å
242	G	92.2	Very high	82.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	-149.1	-177.7	0	0	0	0	0	113	L130 I131 L295	L130-G242 WeakPolarHBondContact CA-O 3.48Å; I131-G242 PolarHBondContact N-O 3.06Å; I131-G242 PolarHBondContact O-N 2.86Å; G242-L295 CarbonylContact C-O 3.57Å; G242-L295 VanDerWaalsContact CA-O 3.25Å; G242-L295 WeakPolarHBondContact CA-O 3.31Å
243	T	92.5	Very high	81.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.1	-174.5	58.3	0	0	0	0	112.4	F77 R129 L295	F77-T243 HydrophobicContact CB-CG2 3.79Å; F77-T243 HydrophobicContact CD1-CG2 3.09Å; F77-T243 HydrophobicContact CE1-CG2 3.81Å; F77-T243 HydrophobicContact CG-CG2 3.67Å; R129-T243 WeakPolarHBondContact O-CA 3.35Å; R129-T243 WeakPolarHBondContact O-CG2 3.26Å; T243-L295 PolarHBondContact N-O 3.5Å; T243-L295 PolarHBondContact O-N 2.99Å
244	L	93	Very high	80	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.5	168.3	-166.2	81.9	0	0	0	108.8	L122 L127 G128 F294	L122-L244 HydrophobicContact CD1-CD1 4.31Å; L127-L244 HydrophobicContact CD2-CB 4.17Å; L127-L244 HydrophobicContact CD2-CD2 3.61Å; L127-L244 HydrophobicContact CD2-CG 3.83Å; L127-L244 WeakPolarHBondContact CD2-O 3.29Å; L127-L244 HydrophobicContact CG-CD2 4.14Å; G128-L244 PolarHBondContact N-O 2.98Å; G128-L244 VanDerWaalsContact N-O 3.13Å; L244-F294 HydrophobicContact CD1-CD2 4.35Å
245	I	91.8	Very high	78.8	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	163.9	178.8	61.8	163.2	0	0	0	111.1	Y78 F168 I223 I247 A293 L295	Y78-I245 HydrophobicContact CD2-CG2 4.2Å; Y78-I245 HydrophobicContact CE2-CG2 4.24Å; F168-I245 HydrophobicContact CE1-CD1 4.06Å; F168-I245 HydrophobicContact CE2-CD1 3.92Å; F168-I245 HydrophobicContact CZ-CD1 3.49Å; F168-I245 VanDerWaalsContact CZ-CD1 3.49Å; I223-I245 HydrophobicContact CD1-CD1 4.42Å; I245-I247 HydrophobicContact CD1-CD1 4.32Å; I245-I247 HydrophobicContact CD1-CG1 4.17Å; I245-A293 CarbonylContact C-O 3.59Å; I245-A293 HydrophobicContact CG1-CB 4.15Å; I245-A293 VanDerWaalsContact CG1-O 3.29Å; I245-A293 WeakPolarHBondContact CG1-O 3.48Å; I245-A293 PolarHBondContact N-O 3.21Å; I245-A293 PolarHBondContact O-N 2.96Å; I245-L295 HydrophobicContact CD1-CB 3.98Å; I245-L295 HydrophobicContact CG1-CB 4.18Å; I245-L295 HydrophobicContact CG2-CB 4.19Å
246	V	89.4	Confident	77.8	Confident	56 Å²	56	44.8 Å²	44.8	34%	0.339	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	177.2	-172.2	0	0	0	0	108.8	L127 Y290 R291	L127-V246 HydrophobicContact CD1-CG2 3.92Å; L127-V246 HydrophobicContact CD2-CG2 3.49Å; L127-V246 VanDerWaalsContact CD2-CG2 3.49Å; L127-V246 HydrophobicContact CG-CG2 4.38Å; V246-Y290 HydrophobicContact CG1-CD1 3.47Å; V246-Y290 VanDerWaalsContact CG1-CD1 3.47Å; V246-Y290 HydrophobicContact CG1-CE1 4.45Å; V246-Y290 HydrophobicContact CG1-CG 3.62Å; V246-R291 CarbonylContact C-O 3.6Å; V246-R291 WeakPolarHBondContact CA-O 2.86Å
247	I	84.5	Confident	76.5	Confident	12 Å²	12	46 Å²	46	6%	0.062	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.5	179.6	-58.4	175.1	0	0	0	108.3	I223 I245 R291 A293	I223-I247 HydrophobicContact CD1-CD1 3.68Å; I245-I247 HydrophobicContact CD1-CD1 4.32Å; I245-I247 HydrophobicContact CD1-CG1 4.17Å; I247-R291 HydrophobicContact CB-CG 3.94Å; I247-R291 PolarHBondContact N-O 2.88Å; I247-R291 WeakPolarHBondContact O-CG 3.22Å; I247-R291 PolarHBondContact O-N 3.1Å; I247-A293 HydrophobicContact CD1-CB 3.52Å; I247-A293 HydrophobicContact CG1-CB 4.11Å
248	P	80.5	Confident	74.9	Confident	34 Å²	34	48.1 Å²	48.1	22%	0.221	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.7	172.9	28.8	-32.8	0	0	0	110.3	V250 L253 Y290	P248-V250 PolarHBondContact O-N 3.45Å; P248-L253 HydrophobicContact CB-CD1 4.37Å; P248-Y290 HydrophobicContact CB-CD1 4.13Å; P248-Y290 HydrophobicContact CB-CE1 3.91Å
249	D	72.8	Confident	72.7	Confident	65 Å²	65	59.5 Å²	59.5	35%	0.348	35%	0.35	S	S	.	.			trans	-76.1	105.8	173.1	-170.3	-3.5	0	0	0	110.1	G251 S289	D249-G251 PolarHBondContact O-N 3.21Å; D249-G251 PolarHBondContact OD1-N 3.3Å; D249-G251 VanDerWaalsContact OD1-N 3.15Å; D249-S289 WeakPolarHBondContact CB-OG 3.04Å; D249-S289 PolarHBondContact N-O 3.2Å
250	V	68.7	Low	70.5	Confident	73 Å²	73	62.9 Å²	62.9	44%	0.442	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-22	-178	-110.9	0	0	0	0	112.9	K169 P248 L253 A254	K169-V250 HydrophobicContact CD-CG1 4.38Å; K169-V250 HydrophobicContact CG-CG1 4.3Å; P248-V250 PolarHBondContact O-N 3.45Å; V250-L253 HydrophobicContact CG1-CD1 4.19Å; V250-L253 WeakPolarHBondContact O-CB 3.42Å; V250-L253 PolarHBondContact O-N 3.3Å; V250-A254 PolarHBondContact O-N 3.49Å
251	G	64.1	Low	68.1	Low	43 Å²	43	71.2 Å²	71.2	44%	0.443	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-41.2	178.7	0	0	0	0	0	112.3	D249 A254 T255	D249-G251 PolarHBondContact O-N 3.21Å; D249-G251 PolarHBondContact OD1-N 3.3Å; D249-G251 VanDerWaalsContact OD1-N 3.15Å; G251-A254 PolarHBondContact O-N 3.32Å; G251-T255 PolarHBondContact O-N 3.41Å; G251-T255 PolarHBondContact O-OG1 2.85Å; G251-T255 VanDerWaalsContact O-OG1 3.05Å
252	Q	59.2	Low	65.6	Low	109 Å²	109	79.8 Å²	79.8	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-73.9	-28.9	177.5	-58.8	-168.5	21.6	0	0	112.1	A254 T255 S289	Q252-A254 PolarHBondContact O-N 3.15Å; Q252-T255 PolarHBondContact O-N 2.93Å; Q252-S289 PolarHBondContact NE2-OG 3.48Å; Q252-S289 PolarHBondContact OE1-OG 2.95Å
253	L	56.7	Low	63.2	Low	47 Å²	47	83.3 Å²	83.3	25%	0.246	50%	0.496	C	S	.	.	H	α-helix	trans	-63.6	-26.5	172.2	-88.9	145.7	0	0	0	113.5	P248 V250 L288	P248-L253 HydrophobicContact CB-CD1 4.37Å; V250-L253 HydrophobicContact CG1-CD1 4.19Å; V250-L253 WeakPolarHBondContact O-CB 3.42Å; V250-L253 PolarHBondContact O-N 3.3Å; L253-L288 HydrophobicContact CD2-CD2 4.29Å; L253-L288 HydrophobicContact CG-CD2 4.45Å
254	A	55.6	Low	60.9	Low	81 Å²	81	92.7 Å²	92.7	67%	0.669	54%	0.536	S	S	*	.	H	α-helix	trans	-89.5	-16.5	179.9	0	0	0	0	0	113.5	V250 G251 Q252 P256	V250-A254 PolarHBondContact O-N 3.49Å; G251-A254 PolarHBondContact O-N 3.32Å; Q252-A254 PolarHBondContact O-N 3.15Å; A254-P256 VanDerWaalsContact O-CD 3.3Å; A254-P256 WeakPolarHBondContact O-CD 3.42Å
255	T	56.6	Low	58.6	Low	101 Å²	101	98 Å²	98	62%	0.62	57%	0.571	S	S	*	*			trans	-85.2	113.9	-176.9	-47.3	0	0	0	0	110.1	G251 Q252 G257	G251-T255 PolarHBondContact O-N 3.41Å; G251-T255 PolarHBondContact O-OG1 2.85Å; G251-T255 VanDerWaalsContact O-OG1 3.05Å; Q252-T255 PolarHBondContact O-N 2.93Å; T255-G257 PolarHBondContact O-N 3.41Å
256	P	53.8	Low	56.6	Low	129 Å²	129	105.7 Å²	105.7	84%	0.838	61%	0.612	S	S	*	*			trans	-82.8	100.2	178.3	30.5	-25.9	0	0	0	109.1	A254	A254-P256 VanDerWaalsContact O-CD 3.3Å; A254-P256 WeakPolarHBondContact O-CD 3.42Å
257	G	51.9	Low	54.3	Low	66 Å²	66	115.3 Å²	115.3	68%	0.68	64%	0.642	S	S	*	*			trans	-145.6	-56.1	-172.7	0	0	0	0	0	115.9	T255	T255-G257 PolarHBondContact O-N 3.41Å
258	D	48.5	Very low	52.1	Low	150 Å²	150	118.3 Å²	118.3	80%	0.802	68%	0.676	S	S	*	*			trans	-102.2	115.4	-169.7	-104.4	-38.7	0	0	0	113.6
259	R	41.5	Very low	50.4	Low	240 Å²	240	127.5 Å²	127.5	91%	0.906	71%	0.706	S	S	*	*			trans	-110.6	100.2	172.3	-74	-178.6	169.4	-178.3	-1.5	108.4
260	S	43	Very low	48.9	Very low	93 Å²	93	130.6 Å²	130.6	65%	0.65	72%	0.723	S	S	*	*			trans	-85.4	131.7	162.7	49.5	0	0	0	0	110.1
261	L	41.5	Very low	47.6	Very low	177 Å²	177	134.9 Å²	134.9	93%	0.927	74%	0.743	S	S	*	*			trans	-88.2	111.8	-179.8	-74.4	154.6	0	0	0	109.1
262	E	39.6	Very low	46.4	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-101.5	127.5	157.6	-75.9	-164.9	157.6	0	0	110.5
263	G	42.8	Very low	45.7	Very low	74 Å²	74	145.2 Å²	145.2	76%	0.763	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.9	137.6	-169.7	0	0	0	0	0	113.8
264	K	44.1	Very low	45.1	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-57	130.1	167.2	-70.8	174.5	178.5	172.4	0	109.5	L266	K264-L266 PolarHBondContact O-N 2.63Å
265	P	45.2	Very low	44.2	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.5	129.2	161.5	26.3	-29.9	0	0	0	108.5	R267	P265-R267 PolarHBondContact O-N 2.86Å
266	L	48.9	Very low	43.4	Very low	173 Å²	173	149 Å²	149	91%	0.906	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.2	174.2	-108	77.5	0	0	0	109.4	K264 G268	K264-L266 PolarHBondContact O-N 2.63Å; L266-G268 PolarHBondContact O-N 2.99Å
267	R	41.4	Very low	43.1	Very low	257 Å²	257	149.9 Å²	149.9	97%	0.97	82%	0.819	S	S	*	*			trans	-63.9	97.3	173.9	-82.6	-178.6	164.8	179.2	-5.2	110.1	P265	P265-R267 PolarHBondContact O-N 2.86Å
268	G	38.5	Very low	43.1	Very low	75 Å²	75	152.1 Å²	152.1	77%	0.773	82%	0.82	S	S	*	*			trans	-80.2	130.4	154.1	0	0	0	0	0	109.5	L266	L266-G268 PolarHBondContact O-N 2.99Å
269	R	43.7	Very low	43.2	Very low	228 Å²	228	147.6 Å²	147.6	86%	0.86	81%	0.809	S	S	*	*			trans	-74.2	151.1	-177.6	-169.7	178.7	168.4	172.4	-2	110
270	D	42.2	Very low	43.8	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	80%	0.803	S	S	*	*			trans	81.7	88.4	169.4	-52.3	-34.8	0	0	0	117.8
271	N	40.3	Very low	44	Very low	162 Å²	162	148.1 Å²	148.1	87%	0.866	81%	0.812	S	S	*	*				-173.3	110.1	116.9	-96.2	-12.6	0	0	0	109.2	E273	N271-E273 PolarHBondContact O-N 2.95Å
272	Q	40.2	Very low	44.5	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	80%	0.804	S	S	*	*			trans	-67	117.3	158.4	-73.4	170.8	-11.7	0	0	106.6
273	E	44.7	Very low	45	Very low	183 Å²	183	142 Å²	142	86%	0.855	80%	0.798	S	S	*	*			trans	167.4	141.3	144.8	-91.8	163.9	-161.9	0	0	108.5	N271	N271-E273 PolarHBondContact O-N 2.95Å
274	I	43.6	Very low	45.1	Very low	168 Å²	168	141.2 Å²	141.2	86%	0.862	79%	0.79	S	S	*	*			trans	81.1	82.8	179	-43.6	167.9	0	0	0	114	G276	I274-G276 PolarHBondContact O-N 3.29Å
275	G	36.9	Very low	45.6	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	78%	0.782	S	S	*	*			trans	-64.5	98.7	168.6	0	0	0	0	0	111.9
276	G	40.4	Very low	46.1	Very low	57 Å²	57	139 Å²	139	59%	0.588	77%	0.773	S	S	*	*			trans	-81.2	139.8	165.2	0	0	0	0	0	111.6	I274 T278	I274-G276 PolarHBondContact O-N 3.29Å; G276-T278 WeakPolarHBondContact O-CG2 3.39Å; G276-T278 PolarHBondContact O-N 2.6Å
277	V	46.3	Very low	46.5	Very low	147 Å²	147	138.7 Å²	138.7	89%	0.891	77%	0.767	S	S	*	*			trans	-57.1	113.7	-176.5	-173	0	0	0	0	111.5	G279	V277-G279 PolarHBondContact O-N 2.82Å
278	T	51.2	Low	47.7	Very low	114 Å²	114	130.4 Å²	130.4	70%	0.699	74%	0.742	S	S	*	*			trans	-90.8	19.5	-174.3	51	0	0	0	0	114.8	G276	G276-T278 WeakPolarHBondContact O-CG2 3.39Å; G276-T278 PolarHBondContact O-N 2.6Å
279	G	51.8	Low	49.6	Very low	54 Å²	54	128.5 Å²	128.5	56%	0.557	72%	0.717	S	S	*	*	S	Bend	trans	-74.1	-36.4	-167.4	0	0	0	0	0	116.5	V277	V277-G279 PolarHBondContact O-N 2.82Å
280	L	53.3	Low	51.5	Low	150 Å²	150	124.2 Å²	124.2	79%	0.785	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-90.2	-13.9	-174.1	-82.4	96.2	0	0	0	114.9	A282 L283	L280-A282 PolarHBondContact O-N 3.04Å; L280-A282 VanDerWaalsContact O-N 3.13Å; L280-L283 PolarHBondContact O-N 3.27Å
281	K	48.4	Very low	53.5	Low	195 Å²	195	123.5 Å²	123.5	85%	0.848	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-68.1	-10.2	-178.3	-77.6	-178.1	175.3	177	0	114.7
282	A	51.6	Low	55.8	Low	92 Å²	92	119.8 Å²	119.8	76%	0.76	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-89.9	-12.3	178.7	0	0	0	0	0	113.6	L280 G284	L280-A282 PolarHBondContact O-N 3.04Å; L280-A282 VanDerWaalsContact O-N 3.13Å; A282-G284 PolarHBondContact O-N 3.14Å
283	L	49.8	Very low	58.2	Low	136 Å²	136	110.9 Å²	110.9	71%	0.712	63%	0.631	S	S	*	*	S	Bend	trans	-92.6	89.9	171.4	-74	164.8	0	0	0	107.4	L280	L280-L283 PolarHBondContact O-N 3.27Å
284	G	44.7	Very low	60.5	Low	58 Å²	58	102.2 Å²	102.2	60%	0.598	59%	0.59	S	S	*	*			trans	-49.7	142.6	167.8	0	0	0	0	0	110.1	A282 R286	A282-G284 PolarHBondContact O-N 3.14Å; G284-R286 PolarHBondContact O-N 3.48Å
285	V	54.7	Low	62.8	Low	114 Å²	114	94.8 Å²	94.8	69%	0.691	55%	0.552	S	S	*	*			trans	-63.8	96.2	-178	-175	0	0	0	0	108.2
286	R	55.3	Low	65.5	Low	155 Å²	155	90.9 Å²	90.9	59%	0.585	51%	0.512	S	S	*	.			trans	-76.8	140.7	167.3	-66.5	-179.6	178.7	-169.2	-3.1	107.3	G284 L288	G284-R286 PolarHBondContact O-N 3.48Å; R286-L288 PolarHBondContact O-N 3.4Å
287	E	58.3	Low	67.7	Low	167 Å²	167	88.8 Å²	88.8	78%	0.78	49%	0.488	S	S	*	.			trans	-62.7	110.6	163.9	-68.1	-168	172	0	0	107.5
288	L	66.8	Low	69.7	Low	83 Å²	83	82.3 Å²	82.3	44%	0.435	45%	0.449	S	S	.	.			trans	-97.7	106.2	179	-69.8	167.4	0	0	0	107.2	L253 R286 Y290	L253-L288 HydrophobicContact CD2-CD2 4.29Å; L253-L288 HydrophobicContact CG-CD2 4.45Å; R286-L288 PolarHBondContact O-N 3.4Å; L288-Y290 HydrophobicContact CB-CD2 4.21Å; L288-Y290 HydrophobicContact CB-CE2 3.6Å; L288-Y290 HydrophobicContact CD1-CE2 4.4Å; L288-Y290 WeakPolarHBondContact O-CD2 3.46Å
289	S	78.2	Confident	71.4	Confident	36 Å²	36	77.3 Å²	77.3	25%	0.252	42%	0.418	S	S	.	.			trans	-78.7	126.9	169.1	60.6	0	0	0	0	109.6	D249 Q252	D249-S289 WeakPolarHBondContact CB-OG 3.04Å; D249-S289 PolarHBondContact N-O 3.2Å; Q252-S289 PolarHBondContact NE2-OG 3.48Å; Q252-S289 PolarHBondContact OE1-OG 2.95Å
290	Y	82.8	Confident	73	Confident	138 Å²	138	76.7 Å²	76.7	54%	0.541	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.3	-178.1	-79.3	-66.8	0	0	0	109.6	V246 P248 L288	V246-Y290 HydrophobicContact CG1-CD1 3.47Å; V246-Y290 VanDerWaalsContact CG1-CD1 3.47Å; V246-Y290 HydrophobicContact CG1-CE1 4.45Å; V246-Y290 HydrophobicContact CG1-CG 3.62Å; P248-Y290 HydrophobicContact CB-CD1 4.13Å; P248-Y290 HydrophobicContact CB-CE1 3.91Å; L288-Y290 HydrophobicContact CB-CD2 4.21Å; L288-Y290 HydrophobicContact CB-CE2 3.6Å; L288-Y290 HydrophobicContact CD1-CE2 4.4Å; L288-Y290 WeakPolarHBondContact O-CD2 3.46Å
291	R	83.9	Confident	74.1	Confident	114 Å²	114	71.6 Å²	71.6	43%	0.43	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142	171	66.5	176.6	-178.9	-175.1	-2.2	110.3	E221 V246 I247	E221-R291 IonicContact OE2-CZ 3.21Å; E221-R291 IonicContact OE2-NH1 3.24Å; V246-R291 CarbonylContact C-O 3.6Å; V246-R291 WeakPolarHBondContact CA-O 2.86Å; I247-R291 HydrophobicContact CB-CG 3.94Å; I247-R291 PolarHBondContact N-O 2.88Å; I247-R291 WeakPolarHBondContact O-CG 3.22Å; I247-R291 PolarHBondContact O-N 3.1Å
292	T	88.6	Confident	75	Confident	84 Å²	84	64.7 Å²	64.7	52%	0.515	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.9	172.6	53.7	0	0	0	0	110
293	A	90.9	Very high	75.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157	171.1	0	0	0	0	0	109.3	I223 I245 I247	I223-A293 HydrophobicContact CD1-CB 4.25Å; I245-A293 CarbonylContact C-O 3.59Å; I245-A293 HydrophobicContact CG1-CB 4.15Å; I245-A293 VanDerWaalsContact CG1-O 3.29Å; I245-A293 WeakPolarHBondContact CG1-O 3.48Å; I245-A293 PolarHBondContact N-O 3.21Å; I245-A293 PolarHBondContact O-N 2.96Å; I247-A293 HydrophobicContact CD1-CB 3.52Å; I247-A293 HydrophobicContact CG1-CB 4.11Å
294	F	93.1	Very high	75.5	Confident	1 Å²	1	57 Å²	57	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.2	176.8	-169.6	-94.5	0	0	0	109.3	I131 V133 L220 E221 V222 I223 F240 L244 A296	I131-F294 HydrophobicContact CB-CE2 4.48Å; V133-F294 HydrophobicContact CG2-CD2 4.3Å; V133-F294 HydrophobicContact CG2-CE2 3.72Å; V133-F294 HydrophobicContact CG2-CZ 3.96Å; L220-F294 HydrophobicContact CD2-CB 3.83Å; L220-F294 HydrophobicContact CD2-CG 4.44Å; L220-F294 HydrophobicContact CG-CB 4.3Å; E221-F294 PolarHBondContact O-N 3.38Å; V222-F294 CarbonylContact C-O 3.58Å; V222-F294 VanDerWaalsContact CA-O 3.27Å; V222-F294 WeakPolarHBondContact CA-O 3.41Å; V222-F294 HydrophobicContact CG1-CD1 4.28Å; V222-F294 HydrophobicContact CG2-CB 4.2Å; V222-F294 HydrophobicContact CG2-CD1 4.32Å; I223-F294 PolarHBondContact N-O 3.38Å; F240-F294 HydrophobicContact CB-CD1 4.21Å; F240-F294 HydrophobicContact CB-CE1 3.71Å; L244-F294 HydrophobicContact CD1-CD2 4.35Å; F294-A296 HydrophobicContact CD1-CB 4.08Å; F294-A296 HydrophobicContact CE1-CB 3.96Å
295	L	92.6	Very high	76	Confident	12 Å²	12	63 Å²	63	6%	0.063	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105.5	174.6	179	65	0	0	0	108	I223 R225 G242 T243 I245	I223-L295 HydrophobicContact CB-CD1 4.07Å; I223-L295 HydrophobicContact CG2-CD1 3.63Å; R225-L295 HydrophobicContact CG-CD1 4.29Å; G242-L295 CarbonylContact C-O 3.57Å; G242-L295 VanDerWaalsContact CA-O 3.25Å; G242-L295 WeakPolarHBondContact CA-O 3.31Å; T243-L295 PolarHBondContact N-O 3.5Å; T243-L295 PolarHBondContact O-N 2.99Å; I245-L295 HydrophobicContact CD1-CB 3.98Å; I245-L295 HydrophobicContact CG1-CB 4.18Å; I245-L295 HydrophobicContact CG2-CB 4.19Å
296	A	92.2	Very high	75.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.2	178	0	0	0	0	0	110.6	V222 I223 L224 F240 I241 F294	V222-A296 HydrophobicContact CG1-CB 3.75Å; I223-A296 PolarHBondContact O-N 2.76Å; L224-A296 HydrophobicContact CD2-CB 3.78Å; F240-A296 HydrophobicContact CB-CB 4.14Å; F240-A296 HydrophobicContact CD1-CB 4.06Å; I241-A296 CarbonylContact O-C 3.54Å; I241-A296 WeakPolarHBondContact O-CA 3.37Å; F294-A296 HydrophobicContact CD1-CB 4.08Å; F294-A296 HydrophobicContact CE1-CB 3.96Å
297	C	87.3	Confident	75.4	Confident	14 Å²	14	56 Å²	56	10%	0.095	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-21.8	173.5	-59.6	0	0	0	0	112	T228 I241	T228-C297 VanDerWaalsContact CG2-O 3.25Å; T228-C297 WeakPolarHBondContact CG2-O 3.48Å; I241-C297 PolarHBondContact O-N 3.49Å
298	T	87.5	Confident	74.4	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.4	177.6	-41.1	0	0	0	0	109.4	S109 F110 T111 I241 I300	S109-T298 WeakPolarHBondContact CB-OG1 3.45Å; F110-T298 PolarHBondContact N-OG1 2.95Å; F110-T298 WeakPolarHBondContact O-CB 3.26Å; F110-T298 PolarHBondContact O-OG1 3.29Å; T111-T298 HydrophobicContact CG2-CG2 4.32Å; I241-T298 PolarHBondContact N-O 3.3Å; I241-T298 PolarHBondContact O-N 3.49Å; I241-T298 VanDerWaalsContact O-N 3.13Å; T298-I300 HydrophobicContact CG2-CD1 4.45Å; T298-I300 HydrophobicContact CG2-CG1 4.03Å
299	V	87.5	Confident	73	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	169.4	-176.1	0	0	0	0	107.7	L224 L231 A232 C238 F240	L224-V299 HydrophobicContact CD1-CG2 4.08Å; L224-V299 HydrophobicContact CD2-CG2 3.4Å; L224-V299 VanDerWaalsContact CD2-CG2 3.4Å; L224-V299 HydrophobicContact CG-CG2 4.38Å; L231-V299 HydrophobicContact CB-CB 4.41Å; A232-V299 HydrophobicContact CB-CG1 4.11Å; C238-V299 HydrophobicContact CB-CG1 3.92Å; F240-V299 HydrophobicContact CD1-CG1 4.29Å; F240-V299 HydrophobicContact CD1-CG2 3.85Å; F240-V299 HydrophobicContact CE1-CG1 3.92Å; F240-V299 HydrophobicContact CE1-CG2 3.88Å
300	I	84.8	Confident	71.2	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.205	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.8	173.9	-54.5	173.9	0	0	0	107.6	T111 E239 I241 T298 S302	T111-I300 HydrophobicContact CG2-CD1 4.49Å; E239-I300 HydrophobicContact CB-CB 4.48Å; E239-I300 PolarHBondContact N-O 3.47Å; E239-I300 PolarHBondContact O-N 3.45Å; I241-I300 HydrophobicContact CD1-CD1 3.99Å; T298-I300 HydrophobicContact CG2-CD1 4.45Å; T298-I300 HydrophobicContact CG2-CG1 4.03Å; I300-S302 PolarHBondContact O-N 2.93Å
301	P	76.5	Confident	68.9	Low	43 Å²	43	51.7 Å²	51.7	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.5	173.6	26.4	-31.7	0	0	0	109.4	N303 G304	P301-N303 PolarHBondContact O-N 3.47Å; P301-G304 PolarHBondContact O-N 3.42Å; P301-G304 VanDerWaalsContact O-N 3.17Å
302	S	67.1	Low	66.4	Low	51 Å²	51	51.9 Å²	51.9	36%	0.357	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.2	-178.8	66.4	0	0	0	0	112.3	R237 I300	R237-S302 VanDerWaalsContact CB-OG 3.29Å; R237-S302 WeakPolarHBondContact CB-OG 3.29Å; R237-S302 PolarHBondContact O-N 3.5Å; R237-S302 PolarHBondContact O-OG 3.49Å; I300-S302 PolarHBondContact O-N 2.93Å
303	N	59.3	Low	63.6	Low	42 Å²	42	55.4 Å²	55.4	23%	0.225	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.4	-177.2	-64	-7.3	0	0	0	112.4	P301 P412	P301-N303 PolarHBondContact O-N 3.47Å; N303-P412 HydrophobicContact CB-CB 4.04Å; N303-P412 PolarHBondContact ND2-O 2.88Å
304	G	53.2	Low	60.5	Low	24 Å²	24	65.3 Å²	65.3	25%	0.247	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.4	-170.7	0	0	0	0	0	115.9	P301 Y306	P301-G304 PolarHBondContact O-N 3.42Å; P301-G304 VanDerWaalsContact O-N 3.17Å; G304-Y306 PolarHBondContact O-N 3.28Å
305	R	54.4	Low	57.4	Low	185 Å²	185	68.8 Å²	68.8	70%	0.698	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.5	-178.2	-90.7	-173.6	179.1	-179.2	-0.5	114.2
306	Y	49.9	Very low	54.6	Low	78 Å²	78	74.8 Å²	74.8	31%	0.306	39%	0.39	S	S	.	.	S	Bend	trans	-124.2	-1.7	-173.9	-60	-61.6	0	0	0	114.2	G304 R574 A577	G304-Y306 PolarHBondContact O-N 3.28Å; Y306-R574 HydrophobicContact CD1-CG 3.46Å; Y306-R574 VanDerWaalsContact CD1-CG 3.46Å; Y306-R574 VanDerWaalsContact CE1-CD 3.49Å; Y306-R574 HydrophobicContact CE1-CG 3.28Å; Y306-R574 HydrophobicContact CG-CG 4.32Å; Y306-A577 WeakPolarHBondContact O-CB 3.3Å
307	L	49.4	Very low	52.2	Low	42 Å²	42	77.6 Å²	77.6	22%	0.22	41%	0.414	C	S	.	.	S	Bend	trans	-97.6	144	169.4	-72.5	164	0	0	0	107.6	S309 P412 R413	L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.19Å; L307-P412 HydrophobicContact CD1-CB 4.36Å; L307-P412 HydrophobicContact CD1-CG 3.98Å; L307-P412 HydrophobicContact CG-CG 4.35Å; L307-R413 HydrophobicContact CD1-CG 3.87Å
308	P	35.6	Very low	50.4	Low	45 Å²	45	81.4 Å²	81.4	29%	0.292	43%	0.432	S	S	.	.			trans	-57.2	108.6	163.5	17.7	-16.4	0	0	0	105.8	D310 I318	P308-D310 PolarHBondContact O-N 2.91Å; P308-I318 HydrophobicContact CB-CD1 3.67Å; P308-I318 HydrophobicContact CB-CG1 4.01Å; P308-I318 HydrophobicContact CB-CG2 4.1Å; P308-I318 HydrophobicContact CG-CD1 3.45Å; P308-I318 VanDerWaalsContact CG-CD1 3.45Å; P308-I318 HydrophobicContact CG-CG1 4.24Å; P308-I318 HydrophobicContact CG-CG2 4.25Å
309	S	38.4	Very low	48.8	Very low	47 Å²	47	83.1 Å²	83.1	33%	0.329	45%	0.445	S	S	.	.			trans	-52.4	127.7	166.3	25.7	0	0	0	0	107.2	L307 E311 R326	L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 3.19Å; S309-E311 PolarHBondContact O-N 3.08Å; S309-R326 PolarHBondContact OG-NH1 3.4Å
310	D	39.2	Very low	47.6	Very low	144 Å²	144	89 Å²	89	77%	0.77	47%	0.467	S	S	*	.	S	Bend	trans	-61	11.5	172.5	-77.1	-39.7	0	0	0	112.8	P308 L312	P308-D310 PolarHBondContact O-N 2.91Å; D310-L312 PolarHBondContact O-N 3.3Å
311	E	35	Very low	46.6	Very low	98 Å²	98	91.4 Å²	91.4	46%	0.458	48%	0.477	S	S	.	.	S	Bend	trans	-72.4	94.2	167.9	-70.4	179.4	-155.5	0	0	109.2	L231 S309	L231-E311 HydrophobicContact CD2-CG 4.12Å; L231-E311 WeakPolarHBondContact CD2-OE1 3.33Å; S309-E311 PolarHBondContact O-N 3.08Å
312	L	32.5	Very low	45.9	Very low	118 Å²	118	91.3 Å²	91.3	62%	0.618	48%	0.48	S	S	*	.	S	Bend	trans	81.1	80.7	159	-52.1	159.6	0	0	0	115.2	D310	D310-L312 PolarHBondContact O-N 3.3Å
313	E	29.2	Very low	45.7	Very low	159 Å²	159	89.8 Å²	89.8	74%	0.743	47%	0.468	S	S	*	.				-179.3	105	124.1	-96.5	170.8	-157.9	0	0	109.7	S315	E313-S315 PolarHBondContact O-N 2.96Å
314	E	26	Very low	45.9	Very low	207 Å²	207	89.7 Å²	89.7	97%	0.967	47%	0.47	S	S	*	.			trans	-61.6	74.6	157.3	-73	-176	142.2	0	0	109.6
315	S	28.5	Very low	46.5	Very low	75 Å²	75	96.5 Å²	96.5	52%	0.524	49%	0.493	S	S	.	.	S	Bend	trans	173.6	103.1	155.9	50.5	0	0	0	0	112.2	E313 A317	E313-S315 PolarHBondContact O-N 2.96Å; S315-A317 VanDerWaalsContact C-N 3.31Å; S315-A317 PolarHBondContact O-N 3.44Å
316	D	33.6	Very low	47.1	Very low	137 Å²	137	94.6 Å²	94.6	73%	0.733	49%	0.486	S	S	*	.	S	Bend	trans	49.1	8.3	137.5	-74.1	-23.4	0	0	0	123.6	K583	D316-K583 PolarHBondContact O-NZ 2.97Å; D316-K583 VanDerWaalsContact O-NZ 3.17Å
317	A	42	Very low	47.9	Very low	61 Å²	61	92.2 Å²	92.2	50%	0.504	48%	0.478	S	S	.	.			trans	-153	70.3	-179.2	0	0	0	0	0	114.9	S315 S319	S315-A317 VanDerWaalsContact C-N 3.31Å; S315-A317 PolarHBondContact O-N 3.44Å; A317-S319 PolarHBondContact O-N 3.47Å
318	I	49.7	Very low	49.1	Very low	94 Å²	94	93.2 Å²	93.2	48%	0.482	49%	0.486	S	S	.	.			trans	-62.5	95.5	153	-62.4	148	0	0	0	106.6	P308	P308-I318 HydrophobicContact CB-CD1 3.67Å; P308-I318 HydrophobicContact CB-CG1 4.01Å; P308-I318 HydrophobicContact CB-CG2 4.1Å; P308-I318 HydrophobicContact CG-CD1 3.45Å; P308-I318 VanDerWaalsContact CG-CD1 3.45Å; P308-I318 HydrophobicContact CG-CG1 4.24Å; P308-I318 HydrophobicContact CG-CG2 4.25Å
319	S	53.9	Low	51	Low	47 Å²	47	96.3 Å²	96.3	33%	0.329	51%	0.506	S	S	.	.			trans	-76.1	149.3	-178.9	60.8	0	0	0	0	110.1	A317 E321 A322 L323	A317-S319 PolarHBondContact O-N 3.47Å; S319-E321 PolarHBondContact O-N 3.1Å; S319-A322 PolarHBondContact O-N 3.41Å; S319-A322 PolarHBondContact OG-N 2.99Å; S319-L323 PolarHBondContact O-N 3.19Å
320	Y	62.3	Low	53	Low	132 Å²	132	97.8 Å²	97.8	52%	0.518	52%	0.517	S	S	.	.	H	α-helix	trans	-53.5	-26.9	173.5	65.2	-89.6	0	0	0	112	S324	Y320-S324 VanDerWaalsContact O-CB 3.29Å; Y320-S324 WeakPolarHBondContact O-CB 3.33Å; Y320-S324 PolarHBondContact O-N 2.75Å; Y320-S324 PolarHBondContact O-OG 3.16Å
321	E	61.8	Low	54.9	Low	90 Å²	90	92.9 Å²	92.9	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-72	-37.1	178.8	-59.2	-173	174	0	0	113.4	S319 L323 S324 K325	S319-E321 PolarHBondContact O-N 3.1Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-S324 WeakPolarHBondContact CA-OG 3.32Å; E321-S324 PolarHBondContact O-OG 2.62Å; E321-S324 VanDerWaalsContact O-OG 3.08Å; E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 WeakPolarHBondContact O-CG 3.28Å; E321-K325 PolarHBondContact O-N 3.16Å; E321-K325 VanDerWaalsContact O-N 3.13Å
322	A	62.4	Low	57.1	Low	42 Å²	42	90.8 Å²	90.8	35%	0.347	48%	0.481	S	S	.	.	H	α-helix	trans	-69	-39.1	178.5	0	0	0	0	0	110.7	S319 R326	S319-A322 PolarHBondContact O-N 3.41Å; S319-A322 PolarHBondContact OG-N 2.99Å; A322-R326 WeakPolarHBondContact O-CG 3.5Å
323	L	63.4	Low	59.5	Low	19 Å²	19	89.3 Å²	89.3	10%	0.099	47%	0.474	C	S	.	.	H	α-helix	trans	-72.8	-43.4	176.7	-168.2	64.2	0	0	0	111	S319 E321 K325 R326 L327 F578 C581	S319-L323 PolarHBondContact O-N 3.19Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 3.44Å; L323-R326 PolarHBondContact O-N 3.32Å; L323-L327 HydrophobicContact CD1-CD1 3.84Å; L323-L327 HydrophobicContact CG-CD1 3.72Å; L323-L327 WeakPolarHBondContact O-CD1 3.32Å; L323-L327 PolarHBondContact O-N 3.04Å; L323-F578 HydrophobicContact CD2-CB 4.36Å; L323-F578 HydrophobicContact CD2-CD2 4.16Å; L323-C581 VanDerWaalsContact CD2-SG 3.59Å
324	S	64.1	Low	62.1	Low	39 Å²	39	83.8 Å²	83.8	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-32.3	179	70.3	0	0	0	0	113.1	Y320 E321 R326 L327	Y320-S324 VanDerWaalsContact O-CB 3.29Å; Y320-S324 WeakPolarHBondContact O-CB 3.33Å; Y320-S324 PolarHBondContact O-N 2.75Å; Y320-S324 PolarHBondContact O-OG 3.16Å; E321-S324 WeakPolarHBondContact CA-OG 3.32Å; E321-S324 PolarHBondContact O-OG 2.62Å; E321-S324 VanDerWaalsContact O-OG 3.08Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.17Å; S324-L327 PolarHBondContact O-N 3.19Å
325	K	65.7	Low	64.9	Low	168 Å²	168	74.1 Å²	74.1	73%	0.73	41%	0.406	S	S	*	.	H	α-helix	trans	-68.9	-26.5	174	-75	172.5	-174.1	175.2	0	113.7	E321 L323	E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 WeakPolarHBondContact O-CG 3.28Å; E321-K325 PolarHBondContact O-N 3.16Å; E321-K325 VanDerWaalsContact O-N 3.13Å; L323-K325 PolarHBondContact O-N 3.44Å
326	R	65.8	Low	67.5	Low	144 Å²	144	73.2 Å²	73.2	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-83.3	-25.5	177.5	-68.3	-179.4	-174	-165.3	2.4	112.3	S309 A322 L323 S324	S309-R326 PolarHBondContact OG-NH1 3.4Å; A322-R326 WeakPolarHBondContact O-CG 3.5Å; L323-R326 PolarHBondContact O-N 3.32Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.17Å
327	L	68.3	Low	70.1	Confident	28 Å²	28	71.7 Å²	71.7	15%	0.147	39%	0.388	C	S	.	.	S	Bend	trans	-82.6	143.3	-179.7	-85.7	78.2	0	0	0	111.3	L323 S324 E331 L332 I335	L323-L327 HydrophobicContact CD1-CD1 3.84Å; L323-L327 HydrophobicContact CG-CD1 3.72Å; L323-L327 WeakPolarHBondContact O-CD1 3.32Å; L323-L327 PolarHBondContact O-N 3.04Å; S324-L327 PolarHBondContact O-N 3.19Å; L327-E331 HydrophobicContact CD2-CB 4.32Å; L327-L332 HydrophobicContact CB-CD2 4.01Å; L327-L332 HydrophobicContact CB-CG 3.99Å; L327-L332 HydrophobicContact CD2-CD2 3.99Å; L327-I335 HydrophobicContact CD2-CD1 3.35Å
328	T	74.1	Confident	72.1	Confident	63 Å²	63	69 Å²	69	39%	0.387	37%	0.365	S	S	.	.			trans	-68.5	151.2	171.7	59.2	0	0	0	0	110.5	S330 E331 L332	T328-S330 PolarHBondContact O-N 3.49Å; T328-S330 PolarHBondContact OG1-OG 2.86Å; T328-E331 PolarHBondContact N-OE2 3.31Å; T328-E331 WeakPolarHBondContact O-CB 3.4Å; T328-E331 PolarHBondContact O-N 3Å; T328-E331 VanDerWaalsContact O-N 3.09Å; T328-E331 WeakPolarHBondContact OG1-CB 3.45Å; T328-E331 WeakPolarHBondContact OG1-CG 3.28Å; T328-E331 PolarHBondContact OG1-N 3.4Å; T328-E331 PolarHBondContact OG1-OE2 3.23Å; T328-L332 PolarHBondContact O-N 2.81Å; T328-L332 VanDerWaalsContact O-N 3.08Å
329	P	76.1	Confident	73.7	Confident	110 Å²	110	66.2 Å²	66.2	71%	0.714	35%	0.353	S	S	*	.	H	α-helix	trans	-61.5	-30.6	-179.9	23.9	-33.9	0	0	0	112.6	L332 D333	P329-L332 PolarHBondContact O-N 3.28Å; P329-D333 PolarHBondContact O-N 2.68Å
330	S	79.6	Confident	75.1	Confident	79 Å²	79	70.8 Å²	70.8	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-67.3	-39.8	174.6	51.2	0	0	0	0	112.2	T328 D333 T334	T328-S330 PolarHBondContact O-N 3.49Å; T328-S330 PolarHBondContact OG1-OG 2.86Å; S330-D333 PolarHBondContact O-N 2.89Å; S330-T334 WeakPolarHBondContact O-CG2 3.16Å; S330-T334 PolarHBondContact O-N 3.22Å
331	E	79.9	Confident	76.3	Confident	40 Å²	40	67.6 Å²	67.6	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-41	175.4	-72.3	167.4	146.5	0	0	111.3	L327 T328 D333 T334 I335 R574	L327-E331 HydrophobicContact CD2-CB 4.32Å; T328-E331 PolarHBondContact N-OE2 3.31Å; T328-E331 WeakPolarHBondContact O-CB 3.4Å; T328-E331 PolarHBondContact O-N 3Å; T328-E331 VanDerWaalsContact O-N 3.09Å; T328-E331 WeakPolarHBondContact OG1-CB 3.45Å; T328-E331 WeakPolarHBondContact OG1-CG 3.28Å; T328-E331 PolarHBondContact OG1-N 3.4Å; T328-E331 PolarHBondContact OG1-OE2 3.23Å; E331-D333 VanDerWaalsContact C-N 3.32Å; E331-D333 PolarHBondContact O-N 3.16Å; E331-T334 PolarHBondContact O-N 3.45Å; E331-T334 PolarHBondContact O-OG1 3.37Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.42Å; E331-I335 PolarHBondContact O-N 3.42Å; E331-R574 IonicContact OE1-CZ 2.76Å; E331-R574 IonicContact OE1-NE 2.89Å
332	L	79.3	Confident	77.1	Confident	54 Å²	54	75 Å²	75	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.2	-69.9	175.3	0	0	0	112.2	L327 T328 P329 I335 C336	L327-L332 HydrophobicContact CB-CD2 4.01Å; L327-L332 HydrophobicContact CB-CG 3.99Å; L327-L332 HydrophobicContact CD2-CD2 3.99Å; T328-L332 PolarHBondContact O-N 2.81Å; T328-L332 VanDerWaalsContact O-N 3.08Å; P329-L332 PolarHBondContact O-N 3.28Å; L332-I335 PolarHBondContact O-N 2.79Å; L332-C336 WeakPolarHBondContact O-CB 3.39Å; L332-C336 PolarHBondContact O-N 3Å
333	D	84.1	Confident	78.1	Confident	88 Å²	88	80.4 Å²	80.4	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-44.9	174.4	-173.9	20.8	0	0	0	111.1	P329 S330 E331 I335 C336 Q337	P329-D333 PolarHBondContact O-N 2.68Å; S330-D333 PolarHBondContact O-N 2.89Å; E331-D333 VanDerWaalsContact C-N 3.32Å; E331-D333 PolarHBondContact O-N 3.16Å; D333-I335 VanDerWaalsContact C-N 3.31Å; D333-I335 PolarHBondContact O-N 3.12Å; D333-C336 WeakPolarHBondContact O-CB 3.23Å; D333-C336 PolarHBondContact O-N 3.1Å; D333-C336 VanDerWaalsContact O-N 3.15Å; D333-Q337 VanDerWaalsContact CG-NE2 3.26Å; D333-Q337 WeakPolarHBondContact O-CG 3.24Å; D333-Q337 PolarHBondContact O-N 2.65Å; D333-Q337 PolarHBondContact OD1-NE2 3.02Å; D333-Q337 PolarHBondContact OD2-NE2 3.21Å
334	T	83.9	Confident	79.2	Confident	43 Å²	43	79.5 Å²	79.5	26%	0.264	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-39.1	175.3	62.3	0	0	0	0	112.7	S330 E331 Q337 M338	S330-T334 WeakPolarHBondContact O-CG2 3.16Å; S330-T334 PolarHBondContact O-N 3.22Å; E331-T334 PolarHBondContact O-N 3.45Å; E331-T334 PolarHBondContact O-OG1 3.37Å; T334-Q337 PolarHBondContact O-N 3.12Å; T334-M338 WeakPolarHBondContact O-CB 3.15Å; T334-M338 VanDerWaalsContact O-CG 3.23Å; T334-M338 WeakPolarHBondContact O-CG 3.42Å; T334-M338 PolarHBondContact O-N 2.97Å
335	I	83.5	Confident	80.1	Confident	4 Å²	4	78 Å²	78	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-39.8	176.9	-70.2	167.2	0	0	0	110.7	L327 E331 L332 D333 M338 S339 Y575 F578	L327-I335 HydrophobicContact CD2-CD1 3.35Å; E331-I335 VanDerWaalsContact O-CG1 3.32Å; E331-I335 WeakPolarHBondContact O-CG1 3.42Å; E331-I335 PolarHBondContact O-N 3.42Å; L332-I335 PolarHBondContact O-N 2.79Å; D333-I335 VanDerWaalsContact C-N 3.31Å; D333-I335 PolarHBondContact O-N 3.12Å; I335-M338 PolarHBondContact O-N 2.91Å; I335-S339 PolarHBondContact O-N 3.22Å; I335-Y575 HydrophobicContact CB-CD2 4.48Å; I335-Y575 HydrophobicContact CG2-CD2 3.93Å; I335-Y575 HydrophobicContact CG2-CE2 4.16Å; I335-F578 HydrophobicContact CD1-CB 4.41Å; I335-F578 HydrophobicContact CG2-CD1 3.55Å; I335-F578 HydrophobicContact CG2-CE1 3.86Å; I335-F578 HydrophobicContact CG2-CG 4.13Å
336	C	84.7	Confident	81.1	Confident	56 Å²	56	72.8 Å²	72.8	38%	0.378	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-41.8	177.2	-169.2	0	0	0	0	111.7	L332 D333 M338 S339 Q340	L332-C336 WeakPolarHBondContact O-CB 3.39Å; L332-C336 PolarHBondContact O-N 3Å; D333-C336 WeakPolarHBondContact O-CB 3.23Å; D333-C336 PolarHBondContact O-N 3.1Å; D333-C336 VanDerWaalsContact O-N 3.15Å; C336-M338 VanDerWaalsContact C-N 3.33Å; C336-M338 PolarHBondContact O-N 3.01Å; C336-S339 PolarHBondContact O-N 3.37Å; C336-S339 PolarHBondContact O-OG 3.14Å; C336-Q340 WeakPolarHBondContact O-CG 3.27Å; C336-Q340 PolarHBondContact O-N 2.97Å; C336-Q340 PolarHBondContact SG-NE2 2.83Å
337	Q	86.8	Confident	82.1	Confident	105 Å²	105	67.5 Å²	67.5	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.3	-69.5	171.7	24.3	0	0	110.9	D333 T334 S339 Q340	D333-Q337 VanDerWaalsContact CG-NE2 3.26Å; D333-Q337 WeakPolarHBondContact O-CG 3.24Å; D333-Q337 PolarHBondContact O-N 2.65Å; D333-Q337 PolarHBondContact OD1-NE2 3.02Å; D333-Q337 PolarHBondContact OD2-NE2 3.21Å; T334-Q337 PolarHBondContact O-N 3.12Å; Q337-S339 PolarHBondContact O-N 3.47Å; Q337-Q340 PolarHBondContact O-N 3.18Å
338	M	84	Confident	83	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-39.4	176.3	-71.9	-179	69.8	0	0	112.7	T334 I335 C336 Q340 D341 L344 Y567 N571 I572 Y575	T334-M338 WeakPolarHBondContact O-CB 3.15Å; T334-M338 VanDerWaalsContact O-CG 3.23Å; T334-M338 WeakPolarHBondContact O-CG 3.42Å; T334-M338 PolarHBondContact O-N 2.97Å; I335-M338 PolarHBondContact O-N 2.91Å; C336-M338 VanDerWaalsContact C-N 3.33Å; C336-M338 PolarHBondContact O-N 3.01Å; M338-Q340 VanDerWaalsContact C-N 3.3Å; M338-Q340 PolarHBondContact O-N 3.48Å; M338-D341 PolarHBondContact O-N 2.92Å; M338-L344 HydrophobicContact CB-CD1 4.34Å; M338-L344 HydrophobicContact CE-CD1 4.34Å; M338-L344 WeakPolarHBondContact O-CD1 3.49Å; M338-Y567 HydrophobicContact CE-CD1 3.78Å; M338-Y567 HydrophobicContact CE-CD2 4Å; M338-Y567 HydrophobicContact CE-CE1 4.17Å; M338-Y567 HydrophobicContact CE-CE2 4.33Å; M338-Y567 HydrophobicContact CE-CG 3.7Å; M338-Y567 HydrophobicContact CG-CD1 3.79Å; M338-Y567 HydrophobicContact CG-CE1 3.57Å; M338-Y567 HydrophobicContact SD-CD1 3.86Å; M338-Y567 HydrophobicContact SD-CE1 4.26Å; M338-Y567 HydrophobicContact SD-CG 4.31Å; M338-N571 HydrophobicContact SD-CB 4.17Å; M338-I572 HydrophobicContact CE-CG1 4.49Å; M338-Y575 HydrophobicContact CB-CD2 3.9Å; M338-Y575 HydrophobicContact CB-CE2 3.89Å; M338-Y575 HydrophobicContact CE-CD2 4.34Å; M338-Y575 HydrophobicContact CE-CG 4.21Å; M338-Y575 HydrophobicContact SD-CD2 4.42Å
339	S	83.7	Confident	83.6	Confident	35 Å²	35	63.5 Å²	63.5	25%	0.245	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-27.3	-178.4	68.9	0	0	0	0	113.5	I335 C336 Q337 D341	I335-S339 PolarHBondContact O-N 3.22Å; C336-S339 PolarHBondContact O-N 3.37Å; C336-S339 PolarHBondContact O-OG 3.14Å; Q337-S339 PolarHBondContact O-N 3.47Å; S339-D341 VanDerWaalsContact C-N 3.3Å
340	Q	84.4	Confident	84.1	Confident	143 Å²	143	64.7 Å²	64.7	67%	0.668	32%	0.321	S	S	*	.	H	α-helix	trans	-77.2	-16.3	178.4	-68.1	176	20.5	0	0	113.2	C336 Q337 M338 R342	C336-Q340 WeakPolarHBondContact O-CG 3.27Å; C336-Q340 PolarHBondContact O-N 2.97Å; C336-Q340 PolarHBondContact SG-NE2 2.83Å; Q337-Q340 PolarHBondContact O-N 3.18Å; M338-Q340 VanDerWaalsContact C-N 3.3Å; M338-Q340 PolarHBondContact O-N 3.48Å; Q340-R342 PolarHBondContact O-N 2.98Å
341	D	86.2	Confident	84.3	Confident	65 Å²	65	61.3 Å²	61.3	35%	0.348	30%	0.297	S	S	.	.			trans	-70.6	113.6	-177.1	-81	-33.6	0	0	0	112.1	M338 S339 K343 L344 Y567	M338-D341 PolarHBondContact O-N 2.92Å; S339-D341 VanDerWaalsContact C-N 3.3Å; D341-K343 PolarHBondContact O-N 2.91Å; D341-K343 VanDerWaalsContact O-N 3.14Å; D341-L344 HydrophobicContact CB-CB 4.34Å; D341-L344 WeakPolarHBondContact O-CB 3.47Å; D341-L344 PolarHBondContact O-N 3.46Å; D341-Y567 PolarHBondContact OD2-OH 3Å
342	R	80.1	Confident	84.5	Confident	244 Å²	244	60.3 Å²	60.3	92%	0.921	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25	178.5	-64.8	-174.4	179.7	-153.8	0	114.1	Q340	Q340-R342 PolarHBondContact O-N 2.98Å
343	K	83.4	Confident	84.8	Confident	156 Å²	156	58.2 Å²	58.2	68%	0.678	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	20.3	179.4	-65.6	-178.1	-178.6	175.5	0	112.4	D341 L345 T346 N347	D341-K343 PolarHBondContact O-N 2.91Å; D341-K343 VanDerWaalsContact O-N 3.14Å; K343-L345 VanDerWaalsContact C-N 3.3Å; K343-L345 PolarHBondContact O-N 2.97Å; K343-T346 PolarHBondContact O-N 2.9Å; K343-N347 WeakPolarHBondContact O-CB 3.42Å; K343-N347 PolarHBondContact O-N 2.58Å
344	L	85.4	Confident	84.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-47.5	-51.6	-178.3	176.4	65.5	0	0	0	112.1	M338 D341 T346 N347 M348 Y567 Y575 L634	M338-L344 HydrophobicContact CB-CD1 4.34Å; M338-L344 HydrophobicContact CE-CD1 4.34Å; M338-L344 WeakPolarHBondContact O-CD1 3.49Å; D341-L344 HydrophobicContact CB-CB 4.34Å; D341-L344 WeakPolarHBondContact O-CB 3.47Å; D341-L344 PolarHBondContact O-N 3.46Å; L344-T346 PolarHBondContact O-N 2.77Å; L344-N347 PolarHBondContact O-N 2.92Å; L344-N347 VanDerWaalsContact O-N 3.17Å; L344-M348 HydrophobicContact CD1-CG 3.72Å; L344-M348 HydrophobicContact CD1-SD 3.54Å; L344-M348 VanDerWaalsContact CD1-SD 3.54Å; L344-M348 HydrophobicContact CD2-SD 4.18Å; L344-M348 HydrophobicContact CG-CG 4.16Å; L344-M348 HydrophobicContact CG-SD 3.6Å; L344-M348 WeakPolarHBondContact O-CB 3.37Å; L344-M348 VanDerWaalsContact O-CG 3.28Å; L344-M348 WeakPolarHBondContact O-CG 3.49Å; L344-M348 PolarHBondContact O-N 3.5Å; L344-Y567 HydrophobicContact CD1-CE2 4.32Å; L344-Y575 HydrophobicContact CD2-CE1 3.82Å; L344-Y575 VanDerWaalsContact CD2-OH 3.24Å; L344-Y575 WeakPolarHBondContact CD2-OH 3.49Å; L344-L634 HydrophobicContact CD2-CG 4.46Å; L344-L634 WeakPolarHBondContact CD2-O 3.5Å
345	L	83.6	Confident	84.5	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-45.4	-175.8	-173.1	148.4	0	0	0	112.4	K343 C349 K364 L367 L634	K343-L345 VanDerWaalsContact C-N 3.3Å; K343-L345 PolarHBondContact O-N 2.97Å; L345-C349 WeakPolarHBondContact O-CB 3.39Å; L345-C349 PolarHBondContact O-N 2.87Å; L345-C349 PolarHBondContact O-SG 2.93Å; L345-K364 HydrophobicContact CD2-CB 4.16Å; L345-K364 HydrophobicContact CD2-CD 3.48Å; L345-K364 VanDerWaalsContact CD2-CD 3.48Å; L345-K364 VanDerWaalsContact CD2-CE 3.49Å; L345-K364 HydrophobicContact CD2-CG 3.41Å; L345-K364 VanDerWaalsContact CD2-CG 3.41Å; L345-L367 HydrophobicContact CG-CD2 4.22Å; L345-L634 HydrophobicContact CB-CD2 4.01Å; L345-L634 HydrophobicContact CD1-CD2 3.62Å; L345-L634 HydrophobicContact CG-CD2 3.97Å
346	T	86.2	Confident	84.5	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-68.7	-42	176.9	-56.9	0	0	0	0	111.9	K343 L344 C349 K350	K343-T346 PolarHBondContact O-N 2.9Å; L344-T346 PolarHBondContact O-N 2.77Å; T346-C349 PolarHBondContact O-N 3.48Å; T346-K350 HydrophobicContact CG2-CD 4.38Å; T346-K350 WeakPolarHBondContact O-CG 3.39Å; T346-K350 PolarHBondContact O-N 3.48Å
347	N	87	Confident	84.3	Confident	34 Å²	34	59.7 Å²	59.7	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-41.1	-179.5	-69.7	-11	0	0	0	111.2	K343 L344 K350 S351 I566 Y567	K343-N347 WeakPolarHBondContact O-CB 3.42Å; K343-N347 PolarHBondContact O-N 2.58Å; L344-N347 PolarHBondContact O-N 2.92Å; L344-N347 VanDerWaalsContact O-N 3.17Å; N347-K350 PolarHBondContact O-N 3.36Å; N347-S351 PolarHBondContact O-N 3.44Å; N347-S351 PolarHBondContact O-OG 2.87Å; N347-S351 VanDerWaalsContact O-OG 3.1Å; N347-I566 HydrophobicContact CB-CD1 4.29Å; N347-Y567 HydrophobicContact CB-CD2 4.44Å; N347-Y567 HydrophobicContact CB-CE2 3.63Å
348	M	86.8	Confident	84	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-42.2	173.7	-72.9	179.5	84.8	0	0	111.9	L344 K350 S351 L352 L367 Y567 I572 Y575 I576 L634	L344-M348 HydrophobicContact CD1-CG 3.72Å; L344-M348 HydrophobicContact CD1-SD 3.54Å; L344-M348 VanDerWaalsContact CD1-SD 3.54Å; L344-M348 HydrophobicContact CD2-SD 4.18Å; L344-M348 HydrophobicContact CG-CG 4.16Å; L344-M348 HydrophobicContact CG-SD 3.6Å; L344-M348 WeakPolarHBondContact O-CB 3.37Å; L344-M348 VanDerWaalsContact O-CG 3.28Å; L344-M348 WeakPolarHBondContact O-CG 3.49Å; L344-M348 PolarHBondContact O-N 3.5Å; M348-K350 VanDerWaalsContact C-N 3.32Å; M348-K350 PolarHBondContact O-N 2.9Å; M348-S351 WeakPolarHBondContact CA-OG 3.32Å; M348-S351 PolarHBondContact O-N 3.13Å; M348-S351 PolarHBondContact O-OG 3.33Å; M348-L352 WeakPolarHBondContact O-CB 3.3Å; M348-L352 VanDerWaalsContact O-CG 3.27Å; M348-L352 WeakPolarHBondContact O-CG 3.42Å; M348-L352 PolarHBondContact O-N 2.95Å; M348-L367 HydrophobicContact CB-CD1 4.45Å; M348-L367 HydrophobicContact CB-CD2 3.98Å; M348-L367 HydrophobicContact CE-CD1 3.86Å; M348-L367 HydrophobicContact SD-CD1 4.49Å; M348-L367 HydrophobicContact SD-CD2 4.26Å; M348-Y567 HydrophobicContact CG-CD2 4.44Å; M348-Y567 HydrophobicContact CG-CE2 4.5Å; M348-I572 HydrophobicContact CE-CG2 3.57Å; M348-Y575 HydrophobicContact CE-CD1 3.94Å; M348-Y575 HydrophobicContact SD-CD1 4.38Å; M348-Y575 HydrophobicContact SD-CE1 4.45Å; M348-I576 HydrophobicContact CE-CD1 4.45Å; M348-I576 HydrophobicContact CE-CG1 4.24Å; M348-L634 HydrophobicContact CE-CD1 4.18Å; M348-L634 HydrophobicContact SD-CD1 3.83Å
349	C	87.3	Confident	83.7	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-41	176.5	-70.8	0	0	0	0	111.8	L345 T346 F353 K363	L345-C349 WeakPolarHBondContact O-CB 3.39Å; L345-C349 PolarHBondContact O-N 2.87Å; L345-C349 PolarHBondContact O-SG 2.93Å; T346-C349 PolarHBondContact O-N 3.48Å; C349-F353 PolarHBondContact O-N 2.86Å; C349-F353 VanDerWaalsContact O-N 3.16Å; C349-K363 HydrophobicContact CB-CB 3.97Å
350	K	85.6	Confident	83.9	Confident	135 Å²	135	60.3 Å²	60.3	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-69.1	-36.1	177.3	-72.3	179.6	178.7	-173.8	0	112.6	T346 N347 M348	T346-K350 HydrophobicContact CG2-CD 4.38Å; T346-K350 WeakPolarHBondContact O-CG 3.39Å; T346-K350 PolarHBondContact O-N 3.48Å; N347-K350 PolarHBondContact O-N 3.36Å; M348-K350 VanDerWaalsContact C-N 3.32Å; M348-K350 PolarHBondContact O-N 2.9Å
351	S	85	Confident	84	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-77.5	-31.4	178.2	59	0	0	0	0	113.3	N347 M348 I572	N347-S351 PolarHBondContact O-N 3.44Å; N347-S351 PolarHBondContact O-OG 2.87Å; N347-S351 VanDerWaalsContact O-OG 3.1Å; M348-S351 WeakPolarHBondContact CA-OG 3.32Å; M348-S351 PolarHBondContact O-N 3.13Å; M348-S351 PolarHBondContact O-OG 3.33Å; S351-I572 WeakPolarHBondContact OG-CD1 3.41Å
352	L	84.1	Confident	84.2	Confident	20 Å²	20	53 Å²	53	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-73.4	-39	176.1	-75.9	174	0	0	0	112.8	M348 P354 L367 F410 I572	M348-L352 WeakPolarHBondContact O-CB 3.3Å; M348-L352 VanDerWaalsContact O-CG 3.27Å; M348-L352 WeakPolarHBondContact O-CG 3.42Å; M348-L352 PolarHBondContact O-N 2.95Å; L352-P354 VanDerWaalsContact O-CD 3.32Å; L352-P354 WeakPolarHBondContact O-CD 3.3Å; L352-L367 HydrophobicContact CD1-CD1 3.72Å; L352-F410 HydrophobicContact CD2-CD2 3.5Å; L352-F410 HydrophobicContact CD2-CE1 4.45Å; L352-F410 HydrophobicContact CD2-CE2 3.41Å; L352-F410 VanDerWaalsContact CD2-CE2 3.41Å; L352-F410 HydrophobicContact CD2-CG 4.1Å; L352-F410 HydrophobicContact CD2-CZ 3.95Å; L352-I572 HydrophobicContact CD1-CG2 4.47Å; L352-I572 HydrophobicContact CD2-CD1 4Å; L352-I572 HydrophobicContact CD2-CG2 3.98Å; L352-I572 HydrophobicContact CG-CD1 4.13Å; L352-I572 HydrophobicContact CG-CG2 4.36Å
353	F	84.9	Confident	84.8	Confident	9 Å²	9	42 Å²	42	4%	0.039	23%	0.225	C	C	.	.			trans	-122.9	66.9	-175.4	-54.8	-72.8	0	0	0	111.9	C349 T355 I356 K363 I366 F403 H406	C349-F353 PolarHBondContact O-N 2.86Å; C349-F353 VanDerWaalsContact O-N 3.16Å; F353-T355 VanDerWaalsContact C-N 3.28Å; F353-T355 PolarHBondContact O-N 3.4Å; F353-I356 HydrophobicContact CB-CB 4.33Å; F353-I356 HydrophobicContact CD1-CD1 3.95Å; F353-K363 HydrophobicContact CB-CD 4.16Å; F353-K363 HydrophobicContact CD2-CB 3.98Å; F353-K363 HydrophobicContact CD2-CD 4.02Å; F353-K363 HydrophobicContact CD2-CG 3.66Å; F353-K363 HydrophobicContact CE2-CB 4.18Å; F353-K363 HydrophobicContact CE2-CG 4.16Å; F353-K363 HydrophobicContact CG-CD 4.43Å; F353-K363 HydrophobicContact CG-CG 4.29Å; F353-I366 HydrophobicContact CZ-CD1 4.45Å; F353-I366 HydrophobicContact CZ-CG2 4.09Å; F353-F403 HydrophobicContact CD1-CD1 4.08Å; F353-F403 HydrophobicContact CD1-CE1 4.22Å; F353-F403 AromaticContact CE1-CD1 3.79Å; F353-F403 HydrophobicContact CE1-CD1 3.79Å; F353-F403 HydrophobicContact CE1-CE1 4.31Å; F353-F403 HydrophobicContact CG-CE1 4.4Å; F353-F403 HydrophobicContact CZ-CD1 4.15Å; F353-H406 HydrophobicContact CD1-CB 4.17Å; F353-H406 HydrophobicContact CE1-CB 3.82Å
354	P	80.5	Confident	85.1	Confident	57 Å²	57	36.6 Å²	36.6	37%	0.37	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.1	179	28.8	-34.4	0	0	0	112.4	L352	L352-P354 VanDerWaalsContact O-CD 3.32Å; L352-P354 WeakPolarHBondContact O-CD 3.3Å
355	T	81	Confident	85.3	Confident	46 Å²	46	36.6 Å²	36.6	28%	0.282	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.8	-175.7	50.1	0	0	0	0	114	F353 H406 L553	F353-T355 VanDerWaalsContact C-N 3.28Å; F353-T355 PolarHBondContact O-N 3.4Å; T355-H406 PolarHBondContact OG1-CE1 3.46Å; T355-H406 PolarHBondContact OG1-NE2 3.08Å; T355-L553 HydrophobicContact CG2-CD1 4.08Å
356	I	83.1	Confident	85.7	Confident	17 Å²	17	36.1 Å²	36.1	9%	0.087	20%	0.199	C	C	.	.			trans	-108.3	113	-173.9	-56.9	177.1	0	0	0	108.9	F353 K363 Q402 F403	F353-I356 HydrophobicContact CB-CB 4.33Å; F353-I356 HydrophobicContact CD1-CD1 3.95Å; I356-K363 WeakPolarHBondContact O-CE 3.46Å; I356-K363 PolarHBondContact O-NZ 3.27Å; I356-Q402 HydrophobicContact CD1-CB 4.31Å; I356-F403 HydrophobicContact CD1-CD1 3.72Å; I356-F403 HydrophobicContact CD1-CD2 4.47Å; I356-F403 HydrophobicContact CD1-CE1 3.64Å; I356-F403 HydrophobicContact CD1-CE2 4.41Å; I356-F403 HydrophobicContact CD1-CG 4.15Å; I356-F403 HydrophobicContact CD1-CZ 4.02Å; I356-F403 HydrophobicContact CG2-CE1 4.13Å; I356-F403 HydrophobicContact CG2-CE2 4.22Å; I356-F403 HydrophobicContact CG2-CZ 3.64Å
357	H	80.1	Confident	86	Confident	103 Å²	103	33.5 Å²	33.5	48%	0.477	18%	0.182	S	C	.	.			trans	-81.5	138.9	172.8	-173.9	-97.4	0	0	0	110.9	I546	H357-I546 HydrophobicContact CB-CG1 4.31Å
358	G	80.6	Confident	86.2	Confident	29 Å²	29	31.9 Å²	31.9	30%	0.299	17%	0.174	S	C	.	.	S	Bend	trans	81.8	-169.4	176.7	0	0	0	0	0	116	D360 K363	G358-D360 PolarHBondContact O-N 3.21Å; G358-K363 WeakPolarHBondContact O-CE 3.25Å; G358-K363 PolarHBondContact O-NZ 3.4Å
359	A	79.5	Confident	86.4	Confident	39 Å²	39	32.1 Å²	32.1	32%	0.322	18%	0.175	S	C	.	.			trans	50.1	48.6	177.1	0	0	0	0	0	115	E361 V362 K363 L534	A359-E361 VanDerWaalsContact C-N 3.26Å; A359-E361 PolarHBondContact O-N 2.75Å; A359-V362 HydrophobicContact CB-CB 4.2Å; A359-V362 HydrophobicContact CB-CG2 4.01Å; A359-V362 WeakPolarHBondContact O-CB 3.18Å; A359-V362 PolarHBondContact O-N 2.94Å; A359-V362 VanDerWaalsContact O-N 3.08Å; A359-K363 PolarHBondContact O-N 3.31Å; A359-L534 HydrophobicContact CB-CD2 3.83Å
360	D	86.2	Confident	86.5	Confident	90 Å²	90	32.6 Å²	32.6	48%	0.481	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-37.9	-177	-70.8	-19.7	0	0	0	112.4	G358 V362 K363 K364	G358-D360 PolarHBondContact O-N 3.21Å; D360-V362 VanDerWaalsContact C-N 3.27Å; D360-V362 PolarHBondContact O-N 3.2Å; D360-K363 WeakPolarHBondContact O-CB 3.36Å; D360-K363 PolarHBondContact O-N 3.07Å; D360-K363 VanDerWaalsContact O-N 3.16Å; D360-K363 IonicContact OD1-NZ 2.8Å; D360-K364 VanDerWaalsContact O-CG 3.28Å; D360-K364 WeakPolarHBondContact O-CG 3.34Å; D360-K364 PolarHBondContact O-N 3.46Å
361	E	87.8	Confident	86.5	Confident	50 Å²	50	26.1 Å²	26.1	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-36.1	178.5	-50.9	-57.3	168.9	0	0	112.5	A359 K364 G365 F532 L651 K654	A359-E361 VanDerWaalsContact C-N 3.26Å; A359-E361 PolarHBondContact O-N 2.75Å; E361-K364 PolarHBondContact O-N 2.89Å; E361-G365 PolarHBondContact O-N 3.32Å; E361-F532 HydrophobicContact CB-CE1 4.27Å; E361-F532 WeakPolarHBondContact O-CZ 3.49Å; E361-L651 VanDerWaalsContact OE2-CD2 3.26Å; E361-L651 WeakPolarHBondContact OE2-CD2 3.22Å; E361-K654 VanDerWaalsContact CD-CD 3.5Å; E361-K654 HydrophobicContact CG-CD 3.97Å; E361-K654 WeakPolarHBondContact OE1-CD 3.44Å; E361-K654 IonicContact OE1-NZ 3Å; E361-K654 PolarHBondContact OE1-NZ 3.5Å; E361-K654 IonicContact OE2-NZ 4Å
362	V	90.7	Very high	86.5	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-43.9	176.7	-177.7	0	0	0	0	110.6	A359 D360 K364 G365 I366 L392 F403 F532 L534	A359-V362 HydrophobicContact CB-CB 4.2Å; A359-V362 HydrophobicContact CB-CG2 4.01Å; A359-V362 WeakPolarHBondContact O-CB 3.18Å; A359-V362 PolarHBondContact O-N 2.94Å; A359-V362 VanDerWaalsContact O-N 3.08Å; D360-V362 VanDerWaalsContact C-N 3.27Å; D360-V362 PolarHBondContact O-N 3.2Å; V362-K364 VanDerWaalsContact C-N 3.29Å; V362-K364 PolarHBondContact O-N 3.45Å; V362-G365 PolarHBondContact O-N 3.01Å; V362-I366 HydrophobicContact CG1-CD1 3.9Å; V362-I366 HydrophobicContact CG1-CG1 4.4Å; V362-I366 WeakPolarHBondContact O-CG1 3.36Å; V362-I366 PolarHBondContact O-N 3.23Å; V362-L392 HydrophobicContact CG1-CD1 4.47Å; V362-L392 HydrophobicContact CG1-CD2 3.47Å; V362-L392 VanDerWaalsContact CG1-CD2 3.47Å; V362-F403 HydrophobicContact CG1-CE2 4.5Å; V362-F403 HydrophobicContact CG1-CZ 4.43Å; V362-F532 HydrophobicContact CB-CD2 4.4Å; V362-F532 HydrophobicContact CB-CG 4.4Å; V362-F532 HydrophobicContact CG1-CD2 4.22Å; V362-F532 HydrophobicContact CG2-CB 3.65Å; V362-F532 HydrophobicContact CG2-CD1 4.04Å; V362-F532 HydrophobicContact CG2-CD2 4.16Å; V362-F532 HydrophobicContact CG2-CG 3.7Å; V362-L534 HydrophobicContact CG2-CD2 3.94Å
363	K	91.2	Very high	86.5	Confident	12 Å²	12	25.1 Å²	25.1	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-42.3	177.2	-63.4	175.1	-178	167	0	111.1	C349 F353 I356 G358 A359 D360 I366 L367 F403	C349-K363 HydrophobicContact CB-CB 3.97Å; F353-K363 HydrophobicContact CB-CD 4.16Å; F353-K363 HydrophobicContact CD2-CB 3.98Å; F353-K363 HydrophobicContact CD2-CD 4.02Å; F353-K363 HydrophobicContact CD2-CG 3.66Å; F353-K363 HydrophobicContact CE2-CB 4.18Å; F353-K363 HydrophobicContact CE2-CG 4.16Å; F353-K363 HydrophobicContact CG-CD 4.43Å; F353-K363 HydrophobicContact CG-CG 4.29Å; I356-K363 WeakPolarHBondContact O-CE 3.46Å; I356-K363 PolarHBondContact O-NZ 3.27Å; G358-K363 WeakPolarHBondContact O-CE 3.25Å; G358-K363 PolarHBondContact O-NZ 3.4Å; A359-K363 PolarHBondContact O-N 3.31Å; D360-K363 WeakPolarHBondContact O-CB 3.36Å; D360-K363 PolarHBondContact O-N 3.07Å; D360-K363 VanDerWaalsContact O-N 3.16Å; D360-K363 IonicContact OD1-NZ 2.8Å; K363-I366 PolarHBondContact O-N 3.35Å; K363-L367 PolarHBondContact O-N 3.22Å; K363-F403 HydrophobicContact CG-CE1 4.03Å
364	K	90.3	Very high	86.6	Confident	42 Å²	42	25.4 Å²	25.4	18%	0.183	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-46.6	174.6	-63	-175.6	176.2	-178	0	111.7	L345 D360 E361 V362 I366 L367 L368 L651	L345-K364 HydrophobicContact CD2-CB 4.16Å; L345-K364 HydrophobicContact CD2-CD 3.48Å; L345-K364 VanDerWaalsContact CD2-CD 3.48Å; L345-K364 VanDerWaalsContact CD2-CE 3.49Å; L345-K364 HydrophobicContact CD2-CG 3.41Å; L345-K364 VanDerWaalsContact CD2-CG 3.41Å; D360-K364 VanDerWaalsContact O-CG 3.28Å; D360-K364 WeakPolarHBondContact O-CG 3.34Å; D360-K364 PolarHBondContact O-N 3.46Å; E361-K364 PolarHBondContact O-N 2.89Å; V362-K364 VanDerWaalsContact C-N 3.29Å; V362-K364 PolarHBondContact O-N 3.45Å; K364-I366 PolarHBondContact O-N 3.02Å; K364-L367 PolarHBondContact O-N 2.89Å; K364-L368 WeakPolarHBondContact O-CG 3.34Å; K364-L368 PolarHBondContact O-N 3.11Å; K364-L651 HydrophobicContact CB-CD2 4.13Å; K364-L651 HydrophobicContact CD-CD2 4.09Å
365	G	90.5	Very high	86.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-43.3	177.6	0	0	0	0	0	113.2	E361 V362 L368 M369	E361-G365 PolarHBondContact O-N 3.32Å; V362-G365 PolarHBondContact O-N 3.01Å; G365-L368 PolarHBondContact O-N 2.95Å; G365-M369 PolarHBondContact O-N 3.46Å
366	I	92	Very high	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-38.9	176.4	-67	170.1	0	0	0	111.1	F353 V362 K363 K364 M369 L370 F403 V407 L498	F353-I366 HydrophobicContact CZ-CD1 4.45Å; F353-I366 HydrophobicContact CZ-CG2 4.09Å; V362-I366 HydrophobicContact CG1-CD1 3.9Å; V362-I366 HydrophobicContact CG1-CG1 4.4Å; V362-I366 WeakPolarHBondContact O-CG1 3.36Å; V362-I366 PolarHBondContact O-N 3.23Å; K363-I366 PolarHBondContact O-N 3.35Å; K364-I366 PolarHBondContact O-N 3.02Å; I366-M369 HydrophobicContact CG2-CE 4.27Å; I366-M369 WeakPolarHBondContact O-CB 3.48Å; I366-M369 PolarHBondContact O-N 3Å; I366-L370 WeakPolarHBondContact O-CG 2.87Å; I366-L370 PolarHBondContact O-N 3Å; I366-F403 HydrophobicContact CD1-CB 4.07Å; I366-F403 HydrophobicContact CD1-CD1 3.74Å; I366-F403 HydrophobicContact CD1-CE1 4.43Å; I366-F403 HydrophobicContact CD1-CG 4.06Å; I366-V407 HydrophobicContact CG2-CG2 3.57Å; I366-L498 HydrophobicContact CG1-CD1 4.38Å
367	L	91.2	Very high	87.1	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-44.6	175.9	-176.9	68.1	0	0	0	111.5	L345 M348 L352 K363 K364 M369 L370 C371 I576 L634	L345-L367 HydrophobicContact CG-CD2 4.22Å; M348-L367 HydrophobicContact CB-CD1 4.45Å; M348-L367 HydrophobicContact CB-CD2 3.98Å; M348-L367 HydrophobicContact CE-CD1 3.86Å; M348-L367 HydrophobicContact SD-CD1 4.49Å; M348-L367 HydrophobicContact SD-CD2 4.26Å; L352-L367 HydrophobicContact CD1-CD1 3.72Å; K363-L367 PolarHBondContact O-N 3.22Å; K364-L367 PolarHBondContact O-N 2.89Å; L367-M369 VanDerWaalsContact C-N 3.29Å; L367-M369 PolarHBondContact O-N 3.29Å; L367-L370 PolarHBondContact O-N 2.86Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L367-C371 PolarHBondContact O-N 3.09Å; L367-I576 HydrophobicContact CD1-CD1 4.37Å; L367-L634 HydrophobicContact CD2-CD1 4.09Å; L367-L634 HydrophobicContact CD2-CD2 3.97Å; L367-L634 HydrophobicContact CG-CD1 4.25Å
368	L	91.7	Very high	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-35.7	176.3	-65.6	178.6	0	0	0	112.2	K364 G365 L370 C371 G372 L388 L627 A630 T631 L651	K364-L368 WeakPolarHBondContact O-CG 3.34Å; K364-L368 PolarHBondContact O-N 3.11Å; G365-L368 PolarHBondContact O-N 2.95Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-L370 PolarHBondContact O-N 3.37Å; L368-C371 PolarHBondContact O-N 3.49Å; L368-G372 PolarHBondContact O-N 2.88Å; L368-L388 HydrophobicContact CB-CD1 4.29Å; L368-L627 HydrophobicContact CB-CD2 4.48Å; L368-L627 HydrophobicContact CD1-CD2 4.03Å; L368-A630 HydrophobicContact CB-CB 4.48Å; L368-A630 HydrophobicContact CD2-CB 4.4Å; L368-T631 HydrophobicContact CD1-CG2 3.87Å; L368-T631 HydrophobicContact CD2-CG2 3.53Å; L368-T631 HydrophobicContact CG-CG2 4.37Å; L368-L651 HydrophobicContact CD1-CD1 3.54Å
369	M	91.7	Very high	87.5	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-42.1	172.7	-176.3	-168.2	74.5	0	0	111.9	G365 I366 L367 C371 G372 V390 V407 V454 L498	G365-M369 PolarHBondContact O-N 3.46Å; I366-M369 HydrophobicContact CG2-CE 4.27Å; I366-M369 WeakPolarHBondContact O-CB 3.48Å; I366-M369 PolarHBondContact O-N 3Å; L367-M369 VanDerWaalsContact C-N 3.29Å; L367-M369 PolarHBondContact O-N 3.29Å; M369-C371 VanDerWaalsContact C-N 3.34Å; M369-C371 PolarHBondContact O-N 2.98Å; M369-G372 PolarHBondContact O-N 3.02Å; M369-V390 HydrophobicContact CB-CG2 3.94Å; M369-V390 HydrophobicContact CG-CG2 4.15Å; M369-V390 HydrophobicContact SD-CB 4.13Å; M369-V390 HydrophobicContact SD-CG2 3.95Å; M369-V407 HydrophobicContact CE-CG1 4.31Å; M369-V454 HydrophobicContact CE-CG1 3.64Å; M369-V454 HydrophobicContact CE-CG2 4.15Å; M369-V454 HydrophobicContact SD-CG1 4.37Å; M369-L498 HydrophobicContact CE-CB 4.09Å; M369-L498 HydrophobicContact CE-CD2 4.28Å; M369-L498 HydrophobicContact SD-CB 3.94Å; M369-L498 HydrophobicContact SD-CD1 4.27Å
370	L	89	Confident	87.8	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-31.2	178.4	-69.4	171.2	0	0	0	113.4	I366 L367 L368 V407 F410 V454 I576	I366-L370 WeakPolarHBondContact O-CG 2.87Å; I366-L370 PolarHBondContact O-N 3Å; L367-L370 PolarHBondContact O-N 2.86Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-L370 PolarHBondContact O-N 3.37Å; L370-V407 HydrophobicContact CD2-CG1 4.36Å; L370-F410 HydrophobicContact CD1-CD1 3.78Å; L370-F410 HydrophobicContact CD1-CE1 3.89Å; L370-F410 HydrophobicContact CD2-CD1 4.45Å; L370-V454 HydrophobicContact CD2-CG2 3.86Å; L370-I576 HydrophobicContact CB-CD1 4.27Å; L370-I576 HydrophobicContact CD1-CD1 4.46Å
371	C	86.3	Confident	87.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-74.7	-37.9	175.1	-68.3	0	0	0	0	112.5	L367 L368 M369 R580	L367-C371 PolarHBondContact O-N 3.09Å; L368-C371 PolarHBondContact O-N 3.49Å; M369-C371 VanDerWaalsContact C-N 3.34Å; M369-C371 PolarHBondContact O-N 2.98Å; C371-R580 WeakPolarHBondContact O-CG 3.49Å
372	G	83.9	Confident	87.2	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	24%	0.242	C	C	.	.			trans	67.8	157.4	-178.9	0	0	0	0	0	114.4	L368 M369 R633	L368-G372 PolarHBondContact O-N 2.88Å; M369-G372 PolarHBondContact O-N 3.02Å; G372-R633 VanDerWaalsContact O-CD 3.25Å; G372-R633 WeakPolarHBondContact O-CD 3.48Å; G372-R633 PolarHBondContact O-NH1 3.42Å
373	G	85	Confident	86.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.			trans	-91.9	-179.9	174.7	0	0	0	0	0	113	P375 G386 R633	G373-P375 VanDerWaalsContact O-CD 3.31Å; G373-P375 WeakPolarHBondContact O-CD 3.02Å; G373-G386 CarbonylContact C-O 3.57Å; G373-G386 WeakPolarHBondContact CA-O 3.49Å; G373-G386 PolarHBondContact N-O 2.7Å; G373-R633 PolarHBondContact O-NH1 3.29Å
374	V	86.6	Confident	86.4	Confident	14 Å²	14	57.4 Å²	57.4	9%	0.085	29%	0.286	C	S	.	.			trans	-81.7	118.3	-174.7	-175.6	0	0	0	0	110.2	K376 K583 P584 E629	V374-K376 HydrophobicContact CG1-CG 4.17Å; V374-K376 PolarHBondContact O-N 3.1Å; V374-K583 HydrophobicContact CG1-CG 4.49Å; V374-P584 HydrophobicContact CG2-CG 4.02Å; V374-E629 WeakPolarHBondContact CB-OE2 3.44Å; V374-E629 HydrophobicContact CG2-CB 4.28Å; V374-E629 HydrophobicContact CG2-CG 4.39Å; V374-E629 PolarHBondContact N-OE2 2.82Å
375	P	85.4	Confident	86.2	Confident	84 Å²	84	56.3 Å²	56.3	55%	0.545	28%	0.281	S	S	.	.			trans	-69.7	130.3	168.7	29.7	-32.8	0	0	0	108.8	G373	G373-P375 VanDerWaalsContact O-CD 3.31Å; G373-P375 WeakPolarHBondContact O-CD 3.02Å
376	K	84.4	Confident	85.9	Confident	78 Å²	78	56.3 Å²	56.3	34%	0.339	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.5	-178.8	-61.7	172.7	-170.4	171.4	0	109.6	V374 L384 E629	V374-K376 HydrophobicContact CG1-CG 4.17Å; V374-K376 PolarHBondContact O-N 3.1Å; K376-L384 HydrophobicContact CB-CB 4.07Å; K376-L384 HydrophobicContact CB-CD1 4.02Å; K376-L384 PolarHBondContact N-O 3.06Å; K376-L384 WeakPolarHBondContact O-CB 3.47Å; K376-L384 PolarHBondContact O-N 2.86Å; K376-E629 VanDerWaalsContact CE-OE1 3.3Å; K376-E629 WeakPolarHBondContact CE-OE1 3.3Å; K376-E629 IonicContact NZ-OE1 2.83Å; K376-E629 PolarHBondContact NZ-OE1 3.47Å
377	I	85.2	Confident	85.8	Confident	89 Å²	89	57.5 Å²	57.5	46%	0.456	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	172.8	-53.5	177.6	0	0	0	105.9
378	T	83.5	Confident	85.7	Confident	47 Å²	47	57.5 Å²	57.5	29%	0.288	29%	0.287	S	S	.	.			trans	-75.9	166.6	176.6	63.4	0	0	0	0	110.8	E380 K381 T382 L384	T378-E380 PolarHBondContact O-N 2.93Å; T378-E380 PolarHBondContact OG1-N 3.33Å; T378-K381 PolarHBondContact O-N 3.06Å; T378-T382 WeakPolarHBondContact CG2-OG1 3.42Å; T378-T382 PolarHBondContact N-O 2.97Å; T378-T382 PolarHBondContact OG1-N 3.17Å; T378-T382 VanDerWaalsContact OG1-N 3.07Å; T378-T382 PolarHBondContact OG1-O 3.34Å; T378-T382 PolarHBondContact OG1-OG1 3.04Å; T378-L384 HydrophobicContact CG2-CD1 3.81Å; T378-L384 HydrophobicContact CG2-CG 4.01Å
379	E	86	Confident	85.8	Confident	204 Å²	204	57.5 Å²	57.5	95%	0.953	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.7	173.1	-61.7	-178.5	176.5	0	0	112.3	K381	E379-K381 PolarHBondContact O-N 2.79Å
380	E	85.9	Confident	85.8	Confident	169 Å²	169	57.3 Å²	57.3	79%	0.79	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	6.8	176.1	-60.3	-173	164.9	0	0	113.7	T378 T382	T378-E380 PolarHBondContact O-N 2.93Å; T378-E380 PolarHBondContact OG1-N 3.33Å; E380-T382 HydrophobicContact CB-CG2 4.39Å; E380-T382 PolarHBondContact O-N 3.36Å
381	K	78.4	Confident	85.9	Confident	177 Å²	177	56.5 Å²	56.5	77%	0.77	28%	0.282	S	S	*	.			trans	63.4	20.4	-175.8	-55.9	178.4	175.3	-179.1	0	114.5	T378 E379	T378-K381 PolarHBondContact O-N 3.06Å; E379-K381 PolarHBondContact O-N 2.79Å
382	T	82.5	Confident	86.2	Confident	68 Å²	68	56.5 Å²	56.5	42%	0.417	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-82.3	129.1	171.8	67.9	0	0	0	0	109.7	T378 E380 L384	T378-T382 WeakPolarHBondContact CG2-OG1 3.42Å; T378-T382 PolarHBondContact N-O 2.97Å; T378-T382 PolarHBondContact OG1-N 3.17Å; T378-T382 VanDerWaalsContact OG1-N 3.07Å; T378-T382 PolarHBondContact OG1-O 3.34Å; T378-T382 PolarHBondContact OG1-OG1 3.04Å; E380-T382 HydrophobicContact CB-CG2 4.39Å; E380-T382 PolarHBondContact O-N 3.36Å; T382-L384 PolarHBondContact O-N 3.21Å
383	H	82.3	Confident	86.5	Confident	119 Å²	119	56.2 Å²	56.2	55%	0.551	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.1	175.5	-66.8	-79.1	0	0	0	110.3
384	L	83.5	Confident	86.6	Confident	85 Å²	85	56.2 Å²	56.2	45%	0.445	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.2	168.3	-68.4	169.6	0	0	0	108.6	K376 T378 T382 G386	K376-L384 HydrophobicContact CB-CB 4.07Å; K376-L384 HydrophobicContact CB-CD1 4.02Å; K376-L384 PolarHBondContact N-O 3.06Å; K376-L384 WeakPolarHBondContact O-CB 3.47Å; K376-L384 PolarHBondContact O-N 2.86Å; T378-L384 HydrophobicContact CG2-CD1 3.81Å; T378-L384 HydrophobicContact CG2-CG 4.01Å; T382-L384 PolarHBondContact O-N 3.21Å; L384-G386 PolarHBondContact O-N 3.09Å
385	R	86	Confident	86.7	Confident	19 Å²	19	56.2 Å²	56.2	7%	0.072	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.1	127.7	177.9	171.4	169.9	167.2	-133.3	-27.2	111.1	D387 N389 M475 Q478 R527 D529 R626	R385-D387 PolarHBondContact NE-O 2.89Å; R385-D387 PolarHBondContact NH2-O 3.03Å; R385-N389 PolarHBondContact NH1-ND2 2.78Å; R385-N389 VanDerWaalsContact NH1-ND2 3.12Å; R385-N389 PolarHBondContact NH2-ND2 2.78Å; R385-N389 PolarHBondContact NH2-OD1 3.01Å; R385-M475 PolarHBondContact NH1-O 3.03Å; R385-Q478 HydrophobicContact CB-CG 4.33Å; R385-Q478 HydrophobicContact CG-CG 4.32Å; R385-R527 PolarHBondContact NH1-O 3.43Å; R385-R527 VanDerWaalsContact NH1-O 3.1Å; R385-D529 IonicContact CZ-OD2 2.99Å; R385-D529 IonicContact NH2-OD2 2.94Å; R385-D529 PolarHBondContact NH2-OD2 3.3Å; R385-R626 PolarHBondContact O-NE 3.35Å; R385-R626 PolarHBondContact O-NH2 3.04Å
386	G	83.1	Confident	86.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.			trans	-99.9	-21.9	174	0	0	0	0	0	114	G373 L384	G373-G386 CarbonylContact C-O 3.57Å; G373-G386 WeakPolarHBondContact CA-O 3.49Å; G373-G386 PolarHBondContact N-O 2.7Å; L384-G386 PolarHBondContact O-N 3.09Å
387	D	89.6	Confident	86.6	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.134	30%	0.302	C	S	.	.			trans	-81.5	145.3	-172.1	-52.1	-51.9	0	0	0	112.6	R385 Q478	R385-D387 PolarHBondContact NE-O 2.89Å; R385-D387 PolarHBondContact NH2-O 3.03Å; D387-Q478 PolarHBondContact OD2-NE2 3.35Å
388	L	90.7	Very high	86.5	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.289	C	S	.	.			trans	-94.6	137.5	179.1	-68.2	163.7	0	0	0	110.4	L368 S496 D529 R626 L627 A630	L368-L388 HydrophobicContact CB-CD1 4.29Å; L388-S496 VanDerWaalsContact O-CB 3.32Å; L388-S496 WeakPolarHBondContact O-CB 3.37Å; L388-D529 WeakPolarHBondContact CA-OD2 3.36Å; L388-D529 HydrophobicContact CD2-CB 3.96Å; L388-R626 HydrophobicContact CD2-CB 3.63Å; L388-R626 HydrophobicContact CG-CB 4.35Å; L388-L627 HydrophobicContact CD1-CD2 3.67Å; L388-L627 HydrophobicContact CD1-CG 4.46Å; L388-L627 HydrophobicContact CD2-CD2 3.78Å; L388-L627 HydrophobicContact CD2-CG 3.85Å; L388-L627 HydrophobicContact CG-CD2 4.36Å; L388-A630 HydrophobicContact CD1-CB 3.85Å
389	N	92.5	Very high	86.6	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.291	C	S	.	.			trans	-110.3	131.9	174.1	-70.8	-18.3	0	0	0	109.9	R385 M475 I497 F528 D529 L530	R385-N389 PolarHBondContact NH1-ND2 2.78Å; R385-N389 VanDerWaalsContact NH1-ND2 3.12Å; R385-N389 PolarHBondContact NH2-ND2 2.78Å; R385-N389 PolarHBondContact NH2-OD1 3.01Å; N389-M475 HydrophobicContact CB-CE 4.2Å; N389-M475 WeakPolarHBondContact ND2-CE 3.4Å; N389-I497 PolarHBondContact OD1-N 3.3Å; N389-F528 HydrophobicContact CB-CD1 3.64Å; N389-F528 HydrophobicContact CB-CE1 4.09Å; N389-F528 HydrophobicContact CB-CG 4.48Å; N389-D529 PolarHBondContact N-OD2 2.86Å; N389-D529 PolarHBondContact O-N 2.81Å; N389-L530 PolarHBondContact O-N 3.46Å
390	V	92.4	Very high	86.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	-176.2	-178.1	0	0	0	0	109.8	M369 L392 I497 L498 A499 L530 F532	M369-V390 HydrophobicContact CB-CG2 3.94Å; M369-V390 HydrophobicContact CG-CG2 4.15Å; M369-V390 HydrophobicContact SD-CB 4.13Å; M369-V390 HydrophobicContact SD-CG2 3.95Å; V390-L392 HydrophobicContact CG1-CD2 4.28Å; V390-I497 PolarHBondContact N-O 2.73Å; V390-L498 HydrophobicContact CB-CD1 3.96Å; V390-L498 HydrophobicContact CG1-CD1 4.01Å; V390-L498 WeakPolarHBondContact O-CA 3.44Å; V390-A499 PolarHBondContact O-N 3.33Å; V390-L530 HydrophobicContact CG1-CB 4.45Å; V390-L530 HydrophobicContact CG2-CB 4.33Å; V390-L530 HydrophobicContact CG2-CD1 4.32Å; V390-F532 HydrophobicContact CG1-CD2 3.77Å; V390-F532 HydrophobicContact CG1-CE2 3.81Å
391	C	92	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.4	175	-173.2	0	0	0	0	110.7	A499 F528 L530 F531 F532	C391-A499 CarbonylContact C-O 3.6Å; C391-A499 WeakPolarHBondContact CA-O 3.31Å; C391-F528 HydrophobicContact CB-CB 4.46Å; C391-F528 HydrophobicContact CB-CD1 3.8Å; C391-F528 HydrophobicContact CB-CD2 4.28Å; C391-F528 HydrophobicContact CB-CE1 4.05Å; C391-F528 HydrophobicContact CB-CE2 4.48Å; C391-F528 HydrophobicContact CB-CG 3.94Å; C391-F528 HydrophobicContact CB-CZ 4.39Å; C391-L530 PolarHBondContact N-O 3.39Å; C391-F531 HydrophobicContact CB-CD1 3.73Å; C391-F531 HydrophobicContact CB-CE1 3.59Å; C391-F531 HydrophobicContact CB-CZ 4.33Å; C391-F532 PolarHBondContact O-N 2.97Å
392	L	91.7	Very high	87.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.1	173.1	-52.8	-176.9	0	0	0	109.1	V362 V390 K400 F403 L498 A499 A500 A501 F532	V362-L392 HydrophobicContact CG1-CD1 4.47Å; V362-L392 HydrophobicContact CG1-CD2 3.47Å; V362-L392 VanDerWaalsContact CG1-CD2 3.47Å; V390-L392 HydrophobicContact CG1-CD2 4.28Å; L392-K400 HydrophobicContact CB-CD 4.31Å; L392-F403 HydrophobicContact CD1-CB 4.16Å; L392-F403 HydrophobicContact CD1-CD2 4.28Å; L392-F403 HydrophobicContact CD1-CG 4.48Å; L392-L498 HydrophobicContact CD1-CD1 4.41Å; L392-L498 HydrophobicContact CG-CD1 4.29Å; L392-A499 PolarHBondContact N-O 2.82Å; L392-A500 CarbonylContact O-C 3.59Å; L392-A500 WeakPolarHBondContact O-CA 3.2Å; L392-A501 PolarHBondContact O-N 2.9Å; L392-F532 HydrophobicContact CD2-CB 3.95Å; L392-F532 HydrophobicContact CD2-CD2 3.93Å; L392-F532 HydrophobicContact CD2-CG 4.42Å
393	V	89.7	Confident	87.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.6	175.8	-175.2	0	0	0	0	107.2	A501 Y508 I518 F531 F532 V533 L534	V393-A501 WeakPolarHBondContact CA-O 3.06Å; V393-A501 HydrophobicContact CG2-CB 4.47Å; V393-Y508 HydrophobicContact CG1-CD2 4.39Å; V393-Y508 HydrophobicContact CG1-CE2 4.39Å; V393-I518 HydrophobicContact CB-CD1 4.25Å; V393-I518 HydrophobicContact CG1-CD1 3.76Å; V393-I518 HydrophobicContact CG1-CG1 3.99Å; V393-I518 HydrophobicContact CG2-CD1 3.5Å; V393-F531 HydrophobicContact CG2-CD1 4.42Å; V393-F532 PolarHBondContact N-O 3.21Å; V393-V533 HydrophobicContact CB-CG1 4.41Å; V393-V533 HydrophobicContact CB-CG2 4.31Å; V393-V533 HydrophobicContact CG1-CG1 4.4Å; V393-V533 CarbonylContact O-C 3.59Å; V393-V533 VanDerWaalsContact O-CA 3.27Å; V393-V533 WeakPolarHBondContact O-CA 3.42Å; V393-L534 PolarHBondContact O-N 2.58Å
394	G	87.7	Confident	88.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	-176.5	174.8	0	0	0	0	0	114.2	K400 A501 P503 L534	G394-K400 VanDerWaalsContact C-CE 3.45Å; G394-K400 VanDerWaalsContact N-CE 3.25Å; G394-K400 WeakPolarHBondContact O-CE 3.32Å; G394-K400 PolarHBondContact O-NZ 3.4Å; G394-A501 PolarHBondContact N-O 3.25Å; G394-P503 WeakPolarHBondContact O-CD 3.32Å; G394-L534 CarbonylContact C-O 3.6Å; G394-L534 WeakPolarHBondContact CA-O 3.27Å
395	D	87.6	Confident	88.5	Confident	15 Å²	15	26.8 Å²	26.8	8%	0.08	16%	0.158	C	C	.	.			trans	-70.6	159.3	-179.9	-59.1	-39.7	0	0	0	111.1	T398 R507 Y508 L534 D536	D395-T398 HydrophobicContact CB-CG2 4.05Å; D395-T398 WeakPolarHBondContact O-CG2 3.33Å; D395-T398 PolarHBondContact O-OG1 2.76Å; D395-R507 VanDerWaalsContact OD1-CA 3.25Å; D395-R507 WeakPolarHBondContact OD1-CA 3.42Å; D395-Y508 PolarHBondContact OD1-N 2.83Å; D395-L534 PolarHBondContact N-O 2.8Å; D395-D536 HydrophobicContact CB-CB 3.91Å; D395-D536 PolarHBondContact OD2-N 2.85Å
396	P	85.3	Confident	88.7	Confident	72 Å²	72	28 Å²	28	47%	0.468	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	152.6	169.4	25.2	-33	0	0	0	110	T398 G506	P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 3.02Å; P396-G506 WeakPolarHBondContact CD-O 3.39Å
397	S	83	Confident	89.1	Confident	129 Å²	129	28.1 Å²	28.1	90%	0.902	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	2.7	179.1	-50.3	0	0	0	0	117.3	A399	S397-A399 PolarHBondContact O-N 3.05Å
398	T	84.1	Confident	89	Confident	30 Å²	30	30.1 Å²	30.1	18%	0.184	17%	0.174	C	C	.	.	S	Bend	trans	-78.9	34.5	176.6	70.6	0	0	0	0	114.3	D395 P396 K400 L534 D536	D395-T398 HydrophobicContact CB-CG2 4.05Å; D395-T398 WeakPolarHBondContact O-CG2 3.33Å; D395-T398 PolarHBondContact O-OG1 2.76Å; P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 3.02Å; T398-K400 PolarHBondContact O-N 3.25Å; T398-K400 WeakPolarHBondContact OG1-CE 3.48Å; T398-K400 WeakPolarHBondContact OG1-CG 3.39Å; T398-L534 HydrophobicContact CG2-CB 4.5Å; T398-D536 HydrophobicContact CG2-CB 4.09Å
399	A	84.9	Confident	88.7	Confident	40 Å²	40	39 Å²	39	33%	0.331	21%	0.207	S	C	.	.	S	Bend	trans	54.7	15.3	179.9	0	0	0	0	0	117.1	S397 S401 Q402 F403	S397-A399 PolarHBondContact O-N 3.05Å; A399-S401 PolarHBondContact O-N 3.4Å; A399-Q402 HydrophobicContact CB-CB 4.41Å; A399-Q402 HydrophobicContact CB-CG 4.42Å; A399-Q402 WeakPolarHBondContact O-CA 3.16Å; A399-Q402 VanDerWaalsContact O-CB 3.29Å; A399-Q402 WeakPolarHBondContact O-CB 3.48Å; A399-Q402 PolarHBondContact O-N 3.35Å; A399-F403 PolarHBondContact O-N 3.03Å
400	K	87.6	Confident	88.4	Confident	11 Å²	11	39.9 Å²	39.9	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-53	-55.1	-178.8	-63.7	-174.6	-140.8	150.5	0	112.7	L392 G394 T398 Q402 F403 L404 A500 A501 N502 L534	L392-K400 HydrophobicContact CB-CD 4.31Å; G394-K400 VanDerWaalsContact C-CE 3.45Å; G394-K400 VanDerWaalsContact N-CE 3.25Å; G394-K400 WeakPolarHBondContact O-CE 3.32Å; G394-K400 PolarHBondContact O-NZ 3.4Å; T398-K400 PolarHBondContact O-N 3.25Å; T398-K400 WeakPolarHBondContact OG1-CE 3.48Å; T398-K400 WeakPolarHBondContact OG1-CG 3.39Å; K400-Q402 PolarHBondContact O-N 3.22Å; K400-F403 WeakPolarHBondContact O-CB 3.42Å; K400-F403 PolarHBondContact O-N 3.34Å; K400-L404 WeakPolarHBondContact O-CD1 3.37Å; K400-L404 PolarHBondContact O-N 2.96Å; K400-A500 HydrophobicContact CB-CB 4.33Å; K400-A501 PolarHBondContact NZ-O 2.87Å; K400-N502 PolarHBondContact NZ-OD1 3.1Å; K400-L534 HydrophobicContact CG-CD1 3.93Å
401	S	88.4	Confident	87.8	Confident	44 Å²	44	40.9 Å²	40.9	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-21.5	179.7	-50.6	0	0	0	0	113.1	A399 K405 D458	A399-S401 PolarHBondContact O-N 3.4Å; S401-K405 VanDerWaalsContact O-CG 3.27Å; S401-K405 WeakPolarHBondContact O-CG 3.27Å; S401-K405 PolarHBondContact O-N 3Å; S401-D458 WeakPolarHBondContact CB-OD2 3.38Å; S401-D458 PolarHBondContact OG-OD2 3.31Å
402	Q	88.8	Confident	86.8	Confident	94 Å²	94	43.2 Å²	43.2	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-40.2	172.4	-62.1	-65.1	-1.5	0	0	111.3	I356 A399 K400 L404 K405 H406	I356-Q402 HydrophobicContact CD1-CB 4.31Å; A399-Q402 HydrophobicContact CB-CB 4.41Å; A399-Q402 HydrophobicContact CB-CG 4.42Å; A399-Q402 WeakPolarHBondContact O-CA 3.16Å; A399-Q402 VanDerWaalsContact O-CB 3.29Å; A399-Q402 WeakPolarHBondContact O-CB 3.48Å; A399-Q402 PolarHBondContact O-N 3.35Å; K400-Q402 PolarHBondContact O-N 3.22Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; Q402-L404 PolarHBondContact O-N 3.31Å; Q402-K405 PolarHBondContact O-N 3.45Å; Q402-H406 WeakPolarHBondContact O-CB 3.45Å; Q402-H406 PolarHBondContact O-CD2 2.94Å; Q402-H406 PolarHBondContact O-N 3.22Å
403	F	91.9	Very high	86.1	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-46.5	174.1	-73.6	-70	0	0	0	111.8	F353 I356 V362 K363 I366 L392 A399 K400 K405 H406 V407	F353-F403 HydrophobicContact CD1-CD1 4.08Å; F353-F403 HydrophobicContact CD1-CE1 4.22Å; F353-F403 AromaticContact CE1-CD1 3.79Å; F353-F403 HydrophobicContact CE1-CD1 3.79Å; F353-F403 HydrophobicContact CE1-CE1 4.31Å; F353-F403 HydrophobicContact CG-CE1 4.4Å; F353-F403 HydrophobicContact CZ-CD1 4.15Å; I356-F403 HydrophobicContact CD1-CD1 3.72Å; I356-F403 HydrophobicContact CD1-CD2 4.47Å; I356-F403 HydrophobicContact CD1-CE1 3.64Å; I356-F403 HydrophobicContact CD1-CE2 4.41Å; I356-F403 HydrophobicContact CD1-CG 4.15Å; I356-F403 HydrophobicContact CD1-CZ 4.02Å; I356-F403 HydrophobicContact CG2-CE1 4.13Å; I356-F403 HydrophobicContact CG2-CE2 4.22Å; I356-F403 HydrophobicContact CG2-CZ 3.64Å; V362-F403 HydrophobicContact CG1-CE2 4.5Å; V362-F403 HydrophobicContact CG1-CZ 4.43Å; K363-F403 HydrophobicContact CG-CE1 4.03Å; I366-F403 HydrophobicContact CD1-CB 4.07Å; I366-F403 HydrophobicContact CD1-CD1 3.74Å; I366-F403 HydrophobicContact CD1-CE1 4.43Å; I366-F403 HydrophobicContact CD1-CG 4.06Å; L392-F403 HydrophobicContact CD1-CB 4.16Å; L392-F403 HydrophobicContact CD1-CD2 4.28Å; L392-F403 HydrophobicContact CD1-CG 4.48Å; A399-F403 PolarHBondContact O-N 3.03Å; K400-F403 WeakPolarHBondContact O-CB 3.42Å; K400-F403 PolarHBondContact O-N 3.34Å; F403-K405 PolarHBondContact O-N 3.5Å; F403-H406 PolarHBondContact O-N 3.34Å; F403-V407 VanDerWaalsContact O-CG2 3.31Å; F403-V407 WeakPolarHBondContact O-CG2 3.48Å; F403-V407 PolarHBondContact O-N 2.8Å
404	L	92.1	Very high	85.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-44.7	178.8	-65.9	99.9	0	0	0	111.8	K400 Q402 H406 V407 E408 Y416 C456 L498 A500	K400-L404 WeakPolarHBondContact O-CD1 3.37Å; K400-L404 PolarHBondContact O-N 2.96Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; Q402-L404 PolarHBondContact O-N 3.31Å; L404-H406 VanDerWaalsContact C-N 3.34Å; L404-H406 PolarHBondContact O-N 3.48Å; L404-V407 PolarHBondContact O-N 3.29Å; L404-E408 WeakPolarHBondContact O-CB 3.37Å; L404-E408 PolarHBondContact O-N 3.23Å; L404-Y416 HydrophobicContact CB-CD2 4.04Å; L404-Y416 HydrophobicContact CB-CE2 4.04Å; L404-Y416 HydrophobicContact CD2-CE2 4.48Å; L404-C456 HydrophobicContact CB-CB 4.1Å; L404-C456 HydrophobicContact CD2-CB 3.72Å; L404-C456 HydrophobicContact CG-CB 4.33Å; L404-L498 HydrophobicContact CD2-CG 4.48Å; L404-L498 HydrophobicContact CG-CD2 4.11Å; L404-L498 HydrophobicContact CG-CG 4.33Å; L404-A500 HydrophobicContact CD1-CB 3.69Å
405	K	90.6	Very high	85.9	Confident	78 Å²	78	49.3 Å²	49.3	34%	0.339	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-36.9	177.9	-72.4	171.5	-177.1	175.4	0	112.7	S401 Q402 F403 R409	S401-K405 VanDerWaalsContact O-CG 3.27Å; S401-K405 WeakPolarHBondContact O-CG 3.27Å; S401-K405 PolarHBondContact O-N 3Å; Q402-K405 PolarHBondContact O-N 3.45Å; F403-K405 PolarHBondContact O-N 3.5Å; K405-R409 VanDerWaalsContact O-CG 3.32Å; K405-R409 WeakPolarHBondContact O-CG 3.2Å; K405-R409 PolarHBondContact O-N 2.9Å
406	H	89.6	Confident	86	Confident	46 Å²	46	52.1 Å²	52.1	21%	0.213	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-43.1	175.3	-86.8	-77	0	0	0	111.3	F353 T355 Q402 F403 L404 R409 F410	F353-H406 HydrophobicContact CD1-CB 4.17Å; F353-H406 HydrophobicContact CE1-CB 3.82Å; T355-H406 PolarHBondContact OG1-CE1 3.46Å; T355-H406 PolarHBondContact OG1-NE2 3.08Å; Q402-H406 WeakPolarHBondContact O-CB 3.45Å; Q402-H406 PolarHBondContact O-CD2 2.94Å; Q402-H406 PolarHBondContact O-N 3.22Å; F403-H406 PolarHBondContact O-N 3.34Å; L404-H406 VanDerWaalsContact C-N 3.34Å; L404-H406 PolarHBondContact O-N 3.48Å; H406-R409 PolarHBondContact O-N 2.99Å; H406-F410 VanDerWaalsContact O-CB 3.31Å; H406-F410 WeakPolarHBondContact O-CB 3.43Å; H406-F410 PolarHBondContact O-N 3.25Å
407	V	90.7	Very high	86.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-41.6	177.4	172.3	0	0	0	0	111.6	I366 M369 L370 F403 L404 R409 F410 S411 V454 L498	I366-V407 HydrophobicContact CG2-CG2 3.57Å; M369-V407 HydrophobicContact CE-CG1 4.31Å; L370-V407 HydrophobicContact CD2-CG1 4.36Å; F403-V407 VanDerWaalsContact O-CG2 3.31Å; F403-V407 WeakPolarHBondContact O-CG2 3.48Å; F403-V407 PolarHBondContact O-N 2.8Å; L404-V407 PolarHBondContact O-N 3.29Å; V407-R409 PolarHBondContact O-N 2.99Å; V407-F410 PolarHBondContact O-N 3.45Å; V407-S411 PolarHBondContact O-N 3.28Å; V407-V454 HydrophobicContact CG1-CB 4.37Å; V407-V454 HydrophobicContact CG1-CG1 4.01Å; V407-V454 HydrophobicContact CG1-CG2 4.42Å; V407-L498 HydrophobicContact CB-CD2 4.27Å; V407-L498 HydrophobicContact CG1-CD2 4.42Å; V407-L498 HydrophobicContact CG2-CD2 3.99Å
408	E	87.8	Confident	86.4	Confident	67 Å²	67	44.6 Å²	44.6	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-43.7	175.9	-173.3	-164.1	179.9	0	0	112.1	L404 F410 Y416	L404-E408 WeakPolarHBondContact O-CB 3.37Å; L404-E408 PolarHBondContact O-N 3.23Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-Y416 VanDerWaalsContact OE2-CB 3.26Å; E408-Y416 WeakPolarHBondContact OE2-CB 3.45Å
409	R	85.3	Confident	86.2	Confident	186 Å²	186	43.3 Å²	43.3	70%	0.702	22%	0.216	S	C	*	.	H	α-helix	trans	-71.1	-31	177.7	-69.8	173.6	-177.3	-176.2	0.6	112.6	K405 H406 V407 R573	K405-R409 VanDerWaalsContact O-CG 3.32Å; K405-R409 WeakPolarHBondContact O-CG 3.2Å; K405-R409 PolarHBondContact O-N 2.9Å; H406-R409 PolarHBondContact O-N 2.99Å; V407-R409 PolarHBondContact O-N 2.99Å; R409-R573 PolarHBondContact O-NH2 3.5Å
410	F	85.4	Confident	86.1	Confident	21 Å²	21	49.1 Å²	49.1	9%	0.092	23%	0.233	C	C	.	.	H	α-helix	trans	-75.7	-49.4	-177.4	179.5	-98.6	0	0	0	111.6	L352 L370 H406 V407 E408 V569 I572 R573 I576	L352-F410 HydrophobicContact CD2-CD2 3.5Å; L352-F410 HydrophobicContact CD2-CE1 4.45Å; L352-F410 HydrophobicContact CD2-CE2 3.41Å; L352-F410 VanDerWaalsContact CD2-CE2 3.41Å; L352-F410 HydrophobicContact CD2-CG 4.1Å; L352-F410 HydrophobicContact CD2-CZ 3.95Å; L370-F410 HydrophobicContact CD1-CD1 3.78Å; L370-F410 HydrophobicContact CD1-CE1 3.89Å; L370-F410 HydrophobicContact CD2-CD1 4.45Å; H406-F410 VanDerWaalsContact O-CB 3.31Å; H406-F410 WeakPolarHBondContact O-CB 3.43Å; H406-F410 PolarHBondContact O-N 3.25Å; V407-F410 PolarHBondContact O-N 3.45Å; E408-F410 VanDerWaalsContact C-N 3.33Å; F410-V569 HydrophobicContact CD2-CG1 3.61Å; F410-V569 HydrophobicContact CE2-CG1 3.71Å; F410-I572 HydrophobicContact CE2-CB 4.17Å; F410-I572 HydrophobicContact CE2-CG2 3.99Å; F410-I572 HydrophobicContact CZ-CB 4.21Å; F410-I572 HydrophobicContact CZ-CG2 3.67Å; F410-R573 HydrophobicContact CD2-CG 4.3Å; F410-R573 HydrophobicContact CE1-CG 4.29Å; F410-R573 HydrophobicContact CE2-CG 3.58Å; F410-R573 HydrophobicContact CZ-CB 4.38Å; F410-R573 HydrophobicContact CZ-CG 3.54Å; F410-R573 PolarHBondContact O-NE 3.07Å; F410-R573 PolarHBondContact O-NH2 3.46Å; F410-I576 HydrophobicContact CE1-CD1 3.66Å; F410-I576 HydrophobicContact CZ-CD1 3.78Å
411	S	80.4	Confident	85.7	Confident	20 Å²	20	52.7 Å²	52.7	14%	0.14	27%	0.265	C	S	.	.			trans	-85.9	131.2	-173.4	-179.2	0	0	0	0	112.2	V407 R413	V407-S411 PolarHBondContact O-N 3.28Å; S411-R413 PolarHBondContact O-N 3.49Å
412	P	70.6	Confident	85	Confident	50 Å²	50	51.7 Å²	51.7	33%	0.325	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.7	-178.5	27.3	-34.5	0	0	0	114.1	N303 L307	N303-P412 HydrophobicContact CB-CB 4.04Å; N303-P412 PolarHBondContact ND2-O 2.88Å; L307-P412 HydrophobicContact CD1-CB 4.36Å; L307-P412 HydrophobicContact CD1-CG 3.98Å; L307-P412 HydrophobicContact CG-CG 4.35Å
413	R	77.4	Confident	84.5	Confident	71 Å²	71	50.5 Å²	50.5	27%	0.268	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	51.6	177.3	-70.1	-178.9	72.4	151.7	2.2	110.9	L307 S411 D451 G453 V454	L307-R413 HydrophobicContact CD1-CG 3.87Å; S411-R413 PolarHBondContact O-N 3.49Å; R413-D451 PolarHBondContact NE-O 2.92Å; R413-D451 PolarHBondContact NH2-O 3.1Å; R413-D451 VanDerWaalsContact NH2-O 3.13Å; R413-G453 WeakPolarHBondContact O-CA 3.48Å; R413-V454 PolarHBondContact O-N 3.45Å
414	A	85.1	Confident	83.6	Confident	17 Å²	17	51.9 Å²	51.9	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136	174	0	0	0	0	0	111.9	V454	A414-V454 WeakPolarHBondContact CA-O 3.47Å; A414-V454 HydrophobicContact CB-CB 4.22Å
415	V	86.6	Confident	82.8	Confident	39 Å²	39	54 Å²	54	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.9	178.1	179.3	0	0	0	0	108.2	A446 L449 A450 V454 C456	V415-A446 HydrophobicContact CG1-CB 4Å; V415-L449 HydrophobicContact CG2-CB 4.4Å; V415-A450 HydrophobicContact CB-CB 4.26Å; V415-A450 HydrophobicContact CG2-CB 3.93Å; V415-V454 PolarHBondContact N-O 3.48Å; V415-V454 VanDerWaalsContact N-O 3.13Å; V415-C456 PolarHBondContact O-N 3.27Å
416	Y	90.5	Very high	82.3	Confident	74 Å²	74	52 Å²	52	29%	0.29	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.6	170.3	176.4	-98.8	0	0	0	110.3	L404 E408 C456 D458	L404-Y416 HydrophobicContact CB-CD2 4.04Å; L404-Y416 HydrophobicContact CB-CE2 4.04Å; L404-Y416 HydrophobicContact CD2-CE2 4.48Å; E408-Y416 VanDerWaalsContact OE2-CB 3.26Å; E408-Y416 WeakPolarHBondContact OE2-CB 3.45Å; Y416-C456 HydrophobicContact CD2-CB 4.12Å; Y416-D458 HydrophobicContact CE2-CB 3.88Å; Y416-D458 WeakPolarHBondContact OH-CB 3.15Å; Y416-D458 PolarHBondContact OH-OD2 3.23Å
417	T	88.5	Confident	81.9	Confident	15 Å²	15	49.9 Å²	49.9	9%	0.092	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.4	177.4	-167	0	0	0	0	111.7	S422 L427 C456 I457 D458	T417-S422 PolarHBondContact OG1-OG 2.85Å; T417-L427 HydrophobicContact CG2-CD2 3.92Å; T417-C456 PolarHBondContact N-O 2.95Å; T417-I457 HydrophobicContact CG2-CB 4.31Å; T417-I457 HydrophobicContact CG2-CG1 3.81Å; T417-I457 HydrophobicContact CG2-CG2 4.33Å; T417-I457 WeakPolarHBondContact O-CA 3.35Å; T417-D458 PolarHBondContact O-N 3.08Å
418	S	88.2	Confident	81.5	Confident	28 Å²	28	50.4 Å²	50.4	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.8	171.5	167.5	0	0	0	0	109.1	K420 A421 S422	S418-K420 PolarHBondContact O-N 2.96Å; S418-K420 PolarHBondContact OG-N 2.91Å; S418-A421 PolarHBondContact O-N 2.79Å; S418-S422 WeakPolarHBondContact O-CB 3.47Å; S418-S422 PolarHBondContact O-N 2.9Å; S418-S422 VanDerWaalsContact O-N 3.12Å; S418-S422 PolarHBondContact O-OG 3.38Å
419	G	79.7	Confident	81.2	Confident	3 Å²	3	47.4 Å²	47.4	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.8	178.5	0	0	0	0	0	113.9	D458 M463	G419-D458 PolarHBondContact N-O 2.96Å; G419-M463 WeakPolarHBondContact O-CG 3.25Å
420	K	82.7	Confident	81.1	Confident	162 Å²	162	39.5 Å²	39.5	70%	0.704	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-33.3	177.6	-169.3	178.7	-178.7	-178.8	0	113.3	S418 S422	S418-K420 PolarHBondContact O-N 2.96Å; S418-K420 PolarHBondContact OG-N 2.91Å; K420-S422 VanDerWaalsContact C-N 3.3Å
421	A	79.1	Confident	81.1	Confident	87 Å²	87	40.1 Å²	40.1	72%	0.719	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.4	-179.5	0	0	0	0	0	112.5	S418	S418-A421 PolarHBondContact O-N 2.79Å
422	S	74.6	Confident	81.4	Confident	22 Å²	22	41.6 Å²	41.6	15%	0.154	26%	0.259	C	S	.	.			trans	-98.1	134.5	-177.7	-56.4	0	0	0	0	111.4	T417 S418 K420	T417-S422 PolarHBondContact OG1-OG 2.85Å; S418-S422 WeakPolarHBondContact O-CB 3.47Å; S418-S422 PolarHBondContact O-N 2.9Å; S418-S422 VanDerWaalsContact O-N 3.12Å; S418-S422 PolarHBondContact O-OG 3.38Å; K420-S422 VanDerWaalsContact C-N 3.3Å
423	S	76.9	Confident	82.1	Confident	69 Å²	69	46.1 Å²	46.1	48%	0.483	27%	0.27	S	S	.	.			trans	-93.2	165.1	165.4	59.1	0	0	0	0	110.4	A425 G426 L427 D467	S423-A425 PolarHBondContact O-N 3.19Å; S423-G426 WeakPolarHBondContact O-CA 3.24Å; S423-G426 PolarHBondContact O-N 3.06Å; S423-L427 PolarHBondContact O-N 2.91Å; S423-D467 VanDerWaalsContact C-OD2 3.31Å
424	A	73.9	Confident	82.3	Confident	33 Å²	33	44.3 Å²	44.3	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-43.6	-41.5	171.5	0	0	0	0	0	112.8	L427 T428 D467	A424-L427 PolarHBondContact O-N 3.03Å; A424-T428 PolarHBondContact O-N 3.49Å; A424-T428 PolarHBondContact O-OG1 3.48Å; A424-D467 VanDerWaalsContact CA-OD1 3.3Å; A424-D467 WeakPolarHBondContact CA-OD1 3.35Å; A424-D467 WeakPolarHBondContact CB-OD1 3.37Å; A424-D467 PolarHBondContact N-OD1 2.97Å; A424-D467 PolarHBondContact N-OD2 3.44Å
425	A	75.5	Confident	82	Confident	44 Å²	44	51.8 Å²	51.8	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-39.2	-179.1	0	0	0	0	0	112.2	S423 A430	S423-A425 PolarHBondContact O-N 3.19Å; A425-A430 HydrophobicContact CB-CB 3.95Å
426	G	79.2	Confident	81.5	Confident	36 Å²	36	55.3 Å²	55.3	37%	0.371	31%	0.311	S	S	.	.	H	α-helix	trans	-76.1	-24.2	177.1	0	0	0	0	0	113.8	S423 G445 A446	S423-G426 WeakPolarHBondContact O-CA 3.24Å; S423-G426 PolarHBondContact O-N 3.06Å; G426-G445 CarbonylContact O-C 3.53Å; G426-G445 VanDerWaalsContact O-CA 3.24Å; G426-G445 WeakPolarHBondContact O-CA 3.26Å; G426-A446 PolarHBondContact O-N 2.91Å
427	L	81.9	Confident	80.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-86.3	-45.1	178.4	-74.7	162.8	0	0	0	113.2	T417 S423 A424 A446 L447 M463 D467 I471	T417-L427 HydrophobicContact CG2-CD2 3.92Å; S423-L427 PolarHBondContact O-N 2.91Å; A424-L427 PolarHBondContact O-N 3.03Å; L427-A446 PolarHBondContact O-N 3.4Å; L427-L447 VanDerWaalsContact O-CB 3.27Å; L427-L447 WeakPolarHBondContact O-CB 3.44Å; L427-L447 WeakPolarHBondContact O-CG 3.11Å; L427-L447 PolarHBondContact O-N 3.04Å; L427-M463 HydrophobicContact CD1-CE 3.32Å; L427-D467 HydrophobicContact CD1-CB 4.21Å; L427-I471 HydrophobicContact CD1-CD1 4.21Å
428	T	81.3	Confident	80.3	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.08	34%	0.34	C	S	.	.	S	Bend	trans	-96.8	-89.8	-172.6	56.5	0	0	0	0	112.1	A424 G445 L447 A470 I480	A424-T428 PolarHBondContact O-N 3.49Å; A424-T428 PolarHBondContact O-OG1 3.48Å; T428-G445 WeakPolarHBondContact O-CA 3.32Å; T428-G445 PolarHBondContact O-N 2.93Å; T428-L447 HydrophobicContact CG2-CD1 4.44Å; T428-A470 HydrophobicContact CG2-CB 3.68Å; T428-I480 HydrophobicContact CG2-CD1 3.94Å; T428-I480 HydrophobicContact CG2-CG2 4.45Å
429	A	82.6	Confident	80.1	Confident	5 Å²	5	65.4 Å²	65.4	4%	0.041	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	152.1	166.7	0	0	0	0	0	109.5	I442 E443 M448 I482 L491	A429-I442 HydrophobicContact CB-CG2 3.82Å; A429-E443 CarbonylContact C-O 3.55Å; A429-E443 WeakPolarHBondContact CA-O 3.05Å; A429-E443 VanDerWaalsContact CB-O 3.27Å; A429-E443 WeakPolarHBondContact CB-O 3.29Å; A429-M448 HydrophobicContact CB-SD 3.58Å; A429-M448 VanDerWaalsContact CB-SD 3.58Å; A429-I482 HydrophobicContact CB-CD1 3.26Å; A429-L491 HydrophobicContact CB-CD1 3.84Å
430	A	83.4	Confident	80.3	Confident	20 Å²	20	70.1 Å²	70.1	17%	0.165	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149	177.1	0	0	0	0	0	110.1	A425 V432 I442 E443	A425-A430 HydrophobicContact CB-CB 3.95Å; A430-V432 HydrophobicContact CB-CG2 4.17Å; A430-I442 CarbonylContact O-C 3.59Å; A430-I442 WeakPolarHBondContact O-CA 3.29Å; A430-E443 HydrophobicContact CB-CB 4.47Å; A430-E443 PolarHBondContact N-O 2.88Å; A430-E443 PolarHBondContact O-N 2.85Å
431	V	85.6	Confident	80.3	Confident	33 Å²	33	65.2 Å²	65.2	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.9	167.3	-179	0	0	0	0	106.7	F440 V441 I482 K484 A485 V487	V431-F440 HydrophobicContact CG1-CB 3.75Å; V431-F440 HydrophobicContact CG1-CD1 4.13Å; V431-F440 HydrophobicContact CG1-CG 4.29Å; V431-V441 CarbonylContact C-O 3.56Å; V431-V441 WeakPolarHBondContact CA-O 3.43Å; V431-I482 HydrophobicContact CG2-CG2 3.91Å; V431-K484 HydrophobicContact CB-CB 4.4Å; V431-K484 HydrophobicContact CG2-CB 3.99Å; V431-A485 HydrophobicContact CG1-CB 4.16Å; V431-V487 HydrophobicContact CG1-CG2 4.36Å
432	V	86.1	Confident	80.6	Confident	51 Å²	51	63.8 Å²	63.8	31%	0.309	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.7	-178.6	-179.8	0	0	0	0	108.5	A430 F440 V441 E443	A430-V432 HydrophobicContact CB-CG2 4.17Å; V432-F440 CarbonylContact O-C 3.59Å; V432-V441 PolarHBondContact N-O 3.44Å; V432-V441 WeakPolarHBondContact O-CG2 3.46Å; V432-V441 PolarHBondContact O-N 3.37Å; V432-V441 VanDerWaalsContact O-O 3.11Å; V432-E443 HydrophobicContact CB-CG 4.17Å; V432-E443 HydrophobicContact CG2-CB 4.43Å; V432-E443 HydrophobicContact CG2-CG 3.93Å; V432-E443 WeakPolarHBondContact CG2-OE2 3.29Å
433	R	85.3	Confident	80.9	Confident	146 Å²	146	66 Å²	66	55%	0.551	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.4	172.3	-169.5	178.3	-175.6	-168.8	-1.9	108.2	F438 F440	R433-F438 PolarHBondContact NE-O 2.91Å; R433-F440 HydrophobicContact CB-CD1 3.99Å; R433-F440 HydrophobicContact CB-CE1 3.9Å; R433-F440 HydrophobicContact CG-CD1 4.39Å; R433-F440 HydrophobicContact CG-CE1 4.22Å
434	D	80.9	Confident	81.1	Confident	33 Å²	33	65 Å²	65	18%	0.176	35%	0.348	C	S	.	.			trans	-74.7	136.7	174.6	179.1	40.3	0	0	0	110.1	S437 F438 E439 V441	D434-S437 WeakPolarHBondContact CB-OG 3.36Å; D434-S437 WeakPolarHBondContact OD2-CB 3.43Å; D434-S437 PolarHBondContact OD2-N 3.11Å; D434-S437 PolarHBondContact OD2-OG 3.2Å; D434-F438 WeakPolarHBondContact O-CA 3.48Å; D434-F438 PolarHBondContact O-N 3.27Å; D434-E439 PolarHBondContact N-O 3.39Å; D434-V441 HydrophobicContact CB-CG1 4.22Å; D434-V441 HydrophobicContact CB-CG2 4.04Å
435	E	79.4	Confident	81.6	Confident	174 Å²	174	63.5 Å²	63.5	81%	0.813	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-27.1	-177.9	-66.6	-175	168.4	0	0	111.8
436	E	76.8	Confident	82.1	Confident	112 Å²	112	62 Å²	62	52%	0.523	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-46.1	-178.3	-63.5	-177.2	-169.1	0	0	111.2	H141 R203	H141-E436 IonicContact CE1-OE2 2.87Å; H141-E436 PolarHBondContact CE1-OE2 3.46Å; H141-E436 VanDerWaalsContact CE1-OE2 3.27Å; R203-E436 IonicContact NH2-OE1 3.92Å
437	S	74.4	Confident	82.4	Confident	55 Å²	55	60.3 Å²	60.3	39%	0.385	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-16.2	-179.3	58.9	0	0	0	0	114.6	D434 E439	D434-S437 WeakPolarHBondContact CB-OG 3.36Å; D434-S437 WeakPolarHBondContact OD2-CB 3.43Å; D434-S437 PolarHBondContact OD2-N 3.11Å; D434-S437 PolarHBondContact OD2-OG 3.2Å; S437-E439 PolarHBondContact O-N 2.88Å; S437-E439 VanDerWaalsContact O-N 3.13Å; S437-E439 PolarHBondContact OG-N 3.44Å
438	F	78.6	Confident	82.5	Confident	137 Å²	137	62 Å²	62	60%	0.601	31%	0.314	S	S	*	.			trans	60.3	4.3	-168.1	-65.2	-78	0	0	0	115.6	R433 D434	R433-F438 PolarHBondContact NE-O 2.91Å; D434-F438 WeakPolarHBondContact O-CA 3.48Å; D434-F438 PolarHBondContact O-N 3.27Å
439	E	84	Confident	82.5	Confident	138 Å²	138	64.7 Å²	64.7	65%	0.645	33%	0.328	S	S	*	.	S	Bend	trans	-87.7	157.2	179.1	-64.5	-166.6	164.9	0	0	112	D434 S437 V441	D434-E439 PolarHBondContact N-O 3.39Å; S437-E439 PolarHBondContact O-N 2.88Å; S437-E439 VanDerWaalsContact O-N 3.13Å; S437-E439 PolarHBondContact OG-N 3.44Å; E439-V441 PolarHBondContact O-N 3.35Å
440	F	83.9	Confident	82.6	Confident	101 Å²	101	64.5 Å²	64.5	44%	0.443	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	109.2	174.5	-70.3	-72.9	0	0	0	109.3	V431 V432 R433 A485 V487	V431-F440 HydrophobicContact CG1-CB 3.75Å; V431-F440 HydrophobicContact CG1-CD1 4.13Å; V431-F440 HydrophobicContact CG1-CG 4.29Å; V432-F440 CarbonylContact O-C 3.59Å; R433-F440 HydrophobicContact CB-CD1 3.99Å; R433-F440 HydrophobicContact CB-CE1 3.9Å; R433-F440 HydrophobicContact CG-CD1 4.39Å; R433-F440 HydrophobicContact CG-CE1 4.22Å; F440-A485 HydrophobicContact CB-CB 4.49Å; F440-A485 HydrophobicContact CD1-CB 3.86Å; F440-A485 HydrophobicContact CD2-CB 4.01Å; F440-A485 HydrophobicContact CE1-CB 4.01Å; F440-A485 HydrophobicContact CE2-CB 4.16Å; F440-A485 HydrophobicContact CG-CB 3.86Å; F440-A485 HydrophobicContact CZ-CB 4.16Å; F440-V487 HydrophobicContact CB-CG2 4.03Å
441	V	83.9	Confident	82.7	Confident	59 Å²	59	65.1 Å²	65.1	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	150	177.9	-63.7	0	0	0	0	110.5	V431 V432 D434 E439	V431-V441 CarbonylContact C-O 3.56Å; V431-V441 WeakPolarHBondContact CA-O 3.43Å; V432-V441 PolarHBondContact N-O 3.44Å; V432-V441 WeakPolarHBondContact O-CG2 3.46Å; V432-V441 PolarHBondContact O-N 3.37Å; V432-V441 VanDerWaalsContact O-O 3.11Å; D434-V441 HydrophobicContact CB-CG1 4.22Å; D434-V441 HydrophobicContact CB-CG2 4.04Å; E439-V441 PolarHBondContact O-N 3.35Å
442	I	83.5	Confident	82.5	Confident	58 Å²	58	66.4 Å²	66.4	30%	0.297	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.4	174.5	-54.1	176.7	0	0	0	108	A429 A430 V487 A489 L491	A429-I442 HydrophobicContact CB-CG2 3.82Å; A430-I442 CarbonylContact O-C 3.59Å; A430-I442 WeakPolarHBondContact O-CA 3.29Å; I442-V487 HydrophobicContact CD1-CG1 3.65Å; I442-V487 HydrophobicContact CG1-CG1 3.84Å; I442-A489 HydrophobicContact CD1-CB 3.52Å; I442-L491 HydrophobicContact CG2-CD1 3.92Å
443	E	81	Confident	82.5	Confident	69 Å²	69	64.3 Å²	64.3	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.9	166.8	-68.6	-167.4	154.7	0	0	109.2	R139 A429 A430 V432	R139-E443 IonicContact CZ-OE1 3.72Å; R139-E443 IonicContact NE-OE1 3.28Å; R139-E443 IonicContact NH2-OE1 2.62Å; R139-E443 PolarHBondContact NH2-OE1 3.47Å; A429-E443 CarbonylContact C-O 3.55Å; A429-E443 WeakPolarHBondContact CA-O 3.05Å; A429-E443 VanDerWaalsContact CB-O 3.27Å; A429-E443 WeakPolarHBondContact CB-O 3.29Å; A430-E443 HydrophobicContact CB-CB 4.47Å; A430-E443 PolarHBondContact N-O 2.88Å; A430-E443 PolarHBondContact O-N 2.85Å; V432-E443 HydrophobicContact CB-CG 4.17Å; V432-E443 HydrophobicContact CG2-CB 4.43Å; V432-E443 HydrophobicContact CG2-CG 3.93Å; V432-E443 WeakPolarHBondContact CG2-OE2 3.29Å
444	A	82.5	Confident	82.8	Confident	46 Å²	46	57.5 Å²	57.5	38%	0.38	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.9	178.9	0	0	0	0	0	111.4	M448 L449	A444-M448 HydrophobicContact CB-CB 3.94Å; A444-M448 HydrophobicContact CB-CE 3.99Å; A444-M448 HydrophobicContact CB-SD 4.21Å; A444-L449 HydrophobicContact CB-CD2 4.35Å
445	G	84.2	Confident	83.3	Confident	3 Å²	3	56 Å²	56	3%	0.031	29%	0.287	C	S	.	.			trans	-86.2	179.1	173.1	0	0	0	0	0	113.2	G426 T428 L447 M448 L449	G426-G445 CarbonylContact O-C 3.53Å; G426-G445 VanDerWaalsContact O-CA 3.24Å; G426-G445 WeakPolarHBondContact O-CA 3.26Å; T428-G445 WeakPolarHBondContact O-CA 3.32Å; T428-G445 PolarHBondContact O-N 2.93Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 2.98Å; G445-M448 PolarHBondContact O-N 3.18Å; G445-L449 WeakPolarHBondContact O-CG 3.39Å; G445-L449 PolarHBondContact O-N 3.27Å
446	A	85.3	Confident	84	Confident	11 Å²	11	47.7 Å²	47.7	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-37.6	-177	0	0	0	0	0	113.6	V415 G426 L427 A450	V415-A446 HydrophobicContact CG1-CB 4Å; G426-A446 PolarHBondContact O-N 2.91Å; L427-A446 PolarHBondContact O-N 3.4Å; A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3.33Å; A446-A450 VanDerWaalsContact O-N 3.14Å
447	L	86.1	Confident	84.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-37.1	177.4	-70.7	167.6	0	0	0	111.9	L427 T428 G445 A450 C455 I471 A474 T495 I497	L427-L447 VanDerWaalsContact O-CB 3.27Å; L427-L447 WeakPolarHBondContact O-CB 3.44Å; L427-L447 WeakPolarHBondContact O-CG 3.11Å; L427-L447 PolarHBondContact O-N 3.04Å; T428-L447 HydrophobicContact CG2-CD1 4.44Å; G445-L447 VanDerWaalsContact C-N 3.29Å; G445-L447 PolarHBondContact O-N 2.98Å; L447-A450 PolarHBondContact O-N 3.15Å; L447-C455 HydrophobicContact CD2-CB 3.82Å; L447-I471 HydrophobicContact CD1-CG1 4.21Å; L447-A474 HydrophobicContact CD1-CB 4.32Å; L447-T495 WeakPolarHBondContact O-CG2 3.39Å; L447-I497 HydrophobicContact CD2-CD1 4.31Å
448	M	84	Confident	85.6	Confident	37 Å²	37	40.4 Å²	40.4	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-74.1	-38.9	178.6	-70.6	-177.4	59.3	0	0	112.1	A429 A444 G445 A450 D451 L491	A429-M448 HydrophobicContact CB-SD 3.58Å; A429-M448 VanDerWaalsContact CB-SD 3.58Å; A444-M448 HydrophobicContact CB-CB 3.94Å; A444-M448 HydrophobicContact CB-CE 3.99Å; A444-M448 HydrophobicContact CB-SD 4.21Å; G445-M448 PolarHBondContact O-N 3.18Å; M448-A450 PolarHBondContact O-N 3.42Å; M448-D451 WeakPolarHBondContact O-CB 3.32Å; M448-D451 PolarHBondContact O-N 3.49Å; M448-L491 HydrophobicContact CE-CB 3.71Å; M448-L491 HydrophobicContact CE-CD1 3.6Å; M448-L491 HydrophobicContact CE-CD2 3.79Å; M448-L491 HydrophobicContact CE-CG 3.85Å; M448-L491 HydrophobicContact SD-CB 3.84Å; M448-L491 HydrophobicContact SD-CD1 3.4Å; M448-L491 WeakPolarHBondContact SD-CD1 3.22Å; M448-L491 HydrophobicContact SD-CG 4.1Å
449	L	82	Confident	86.1	Confident	70 Å²	70	37.4 Å²	37.4	37%	0.366	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-29.5	175.5	-66.4	172.9	0	0	0	111.9	V415 A444 G445 D451	V415-L449 HydrophobicContact CG2-CB 4.4Å; A444-L449 HydrophobicContact CB-CD2 4.35Å; G445-L449 WeakPolarHBondContact O-CG 3.39Å; G445-L449 PolarHBondContact O-N 3.27Å; L449-D451 VanDerWaalsContact C-N 3.31Å; L449-D451 PolarHBondContact O-N 3.46Å
450	A	84.2	Confident	86.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	14.7	178.8	0	0	0	0	0	114.3	V415 A446 L447 M448 N452 G453 C455 T495	V415-A450 HydrophobicContact CB-CB 4.26Å; V415-A450 HydrophobicContact CG2-CB 3.93Å; A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3.33Å; A446-A450 VanDerWaalsContact O-N 3.14Å; L447-A450 PolarHBondContact O-N 3.15Å; M448-A450 PolarHBondContact O-N 3.42Å; A450-N452 PolarHBondContact O-N 2.84Å; A450-G453 CarbonylContact O-C 3.57Å; A450-G453 VanDerWaalsContact O-CA 3.29Å; A450-G453 WeakPolarHBondContact O-CA 3.36Å; A450-G453 PolarHBondContact O-N 2.96Å; A450-C455 HydrophobicContact CB-CB 4.37Å; A450-T495 HydrophobicContact CB-CG2 4.02Å; A450-T495 WeakPolarHBondContact O-CG2 3.19Å
451	D	84.2	Confident	86.5	Confident	33 Å²	33	27.3 Å²	27.3	18%	0.176	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	138.9	-177.3	-165.4	36	0	0	0	112.6	R413 M448 L449 G453 R494	R413-D451 PolarHBondContact NE-O 2.92Å; R413-D451 PolarHBondContact NH2-O 3.1Å; R413-D451 VanDerWaalsContact NH2-O 3.13Å; M448-D451 WeakPolarHBondContact O-CB 3.32Å; M448-D451 PolarHBondContact O-N 3.49Å; L449-D451 VanDerWaalsContact C-N 3.31Å; L449-D451 PolarHBondContact O-N 3.46Å; D451-G453 PolarHBondContact O-N 2.98Å; D451-R494 WeakPolarHBondContact OD1-CA 3.32Å; D451-R494 VanDerWaalsContact OD1-CB 3.27Å; D451-R494 WeakPolarHBondContact OD1-CB 3.34Å; D451-R494 PolarHBondContact OD1-N 3.38Å
452	N	82.8	Confident	86.5	Confident	60 Å²	60	30.4 Å²	30.4	32%	0.321	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	12.1	-170.5	-65.4	-40.1	0	0	0	116.3	A450 R494 R580	A450-N452 PolarHBondContact O-N 2.84Å; N452-R494 WeakPolarHBondContact CA-O 3.42Å; N452-R494 PolarHBondContact N-O 2.98Å; N452-R580 PolarHBondContact O-NH1 3.27Å; N452-R580 VanDerWaalsContact O-NH1 3.16Å; N452-R580 PolarHBondContact O-NH2 3.45Å
453	G	86.6	Confident	86.6	Confident	7 Å²	7	28 Å²	28	7%	0.072	15%	0.149	C	C	.	.	S	Bend	trans	-120.9	-146	-178	0	0	0	0	0	113.6	R413 A450 D451 S496	R413-G453 WeakPolarHBondContact O-CA 3.48Å; A450-G453 CarbonylContact O-C 3.57Å; A450-G453 VanDerWaalsContact O-CA 3.29Å; A450-G453 WeakPolarHBondContact O-CA 3.36Å; A450-G453 PolarHBondContact O-N 2.96Å; D451-G453 PolarHBondContact O-N 2.98Å; G453-S496 PolarHBondContact O-N 3.27Å; G453-S496 VanDerWaalsContact O-N 3.08Å; G453-S496 PolarHBondContact O-OG 3Å
454	V	91	Very high	86.8	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.4	-175.9	-173.2	0	0	0	0	110	M369 L370 V407 R413 A414 V415 S496 L498	M369-V454 HydrophobicContact CE-CG1 3.64Å; M369-V454 HydrophobicContact CE-CG2 4.15Å; M369-V454 HydrophobicContact SD-CG1 4.37Å; L370-V454 HydrophobicContact CD2-CG2 3.86Å; V407-V454 HydrophobicContact CG1-CB 4.37Å; V407-V454 HydrophobicContact CG1-CG1 4.01Å; V407-V454 HydrophobicContact CG1-CG2 4.42Å; R413-V454 PolarHBondContact O-N 3.45Å; A414-V454 WeakPolarHBondContact CA-O 3.47Å; A414-V454 HydrophobicContact CB-CB 4.22Å; V415-V454 PolarHBondContact N-O 3.48Å; V415-V454 VanDerWaalsContact N-O 3.13Å; V454-S496 CarbonylContact C-O 3.49Å; V454-S496 WeakPolarHBondContact CA-O 3.15Å; V454-S496 WeakPolarHBondContact CG2-OG 3.27Å; V454-L498 HydrophobicContact CG1-CB 4.18Å
455	C	92	Very high	86.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.3	168.6	-173.3	0	0	0	0	109.4	L447 A450 S496 I497 L498	L447-C455 HydrophobicContact CD2-CB 3.82Å; A450-C455 HydrophobicContact CB-CB 4.37Å; C455-S496 PolarHBondContact N-O 2.74Å; C455-I497 WeakPolarHBondContact O-CA 3.42Å; C455-L498 PolarHBondContact O-N 3.37Å
456	C	93.6	Very high	86.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.1	178.9	-74.9	0	0	0	0	109.2	L404 V415 Y416 T417 L498	L404-C456 HydrophobicContact CB-CB 4.1Å; L404-C456 HydrophobicContact CD2-CB 3.72Å; L404-C456 HydrophobicContact CG-CB 4.33Å; V415-C456 PolarHBondContact O-N 3.27Å; Y416-C456 HydrophobicContact CD2-CB 4.12Å; T417-C456 PolarHBondContact N-O 2.95Å; C456-L498 CarbonylContact C-O 3.52Å; C456-L498 WeakPolarHBondContact CA-O 3.48Å
457	I	92	Very high	86.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.2	-179.7	-50.2	175.9	0	0	0	109.9	T417 F460 M463 I471 I497 L498 A499 A500	T417-I457 HydrophobicContact CG2-CB 4.31Å; T417-I457 HydrophobicContact CG2-CG1 3.81Å; T417-I457 HydrophobicContact CG2-CG2 4.33Å; T417-I457 WeakPolarHBondContact O-CA 3.35Å; I457-F460 HydrophobicContact CB-CD2 4.46Å; I457-F460 HydrophobicContact CD1-CD2 4.42Å; I457-F460 HydrophobicContact CD1-CE2 4.41Å; I457-F460 HydrophobicContact CG2-CD2 3.93Å; I457-M463 HydrophobicContact CG2-SD 4.07Å; I457-I471 HydrophobicContact CD1-CD1 4.04Å; I457-I497 HydrophobicContact CD1-CG2 4Å; I457-I497 HydrophobicContact CG1-CG2 4.45Å; I457-L498 PolarHBondContact N-O 3.47Å; I457-A499 CarbonylContact O-C 3.5Å; I457-A499 WeakPolarHBondContact O-CA 3.29Å; I457-A500 PolarHBondContact O-N 2.9Å
458	D	92	Very high	86.4	Confident	15 Å²	15	43 Å²	43	8%	0.08	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	153.2	172	-149.2	-13.3	0	0	0	111.3	S401 Y416 T417 G419 F460	S401-D458 WeakPolarHBondContact CB-OD2 3.38Å; S401-D458 PolarHBondContact OG-OD2 3.31Å; Y416-D458 HydrophobicContact CE2-CB 3.88Å; Y416-D458 WeakPolarHBondContact OH-CB 3.15Å; Y416-D458 PolarHBondContact OH-OD2 3.23Å; T417-D458 PolarHBondContact O-N 3.08Å; G419-D458 PolarHBondContact N-O 2.96Å; D458-F460 VanDerWaalsContact C-N 3.33Å; D458-F460 PolarHBondContact O-N 3.03Å
459	E	89.1	Confident	86.4	Confident	74 Å²	74	46 Å²	46	35%	0.346	23%	0.233	S	C	.	.	S	Bend	trans	51.2	47.2	-178.8	-56.7	-173.8	154.9	0	0	113.7	D461 K462 A500	E459-D461 PolarHBondContact O-N 2.78Å; E459-D461 VanDerWaalsContact O-N 3.14Å; E459-K462 HydrophobicContact CB-CB 4.36Å; E459-K462 HydrophobicContact CB-CG 4.2Å; E459-K462 PolarHBondContact O-N 3.03Å; E459-A500 PolarHBondContact N-O 2.8Å
460	F	88.7	Confident	86.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.3	-26.1	-176.6	-170.9	-115.9	0	0	0	113.2	I457 D458 K462 M463 I471 A499 A500 L520 I524 F528	I457-F460 HydrophobicContact CB-CD2 4.46Å; I457-F460 HydrophobicContact CD1-CD2 4.42Å; I457-F460 HydrophobicContact CD1-CE2 4.41Å; I457-F460 HydrophobicContact CG2-CD2 3.93Å; D458-F460 VanDerWaalsContact C-N 3.33Å; D458-F460 PolarHBondContact O-N 3.03Å; F460-K462 VanDerWaalsContact C-N 3.28Å; F460-K462 PolarHBondContact O-N 3.11Å; F460-M463 HydrophobicContact CD2-CG 4.5Å; F460-M463 HydrophobicContact CD2-SD 3.44Å; F460-M463 WeakPolarHBondContact CD2-SD 3.5Å; F460-M463 HydrophobicContact CE2-SD 3.68Å; F460-M463 HydrophobicContact CG-SD 4.48Å; F460-I471 HydrophobicContact CE2-CD1 4.05Å; F460-A499 HydrophobicContact CB-CB 4.23Å; F460-A499 HydrophobicContact CD1-CB 4.31Å; F460-A499 HydrophobicContact CG-CB 4.11Å; F460-A500 WeakPolarHBondContact CB-O 3.35Å; F460-A500 PolarHBondContact N-O 3.05Å; F460-L520 HydrophobicContact CD1-CD1 3.79Å; F460-L520 HydrophobicContact CD1-CD2 3.44Å; F460-L520 VanDerWaalsContact CD1-CD2 3.44Å; F460-L520 HydrophobicContact CD1-CG 4.25Å; F460-L520 HydrophobicContact CE1-CD1 3.9Å; F460-L520 HydrophobicContact CE1-CD2 3.44Å; F460-L520 VanDerWaalsContact CE1-CD2 3.44Å; F460-L520 HydrophobicContact CE1-CG 4.3Å; F460-L520 HydrophobicContact CG-CD2 4.47Å; F460-L520 HydrophobicContact CZ-CD2 4.49Å; F460-I524 HydrophobicContact CE1-CG2 3.79Å; F460-I524 HydrophobicContact CZ-CD1 4.49Å; F460-I524 HydrophobicContact CZ-CG2 3.98Å; F460-F528 HydrophobicContact CE1-CE2 4.06Å; F460-F528 HydrophobicContact CE1-CZ 4.27Å; F460-F528 HydrophobicContact CZ-CZ 4.49Å
461	D	86.9	Confident	86.6	Confident	26 Å²	26	43.8 Å²	43.8	14%	0.139	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-71.3	-17.9	175.9	66.5	-67.7	0	0	0	113.9	E459 N502	E459-D461 PolarHBondContact O-N 2.78Å; E459-D461 VanDerWaalsContact O-N 3.14Å; D461-N502 PolarHBondContact OD1-N 3.4Å
462	K	85.1	Confident	86.7	Confident	124 Å²	124	44.9 Å²	44.9	54%	0.539	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-92.7	3.1	-179	-59	-54.6	-175.8	-132.1	0	114.1	E459 F460	E459-K462 HydrophobicContact CB-CB 4.36Å; E459-K462 HydrophobicContact CB-CG 4.2Å; E459-K462 PolarHBondContact O-N 3.03Å; F460-K462 VanDerWaalsContact C-N 3.28Å; F460-K462 PolarHBondContact O-N 3.11Å
463	M	84.3	Confident	86.9	Confident	9 Å²	9	44.6 Å²	44.6	4%	0.044	23%	0.225	C	C	.	.	S	Bend	trans	-74.8	143.6	179.6	-68.9	-169.6	59.5	0	0	112.7	G419 L427 I457 F460 D467 Q468 I471	G419-M463 WeakPolarHBondContact O-CG 3.25Å; L427-M463 HydrophobicContact CD1-CE 3.32Å; I457-M463 HydrophobicContact CG2-SD 4.07Å; F460-M463 HydrophobicContact CD2-CG 4.5Å; F460-M463 HydrophobicContact CD2-SD 3.44Å; F460-M463 WeakPolarHBondContact CD2-SD 3.5Å; F460-M463 HydrophobicContact CE2-SD 3.68Å; F460-M463 HydrophobicContact CG-SD 4.48Å; M463-D467 HydrophobicContact CE-CB 3.56Å; M463-Q468 HydrophobicContact CB-CG 4.18Å; M463-Q468 PolarHBondContact O-NE2 3.26Å; M463-I471 HydrophobicContact CE-CD1 3.5Å; M463-I471 VanDerWaalsContact CE-CD1 3.5Å; M463-I471 HydrophobicContact SD-CD1 4.07Å
464	D	85.6	Confident	86.8	Confident	116 Å²	116	44.5 Å²	44.5	62%	0.62	22%	0.224	S	C	*	.			trans	-64.6	148.3	172.7	-77.1	-26.6	0	0	0	111.8	K466 D467 Q468	D464-K466 PolarHBondContact O-N 3.48Å; D464-K466 VanDerWaalsContact O-N 3.16Å; D464-D467 PolarHBondContact O-N 2.87Å; D464-D467 VanDerWaalsContact O-N 3.08Å; D464-Q468 PolarHBondContact O-N 3.47Å; D464-Q468 VanDerWaalsContact O-N 3.14Å
465	L	83.4	Confident	86.6	Confident	134 Å²	134	44.7 Å²	44.7	70%	0.702	22%	0.224	S	C	*	.	H	α-helix	trans	-59.3	-29.5	-179.9	-68.9	171.1	0	0	0	113.2	D467 V469	L465-D467 VanDerWaalsContact C-N 3.35Å; L465-V469 WeakPolarHBondContact O-CG2 3.5Å; L465-V469 PolarHBondContact O-N 2.85Å; L465-V469 VanDerWaalsContact O-N 3.16Å
466	K	81.5	Confident	86.2	Confident	174 Å²	174	48.3 Å²	48.3	76%	0.757	24%	0.241	S	C	*	.	H	α-helix	trans	-65.3	-40.8	177.3	-67.8	-179	-177.9	174.4	0	111.7	D464 V469 A470	D464-K466 PolarHBondContact O-N 3.48Å; D464-K466 VanDerWaalsContact O-N 3.16Å; K466-V469 PolarHBondContact O-N 2.72Å; K466-A470 PolarHBondContact O-N 3.08Å
467	D	83.4	Confident	85.7	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-74	-37	-177.1	-61.1	7.2	0	0	0	109.6	S423 A424 L427 M463 D464 L465 V469 A470 I471	S423-D467 VanDerWaalsContact C-OD2 3.31Å; A424-D467 VanDerWaalsContact CA-OD1 3.3Å; A424-D467 WeakPolarHBondContact CA-OD1 3.35Å; A424-D467 WeakPolarHBondContact CB-OD1 3.37Å; A424-D467 PolarHBondContact N-OD1 2.97Å; A424-D467 PolarHBondContact N-OD2 3.44Å; L427-D467 HydrophobicContact CD1-CB 4.21Å; M463-D467 HydrophobicContact CE-CB 3.56Å; D464-D467 PolarHBondContact O-N 2.87Å; D464-D467 VanDerWaalsContact O-N 3.08Å; L465-D467 VanDerWaalsContact C-N 3.35Å; D467-V469 VanDerWaalsContact C-N 3.34Å; D467-V469 PolarHBondContact O-N 2.88Å; D467-A470 PolarHBondContact O-N 3.44Å; D467-I471 WeakPolarHBondContact O-CG1 3.44Å; D467-I471 PolarHBondContact O-N 3.22Å
468	Q	82.6	Confident	85.5	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-39	172.6	-70.3	-173.5	13.9	0	0	113	M463 D464 I471 H472 I524	M463-Q468 HydrophobicContact CB-CG 4.18Å; M463-Q468 PolarHBondContact O-NE2 3.26Å; D464-Q468 PolarHBondContact O-N 3.47Å; D464-Q468 VanDerWaalsContact O-N 3.14Å; Q468-I471 PolarHBondContact O-N 3.28Å; Q468-H472 WeakPolarHBondContact O-CB 3.43Å; Q468-H472 PolarHBondContact O-N 3.09Å; Q468-I524 HydrophobicContact CB-CD1 3.85Å; Q468-I524 HydrophobicContact CG-CD1 4.27Å
469	V	83.8	Confident	85.2	Confident	101 Å²	101	55.9 Å²	55.9	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-65	-43.4	176.4	172.1	0	0	0	0	111	L465 K466 D467 I471 H472 E473	L465-V469 WeakPolarHBondContact O-CG2 3.5Å; L465-V469 PolarHBondContact O-N 2.85Å; L465-V469 VanDerWaalsContact O-N 3.16Å; K466-V469 PolarHBondContact O-N 2.72Å; D467-V469 VanDerWaalsContact C-N 3.34Å; D467-V469 PolarHBondContact O-N 2.88Å; V469-I471 VanDerWaalsContact C-N 3.35Å; V469-I471 PolarHBondContact O-N 3.26Å; V469-H472 WeakPolarHBondContact O-CB 3.28Å; V469-H472 PolarHBondContact O-N 3.07Å; V469-E473 PolarHBondContact O-N 3.05Å
470	A	83.4	Confident	85.1	Confident	22 Å²	22	52.7 Å²	52.7	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-38.9	179.5	0	0	0	0	0	111.9	T428 K466 D467 E473 A474	T428-A470 HydrophobicContact CG2-CB 3.68Å; K466-A470 PolarHBondContact O-N 3.08Å; D467-A470 PolarHBondContact O-N 3.44Å; A470-E473 PolarHBondContact O-N 3.15Å; A470-A474 PolarHBondContact O-N 2.56Å; A470-A474 VanDerWaalsContact O-N 3.16Å
471	I	86.6	Confident	85	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-39.1	172.6	-71.2	179.1	0	0	0	111.4	L427 L447 I457 F460 M463 D467 Q468 V469 E473 A474 M475 I497	L427-I471 HydrophobicContact CD1-CD1 4.21Å; L447-I471 HydrophobicContact CD1-CG1 4.21Å; I457-I471 HydrophobicContact CD1-CD1 4.04Å; F460-I471 HydrophobicContact CE2-CD1 4.05Å; M463-I471 HydrophobicContact CE-CD1 3.5Å; M463-I471 VanDerWaalsContact CE-CD1 3.5Å; M463-I471 HydrophobicContact SD-CD1 4.07Å; D467-I471 WeakPolarHBondContact O-CG1 3.44Å; D467-I471 PolarHBondContact O-N 3.22Å; Q468-I471 PolarHBondContact O-N 3.28Å; V469-I471 VanDerWaalsContact C-N 3.35Å; V469-I471 PolarHBondContact O-N 3.26Å; I471-E473 VanDerWaalsContact C-N 3.31Å; I471-E473 PolarHBondContact O-N 3.13Å; I471-A474 PolarHBondContact O-N 3.2Å; I471-M475 HydrophobicContact CG2-CG 3.87Å; I471-M475 HydrophobicContact CG2-SD 3.53Å; I471-M475 VanDerWaalsContact CG2-SD 3.53Å; I471-M475 WeakPolarHBondContact O-CB 3.36Å; I471-M475 VanDerWaalsContact O-CG 3.28Å; I471-M475 WeakPolarHBondContact O-CG 3.44Å; I471-M475 PolarHBondContact O-N 3.44Å; I471-I497 HydrophobicContact CG2-CD1 4.11Å
472	H	86.5	Confident	84.9	Confident	56 Å²	56	55.2 Å²	55.2	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-37.3	178.9	173.9	-100.2	0	0	0	112.5	Q468 V469 E476 P523 I524	Q468-H472 WeakPolarHBondContact O-CB 3.43Å; Q468-H472 PolarHBondContact O-N 3.09Å; V469-H472 WeakPolarHBondContact O-CB 3.28Å; V469-H472 PolarHBondContact O-N 3.07Å; H472-E476 WeakPolarHBondContact O-CB 3.2Å; H472-E476 PolarHBondContact O-N 3.02Å; H472-P523 WeakPolarHBondContact NE2-CB 3.45Å; H472-I524 HydrophobicContact CB-CG1 4.3Å
473	E	85.8	Confident	84.9	Confident	55 Å²	55	54.4 Å²	54.4	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-51.1	171.2	-174.2	-178.4	157.7	0	0	110.7	V469 A470 I471 M475 E476 Q477 S481	V469-E473 PolarHBondContact O-N 3.05Å; A470-E473 PolarHBondContact O-N 3.15Å; I471-E473 VanDerWaalsContact C-N 3.31Å; I471-E473 PolarHBondContact O-N 3.13Å; E473-M475 PolarHBondContact O-N 2.93Å; E473-E476 PolarHBondContact O-N 3.45Å; E473-Q477 PolarHBondContact O-N 3.49Å; E473-S481 WeakPolarHBondContact OE1-CB 3.5Å; E473-S481 PolarHBondContact OE1-N 3.3Å; E473-S481 PolarHBondContact OE1-OG 3.45Å
474	A	85.9	Confident	84.9	Confident	5 Å²	5	60.4 Å²	60.4	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-42.8	-179.8	0	0	0	0	0	113	L447 A470 I471 E476 Q478 I480	L447-A474 HydrophobicContact CD1-CB 4.32Å; A470-A474 PolarHBondContact O-N 2.56Å; A470-A474 VanDerWaalsContact O-N 3.16Å; I471-A474 PolarHBondContact O-N 3.2Å; A474-E476 VanDerWaalsContact C-N 3.29Å; A474-E476 PolarHBondContact O-N 3.05Å; A474-Q478 WeakPolarHBondContact O-CA 3.43Å; A474-Q478 PolarHBondContact O-N 2.86Å; A474-I480 HydrophobicContact CB-CD1 3.96Å; A474-I480 HydrophobicContact CB-CG1 3.77Å
475	M	86.9	Confident	84.8	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.034	31%	0.308	C	S	.	.	H	α-helix	trans	-69.2	-26.5	-179.4	-74.9	177.3	81.7	0	0	113.6	R385 N389 I471 E473 I497 R527 F528	R385-M475 PolarHBondContact NH1-O 3.03Å; N389-M475 HydrophobicContact CB-CE 4.2Å; N389-M475 WeakPolarHBondContact ND2-CE 3.4Å; I471-M475 HydrophobicContact CG2-CG 3.87Å; I471-M475 HydrophobicContact CG2-SD 3.53Å; I471-M475 VanDerWaalsContact CG2-SD 3.53Å; I471-M475 WeakPolarHBondContact O-CB 3.36Å; I471-M475 VanDerWaalsContact O-CG 3.28Å; I471-M475 WeakPolarHBondContact O-CG 3.44Å; I471-M475 PolarHBondContact O-N 3.44Å; E473-M475 PolarHBondContact O-N 2.93Å; M475-I497 HydrophobicContact CE-CD1 4.4Å; M475-I497 HydrophobicContact CG-CD1 3.41Å; M475-I497 VanDerWaalsContact CG-CD1 3.41Å; M475-I497 HydrophobicContact SD-CD1 3.88Å; M475-R527 HydrophobicContact CE-CB 3.89Å; M475-F528 HydrophobicContact CE-CD1 4.13Å; M475-F528 HydrophobicContact CE-CD2 4.14Å; M475-F528 HydrophobicContact CE-CE1 3.87Å; M475-F528 HydrophobicContact CE-CE2 3.91Å; M475-F528 HydrophobicContact CE-CG 4.25Å; M475-F528 HydrophobicContact CE-CZ 3.75Å
476	E	82.9	Confident	84.7	Confident	76 Å²	76	55.4 Å²	55.4	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-91.3	-52.6	-177	173	61	150.9	0	0	112.4	H472 E473 A474 R527	H472-E476 WeakPolarHBondContact O-CB 3.2Å; H472-E476 PolarHBondContact O-N 3.02Å; E473-E476 PolarHBondContact O-N 3.45Å; A474-E476 VanDerWaalsContact C-N 3.29Å; A474-E476 PolarHBondContact O-N 3.05Å; E476-R527 IonicContact OE1-CZ 3.6Å; E476-R527 IonicContact OE1-NH1 2.76Å; E476-R527 PolarHBondContact OE1-NH1 3.26Å; E476-R527 IonicContact OE1-NH2 2.63Å; E476-R527 PolarHBondContact OE1-NH2 3.31Å; E476-R527 IonicContact OE2-CZ 3.72Å; E476-R527 IonicContact OE2-NE 3.59Å; E476-R527 PolarHBondContact OE2-NE 3.42Å; E476-R527 IonicContact OE2-NH1 3.69Å; E476-R527 PolarHBondContact OE2-NH1 2.67Å; E476-R527 IonicContact OE2-NH2 3.88Å; E476-R527 PolarHBondContact OE2-NH2 3.43Å
477	Q	84.1	Confident	84.7	Confident	117 Å²	117	48.8 Å²	48.8	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-92.8	-8.4	-172.6	-62.3	-178.4	-15.2	0	0	112	E473 T479	E473-Q477 PolarHBondContact O-N 3.49Å; Q477-T479 WeakPolarHBondContact CB-OG1 3.15Å; Q477-T479 PolarHBondContact O-N 3.03Å; Q477-T479 PolarHBondContact O-OG1 3.26Å
478	Q	85.9	Confident	84.9	Confident	18 Å²	18	57 Å²	57	8%	0.084	33%	0.326	C	S	.	.	S	Bend	trans	51.4	24.5	-170.1	-56.3	-166.4	-67.3	0	0	112.8	R385 D387 A474 A493	R385-Q478 HydrophobicContact CB-CG 4.33Å; R385-Q478 HydrophobicContact CG-CG 4.32Å; D387-Q478 PolarHBondContact OD2-NE2 3.35Å; A474-Q478 WeakPolarHBondContact O-CA 3.43Å; A474-Q478 PolarHBondContact O-N 2.86Å; Q478-A493 PolarHBondContact O-N 2.88Å
479	T	87.5	Confident	85	Confident	40 Å²	40	57.7 Å²	57.7	25%	0.245	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.4	-180	55	0	0	0	0	108.9	Q477 L491	Q477-T479 WeakPolarHBondContact CB-OG1 3.15Å; Q477-T479 PolarHBondContact O-N 3.03Å; Q477-T479 PolarHBondContact O-OG1 3.26Å; T479-L491 CarbonylContact C-O 3.57Å; T479-L491 VanDerWaalsContact CA-O 3.22Å; T479-L491 WeakPolarHBondContact CA-O 3.4Å
480	I	86.5	Confident	85.1	Confident	7 Å²	7	58 Å²	58	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.2	179.2	-60.9	174.8	0	0	0	106.8	T428 A474 I482 L491 A493	T428-I480 HydrophobicContact CG2-CD1 3.94Å; T428-I480 HydrophobicContact CG2-CG2 4.45Å; A474-I480 HydrophobicContact CB-CD1 3.96Å; A474-I480 HydrophobicContact CB-CG1 3.77Å; I480-I482 HydrophobicContact CG2-CD1 4.46Å; I480-I482 HydrophobicContact CG2-CG1 4.14Å; I480-L491 PolarHBondContact N-O 3.05Å; I480-L491 PolarHBondContact O-N 2.83Å; I480-A493 HydrophobicContact CD1-CB 3.92Å; I480-A493 HydrophobicContact CG1-CB 4.12Å
481	S	85.9	Confident	85.3	Confident	65 Å²	65	58.4 Å²	58.4	46%	0.455	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.4	176.6	65.9	0	0	0	0	111.2	E473	E473-S481 WeakPolarHBondContact OE1-CB 3.5Å; E473-S481 PolarHBondContact OE1-N 3.3Å; E473-S481 PolarHBondContact OE1-OG 3.45Å
482	I	85	Confident	85.2	Confident	14 Å²	14	62 Å²	62	7%	0.072	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.5	177	-59.2	-178.3	0	0	0	109.2	A429 V431 I480 K484 K488 A489 L491	A429-I482 HydrophobicContact CB-CD1 3.26Å; V431-I482 HydrophobicContact CG2-CG2 3.91Å; I480-I482 HydrophobicContact CG2-CD1 4.46Å; I480-I482 HydrophobicContact CG2-CG1 4.14Å; I482-K484 HydrophobicContact CG2-CB 4.35Å; I482-K484 HydrophobicContact CG2-CG 4.36Å; I482-K488 WeakPolarHBondContact O-CA 3.37Å; I482-A489 PolarHBondContact N-O 3.3Å; I482-A489 PolarHBondContact O-N 3.27Å; I482-L491 HydrophobicContact CD1-CD1 3.88Å
483	T	85.8	Confident	85.1	Confident	106 Å²	106	59.5 Å²	59.5	65%	0.65	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	88	173.4	42.3	0	0	0	0	109.3	V487 K488	T483-V487 WeakPolarHBondContact CA-O 3.3Å; T483-K488 HydrophobicContact CG2-CB 4.2Å; T483-K488 HydrophobicContact CG2-CD 4.24Å; T483-K488 HydrophobicContact CG2-CG 3.8Å
484	K	84.8	Confident	85.2	Confident	135 Å²	135	61.6 Å²	61.6	59%	0.587	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	144	-179.6	-71.3	-174.8	-179.1	172.3	0	111.1	V431 I482 G486 V487	V431-K484 HydrophobicContact CB-CB 4.4Å; V431-K484 HydrophobicContact CG2-CB 3.99Å; I482-K484 HydrophobicContact CG2-CB 4.35Å; I482-K484 HydrophobicContact CG2-CG 4.36Å; K484-G486 PolarHBondContact O-N 3.29Å; K484-V487 PolarHBondContact N-O 3.31Å; K484-V487 VanDerWaalsContact N-O 3.09Å; K484-V487 WeakPolarHBondContact O-CB 3.42Å; K484-V487 PolarHBondContact O-N 3.36Å
485	A	82.9	Confident	85.3	Confident	60 Å²	60	61.8 Å²	61.8	50%	0.496	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	33.3	173.2	0	0	0	0	0	115.3	V431 F440 V487	V431-A485 HydrophobicContact CG1-CB 4.16Å; F440-A485 HydrophobicContact CB-CB 4.49Å; F440-A485 HydrophobicContact CD1-CB 3.86Å; F440-A485 HydrophobicContact CD2-CB 4.01Å; F440-A485 HydrophobicContact CE1-CB 4.01Å; F440-A485 HydrophobicContact CE2-CB 4.16Å; F440-A485 HydrophobicContact CG-CB 3.86Å; F440-A485 HydrophobicContact CZ-CB 4.16Å; A485-V487 VanDerWaalsContact C-N 3.27Å; A485-V487 PolarHBondContact O-N 3.15Å
486	G	80.3	Confident	85.5	Confident	86 Å²	86	61.8 Å²	61.8	89%	0.887	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-6.5	-177.8	0	0	0	0	0	114.8	K484	K484-G486 PolarHBondContact O-N 3.29Å
487	V	82.1	Confident	85.9	Confident	35 Å²	35	58.3 Å²	58.3	21%	0.212	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.9	174.3	-173.1	0	0	0	0	108.9	V431 F440 I442 T483 K484 A485 A489	V431-V487 HydrophobicContact CG1-CG2 4.36Å; F440-V487 HydrophobicContact CB-CG2 4.03Å; I442-V487 HydrophobicContact CD1-CG1 3.65Å; I442-V487 HydrophobicContact CG1-CG1 3.84Å; T483-V487 WeakPolarHBondContact CA-O 3.3Å; K484-V487 PolarHBondContact N-O 3.31Å; K484-V487 VanDerWaalsContact N-O 3.09Å; K484-V487 WeakPolarHBondContact O-CB 3.42Å; K484-V487 PolarHBondContact O-N 3.36Å; A485-V487 VanDerWaalsContact C-N 3.27Å; A485-V487 PolarHBondContact O-N 3.15Å; V487-A489 HydrophobicContact CG1-CB 4.41Å
488	K	87.4	Confident	86.4	Confident	181 Å²	181	52.8 Å²	52.8	79%	0.787	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	104	170.3	179.4	174.1	-178.1	-175.6	0	108.1	I482 T483	I482-K488 WeakPolarHBondContact O-CA 3.37Å; T483-K488 HydrophobicContact CG2-CB 4.2Å; T483-K488 HydrophobicContact CG2-CD 4.24Å; T483-K488 HydrophobicContact CG2-CG 3.8Å
489	A	84.6	Confident	86.7	Confident	24 Å²	24	51.9 Å²	51.9	20%	0.198	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.7	179.9	0	0	0	0	0	110.7	I442 I482 V487 L491	I442-A489 HydrophobicContact CD1-CB 3.52Å; I482-A489 PolarHBondContact N-O 3.3Å; I482-A489 PolarHBondContact O-N 3.27Å; V487-A489 HydrophobicContact CG1-CB 4.41Å; A489-L491 HydrophobicContact CB-CD2 4.42Å
490	T	86.7	Confident	87	Confident	107 Å²	107	50.1 Å²	50.1	66%	0.656	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.8	170.3	50.4	0	0	0	0	107.6
491	L	86.3	Confident	87.2	Confident	31 Å²	31	49.8 Å²	49.8	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.3	-172.2	-58.6	166.9	0	0	0	108.6	A429 I442 M448 T479 I480 I482 A489	A429-L491 HydrophobicContact CB-CD1 3.84Å; I442-L491 HydrophobicContact CG2-CD1 3.92Å; M448-L491 HydrophobicContact CE-CB 3.71Å; M448-L491 HydrophobicContact CE-CD1 3.6Å; M448-L491 HydrophobicContact CE-CD2 3.79Å; M448-L491 HydrophobicContact CE-CG 3.85Å; M448-L491 HydrophobicContact SD-CB 3.84Å; M448-L491 HydrophobicContact SD-CD1 3.4Å; M448-L491 WeakPolarHBondContact SD-CD1 3.22Å; M448-L491 HydrophobicContact SD-CG 4.1Å; T479-L491 CarbonylContact C-O 3.57Å; T479-L491 VanDerWaalsContact CA-O 3.22Å; T479-L491 WeakPolarHBondContact CA-O 3.4Å; I480-L491 PolarHBondContact N-O 3.05Å; I480-L491 PolarHBondContact O-N 2.83Å; I482-L491 HydrophobicContact CD1-CD1 3.88Å; A489-L491 HydrophobicContact CB-CD2 4.42Å
492	N	85.2	Confident	87.4	Confident	78 Å²	78	48.9 Å²	48.9	42%	0.417	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	178.1	-64.6	-21.5	0	0	0	109.9
493	A	85.1	Confident	87.6	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.017	28%	0.28	C	S	.	.			trans	-136.9	67.9	177.8	0	0	0	0	0	109.5	Q478 I480 T495	Q478-A493 PolarHBondContact O-N 2.88Å; I480-A493 HydrophobicContact CD1-CB 3.92Å; I480-A493 HydrophobicContact CG1-CB 4.12Å; A493-T495 PolarHBondContact O-N 2.8Å
494	R	86.5	Confident	87.7	Confident	99 Å²	99	48.4 Å²	48.4	37%	0.374	27%	0.274	S	S	.	.			trans	-83.6	62.8	-177.9	-56.3	173.8	-176.3	172.5	2.5	109.9	D451 N452	D451-R494 WeakPolarHBondContact OD1-CA 3.32Å; D451-R494 VanDerWaalsContact OD1-CB 3.27Å; D451-R494 WeakPolarHBondContact OD1-CB 3.34Å; D451-R494 PolarHBondContact OD1-N 3.38Å; N452-R494 WeakPolarHBondContact CA-O 3.42Å; N452-R494 PolarHBondContact N-O 2.98Å
495	T	88.8	Confident	87.6	Confident	10 Å²	10	45.8 Å²	45.8	6%	0.061	29%	0.286	C	S	.	.			trans	-113.3	139.4	-175.3	63.9	0	0	0	0	111.4	L447 A450 A493	L447-T495 WeakPolarHBondContact O-CG2 3.39Å; A450-T495 HydrophobicContact CB-CG2 4.02Å; A450-T495 WeakPolarHBondContact O-CG2 3.19Å; A493-T495 PolarHBondContact O-N 2.8Å
496	S	90.6	Very high	87.6	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.2	163.2	56.5	0	0	0	0	109.7	L388 G453 V454 C455	L388-S496 VanDerWaalsContact O-CB 3.32Å; L388-S496 WeakPolarHBondContact O-CB 3.37Å; G453-S496 PolarHBondContact O-N 3.27Å; G453-S496 VanDerWaalsContact O-N 3.08Å; G453-S496 PolarHBondContact O-OG 3Å; V454-S496 CarbonylContact C-O 3.49Å; V454-S496 WeakPolarHBondContact CA-O 3.15Å; V454-S496 WeakPolarHBondContact CG2-OG 3.27Å; C455-S496 PolarHBondContact N-O 2.74Å
497	I	92.8	Very high	87.9	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.8	179	-59.2	-176.7	0	0	0	109.6	N389 V390 L447 C455 I457 I471 M475 A499 F528	N389-I497 PolarHBondContact OD1-N 3.3Å; V390-I497 PolarHBondContact N-O 2.73Å; L447-I497 HydrophobicContact CD2-CD1 4.31Å; C455-I497 WeakPolarHBondContact O-CA 3.42Å; I457-I497 HydrophobicContact CD1-CG2 4Å; I457-I497 HydrophobicContact CG1-CG2 4.45Å; I471-I497 HydrophobicContact CG2-CD1 4.11Å; M475-I497 HydrophobicContact CE-CD1 4.4Å; M475-I497 HydrophobicContact CG-CD1 3.41Å; M475-I497 VanDerWaalsContact CG-CD1 3.41Å; M475-I497 HydrophobicContact SD-CD1 3.88Å; I497-A499 HydrophobicContact CG2-CB 4.36Å; I497-F528 HydrophobicContact CG2-CE1 4.23Å; I497-F528 HydrophobicContact CG2-CZ 4.44Å
498	L	94	Very high	88	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.1	166.1	-178.3	62.8	0	0	0	108.6	I366 M369 V390 L392 L404 V407 V454 C455 C456 I457	I366-L498 HydrophobicContact CG1-CD1 4.38Å; M369-L498 HydrophobicContact CE-CB 4.09Å; M369-L498 HydrophobicContact CE-CD2 4.28Å; M369-L498 HydrophobicContact SD-CB 3.94Å; M369-L498 HydrophobicContact SD-CD1 4.27Å; V390-L498 HydrophobicContact CB-CD1 3.96Å; V390-L498 HydrophobicContact CG1-CD1 4.01Å; V390-L498 WeakPolarHBondContact O-CA 3.44Å; L392-L498 HydrophobicContact CD1-CD1 4.41Å; L392-L498 HydrophobicContact CG-CD1 4.29Å; L404-L498 HydrophobicContact CD2-CG 4.48Å; L404-L498 HydrophobicContact CG-CD2 4.11Å; L404-L498 HydrophobicContact CG-CG 4.33Å; V407-L498 HydrophobicContact CB-CD2 4.27Å; V407-L498 HydrophobicContact CG1-CD2 4.42Å; V407-L498 HydrophobicContact CG2-CD2 3.99Å; V454-L498 HydrophobicContact CG1-CB 4.18Å; C455-L498 PolarHBondContact O-N 3.37Å; C456-L498 CarbonylContact C-O 3.52Å; C456-L498 WeakPolarHBondContact CA-O 3.48Å; I457-L498 PolarHBondContact N-O 3.47Å
499	A	92.7	Very high	87.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.2	-178.8	0	0	0	0	0	111.4	V390 C391 L392 I457 F460 I497 F528	V390-A499 PolarHBondContact O-N 3.33Å; C391-A499 CarbonylContact C-O 3.6Å; C391-A499 WeakPolarHBondContact CA-O 3.31Å; L392-A499 PolarHBondContact N-O 2.82Å; I457-A499 CarbonylContact O-C 3.5Å; I457-A499 WeakPolarHBondContact O-CA 3.29Å; F460-A499 HydrophobicContact CB-CB 4.23Å; F460-A499 HydrophobicContact CD1-CB 4.31Å; F460-A499 HydrophobicContact CG-CB 4.11Å; I497-A499 HydrophobicContact CG2-CB 4.36Å; A499-F528 HydrophobicContact CB-CE1 4.02Å; A499-F528 HydrophobicContact CB-CZ 3.81Å
500	A	92.9	Very high	87.4	Confident	2 Å²	2	47 Å²	47	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.7	165	0	0	0	0	0	110.5	L392 K400 L404 I457 E459 F460	L392-A500 CarbonylContact O-C 3.59Å; L392-A500 WeakPolarHBondContact O-CA 3.2Å; K400-A500 HydrophobicContact CB-CB 4.33Å; L404-A500 HydrophobicContact CD1-CB 3.69Å; I457-A500 PolarHBondContact O-N 2.9Å; E459-A500 PolarHBondContact N-O 2.8Å; F460-A500 WeakPolarHBondContact CB-O 3.35Å; F460-A500 PolarHBondContact N-O 3.05Å
501	A	91.2	Very high	86.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.9	178.7	0	0	0	0	0	111.1	L392 V393 G394 K400 I518	L392-A501 PolarHBondContact O-N 2.9Å; V393-A501 WeakPolarHBondContact CA-O 3.06Å; V393-A501 HydrophobicContact CG2-CB 4.47Å; G394-A501 PolarHBondContact N-O 3.25Å; K400-A501 PolarHBondContact NZ-O 2.87Å; A501-I518 HydrophobicContact CB-CG2 4.33Å
502	N	89.9	Confident	86.4	Confident	47 Å²	47	48.8 Å²	48.8	25%	0.251	26%	0.258	S	S	.	.			trans	-107.6	145.7	174.6	-62.9	-36.2	0	0	0	110.4	K400 D461	K400-N502 PolarHBondContact NZ-OD1 3.1Å; D461-N502 PolarHBondContact OD1-N 3.4Å
503	P	90.2	Very high	86	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.039	25%	0.25	C	C	.	.			trans	-68.7	151.4	176.6	29.2	-35.4	0	0	0	110.9	G394 G505 G506 Y508 N517	G394-P503 WeakPolarHBondContact O-CD 3.32Å; P503-G505 PolarHBondContact O-N 3.45Å; P503-G506 PolarHBondContact O-N 3.36Å; P503-G506 VanDerWaalsContact O-N 3.14Å; P503-Y508 HydrophobicContact CB-CD2 4.27Å; P503-N517 CarbonylContact C-O 3.52Å; P503-N517 WeakPolarHBondContact CA-O 3.27Å
504	I	86.4	Confident	85.6	Confident	103 Å²	103	47.3 Å²	47.3	53%	0.528	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	124.1	172.3	-63.1	163.8	0	0	0	108	H516 N517	I504-H516 WeakPolarHBondContact CD1-O 3.49Å; I504-N517 WeakPolarHBondContact CG1-O 3.32Å; I504-N517 PolarHBondContact N-O 2.71Å
505	G	83.6	Confident	85.3	Confident	81 Å²	81	50 Å²	50	84%	0.835	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-2.7	-176.4	0	0	0	0	0	114.8	P503 R507	P503-G505 PolarHBondContact O-N 3.45Å; G505-R507 PolarHBondContact O-N 3.03Å
506	G	83.4	Confident	84.9	Confident	31 Å²	31	55.5 Å²	55.5	32%	0.32	29%	0.287	S	S	.	.	S	Bend	trans	79.1	-9.1	174.7	0	0	0	0	0	115.2	P396 P503	P396-G506 WeakPolarHBondContact CD-O 3.39Å; P503-G506 PolarHBondContact O-N 3.36Å; P503-G506 VanDerWaalsContact O-N 3.14Å
507	R	85.4	Confident	84.6	Confident	192 Å²	192	55.4 Å²	55.4	73%	0.725	29%	0.286	S	S	*	.	S	Bend	trans	-124.2	145.9	169.2	-69.5	-170.7	-179.9	-128.1	1.1	110.7	D395 G505 D509	D395-R507 VanDerWaalsContact OD1-CA 3.25Å; D395-R507 WeakPolarHBondContact OD1-CA 3.42Å; G505-R507 PolarHBondContact O-N 3.03Å; R507-D509 PolarHBondContact O-N 2.86Å
508	Y	83.5	Confident	84.1	Confident	20 Å²	20	55.3 Å²	55.3	8%	0.078	29%	0.286	C	S	.	.			trans	-82.2	106.2	177.7	-168.7	-92.9	0	0	0	112.4	V393 D395 P503 R510 L514 N517 V533 I535	V393-Y508 HydrophobicContact CG1-CD2 4.39Å; V393-Y508 HydrophobicContact CG1-CE2 4.39Å; D395-Y508 PolarHBondContact OD1-N 2.83Å; P503-Y508 HydrophobicContact CB-CD2 4.27Å; Y508-R510 PolarHBondContact O-N 2.9Å; Y508-L514 HydrophobicContact CE2-CD1 4.2Å; Y508-L514 WeakPolarHBondContact OH-CD1 3.43Å; Y508-N517 HydrophobicContact CD2-CB 4.4Å; Y508-N517 HydrophobicContact CE2-CB 4.03Å; Y508-V533 HydrophobicContact CD1-CG1 4.04Å; Y508-V533 HydrophobicContact CD2-CG1 3.6Å; Y508-V533 HydrophobicContact CE1-CG1 4.05Å; Y508-V533 HydrophobicContact CE2-CG1 3.61Å; Y508-V533 HydrophobicContact CE2-CG2 4.22Å; Y508-V533 HydrophobicContact CG-CG1 3.83Å; Y508-I535 HydrophobicContact CD1-CD1 4.3Å; Y508-I535 HydrophobicContact CD1-CG1 4.37Å
509	D	81.5	Confident	83.5	Confident	62 Å²	62	57.4 Å²	57.4	33%	0.332	31%	0.307	S	S	.	.			trans	-77.6	110.7	176.7	-73.8	-15.7	0	0	0	111.7	R507 S511 K512 N517	R507-D509 PolarHBondContact O-N 2.86Å; D509-S511 PolarHBondContact O-N 2.8Å; D509-K512 HydrophobicContact CB-CB 4.48Å; D509-K512 HydrophobicContact CB-CD 4.17Å; D509-K512 HydrophobicContact CB-CG 4.48Å; D509-K512 PolarHBondContact O-N 2.85Å; D509-K512 IonicContact OD2-NZ 3.41Å; D509-K512 PolarHBondContact OD2-NZ 3.13Å; D509-N517 PolarHBondContact O-ND2 3.39Å
510	R	78.7	Confident	83	Confident	106 Å²	106	57.9 Å²	57.9	40%	0.4	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.2	179.2	-63.9	-175.2	-176.9	-173.4	0.5	114.6	Y508 E537 V659	Y508-R510 PolarHBondContact O-N 2.9Å; R510-E537 IonicContact CZ-OE1 3.34Å; R510-E537 IonicContact NH1-OE1 3.22Å; R510-E537 IonicContact NH2-OE1 3.37Å; R510-E537 PolarHBondContact NH2-OE1 2.82Å; R510-V659 WeakPolarHBondContact O-CG1 3.41Å
511	S	75.2	Confident	82.5	Confident	75 Å²	75	59.9 Å²	59.9	52%	0.524	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-24	-178.2	58.6	0	0	0	0	113.5	D509	D509-S511 PolarHBondContact O-N 2.8Å
512	K	76.7	Confident	81.9	Confident	101 Å²	101	62 Å²	62	44%	0.439	34%	0.341	S	S	.	.	S	Bend	trans	-95.9	151.6	-179.1	-70.2	171.5	-171.6	154	0	110.2	D509 H516 N517	D509-K512 HydrophobicContact CB-CB 4.48Å; D509-K512 HydrophobicContact CB-CD 4.17Å; D509-K512 HydrophobicContact CB-CG 4.48Å; D509-K512 PolarHBondContact O-N 2.85Å; D509-K512 IonicContact OD2-NZ 3.41Å; D509-K512 PolarHBondContact OD2-NZ 3.13Å; K512-H516 HydrophobicContact CB-CB 4.5Å; K512-N517 VanDerWaalsContact CB-OD1 3.23Å; K512-N517 WeakPolarHBondContact CB-OD1 3.43Å; K512-N517 PolarHBondContact O-ND2 3.24Å
513	S	77.3	Confident	81.7	Confident	35 Å²	35	62.5 Å²	62.5	25%	0.245	35%	0.347	C	S	.	.			trans	-70.5	151.8	173.9	62	0	0	0	0	111.3	R515 H516 N517	S513-R515 PolarHBondContact O-N 2.96Å; S513-H516 PolarHBondContact O-N 2.94Å; S513-H516 PolarHBondContact OG-ND1 2.67Å; S513-N517 PolarHBondContact O-N 2.9Å
514	L	77.2	Confident	81.5	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-49	-39.3	179.5	-170.9	89.2	0	0	0	112.2	Y508 H516 N517 I518 I525 F531 V533 A613	Y508-L514 HydrophobicContact CE2-CD1 4.2Å; Y508-L514 WeakPolarHBondContact OH-CD1 3.43Å; L514-H516 VanDerWaalsContact C-N 3.3Å; L514-H516 PolarHBondContact O-N 3.16Å; L514-N517 PolarHBondContact O-N 2.96Å; L514-I518 HydrophobicContact CD1-CD1 3.73Å; L514-I518 HydrophobicContact CD2-CD1 4.19Å; L514-I518 HydrophobicContact CG-CD1 3.62Å; L514-I518 HydrophobicContact CG-CG1 4.36Å; L514-I518 WeakPolarHBondContact O-CG1 3.25Å; L514-I518 PolarHBondContact O-N 3.09Å; L514-I525 HydrophobicContact CD2-CG2 4.48Å; L514-F531 HydrophobicContact CD2-CD1 4.29Å; L514-F531 HydrophobicContact CD2-CG 4.47Å; L514-V533 HydrophobicContact CD1-CG2 3.92Å; L514-A613 HydrophobicContact CB-CB 4.03Å
515	R	79	Confident	81.4	Confident	157 Å²	157	57.6 Å²	57.6	59%	0.592	32%	0.322	S	S	*	.	H	α-helix	trans	-62.3	-32.4	177.7	178	178.6	161.4	-179.3	-5.3	113.7	S513 I525	S513-R515 PolarHBondContact O-N 2.96Å; R515-I525 HydrophobicContact CB-CD1 4.48Å
516	H	81.7	Confident	81.3	Confident	125 Å²	125	54.3 Å²	54.3	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-87.9	-24.6	177	-65.3	92.3	0	0	0	111.9	I504 K512 S513 L514	I504-H516 WeakPolarHBondContact CD1-O 3.49Å; K512-H516 HydrophobicContact CB-CB 4.5Å; S513-H516 PolarHBondContact O-N 2.94Å; S513-H516 PolarHBondContact OG-ND1 2.67Å; L514-H516 VanDerWaalsContact C-N 3.3Å; L514-H516 PolarHBondContact O-N 3.16Å
517	N	83.2	Confident	81.5	Confident	4 Å²	4	54 Å²	54	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-75.3	-25.8	174.6	-75.4	-15.5	0	0	0	113	P503 I504 Y508 D509 K512 S513 L514	P503-N517 CarbonylContact C-O 3.52Å; P503-N517 WeakPolarHBondContact CA-O 3.27Å; I504-N517 WeakPolarHBondContact CG1-O 3.32Å; I504-N517 PolarHBondContact N-O 2.71Å; Y508-N517 HydrophobicContact CD2-CB 4.4Å; Y508-N517 HydrophobicContact CE2-CB 4.03Å; D509-N517 PolarHBondContact O-ND2 3.39Å; K512-N517 VanDerWaalsContact CB-OD1 3.23Å; K512-N517 WeakPolarHBondContact CB-OD1 3.43Å; K512-N517 PolarHBondContact O-ND2 3.24Å; S513-N517 PolarHBondContact O-N 2.9Å; L514-N517 PolarHBondContact O-N 2.96Å
518	I	82.4	Confident	81.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-120	130.4	-176.9	-43.9	172.6	0	0	0	109.5	V393 A501 L514 L520	V393-I518 HydrophobicContact CB-CD1 4.25Å; V393-I518 HydrophobicContact CG1-CD1 3.76Å; V393-I518 HydrophobicContact CG1-CG1 3.99Å; V393-I518 HydrophobicContact CG2-CD1 3.5Å; A501-I518 HydrophobicContact CB-CG2 4.33Å; L514-I518 HydrophobicContact CD1-CD1 3.73Å; L514-I518 HydrophobicContact CD2-CD1 4.19Å; L514-I518 HydrophobicContact CG-CD1 3.62Å; L514-I518 HydrophobicContact CG-CG1 4.36Å; L514-I518 WeakPolarHBondContact O-CG1 3.25Å; L514-I518 PolarHBondContact O-N 3.09Å; I518-L520 HydrophobicContact CG2-CB 4.24Å; I518-L520 HydrophobicContact CG2-CD1 3.69Å; I518-L520 HydrophobicContact CG2-CG 3.59Å; I518-L520 PolarHBondContact O-N 3.15Å
519	G	80.9	Confident	81.8	Confident	44 Å²	44	44.1 Å²	44.1	45%	0.454	24%	0.238	S	C	.	.			trans	-72	34.9	177.8	0	0	0	0	0	115.1
520	L	81.9	Confident	82.1	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.058	22%	0.222	C	C	.	.			trans	-102.7	150.5	-177.4	-65.8	177.4	0	0	0	112.5	F460 I518 I525	F460-L520 HydrophobicContact CD1-CD1 3.79Å; F460-L520 HydrophobicContact CD1-CD2 3.44Å; F460-L520 VanDerWaalsContact CD1-CD2 3.44Å; F460-L520 HydrophobicContact CD1-CG 4.25Å; F460-L520 HydrophobicContact CE1-CD1 3.9Å; F460-L520 HydrophobicContact CE1-CD2 3.44Å; F460-L520 VanDerWaalsContact CE1-CD2 3.44Å; F460-L520 HydrophobicContact CE1-CG 4.3Å; F460-L520 HydrophobicContact CG-CD2 4.47Å; F460-L520 HydrophobicContact CZ-CD2 4.49Å; I518-L520 HydrophobicContact CG2-CB 4.24Å; I518-L520 HydrophobicContact CG2-CD1 3.69Å; I518-L520 HydrophobicContact CG2-CG 3.59Å; I518-L520 PolarHBondContact O-N 3.15Å; L520-I525 HydrophobicContact CB-CD1 4.29Å; L520-I525 HydrophobicContact CB-CG1 4.08Å
521	S	82.5	Confident	82.6	Confident	43 Å²	43	36.9 Å²	36.9	30%	0.301	21%	0.206	S	C	.	.			trans	-72.2	143.4	175.6	73.1	0	0	0	0	111.7	P523 I524 I525	S521-P523 VanDerWaalsContact C-N 3.33Å; S521-I524 PolarHBondContact O-N 3.01Å; S521-I524 VanDerWaalsContact O-N 3.15Å; S521-I524 VanDerWaalsContact OG-CD1 3.3Å; S521-I524 WeakPolarHBondContact OG-CD1 3.42Å; S521-I524 WeakPolarHBondContact OG-CG1 3.41Å; S521-I525 PolarHBondContact O-N 2.9Å; S521-I525 VanDerWaalsContact O-N 3.17Å
522	A	80.4	Confident	83.3	Confident	44 Å²	44	33.8 Å²	33.8	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-56.6	-35.9	179.1	0	0	0	0	0	114.7	I524 I525 S526	A522-I524 VanDerWaalsContact C-N 3.35Å; A522-I524 PolarHBondContact O-N 2.9Å; A522-I525 PolarHBondContact O-N 2.83Å; A522-S526 PolarHBondContact O-N 3.01Å
523	P	83.7	Confident	83.8	Confident	59 Å²	59	30 Å²	30	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-59.9	-44.1	175	-24.7	35.3	0	0	0	112.4	H472 S521 S526 R527	H472-P523 WeakPolarHBondContact NE2-CB 3.45Å; S521-P523 VanDerWaalsContact C-N 3.33Å; P523-S526 PolarHBondContact O-N 2.85Å; P523-R527 WeakPolarHBondContact O-CG 3.21Å; P523-R527 PolarHBondContact O-N 3.37Å
524	I	85.9	Confident	84.2	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-45.3	-179.2	-67.9	173.4	0	0	0	110.8	F460 Q468 H472 S521 A522 S526 R527 F528	F460-I524 HydrophobicContact CE1-CG2 3.79Å; F460-I524 HydrophobicContact CZ-CD1 4.49Å; F460-I524 HydrophobicContact CZ-CG2 3.98Å; Q468-I524 HydrophobicContact CB-CD1 3.85Å; Q468-I524 HydrophobicContact CG-CD1 4.27Å; H472-I524 HydrophobicContact CB-CG1 4.3Å; S521-I524 PolarHBondContact O-N 3.01Å; S521-I524 VanDerWaalsContact O-N 3.15Å; S521-I524 VanDerWaalsContact OG-CD1 3.3Å; S521-I524 WeakPolarHBondContact OG-CD1 3.42Å; S521-I524 WeakPolarHBondContact OG-CG1 3.41Å; A522-I524 VanDerWaalsContact C-N 3.35Å; A522-I524 PolarHBondContact O-N 2.9Å; I524-S526 PolarHBondContact O-N 3.48Å; I524-R527 PolarHBondContact O-N 2.95Å; I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 3.5Å; I524-F528 VanDerWaalsContact CG2-CE2 3.5Å; I524-F528 WeakPolarHBondContact O-CD2 3.29Å
525	I	84.3	Confident	84.7	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-43.4	178.6	-65.8	170.5	0	0	0	110.1	L514 R515 L520 S521 A522 R527 F528 F531	L514-I525 HydrophobicContact CD2-CG2 4.48Å; R515-I525 HydrophobicContact CB-CD1 4.48Å; L520-I525 HydrophobicContact CB-CD1 4.29Å; L520-I525 HydrophobicContact CB-CG1 4.08Å; S521-I525 PolarHBondContact O-N 2.9Å; S521-I525 VanDerWaalsContact O-N 3.17Å; A522-I525 PolarHBondContact O-N 2.83Å; I525-R527 PolarHBondContact O-N 3.31Å; I525-F528 PolarHBondContact O-N 3.08Å; I525-F531 HydrophobicContact CB-CZ 4.26Å; I525-F531 HydrophobicContact CG2-CE2 4Å; I525-F531 HydrophobicContact CG2-CZ 3.82Å; I525-F531 WeakPolarHBondContact O-CE2 3.44Å; I525-F531 WeakPolarHBondContact O-CZ 3.39Å
526	S	83	Confident	85	Confident	12 Å²	12	28.4 Å²	28.4	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.6	-178.5	-176.8	0	0	0	0	115.3	A522 P523 I524 R619	A522-S526 PolarHBondContact O-N 3.01Å; P523-S526 PolarHBondContact O-N 2.85Å; I524-S526 PolarHBondContact O-N 3.48Å; S526-R619 VanDerWaalsContact CB-NH1 3.26Å; S526-R619 VanDerWaalsContact OG-CD 3.23Å; S526-R619 WeakPolarHBondContact OG-CD 3.44Å; S526-R619 PolarHBondContact OG-NH1 3.04Å
527	R	86.6	Confident	85.1	Confident	23 Å²	23	28 Å²	28	9%	0.087	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-15.4	179.9	-65.5	-63.2	179.2	-168.3	8.3	114.1	R385 M475 E476 P523 I524 I525 R619	R385-R527 PolarHBondContact NH1-O 3.43Å; R385-R527 VanDerWaalsContact NH1-O 3.1Å; M475-R527 HydrophobicContact CE-CB 3.89Å; E476-R527 IonicContact OE1-CZ 3.6Å; E476-R527 IonicContact OE1-NH1 2.76Å; E476-R527 PolarHBondContact OE1-NH1 3.26Å; E476-R527 IonicContact OE1-NH2 2.63Å; E476-R527 PolarHBondContact OE1-NH2 3.31Å; E476-R527 IonicContact OE2-CZ 3.72Å; E476-R527 IonicContact OE2-NE 3.59Å; E476-R527 PolarHBondContact OE2-NE 3.42Å; E476-R527 IonicContact OE2-NH1 3.69Å; E476-R527 PolarHBondContact OE2-NH1 2.67Å; E476-R527 IonicContact OE2-NH2 3.88Å; E476-R527 PolarHBondContact OE2-NH2 3.43Å; P523-R527 WeakPolarHBondContact O-CG 3.21Å; P523-R527 PolarHBondContact O-N 3.37Å; I524-R527 PolarHBondContact O-N 2.95Å; I525-R527 PolarHBondContact O-N 3.31Å; R527-R619 VanDerWaalsContact NH1-NE 3.18Å
528	F	88.1	Confident	85.2	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	20%	0.203	C	C	.	.			trans	-78.8	130.9	170.2	-75.7	-74.5	0	0	0	108.8	N389 C391 F460 M475 I497 A499 I524 I525 F531	N389-F528 HydrophobicContact CB-CD1 3.64Å; N389-F528 HydrophobicContact CB-CE1 4.09Å; N389-F528 HydrophobicContact CB-CG 4.48Å; C391-F528 HydrophobicContact CB-CB 4.46Å; C391-F528 HydrophobicContact CB-CD1 3.8Å; C391-F528 HydrophobicContact CB-CD2 4.28Å; C391-F528 HydrophobicContact CB-CE1 4.05Å; C391-F528 HydrophobicContact CB-CE2 4.48Å; C391-F528 HydrophobicContact CB-CG 3.94Å; C391-F528 HydrophobicContact CB-CZ 4.39Å; F460-F528 HydrophobicContact CE1-CE2 4.06Å; F460-F528 HydrophobicContact CE1-CZ 4.27Å; F460-F528 HydrophobicContact CZ-CZ 4.49Å; M475-F528 HydrophobicContact CE-CD1 4.13Å; M475-F528 HydrophobicContact CE-CD2 4.14Å; M475-F528 HydrophobicContact CE-CE1 3.87Å; M475-F528 HydrophobicContact CE-CE2 3.91Å; M475-F528 HydrophobicContact CE-CG 4.25Å; M475-F528 HydrophobicContact CE-CZ 3.75Å; I497-F528 HydrophobicContact CG2-CE1 4.23Å; I497-F528 HydrophobicContact CG2-CZ 4.44Å; A499-F528 HydrophobicContact CB-CE1 4.02Å; A499-F528 HydrophobicContact CB-CZ 3.81Å; I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 3.5Å; I524-F528 VanDerWaalsContact CG2-CE2 3.5Å; I524-F528 WeakPolarHBondContact O-CD2 3.29Å; I525-F528 PolarHBondContact O-N 3.08Å; F528-F531 HydrophobicContact CB-CD2 4.24Å; F528-F531 HydrophobicContact CB-CE1 4.27Å; F528-F531 HydrophobicContact CB-CE2 3.41Å; F528-F531 VanDerWaalsContact CB-CE2 3.41Å; F528-F531 HydrophobicContact CB-CZ 3.41Å; F528-F531 VanDerWaalsContact CB-CZ 3.41Å; F528-F531 HydrophobicContact CD2-CE1 4.34Å; F528-F531 AromaticContact CD2-CZ 3.8Å; F528-F531 HydrophobicContact CD2-CZ 3.8Å; F528-F531 HydrophobicContact CG-CE1 4.48Å; F528-F531 HydrophobicContact CG-CE2 4.39Å; F528-F531 AromaticContact CG-CZ 3.91Å; F528-F531 HydrophobicContact CG-CZ 3.91Å
529	D	87.4	Confident	85.4	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-82.7	-33.5	-177.6	-57.8	-72	0	0	0	110.7	R385 L388 N389 S623 R626	R385-D529 IonicContact CZ-OD2 2.99Å; R385-D529 IonicContact NH2-OD2 2.94Å; R385-D529 PolarHBondContact NH2-OD2 3.3Å; L388-D529 WeakPolarHBondContact CA-OD2 3.36Å; L388-D529 HydrophobicContact CD2-CB 3.96Å; N389-D529 PolarHBondContact N-OD2 2.86Å; N389-D529 PolarHBondContact O-N 2.81Å; D529-S623 VanDerWaalsContact OD1-CB 3.3Å; D529-S623 WeakPolarHBondContact OD1-CB 3.38Å; D529-S623 PolarHBondContact OD1-OG 3.28Å; D529-R626 IonicContact OD1-NH1 2.65Å; D529-R626 PolarHBondContact OD1-NH1 3.26Å
530	L	88.7	Confident	85.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.8	179	-67.3	174.1	0	0	0	111.4	N389 V390 C391 F532 L627 L652	N389-L530 PolarHBondContact O-N 3.46Å; V390-L530 HydrophobicContact CG1-CB 4.45Å; V390-L530 HydrophobicContact CG2-CB 4.33Å; V390-L530 HydrophobicContact CG2-CD1 4.32Å; C391-L530 PolarHBondContact N-O 3.39Å; L530-F532 HydrophobicContact CB-CE2 3.98Å; L530-F532 HydrophobicContact CB-CZ 4.22Å; L530-F532 HydrophobicContact CD1-CE2 4.08Å; L530-F532 HydrophobicContact CD1-CZ 3.96Å; L530-F532 HydrophobicContact CG-CZ 4.48Å; L530-L627 HydrophobicContact CD1-CD2 3.87Å; L530-L627 HydrophobicContact CD2-CD1 3.92Å; L530-L627 HydrophobicContact CG-CD1 4.31Å; L530-L627 HydrophobicContact CG-CD2 4.32Å; L530-L652 HydrophobicContact CD2-CD1 4.29Å
531	F	88.3	Confident	86.2	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.066	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.9	168.4	-78.5	-85.8	0	0	0	110.3	C391 V393 L514 I525 F528 S655	C391-F531 HydrophobicContact CB-CD1 3.73Å; C391-F531 HydrophobicContact CB-CE1 3.59Å; C391-F531 HydrophobicContact CB-CZ 4.33Å; V393-F531 HydrophobicContact CG2-CD1 4.42Å; L514-F531 HydrophobicContact CD2-CD1 4.29Å; L514-F531 HydrophobicContact CD2-CG 4.47Å; I525-F531 HydrophobicContact CB-CZ 4.26Å; I525-F531 HydrophobicContact CG2-CE2 4Å; I525-F531 HydrophobicContact CG2-CZ 3.82Å; I525-F531 WeakPolarHBondContact O-CE2 3.44Å; I525-F531 WeakPolarHBondContact O-CZ 3.39Å; F528-F531 HydrophobicContact CB-CD2 4.24Å; F528-F531 HydrophobicContact CB-CE1 4.27Å; F528-F531 HydrophobicContact CB-CE2 3.41Å; F528-F531 VanDerWaalsContact CB-CE2 3.41Å; F528-F531 HydrophobicContact CB-CZ 3.41Å; F528-F531 VanDerWaalsContact CB-CZ 3.41Å; F528-F531 HydrophobicContact CD2-CE1 4.34Å; F528-F531 AromaticContact CD2-CZ 3.8Å; F528-F531 HydrophobicContact CD2-CZ 3.8Å; F528-F531 HydrophobicContact CG-CE1 4.48Å; F528-F531 HydrophobicContact CG-CE2 4.39Å; F528-F531 AromaticContact CG-CZ 3.91Å; F528-F531 HydrophobicContact CG-CZ 3.91Å; F531-S655 VanDerWaalsContact O-CA 3.3Å; F531-S655 WeakPolarHBondContact O-CA 3.48Å; F531-S655 WeakPolarHBondContact O-CB 3.44Å
532	F	89.1	Confident	86.3	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	172.1	-62.5	-64.7	0	0	0	109.2	E361 V362 V390 C391 L392 V393 L530	E361-F532 HydrophobicContact CB-CE1 4.27Å; E361-F532 WeakPolarHBondContact O-CZ 3.49Å; V362-F532 HydrophobicContact CB-CD2 4.4Å; V362-F532 HydrophobicContact CB-CG 4.4Å; V362-F532 HydrophobicContact CG1-CD2 4.22Å; V362-F532 HydrophobicContact CG2-CB 3.65Å; V362-F532 HydrophobicContact CG2-CD1 4.04Å; V362-F532 HydrophobicContact CG2-CD2 4.16Å; V362-F532 HydrophobicContact CG2-CG 3.7Å; V390-F532 HydrophobicContact CG1-CD2 3.77Å; V390-F532 HydrophobicContact CG1-CE2 3.81Å; C391-F532 PolarHBondContact O-N 2.97Å; L392-F532 HydrophobicContact CD2-CB 3.95Å; L392-F532 HydrophobicContact CD2-CD2 3.93Å; L392-F532 HydrophobicContact CD2-CG 4.42Å; V393-F532 PolarHBondContact N-O 3.21Å; L530-F532 HydrophobicContact CB-CE2 3.98Å; L530-F532 HydrophobicContact CB-CZ 4.22Å; L530-F532 HydrophobicContact CD1-CE2 4.08Å; L530-F532 HydrophobicContact CD1-CZ 3.96Å; L530-F532 HydrophobicContact CG-CZ 4.48Å
533	V	87.3	Confident	86.7	Confident	22 Å²	22	48.5 Å²	48.5	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	169.5	-166	0	0	0	0	108.6	V393 Y508 L514 I535 I657	V393-V533 HydrophobicContact CB-CG1 4.41Å; V393-V533 HydrophobicContact CB-CG2 4.31Å; V393-V533 HydrophobicContact CG1-CG1 4.4Å; V393-V533 CarbonylContact O-C 3.59Å; V393-V533 VanDerWaalsContact O-CA 3.27Å; V393-V533 WeakPolarHBondContact O-CA 3.42Å; Y508-V533 HydrophobicContact CD1-CG1 4.04Å; Y508-V533 HydrophobicContact CD2-CG1 3.6Å; Y508-V533 HydrophobicContact CE1-CG1 4.05Å; Y508-V533 HydrophobicContact CE2-CG1 3.61Å; Y508-V533 HydrophobicContact CE2-CG2 4.22Å; Y508-V533 HydrophobicContact CG-CG1 3.83Å; L514-V533 HydrophobicContact CD1-CG2 3.92Å; V533-I535 HydrophobicContact CG1-CG1 4.11Å; V533-I657 HydrophobicContact CB-CD1 3.32Å; V533-I657 HydrophobicContact CG1-CD1 4.31Å; V533-I657 HydrophobicContact CG2-CD1 3.45Å; V533-I657 VanDerWaalsContact CG2-CD1 3.45Å; V533-I657 HydrophobicContact CG2-CG1 4.36Å
534	L	87.4	Confident	87	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.5	173	-63.8	172.3	0	0	0	107.5	A359 V362 V393 G394 D395 T398 K400	A359-L534 HydrophobicContact CB-CD2 3.83Å; V362-L534 HydrophobicContact CG2-CD2 3.94Å; V393-L534 PolarHBondContact O-N 2.58Å; G394-L534 CarbonylContact C-O 3.6Å; G394-L534 WeakPolarHBondContact CA-O 3.27Å; D395-L534 PolarHBondContact N-O 2.8Å; T398-L534 HydrophobicContact CG2-CB 4.5Å; K400-L534 HydrophobicContact CG-CD1 3.93Å
535	I	85.9	Confident	87	Confident	55 Å²	55	55 Å²	55	28%	0.282	29%	0.289	S	S	.	.			trans	-100.9	131.9	178.6	-52.8	174.2	0	0	0	107.2	Y508 V533 E537	Y508-I535 HydrophobicContact CD1-CD1 4.3Å; Y508-I535 HydrophobicContact CD1-CG1 4.37Å; V533-I535 HydrophobicContact CG1-CG1 4.11Å; I535-E537 HydrophobicContact CG2-CG 4.3Å; I535-E537 PolarHBondContact O-N 2.79Å
536	D	86.1	Confident	87.1	Confident	90 Å²	90	58 Å²	58	48%	0.481	30%	0.304	S	S	.	.			trans	-84.7	94.7	173.9	-169	23.2	0	0	0	109.4	D395 T398	D395-D536 HydrophobicContact CB-CB 3.91Å; D395-D536 PolarHBondContact OD2-N 2.85Å; T398-D536 HydrophobicContact CG2-CB 4.09Å
537	E	85	Confident	87.3	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	32%	0.32	S	S	*	.			trans	-93.8	121.9	170.5	-67.4	-175.6	168.6	0	0	108.9	R510 I535 N539	R510-E537 IonicContact CZ-OE1 3.34Å; R510-E537 IonicContact NH1-OE1 3.22Å; R510-E537 IonicContact NH2-OE1 3.37Å; R510-E537 PolarHBondContact NH2-OE1 2.82Å; I535-E537 HydrophobicContact CG2-CG 4.3Å; I535-E537 PolarHBondContact O-N 2.79Å; E537-N539 PolarHBondContact O-N 2.83Å
538	C	83.3	Confident	87.4	Confident	115 Å²	115	65.7 Å²	65.7	78%	0.777	34%	0.342	S	S	*	.			trans	-62.9	104.9	175.5	-53.9	0	0	0	0	109.3
539	N	86.7	Confident	86.9	Confident	65 Å²	65	67.2 Å²	67.2	35%	0.348	35%	0.353	S	S	.	.			trans	-134.7	110	-179.9	-176.6	-16.6	0	0	0	109.4	E537 I541 V542 D543	E537-N539 PolarHBondContact O-N 2.83Å; N539-I541 PolarHBondContact O-N 2.98Å; N539-I541 PolarHBondContact OD1-N 3.38Å; N539-I541 VanDerWaalsContact OD1-N 3.12Å; N539-V542 HydrophobicContact CB-CB 4.26Å; N539-V542 HydrophobicContact CB-CG2 4.16Å; N539-V542 PolarHBondContact O-N 3.34Å; N539-D543 PolarHBondContact O-N 3.17Å
540	D	89.1	Confident	86.8	Confident	136 Å²	136	71.2 Å²	71.2	73%	0.727	37%	0.373	S	S	*	.	H	α-helix	trans	-52.2	-35.3	-176.7	-60.4	-16	0	0	0	113.2	Y544	D540-Y544 WeakPolarHBondContact O-CB 3.49Å; D540-Y544 PolarHBondContact O-N 3.22Å
541	I	90.5	Very high	86.7	Confident	135 Å²	135	74.9 Å²	74.9	69%	0.692	40%	0.396	S	S	*	.	H	α-helix	trans	-69.9	-44.1	-178.7	-57.7	173.6	0	0	0	110.7	N539 A545	N539-I541 PolarHBondContact O-N 2.98Å; N539-I541 PolarHBondContact OD1-N 3.38Å; N539-I541 VanDerWaalsContact OD1-N 3.12Å; I541-A545 PolarHBondContact O-N 3.44Å; I541-A545 VanDerWaalsContact O-N 3.13Å
542	V	86.1	Confident	86.6	Confident	55 Å²	55	76.6 Å²	76.6	33%	0.333	41%	0.406	S	S	.	.	H	α-helix	trans	-70	-42.6	-179.9	178.1	0	0	0	0	109.6	N539 Y544 A545 I546	N539-V542 HydrophobicContact CB-CB 4.26Å; N539-V542 HydrophobicContact CB-CG2 4.16Å; N539-V542 PolarHBondContact O-N 3.34Å; V542-Y544 VanDerWaalsContact C-N 3.35Å; V542-Y544 PolarHBondContact O-N 3.49Å; V542-A545 WeakPolarHBondContact O-CB 3.44Å; V542-A545 PolarHBondContact O-N 3.48Å; V542-I546 HydrophobicContact CG1-CD1 3.77Å; V542-I546 HydrophobicContact CG1-CG1 4.38Å; V542-I546 VanDerWaalsContact O-CG1 3.29Å; V542-I546 WeakPolarHBondContact O-CG1 3.27Å; V542-I546 PolarHBondContact O-N 2.9Å
543	D	87.4	Confident	86.1	Confident	71 Å²	71	80 Å²	80	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-40.2	178.4	-68	-17.6	0	0	0	111.6	N539 A545 I546 A547	N539-D543 PolarHBondContact O-N 3.17Å; D543-A545 PolarHBondContact O-N 3.36Å; D543-I546 PolarHBondContact O-N 2.82Å; D543-A547 VanDerWaalsContact O-CB 3.24Å; D543-A547 WeakPolarHBondContact O-CB 3.38Å; D543-A547 PolarHBondContact O-N 3.3Å
544	Y	90.6	Very high	86	Confident	166 Å²	166	86.2 Å²	86.2	65%	0.651	45%	0.451	S	S	*	.	H	α-helix	trans	-62.1	-42.8	173.2	-176.2	-97.1	0	0	0	112.2	D540 V542 A547 R548	D540-Y544 WeakPolarHBondContact O-CB 3.49Å; D540-Y544 PolarHBondContact O-N 3.22Å; V542-Y544 VanDerWaalsContact C-N 3.35Å; V542-Y544 PolarHBondContact O-N 3.49Å; Y544-A547 PolarHBondContact O-N 3.2Å; Y544-R548 WeakPolarHBondContact O-CB 3.41Å; Y544-R548 PolarHBondContact O-N 2.95Å
545	A	86.7	Confident	85.7	Confident	30 Å²	30	90.5 Å²	90.5	25%	0.248	47%	0.472	C	S	.	.	H	α-helix	trans	-65	-41.7	177.4	0	0	0	0	0	112.1	I541 V542 D543 R548 S549	I541-A545 PolarHBondContact O-N 3.44Å; I541-A545 VanDerWaalsContact O-N 3.13Å; V542-A545 WeakPolarHBondContact O-CB 3.44Å; V542-A545 PolarHBondContact O-N 3.48Å; D543-A545 PolarHBondContact O-N 3.36Å; A545-R548 PolarHBondContact O-N 3.3Å; A545-S549 PolarHBondContact O-N 3.31Å
546	I	86.1	Confident	85	Confident	67 Å²	67	90.8 Å²	90.8	34%	0.344	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-48.2	175	-68	167.3	0	0	0	110.1	H357 V542 D543 R548 S549 I550	H357-I546 HydrophobicContact CB-CG1 4.31Å; V542-I546 HydrophobicContact CG1-CD1 3.77Å; V542-I546 HydrophobicContact CG1-CG1 4.38Å; V542-I546 VanDerWaalsContact O-CG1 3.29Å; V542-I546 WeakPolarHBondContact O-CG1 3.27Å; V542-I546 PolarHBondContact O-N 2.9Å; D543-I546 PolarHBondContact O-N 2.82Å; I546-R548 VanDerWaalsContact C-N 3.32Å; I546-R548 PolarHBondContact O-N 3.26Å; I546-S549 PolarHBondContact O-N 3.29Å; I546-I550 HydrophobicContact CG2-CD1 3.7Å; I546-I550 HydrophobicContact CG2-CG1 4.38Å; I546-I550 WeakPolarHBondContact O-CG1 3.47Å; I546-I550 PolarHBondContact O-N 3.23Å
547	A	87.6	Confident	83.7	Confident	49 Å²	49	94.7 Å²	94.7	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-58.4	-44.7	178.9	0	0	0	0	0	111.4	D543 Y544 S549 I550 V551	D543-A547 VanDerWaalsContact O-CB 3.24Å; D543-A547 WeakPolarHBondContact O-CB 3.38Å; D543-A547 PolarHBondContact O-N 3.3Å; Y544-A547 PolarHBondContact O-N 3.2Å; A547-S549 PolarHBondContact O-N 2.78Å; A547-I550 PolarHBondContact O-N 3.23Å; A547-V551 VanDerWaalsContact O-CG2 3.26Å; A547-V551 WeakPolarHBondContact O-CG2 3.41Å; A547-V551 PolarHBondContact O-N 3.34Å
548	R	87.9	Confident	82.3	Confident	149 Å²	149	94 Å²	94	56%	0.562	49%	0.493	S	S	*	.	H	α-helix	trans	-59.2	-47.8	175.3	-175.8	175.4	177.5	172.9	-0.3	111.8	Y544 A545 I546 I550 V551 D552	Y544-R548 WeakPolarHBondContact O-CB 3.41Å; Y544-R548 PolarHBondContact O-N 2.95Å; A545-R548 PolarHBondContact O-N 3.3Å; I546-R548 VanDerWaalsContact C-N 3.32Å; I546-R548 PolarHBondContact O-N 3.26Å; R548-I550 VanDerWaalsContact C-N 3.32Å; R548-I550 PolarHBondContact O-N 3.24Å; R548-V551 PolarHBondContact O-N 3.29Å; R548-D552 WeakPolarHBondContact O-CB 3.47Å; R548-D552 VanDerWaalsContact O-CG 3.27Å; R548-D552 PolarHBondContact O-N 3Å
549	S	78.6	Confident	80.6	Confident	33 Å²	33	92 Å²	92	23%	0.231	49%	0.491	C	S	.	.	H	α-helix	trans	-60.8	-40.1	178.6	-176.4	0	0	0	0	112.6	A545 I546 A547 D552 L553	A545-S549 PolarHBondContact O-N 3.31Å; I546-S549 PolarHBondContact O-N 3.29Å; A547-S549 PolarHBondContact O-N 2.78Å; S549-D552 PolarHBondContact O-N 3.29Å; S549-L553 WeakPolarHBondContact O-CB 3.4Å; S549-L553 PolarHBondContact O-N 3.16Å
550	I	84	Confident	78.6	Confident	87 Å²	87	93.4 Å²	93.4	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-42.1	176.7	-66.2	168.8	0	0	0	111	I546 A547 R548 L553 H554	I546-I550 HydrophobicContact CG2-CD1 3.7Å; I546-I550 HydrophobicContact CG2-CG1 4.38Å; I546-I550 WeakPolarHBondContact O-CG1 3.47Å; I546-I550 PolarHBondContact O-N 3.23Å; A547-I550 PolarHBondContact O-N 3.23Å; R548-I550 VanDerWaalsContact C-N 3.32Å; R548-I550 PolarHBondContact O-N 3.24Å; I550-L553 PolarHBondContact O-N 2.68Å; I550-H554 PolarHBondContact O-N 3.39Å; I550-H554 PolarHBondContact O-ND1 3.34Å
551	V	87.7	Confident	76.5	Confident	78 Å²	78	94.3 Å²	94.3	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-45.4	176.8	170.8	0	0	0	0	110.4	A547 R548 L553 H554 M555	A547-V551 VanDerWaalsContact O-CG2 3.26Å; A547-V551 WeakPolarHBondContact O-CG2 3.41Å; A547-V551 PolarHBondContact O-N 3.34Å; R548-V551 PolarHBondContact O-N 3.29Å; V551-L553 VanDerWaalsContact C-N 3.26Å; V551-L553 PolarHBondContact O-N 3.31Å; V551-H554 PolarHBondContact O-N 3.03Å; V551-H554 VanDerWaalsContact O-N 3.12Å; V551-M555 HydrophobicContact CG1-CG 4.12Å; V551-M555 HydrophobicContact CG1-SD 3.81Å; V551-M555 WeakPolarHBondContact O-CB 3.34Å; V551-M555 VanDerWaalsContact O-CG 3.31Å; V551-M555 WeakPolarHBondContact O-CG 3.44Å; V551-M555 PolarHBondContact O-N 3.43Å
552	D	84.5	Confident	74.4	Confident	52 Å²	52	95.1 Å²	95.1	28%	0.278	51%	0.512	S	S	.	.	H	α-helix	trans	-59.3	-39	177.5	-70.7	-27.4	0	0	0	111.7	R548 S549 R557	R548-D552 WeakPolarHBondContact O-CB 3.47Å; R548-D552 VanDerWaalsContact O-CG 3.27Å; R548-D552 PolarHBondContact O-N 3Å; S549-D552 PolarHBondContact O-N 3.29Å; D552-R557 PolarHBondContact O-N 3.44Å
553	L	80.1	Confident	72.8	Confident	82 Å²	82	96.7 Å²	96.7	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-64.7	-42.5	175.2	-173.4	146.6	0	0	0	112.2	T355 S549 I550 V551 G556 H558	T355-L553 HydrophobicContact CG2-CD1 4.08Å; S549-L553 WeakPolarHBondContact O-CB 3.4Å; S549-L553 PolarHBondContact O-N 3.16Å; I550-L553 PolarHBondContact O-N 2.68Å; V551-L553 VanDerWaalsContact C-N 3.26Å; V551-L553 PolarHBondContact O-N 3.31Å; L553-G556 PolarHBondContact O-N 2.86Å; L553-H558 WeakPolarHBondContact CB-NE2 3.46Å
554	H	84.1	Confident	71.1	Confident	152 Å²	152	101.4 Å²	101.4	70%	0.704	54%	0.541	S	S	*	.	H	α-helix	trans	-74.4	-30.7	178.9	-76.1	81.1	0	0	0	113.4	I550 V551 G556	I550-H554 PolarHBondContact O-N 3.39Å; I550-H554 PolarHBondContact O-ND1 3.34Å; V551-H554 PolarHBondContact O-N 3.03Å; V551-H554 VanDerWaalsContact O-N 3.12Å; H554-G556 PolarHBondContact O-N 3.48Å
555	M	82.1	Confident	69.7	Low	116 Å²	116	96.7 Å²	96.7	57%	0.571	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-6	174.9	-71.8	-173.9	75.7	0	0	112.7	V551 R557	V551-M555 HydrophobicContact CG1-CG 4.12Å; V551-M555 HydrophobicContact CG1-SD 3.81Å; V551-M555 WeakPolarHBondContact O-CB 3.34Å; V551-M555 VanDerWaalsContact O-CG 3.31Å; V551-M555 WeakPolarHBondContact O-CG 3.44Å; V551-M555 PolarHBondContact O-N 3.43Å; M555-R557 PolarHBondContact O-N 2.91Å
556	G	70.1	Confident	68.9	Low	60 Å²	60	100.7 Å²	100.7	62%	0.619	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	15.2	-178.1	0	0	0	0	0	113.1	L553 H554 H558	L553-G556 PolarHBondContact O-N 2.86Å; H554-G556 PolarHBondContact O-N 3.48Å; G556-H558 PolarHBondContact O-N 3.14Å; G556-H558 VanDerWaalsContact O-N 3.17Å
557	R	60.5	Low	68.6	Low	172 Å²	172	98.2 Å²	98.2	65%	0.649	53%	0.532	S	S	*	.			trans	-74.1	3.1	-179.9	-98.3	-177.3	165.1	174.4	-5.5	113.9	D552 M555 G559	D552-R557 PolarHBondContact O-N 3.44Å; M555-R557 PolarHBondContact O-N 2.91Å; R557-G559 PolarHBondContact O-N 3.02Å
558	H	54.5	Low	68.4	Low	103 Å²	103	98.7 Å²	98.7	48%	0.477	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	16.4	176.4	-90.3	-39.5	0	0	0	115.8	L553 G556	L553-H558 WeakPolarHBondContact CB-NE2 3.46Å; G556-H558 PolarHBondContact O-N 3.14Å; G556-H558 VanDerWaalsContact O-N 3.17Å
559	G	48.4	Very low	68.1	Low	73 Å²	73	94.4 Å²	94.4	75%	0.753	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-18.9	-170.8	0	0	0	0	0	117.6	R557	R557-G559 PolarHBondContact O-N 3.02Å
560	S	44.7	Very low	68.2	Low	95 Å²	95	95.9 Å²	95.9	66%	0.664	53%	0.528	S	S	*	.	S	Bend	trans	-135.5	-37.6	-162.1	54.8	0	0	0	0	120.1
561	E	45.2	Very low	68.3	Low	155 Å²	155	93.5 Å²	93.5	72%	0.724	52%	0.517	S	S	*	.	S	Bend	trans	-138.2	-20.2	-164.7	-64.3	-170.4	161.7	0	0	119.7
562	D	46.3	Very low	68.2	Low	152 Å²	152	89.8 Å²	89.8	81%	0.813	49%	0.494	S	S	*	.	S	Bend	trans	-120.1	5.8	-165.9	-79.7	-31.1	0	0	0	118.7
563	T	51.7	Low	68.2	Low	89 Å²	89	90.8 Å²	90.8	55%	0.546	49%	0.494	S	S	.	.			trans	-140.2	80.7	162.5	55.8	0	0	0	0	110.1	T565	T563-T565 PolarHBondContact O-N 2.93Å
564	H	50.8	Low	68.2	Low	169 Å²	169	88.3 Å²	88.3	78%	0.782	48%	0.479	S	S	*	.			trans	-61.4	86.5	160.1	-76	-70.8	0	0	0	108	I566	H564-I566 PolarHBondContact O-N 2.86Å
565	T	61.4	Low	68.4	Low	67 Å²	67	81.1 Å²	81.1	41%	0.411	45%	0.446	S	S	.	.			trans	-62	110.8	167.2	51.4	0	0	0	0	106.2	T563 Y567	T563-T565 PolarHBondContact O-N 2.93Å; T565-Y567 PolarHBondContact O-N 3.45Å; T565-Y567 VanDerWaalsContact O-N 3.15Å
566	I	70.9	Confident	68.5	Low	114 Å²	114	76.2 Å²	76.2	59%	0.585	42%	0.422	S	S	*	.	S	Bend	trans	-57.1	-32.7	-175.3	-57.5	168.2	0	0	0	110.5	N347 H564	N347-I566 HydrophobicContact CB-CD1 4.29Å; H564-I566 PolarHBondContact O-N 2.86Å
567	Y	80.2	Confident	69.1	Low	15 Å²	15	74.4 Å²	74.4	6%	0.059	40%	0.401	C	S	.	.	S	Bend	trans	-119.8	136.2	-179.3	-45.7	-60.3	0	0	0	111.7	M338 D341 L344 N347 M348 T565	M338-Y567 HydrophobicContact CE-CD1 3.78Å; M338-Y567 HydrophobicContact CE-CD2 4Å; M338-Y567 HydrophobicContact CE-CE1 4.17Å; M338-Y567 HydrophobicContact CE-CE2 4.33Å; M338-Y567 HydrophobicContact CE-CG 3.7Å; M338-Y567 HydrophobicContact CG-CD1 3.79Å; M338-Y567 HydrophobicContact CG-CE1 3.57Å; M338-Y567 HydrophobicContact SD-CD1 3.86Å; M338-Y567 HydrophobicContact SD-CE1 4.26Å; M338-Y567 HydrophobicContact SD-CG 4.31Å; D341-Y567 PolarHBondContact OD2-OH 3Å; L344-Y567 HydrophobicContact CD1-CE2 4.32Å; N347-Y567 HydrophobicContact CB-CD2 4.44Å; N347-Y567 HydrophobicContact CB-CE2 3.63Å; M348-Y567 HydrophobicContact CG-CD2 4.44Å; M348-Y567 HydrophobicContact CG-CE2 4.5Å; T565-Y567 PolarHBondContact O-N 3.45Å; T565-Y567 VanDerWaalsContact O-N 3.15Å
568	S	83.6	Confident	70.1	Confident	59 Å²	59	67.7 Å²	67.7	41%	0.413	38%	0.376	S	S	.	.			trans	-68.4	147.8	166.9	174.4	0	0	0	0	110.8	D570 N571 I572	S568-D570 PolarHBondContact O-N 3.4Å; S568-D570 PolarHBondContact OG-N 3.5Å; S568-N571 WeakPolarHBondContact O-CB 3.49Å; S568-N571 PolarHBondContact O-N 3.32Å; S568-I572 WeakPolarHBondContact O-CG1 2.84Å; S568-I572 PolarHBondContact O-N 3.35Å; S568-I572 VanDerWaalsContact O-N 3.09Å
569	V	81.9	Confident	71.6	Confident	60 Å²	60	62.8 Å²	62.8	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-54	-37.8	175.8	-178.4	0	0	0	0	111.6	F410 I572 R573	F410-V569 HydrophobicContact CD2-CG1 3.61Å; F410-V569 HydrophobicContact CE2-CG1 3.71Å; V569-I572 PolarHBondContact O-N 3.41Å; V569-R573 WeakPolarHBondContact O-CG 3.31Å; V569-R573 PolarHBondContact O-N 3.28Å
570	D	80.8	Confident	73.2	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	33%	0.334	S	S	.	.	H	α-helix	trans	-71.7	-33.1	179.8	-66.5	-32.1	0	0	0	112.6	S568 I572 R573 R574	S568-D570 PolarHBondContact O-N 3.4Å; S568-D570 PolarHBondContact OG-N 3.5Å; D570-I572 VanDerWaalsContact C-N 3.32Å; D570-R573 PolarHBondContact O-N 3.47Å; D570-R573 IonicContact OD1-CZ 2.75Å; D570-R573 IonicContact OD1-NH1 3.76Å; D570-R573 PolarHBondContact OD1-NH1 2.67Å; D570-R574 WeakPolarHBondContact O-CG 3.23Å; D570-R574 PolarHBondContact O-N 3.28Å
571	N	84.7	Confident	74.9	Confident	38 Å²	38	60.4 Å²	60.4	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-40	172.8	-64.5	-5.5	0	0	0	110.1	M338 S568 R574 Y575	M338-N571 HydrophobicContact SD-CB 4.17Å; S568-N571 WeakPolarHBondContact O-CB 3.49Å; S568-N571 PolarHBondContact O-N 3.32Å; N571-R574 PolarHBondContact O-N 2.78Å; N571-R574 VanDerWaalsContact OD1-CZ 3.25Å; N571-R574 PolarHBondContact OD1-NH1 3.18Å; N571-R574 PolarHBondContact OD1-NH2 2.9Å; N571-Y575 VanDerWaalsContact O-CB 3.31Å; N571-Y575 WeakPolarHBondContact O-CB 3.34Å; N571-Y575 PolarHBondContact O-N 3.17Å
572	I	86	Confident	76.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-42	177.5	-59.7	166.9	0	0	0	111	M338 M348 S351 L352 F410 S568 V569 D570 Y575 I576	M338-I572 HydrophobicContact CE-CG1 4.49Å; M348-I572 HydrophobicContact CE-CG2 3.57Å; S351-I572 WeakPolarHBondContact OG-CD1 3.41Å; L352-I572 HydrophobicContact CD1-CG2 4.47Å; L352-I572 HydrophobicContact CD2-CD1 4Å; L352-I572 HydrophobicContact CD2-CG2 3.98Å; L352-I572 HydrophobicContact CG-CD1 4.13Å; L352-I572 HydrophobicContact CG-CG2 4.36Å; F410-I572 HydrophobicContact CE2-CB 4.17Å; F410-I572 HydrophobicContact CE2-CG2 3.99Å; F410-I572 HydrophobicContact CZ-CB 4.21Å; F410-I572 HydrophobicContact CZ-CG2 3.67Å; S568-I572 WeakPolarHBondContact O-CG1 2.84Å; S568-I572 PolarHBondContact O-N 3.35Å; S568-I572 VanDerWaalsContact O-N 3.09Å; V569-I572 PolarHBondContact O-N 3.41Å; D570-I572 VanDerWaalsContact C-N 3.32Å; I572-Y575 PolarHBondContact O-N 2.84Å; I572-I576 HydrophobicContact CG2-CD1 3.86Å; I572-I576 HydrophobicContact CG2-CG1 4.41Å; I572-I576 WeakPolarHBondContact O-CG1 3.34Å; I572-I576 PolarHBondContact O-N 2.65Å
573	R	84.2	Confident	78.6	Confident	72 Å²	72	53.3 Å²	53.3	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-47.8	174.8	-73.2	174.8	177.7	150.6	-7.4	111.8	R409 F410 V569 D570 Y575 I576 A577	R409-R573 PolarHBondContact O-NH2 3.5Å; F410-R573 HydrophobicContact CD2-CG 4.3Å; F410-R573 HydrophobicContact CE1-CG 4.29Å; F410-R573 HydrophobicContact CE2-CG 3.58Å; F410-R573 HydrophobicContact CZ-CB 4.38Å; F410-R573 HydrophobicContact CZ-CG 3.54Å; F410-R573 PolarHBondContact O-NE 3.07Å; F410-R573 PolarHBondContact O-NH2 3.46Å; V569-R573 WeakPolarHBondContact O-CG 3.31Å; V569-R573 PolarHBondContact O-N 3.28Å; D570-R573 PolarHBondContact O-N 3.47Å; D570-R573 IonicContact OD1-CZ 2.75Å; D570-R573 IonicContact OD1-NH1 3.76Å; D570-R573 PolarHBondContact OD1-NH1 2.67Å; R573-Y575 VanDerWaalsContact C-N 3.32Å; R573-Y575 PolarHBondContact O-N 3.07Å; R573-I576 PolarHBondContact O-N 3.33Å; R573-A577 WeakPolarHBondContact O-CB 3.47Å; R573-A577 PolarHBondContact O-N 2.81Å
574	R	80.7	Confident	80.4	Confident	31 Å²	31	49.5 Å²	49.5	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-44.5	175.6	-79.8	-177.2	-107.1	123.2	1.6	111.5	Y306 E331 D570 N571 A577 F578	Y306-R574 HydrophobicContact CD1-CG 3.46Å; Y306-R574 VanDerWaalsContact CD1-CG 3.46Å; Y306-R574 VanDerWaalsContact CE1-CD 3.49Å; Y306-R574 HydrophobicContact CE1-CG 3.28Å; Y306-R574 HydrophobicContact CG-CG 4.32Å; E331-R574 IonicContact OE1-CZ 2.76Å; E331-R574 IonicContact OE1-NE 2.89Å; D570-R574 WeakPolarHBondContact O-CG 3.23Å; D570-R574 PolarHBondContact O-N 3.28Å; N571-R574 PolarHBondContact O-N 2.78Å; N571-R574 VanDerWaalsContact OD1-CZ 3.25Å; N571-R574 PolarHBondContact OD1-NH1 3.18Å; N571-R574 PolarHBondContact OD1-NH2 2.9Å; R574-A577 PolarHBondContact O-N 3.3Å; R574-F578 WeakPolarHBondContact O-CB 3.24Å; R574-F578 PolarHBondContact O-N 2.82Å
575	Y	86.9	Confident	82.2	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-46.9	177.8	-170.9	-92.9	0	0	0	112.3	I335 M338 L344 M348 N571 I572 R573 A577 F578 A579 L634 C636	I335-Y575 HydrophobicContact CB-CD2 4.48Å; I335-Y575 HydrophobicContact CG2-CD2 3.93Å; I335-Y575 HydrophobicContact CG2-CE2 4.16Å; M338-Y575 HydrophobicContact CB-CD2 3.9Å; M338-Y575 HydrophobicContact CB-CE2 3.89Å; M338-Y575 HydrophobicContact CE-CD2 4.34Å; M338-Y575 HydrophobicContact CE-CG 4.21Å; M338-Y575 HydrophobicContact SD-CD2 4.42Å; L344-Y575 HydrophobicContact CD2-CE1 3.82Å; L344-Y575 VanDerWaalsContact CD2-OH 3.24Å; L344-Y575 WeakPolarHBondContact CD2-OH 3.49Å; M348-Y575 HydrophobicContact CE-CD1 3.94Å; M348-Y575 HydrophobicContact SD-CD1 4.38Å; M348-Y575 HydrophobicContact SD-CE1 4.45Å; N571-Y575 VanDerWaalsContact O-CB 3.31Å; N571-Y575 WeakPolarHBondContact O-CB 3.34Å; N571-Y575 PolarHBondContact O-N 3.17Å; I572-Y575 PolarHBondContact O-N 2.84Å; R573-Y575 VanDerWaalsContact C-N 3.32Å; R573-Y575 PolarHBondContact O-N 3.07Å; Y575-A577 PolarHBondContact O-N 2.81Å; Y575-F578 PolarHBondContact O-N 2.91Å; Y575-A579 WeakPolarHBondContact O-CB 3.4Å; Y575-A579 PolarHBondContact O-N 3.46Å; Y575-L634 HydrophobicContact CE1-CD1 4.36Å; Y575-L634 WeakPolarHBondContact CE1-O 3.43Å; Y575-L634 PolarHBondContact OH-O 3.19Å; Y575-C636 PolarHBondContact OH-SG 3.46Å
576	I	86.1	Confident	83.5	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-40.9	178.8	-69.1	169.8	0	0	0	111	M348 L367 L370 F410 I572 R573 F578 A579 R580	M348-I576 HydrophobicContact CE-CD1 4.45Å; M348-I576 HydrophobicContact CE-CG1 4.24Å; L367-I576 HydrophobicContact CD1-CD1 4.37Å; L370-I576 HydrophobicContact CB-CD1 4.27Å; L370-I576 HydrophobicContact CD1-CD1 4.46Å; F410-I576 HydrophobicContact CE1-CD1 3.66Å; F410-I576 HydrophobicContact CZ-CD1 3.78Å; I572-I576 HydrophobicContact CG2-CD1 3.86Å; I572-I576 HydrophobicContact CG2-CG1 4.41Å; I572-I576 WeakPolarHBondContact O-CG1 3.34Å; I572-I576 PolarHBondContact O-N 2.65Å; R573-I576 PolarHBondContact O-N 3.33Å; I576-F578 VanDerWaalsContact C-N 3.3Å; I576-F578 PolarHBondContact O-N 2.87Å; I576-A579 PolarHBondContact O-N 2.79Å; I576-R580 WeakPolarHBondContact O-CG 3.31Å; I576-R580 PolarHBondContact O-N 3.45Å
577	A	81	Confident	84.5	Confident	22 Å²	22	44.6 Å²	44.6	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-42.7	175.3	0	0	0	0	0	111.6	Y306 R573 R574 Y575	Y306-A577 WeakPolarHBondContact O-CB 3.3Å; R573-A577 WeakPolarHBondContact O-CB 3.47Å; R573-A577 PolarHBondContact O-N 2.81Å; R574-A577 PolarHBondContact O-N 3.3Å; Y575-A577 PolarHBondContact O-N 2.81Å
578	F	82.3	Confident	85	Confident	31 Å²	31	46.4 Å²	46.4	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-44.5	174.9	-175.3	-105.4	0	0	0	112.5	L323 I335 R574 Y575 I576 R580 C581 F582	L323-F578 HydrophobicContact CD2-CB 4.36Å; L323-F578 HydrophobicContact CD2-CD2 4.16Å; I335-F578 HydrophobicContact CD1-CB 4.41Å; I335-F578 HydrophobicContact CG2-CD1 3.55Å; I335-F578 HydrophobicContact CG2-CE1 3.86Å; I335-F578 HydrophobicContact CG2-CG 4.13Å; R574-F578 WeakPolarHBondContact O-CB 3.24Å; R574-F578 PolarHBondContact O-N 2.82Å; Y575-F578 PolarHBondContact O-N 2.91Å; I576-F578 VanDerWaalsContact C-N 3.3Å; I576-F578 PolarHBondContact O-N 2.87Å; F578-R580 VanDerWaalsContact C-N 3.28Å; F578-R580 PolarHBondContact O-N 2.84Å; F578-C581 WeakPolarHBondContact O-CB 3.31Å; F578-C581 PolarHBondContact O-N 3.24Å; F578-F582 AromaticContact CD1-CE2 3.76Å; F578-F582 HydrophobicContact CD1-CE2 3.76Å; F578-F582 HydrophobicContact CD1-CZ 4.47Å; F578-F582 AromaticContact CE1-CE2 3.39Å; F578-F582 HydrophobicContact CE1-CE2 3.39Å; F578-F582 AromaticContact CE1-CZ 3.67Å; F578-F582 HydrophobicContact CE1-CZ 3.67Å; F578-F582 HydrophobicContact CG-CE2 4.47Å; F578-F582 AromaticContact CZ-CE2 3.81Å; F578-F582 HydrophobicContact CZ-CE2 3.81Å; F578-F582 AromaticContact CZ-CZ 3.72Å; F578-F582 HydrophobicContact CZ-CZ 3.72Å
579	A	85.2	Confident	85.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-34.6	178.7	0	0	0	0	0	113	Y575 I576 C581 F582 R633	Y575-A579 WeakPolarHBondContact O-CB 3.4Å; Y575-A579 PolarHBondContact O-N 3.46Å; I576-A579 PolarHBondContact O-N 2.79Å; A579-C581 VanDerWaalsContact C-N 3.25Å; A579-C581 PolarHBondContact O-N 3.2Å; A579-F582 PolarHBondContact O-N 3.39Å; A579-R633 WeakPolarHBondContact CB-O 3.29Å
580	R	82.6	Confident	85.9	Confident	92 Å²	92	47.8 Å²	47.8	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-24.4	178.3	-76.6	179.6	75.7	173.5	7.2	113.7	C371 N452 I576 F578 F582	C371-R580 WeakPolarHBondContact O-CG 3.49Å; N452-R580 PolarHBondContact O-NH1 3.27Å; N452-R580 VanDerWaalsContact O-NH1 3.16Å; N452-R580 PolarHBondContact O-NH2 3.45Å; I576-R580 WeakPolarHBondContact O-CG 3.31Å; I576-R580 PolarHBondContact O-N 3.45Å; F578-R580 VanDerWaalsContact C-N 3.28Å; F578-R580 PolarHBondContact O-N 2.84Å; R580-F582 VanDerWaalsContact C-N 3.28Å; R580-F582 PolarHBondContact O-N 2.7Å
581	C	80.5	Confident	86.4	Confident	27 Å²	27	50.1 Å²	50.1	18%	0.182	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.5	178.4	-67.5	0	0	0	0	112.9	L323 F578 A579	L323-C581 VanDerWaalsContact CD2-SG 3.59Å; F578-C581 WeakPolarHBondContact O-CB 3.31Å; F578-C581 PolarHBondContact O-N 3.24Å; A579-C581 VanDerWaalsContact C-N 3.25Å; A579-C581 PolarHBondContact O-N 3.2Å
582	F	83.3	Confident	86.8	Confident	30 Å²	30	54.8 Å²	54.8	13%	0.132	27%	0.271	C	S	.	.			trans	-74.8	137.9	-179.4	-67.2	-80.3	0	0	0	111.9	F578 A579 R580 P584 R633 C636 D638	F578-F582 AromaticContact CD1-CE2 3.76Å; F578-F582 HydrophobicContact CD1-CE2 3.76Å; F578-F582 HydrophobicContact CD1-CZ 4.47Å; F578-F582 AromaticContact CE1-CE2 3.39Å; F578-F582 HydrophobicContact CE1-CE2 3.39Å; F578-F582 AromaticContact CE1-CZ 3.67Å; F578-F582 HydrophobicContact CE1-CZ 3.67Å; F578-F582 HydrophobicContact CG-CE2 4.47Å; F578-F582 AromaticContact CZ-CE2 3.81Å; F578-F582 HydrophobicContact CZ-CE2 3.81Å; F578-F582 AromaticContact CZ-CZ 3.72Å; F578-F582 HydrophobicContact CZ-CZ 3.72Å; A579-F582 PolarHBondContact O-N 3.39Å; R580-F582 VanDerWaalsContact C-N 3.28Å; R580-F582 PolarHBondContact O-N 2.7Å; F582-P584 WeakPolarHBondContact O-CD 3.34Å; F582-R633 PolarHBondContact O-NE 3.22Å; F582-R633 PolarHBondContact O-NH2 2.79Å; F582-C636 HydrophobicContact CD2-CB 4.36Å; F582-C636 HydrophobicContact CE2-CB 3.96Å; F582-C636 HydrophobicContact CZ-CB 4.34Å; F582-D638 WeakPolarHBondContact CD1-OD1 3.49Å
583	K	85.9	Confident	87	Confident	128 Å²	128	55 Å²	55	56%	0.557	27%	0.272	S	S	*	.			trans	-115.8	80	175.5	-65.1	-177.1	-175.8	177.8	0	108.5	D316 V374	D316-K583 PolarHBondContact O-NZ 2.97Å; D316-K583 VanDerWaalsContact O-NZ 3.17Å; V374-K583 HydrophobicContact CG1-CG 4.49Å
584	P	89	Confident	87.3	Confident	8 Å²	8	52 Å²	52	5%	0.052	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.9	139	-176.5	24.8	-35.3	0	0	0	111.7	V374 F582 E629 A632 R633 D638 V640	V374-P584 HydrophobicContact CG2-CG 4.02Å; F582-P584 WeakPolarHBondContact O-CD 3.34Å; P584-E629 HydrophobicContact CG-CB 4.24Å; P584-A632 HydrophobicContact CB-CB 3.88Å; P584-A632 HydrophobicContact CG-CB 4.11Å; P584-R633 HydrophobicContact CG-CG 3.98Å; P584-D638 CarbonylContact C-O 3.48Å; P584-D638 VanDerWaalsContact CA-O 3.27Å; P584-D638 WeakPolarHBondContact CA-O 3.3Å; P584-V640 HydrophobicContact CB-CG2 4.1Å
585	K	89.3	Confident	87.9	Confident	159 Å²	159	54.9 Å²	54.9	69%	0.691	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	141.3	174.2	-64.9	-178.1	-178.1	176.8	0	110.5	S587 D638 T639 V640	K585-S587 PolarHBondContact O-N 2.87Å; K585-D638 PolarHBondContact N-O 3.27Å; K585-T639 CarbonylContact O-C 3.49Å; K585-T639 VanDerWaalsContact O-CA 3.3Å; K585-T639 WeakPolarHBondContact O-CA 3.32Å; K585-V640 PolarHBondContact O-N 2.93Å
586	I	89.4	Confident	88.1	Confident	54 Å²	54	59.8 Å²	59.8	28%	0.277	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.7	177.5	-60.7	167.5	0	0	0	108.7	A590 M591 M594 V625 V640	I586-A590 HydrophobicContact CG2-CB 4.35Å; I586-M591 HydrophobicContact CG2-CB 4.31Å; I586-M594 HydrophobicContact CD1-CE 4.29Å; I586-M594 HydrophobicContact CG1-CE 4.47Å; I586-M594 HydrophobicContact CG2-CE 3.42Å; I586-M594 VanDerWaalsContact CG2-CE 3.42Å; I586-V625 HydrophobicContact CD1-CG1 3.96Å; I586-V640 HydrophobicContact CG1-CG2 4.26Å
587	S	91.6	Very high	88.2	Confident	35 Å²	35	60.1 Å²	60.1	25%	0.245	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-74.8	154.2	172.7	63.8	0	0	0	0	111.2	K585 E589 A590 M591 V640	K585-S587 PolarHBondContact O-N 2.87Å; S587-E589 VanDerWaalsContact C-N 3.29Å; S587-E589 PolarHBondContact O-N 2.88Å; S587-A590 PolarHBondContact O-N 3.45Å; S587-A590 WeakPolarHBondContact OG-CB 3.3Å; S587-A590 PolarHBondContact OG-N 3.3Å; S587-M591 PolarHBondContact O-N 3.17Å; S587-V640 WeakPolarHBondContact CB-O 3.27Å; S587-V640 PolarHBondContact OG-O 2.83Å
588	G	90.8	Very high	88.6	Confident	53 Å²	53	60.5 Å²	60.5	55%	0.546	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-41	176.3	0	0	0	0	0	112.6	A590 M591 E592	G588-A590 PolarHBondContact O-N 3.33Å; G588-M591 WeakPolarHBondContact O-CB 3.44Å; G588-M591 PolarHBondContact O-N 3.31Å; G588-M591 VanDerWaalsContact O-N 3.15Å; G588-E592 PolarHBondContact O-N 3.43Å; G588-E592 VanDerWaalsContact O-N 3.1Å
589	E	91.5	Very high	88.9	Confident	147 Å²	147	65.1 Å²	65.1	69%	0.687	32%	0.323	S	S	*	.	H	α-helix	trans	-62.7	-40.4	176.2	-61.7	-178.3	177.9	0	0	112.6	S587 M591 C593	S587-E589 VanDerWaalsContact C-N 3.29Å; S587-E589 PolarHBondContact O-N 2.88Å; E589-M591 VanDerWaalsContact C-N 3.31Å; E589-C593 WeakPolarHBondContact O-CB 3.25Å; E589-C593 PolarHBondContact O-N 3.41Å; E589-C593 VanDerWaalsContact O-N 3.09Å
590	A	91.2	Very high	88.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-35.5	175.4	0	0	0	0	0	111.6	I586 S587 G588 C593 M594 V640 V645	I586-A590 HydrophobicContact CG2-CB 4.35Å; S587-A590 PolarHBondContact O-N 3.45Å; S587-A590 WeakPolarHBondContact OG-CB 3.3Å; S587-A590 PolarHBondContact OG-N 3.3Å; G588-A590 PolarHBondContact O-N 3.33Å; A590-C593 PolarHBondContact O-N 3.13Å; A590-M594 WeakPolarHBondContact O-CB 3.36Å; A590-M594 WeakPolarHBondContact O-CG 3.49Å; A590-M594 PolarHBondContact O-N 2.83Å; A590-V640 HydrophobicContact CB-CG1 4.27Å; A590-V640 WeakPolarHBondContact CB-O 3.45Å; A590-V645 HydrophobicContact CB-CG2 3.97Å
591	M	91.8	Very high	88.9	Confident	112 Å²	112	65.7 Å²	65.7	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-62.2	-49	176.6	-174.7	-177	-67	0	0	111.7	I586 S587 G588 E589 C593 M594 V595	I586-M591 HydrophobicContact CG2-CB 4.31Å; S587-M591 PolarHBondContact O-N 3.17Å; G588-M591 WeakPolarHBondContact O-CB 3.44Å; G588-M591 PolarHBondContact O-N 3.31Å; G588-M591 VanDerWaalsContact O-N 3.15Å; E589-M591 VanDerWaalsContact C-N 3.31Å; M591-C593 VanDerWaalsContact C-N 3.32Å; M591-C593 PolarHBondContact O-N 3.03Å; M591-M594 PolarHBondContact O-N 2.96Å; M591-V595 WeakPolarHBondContact O-CG2 3.49Å; M591-V595 PolarHBondContact O-N 3.13Å; M591-V595 VanDerWaalsContact O-N 3.1Å
592	E	92.8	Very high	89	Confident	137 Å²	137	71.5 Å²	71.5	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-60.1	-44.5	176.1	-68.9	-179.8	176.2	0	0	111	G588 M594 V595 E596	G588-E592 PolarHBondContact O-N 3.43Å; G588-E592 VanDerWaalsContact O-N 3.1Å; E592-M594 PolarHBondContact O-N 2.93Å; E592-V595 PolarHBondContact O-N 2.8Å; E592-E596 WeakPolarHBondContact O-CG 3.45Å; E592-E596 PolarHBondContact O-N 3.24Å
593	C	91.2	Very high	89	Confident	4 Å²	4	75.1 Å²	75.1	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-41.1	176.8	-167.8	0	0	0	0	112.5	E589 A590 M591 V595 E596 E597 K642	E589-C593 WeakPolarHBondContact O-CB 3.25Å; E589-C593 PolarHBondContact O-N 3.41Å; E589-C593 VanDerWaalsContact O-N 3.09Å; A590-C593 PolarHBondContact O-N 3.13Å; M591-C593 VanDerWaalsContact C-N 3.32Å; M591-C593 PolarHBondContact O-N 3.03Å; C593-V595 VanDerWaalsContact C-N 3.34Å; C593-V595 PolarHBondContact O-N 2.94Å; C593-E596 PolarHBondContact O-N 2.98Å; C593-E597 WeakPolarHBondContact O-CB 3.39Å; C593-E597 WeakPolarHBondContact O-CG 3.35Å; C593-E597 PolarHBondContact O-N 3.47Å; C593-K642 HydrophobicContact CB-CG 4.24Å
594	M	91.2	Very high	88.6	Confident	9 Å²	9	74.5 Å²	74.5	4%	0.044	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-40.2	177.4	-77.9	-173.8	-76.3	0	0	112	I586 A590 M591 E592 Y598 L624 V625 V645	I586-M594 HydrophobicContact CD1-CE 4.29Å; I586-M594 HydrophobicContact CG1-CE 4.47Å; I586-M594 HydrophobicContact CG2-CE 3.42Å; I586-M594 VanDerWaalsContact CG2-CE 3.42Å; A590-M594 WeakPolarHBondContact O-CB 3.36Å; A590-M594 WeakPolarHBondContact O-CG 3.49Å; A590-M594 PolarHBondContact O-N 2.83Å; M591-M594 PolarHBondContact O-N 2.96Å; E592-M594 PolarHBondContact O-N 2.93Å; M594-Y598 VanDerWaalsContact O-CB 3.24Å; M594-Y598 WeakPolarHBondContact O-CB 3.32Å; M594-Y598 PolarHBondContact O-N 3.28Å; M594-L624 HydrophobicContact CB-CD2 4.49Å; M594-L624 HydrophobicContact CG-CD2 4.29Å; M594-V625 HydrophobicContact SD-CG2 3.82Å; M594-V645 HydrophobicContact CB-CG1 4.5Å; M594-V645 HydrophobicContact CG-CB 4.37Å; M594-V645 HydrophobicContact CG-CG1 3.52Å; M594-V645 HydrophobicContact CG-CG2 3.85Å; M594-V645 HydrophobicContact SD-CG2 4.34Å
595	V	91.7	Very high	88	Confident	91 Å²	91	76.1 Å²	76.1	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-42.7	177.3	175.4	0	0	0	0	110.9	M591 E592 C593 Y598 K599	M591-V595 WeakPolarHBondContact O-CG2 3.49Å; M591-V595 PolarHBondContact O-N 3.13Å; M591-V595 VanDerWaalsContact O-N 3.1Å; E592-V595 PolarHBondContact O-N 2.8Å; C593-V595 VanDerWaalsContact C-N 3.34Å; C593-V595 PolarHBondContact O-N 2.94Å; V595-Y598 PolarHBondContact O-N 2.99Å; V595-K599 WeakPolarHBondContact O-CB 3.22Å; V595-K599 PolarHBondContact O-N 3.23Å
596	E	91.4	Very high	87.3	Confident	103 Å²	103	72.7 Å²	72.7	48%	0.481	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-49	175.4	-74.9	-174.2	176.9	0	0	112.1	E592 C593 Y598 K599 K600	E592-E596 WeakPolarHBondContact O-CG 3.45Å; E592-E596 PolarHBondContact O-N 3.24Å; C593-E596 PolarHBondContact O-N 2.98Å; E596-Y598 VanDerWaalsContact C-N 3.34Å; E596-Y598 PolarHBondContact O-N 3.46Å; E596-K599 WeakPolarHBondContact O-CB 3.47Å; E596-K599 PolarHBondContact O-N 2.95Å; E596-K600 WeakPolarHBondContact O-CG 3.34Å; E596-K600 PolarHBondContact O-N 2.76Å
597	E	88.5	Confident	86.3	Confident	20 Å²	20	75.3 Å²	75.3	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-37.5	179.6	-67.6	-48.5	141.8	0	0	111.8	C593 K600 M601 F649	C593-E597 WeakPolarHBondContact O-CB 3.39Å; C593-E597 WeakPolarHBondContact O-CG 3.35Å; C593-E597 PolarHBondContact O-N 3.47Å; E597-K600 PolarHBondContact O-N 3.21Å; E597-K600 IonicContact OE1-NZ 3.78Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 WeakPolarHBondContact OE2-CD 3.45Å; E597-K600 IonicContact OE2-NZ 2.93Å; E597-M601 VanDerWaalsContact O-CB 3.3Å; E597-M601 WeakPolarHBondContact O-CB 3.32Å; E597-M601 PolarHBondContact O-N 2.68Å; E597-F649 HydrophobicContact CB-CD1 4.31Å; E597-F649 HydrophobicContact CB-CD2 3.89Å; E597-F649 HydrophobicContact CB-CE1 4.32Å; E597-F649 HydrophobicContact CB-CE2 3.93Å; E597-F649 HydrophobicContact CB-CG 4.08Å; E597-F649 HydrophobicContact CB-CZ 4.12Å; E597-F649 HydrophobicContact CG-CD1 4.13Å; E597-F649 HydrophobicContact CG-CE1 4.34Å; E597-F649 HydrophobicContact CG-CG 4.2Å; E597-F649 WeakPolarHBondContact OE2-CD1 3.34Å; E597-F649 WeakPolarHBondContact OE2-CE1 3.48Å; E597-F649 WeakPolarHBondContact OE2-CZ 3.49Å
598	Y	88.8	Confident	84.7	Confident	30 Å²	30	76 Å²	76	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-41.4	172.5	179	-108.7	0	0	0	112.4	M594 V595 E596 M601 R602 L621	M594-Y598 VanDerWaalsContact O-CB 3.24Å; M594-Y598 WeakPolarHBondContact O-CB 3.32Å; M594-Y598 PolarHBondContact O-N 3.28Å; V595-Y598 PolarHBondContact O-N 2.99Å; E596-Y598 VanDerWaalsContact C-N 3.34Å; E596-Y598 PolarHBondContact O-N 3.46Å; Y598-M601 HydrophobicContact CD2-CE 3.6Å; Y598-M601 HydrophobicContact CE2-CE 4.05Å; Y598-M601 PolarHBondContact O-N 3.2Å; Y598-R602 WeakPolarHBondContact O-CB 3.45Å; Y598-R602 PolarHBondContact O-N 2.95Å; Y598-L621 HydrophobicContact CD1-CD2 4.49Å; Y598-L621 HydrophobicContact CD2-CB 3.87Å; Y598-L621 HydrophobicContact CD2-CD1 4.2Å; Y598-L621 HydrophobicContact CD2-CG 4.48Å; Y598-L621 HydrophobicContact CE2-CB 3.96Å; Y598-L621 HydrophobicContact CG-CB 4.43Å; Y598-L621 HydrophobicContact CG-CD1 4.07Å
599	K	88.7	Confident	83.1	Confident	129 Å²	129	77.2 Å²	77.2	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-62.8	-45.9	175.2	-176	179.9	177.1	-176.9	0	111.1	V595 E596 M601 R602 Q603	V595-K599 WeakPolarHBondContact O-CB 3.22Å; V595-K599 PolarHBondContact O-N 3.23Å; E596-K599 WeakPolarHBondContact O-CB 3.47Å; E596-K599 PolarHBondContact O-N 2.95Å; K599-M601 VanDerWaalsContact C-N 3.33Å; K599-M601 PolarHBondContact O-N 3.39Å; K599-R602 PolarHBondContact O-N 3.23Å; K599-Q603 HydrophobicContact CG-CG 4.4Å; K599-Q603 WeakPolarHBondContact O-CB 3.28Å; K599-Q603 VanDerWaalsContact O-CG 3.29Å; K599-Q603 WeakPolarHBondContact O-CG 3.34Å; K599-Q603 PolarHBondContact O-N 3.45Å
600	K	85.4	Confident	81.4	Confident	100 Å²	100	72.7 Å²	72.7	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-44	175.8	-70.6	171.7	-166.2	167.3	0	111.3	E596 E597 R602 Q603 R604	E596-K600 WeakPolarHBondContact O-CG 3.34Å; E596-K600 PolarHBondContact O-N 2.76Å; E597-K600 PolarHBondContact O-N 3.21Å; E597-K600 IonicContact OE1-NZ 3.78Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 WeakPolarHBondContact OE2-CD 3.45Å; E597-K600 IonicContact OE2-NZ 2.93Å; K600-R602 PolarHBondContact O-N 3.09Å; K600-Q603 PolarHBondContact O-N 3.15Å; K600-R604 WeakPolarHBondContact O-CB 3.07Å; K600-R604 PolarHBondContact O-N 2.87Å
601	M	82.8	Confident	79.8	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.02	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-45.6	177.4	-176.6	175.7	60.4	0	0	111.7	E597 Y598 K599 R604 D605 I616 Q620 F649 L652 I656	E597-M601 VanDerWaalsContact O-CB 3.3Å; E597-M601 WeakPolarHBondContact O-CB 3.32Å; E597-M601 PolarHBondContact O-N 2.68Å; Y598-M601 HydrophobicContact CD2-CE 3.6Å; Y598-M601 HydrophobicContact CE2-CE 4.05Å; Y598-M601 PolarHBondContact O-N 3.2Å; K599-M601 VanDerWaalsContact C-N 3.33Å; K599-M601 PolarHBondContact O-N 3.39Å; M601-R604 PolarHBondContact O-N 3.45Å; M601-D605 PolarHBondContact O-N 3.28Å; M601-D605 VanDerWaalsContact O-N 3.15Å; M601-I616 HydrophobicContact CE-CG2 3.5Å; M601-I616 HydrophobicContact CG-CD1 3.4Å; M601-I616 VanDerWaalsContact CG-CD1 3.4Å; M601-I616 HydrophobicContact CG-CG2 4.08Å; M601-I616 HydrophobicContact SD-CD1 4.12Å; M601-I616 HydrophobicContact SD-CG2 4.03Å; M601-Q620 HydrophobicContact CE-CB 4Å; M601-F649 HydrophobicContact CB-CE2 4.06Å; M601-F649 HydrophobicContact CB-CZ 4.43Å; M601-L652 HydrophobicContact CE-CD2 4.5Å; M601-L652 HydrophobicContact SD-CD2 3.99Å; M601-I656 HydrophobicContact SD-CD1 4.23Å
602	R	83.1	Confident	78.3	Confident	149 Å²	149	76.4 Å²	76.4	56%	0.562	41%	0.409	S	S	*	.	H	α-helix	trans	-71.6	-35.4	178.9	-164.8	173.8	-175.4	-178.1	1.5	113.2	Y598 K599 K600 R604 D605 A606	Y598-R602 WeakPolarHBondContact O-CB 3.45Å; Y598-R602 PolarHBondContact O-N 2.95Å; K599-R602 PolarHBondContact O-N 3.23Å; K600-R602 PolarHBondContact O-N 3.09Å; R602-R604 VanDerWaalsContact C-N 3.33Å; R602-D605 PolarHBondContact O-N 3.06Å; R602-A606 WeakPolarHBondContact O-CB 3.5Å; R602-A606 PolarHBondContact O-N 3.5Å
603	Q	83.7	Confident	76.7	Confident	106 Å²	106	70.6 Å²	70.6	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-65.5	-38.8	173.7	-77.4	178.9	-24.1	0	0	111.5	K599 K600 D605 A606 S607	K599-Q603 HydrophobicContact CG-CG 4.4Å; K599-Q603 WeakPolarHBondContact O-CB 3.28Å; K599-Q603 VanDerWaalsContact O-CG 3.29Å; K599-Q603 WeakPolarHBondContact O-CG 3.34Å; K599-Q603 PolarHBondContact O-N 3.45Å; K600-Q603 PolarHBondContact O-N 3.15Å; Q603-D605 VanDerWaalsContact C-N 3.31Å; Q603-D605 PolarHBondContact O-N 2.88Å; Q603-A606 PolarHBondContact O-N 3.19Å; Q603-S607 VanDerWaalsContact O-CB 3.31Å; Q603-S607 WeakPolarHBondContact O-CB 3.45Å; Q603-S607 PolarHBondContact O-N 2.97Å
604	R	76.9	Confident	75.7	Confident	114 Å²	114	73.4 Å²	73.4	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-38.8	173.8	-177.3	171.2	166	174.5	-8.8	111.6	K600 M601 R602 S608	K600-R604 WeakPolarHBondContact O-CB 3.07Å; K600-R604 PolarHBondContact O-N 2.87Å; M601-R604 PolarHBondContact O-N 3.45Å; R602-R604 VanDerWaalsContact C-N 3.33Å; R604-S608 WeakPolarHBondContact O-CB 3.34Å; R604-S608 PolarHBondContact O-N 3.33Å
605	D	76.1	Confident	74.7	Confident	42 Å²	42	82.7 Å²	82.7	23%	0.225	43%	0.428	C	S	.	.	H	α-helix	trans	-68.5	-34.8	174.4	-159.9	38.9	0	0	0	112.7	M601 R602 Q603 S612 I616	M601-D605 PolarHBondContact O-N 3.28Å; M601-D605 VanDerWaalsContact O-N 3.15Å; R602-D605 PolarHBondContact O-N 3.06Å; Q603-D605 VanDerWaalsContact C-N 3.31Å; Q603-D605 PolarHBondContact O-N 2.88Å; D605-S612 WeakPolarHBondContact OD1-CB 3.36Å; D605-S612 PolarHBondContact OD1-OG 2.8Å; D605-I616 HydrophobicContact CB-CD1 3.8Å; D605-I616 HydrophobicContact CB-CG1 4.11Å; D605-I616 PolarHBondContact OD2-N 3.13Å
606	A	74.1	Confident	74.1	Confident	88 Å²	88	79.6 Å²	79.6	73%	0.727	41%	0.408	S	S	*	.	H	α-helix	trans	-78.1	-34.1	-179.8	0	0	0	0	0	113.8	R602 Q603	R602-A606 WeakPolarHBondContact O-CB 3.5Å; R602-A606 PolarHBondContact O-N 3.5Å; Q603-A606 PolarHBondContact O-N 3.19Å
607	S	68.6	Low	73.6	Confident	108 Å²	108	77 Å²	77	76%	0.755	40%	0.4	S	S	*	.	H	α-helix	trans	-87.6	-23	-175.6	-170.8	0	0	0	0	113.2	Q603 G609	Q603-S607 VanDerWaalsContact O-CB 3.31Å; Q603-S607 WeakPolarHBondContact O-CB 3.45Å; Q603-S607 PolarHBondContact O-N 2.97Å; S607-G609 PolarHBondContact O-N 3.33Å
608	S	58.7	Low	73.5	Confident	50 Å²	50	80.3 Å²	80.3	35%	0.35	42%	0.421	S	S	.	.			trans	-83.5	102.7	-180	-126.2	0	0	0	0	109.6	R604 T610	R604-S608 WeakPolarHBondContact O-CB 3.34Å; R604-S608 PolarHBondContact O-N 3.33Å; S608-T610 WeakPolarHBondContact CB-OG1 3.46Å; S608-T610 PolarHBondContact O-N 3.33Å; S608-T610 VanDerWaalsContact O-N 3.1Å; S608-T610 PolarHBondContact OG-OG1 2.95Å
609	G	56	Low	73.4	Confident	79 Å²	79	82.4 Å²	82.4	81%	0.814	43%	0.429	S	S	*	.			trans	-57.8	-15.4	164.8	0	0	0	0	0	112.9	S607 K611	S607-G609 PolarHBondContact O-N 3.33Å; G609-K611 PolarHBondContact O-N 3.18Å
610	T	57.1	Low	73.2	Confident	52 Å²	52	76.5 Å²	76.5	32%	0.319	40%	0.403	S	S	.	.	S	Bend	trans	-67	107.5	164.4	58.7	0	0	0	0	109.1	S608 S612	S608-T610 WeakPolarHBondContact CB-OG1 3.46Å; S608-T610 PolarHBondContact O-N 3.33Å; S608-T610 VanDerWaalsContact O-N 3.1Å; S608-T610 PolarHBondContact OG-OG1 2.95Å; T610-S612 PolarHBondContact O-N 2.89Å
611	K	56.8	Low	73.4	Confident	150 Å²	150	73.9 Å²	73.9	65%	0.652	39%	0.394	S	S	*	.			trans	-48.9	104.2	175.2	-68.7	175.1	-178.6	169.9	0	109.5	G609 V659	G609-K611 PolarHBondContact O-N 3.18Å; K611-V659 WeakPolarHBondContact O-CB 3.39Å
612	S	60.4	Low	73.7	Confident	40 Å²	40	77.8 Å²	77.8	28%	0.28	41%	0.412	S	S	.	.			trans	-55.6	146.5	167.9	57.4	0	0	0	0	108.6	D605 T610 W614	D605-S612 WeakPolarHBondContact OD1-CB 3.36Å; D605-S612 PolarHBondContact OD1-OG 2.8Å; T610-S612 PolarHBondContact O-N 2.89Å; S612-W614 PolarHBondContact O-N 3.39Å; S612-W614 PolarHBondContact OG-O 3Å
613	A	60.2	Low	74	Confident	14 Å²	14	70.8 Å²	70.8	12%	0.116	39%	0.386	C	S	.	.	S	Bend	trans	-58.8	-23.4	-176.6	0	0	0	0	0	112.5	L514 V659	L514-A613 HydrophobicContact CB-CB 4.03Å; A613-V659 HydrophobicContact CB-CG2 3.66Å
614	W	68.7	Low	74.4	Confident	63 Å²	63	65.8 Å²	65.8	24%	0.239	36%	0.362	C	S	.	.	S	Bend	trans	-156.4	147.9	-179.2	178.1	54.6	0	0	0	112	S612 Q620	S612-W614 PolarHBondContact O-N 3.39Å; S612-W614 PolarHBondContact OG-O 3Å; W614-Q620 HydrophobicContact CH2-CG 3.82Å; W614-Q620 VanDerWaalsContact CH2-NE2 3.26Å; W614-Q620 HydrophobicContact CZ3-CG 3.71Å; W614-Q620 VanDerWaalsContact CZ3-NE2 3.27Å
615	R	71.2	Confident	75.1	Confident	205 Å²	205	61.9 Å²	61.9	77%	0.774	35%	0.351	S	S	*	.			trans	-73.2	132.4	179.4	-68.8	-176.3	179.7	169.2	-0.8	111.1	T617	R615-T617 PolarHBondContact O-N 3.27Å
616	I	77.8	Confident	75.8	Confident	25 Å²	25	61.2 Å²	61.2	13%	0.128	35%	0.345	C	S	.	.			trans	-79.5	124	179.7	-55.9	-173.3	0	0	0	109.9	M601 D605 Q620	M601-I616 HydrophobicContact CE-CG2 3.5Å; M601-I616 HydrophobicContact CG-CD1 3.4Å; M601-I616 VanDerWaalsContact CG-CD1 3.4Å; M601-I616 HydrophobicContact CG-CG2 4.08Å; M601-I616 HydrophobicContact SD-CD1 4.12Å; M601-I616 HydrophobicContact SD-CG2 4.03Å; D605-I616 HydrophobicContact CB-CD1 3.8Å; D605-I616 HydrophobicContact CB-CG1 4.11Å; D605-I616 PolarHBondContact OD2-N 3.13Å; I616-Q620 HydrophobicContact CG2-CB 4.46Å
617	T	82.5	Confident	76.7	Confident	50 Å²	50	57 Å²	57	31%	0.307	31%	0.311	S	S	.	.			trans	-121.2	170.1	-177.6	64.2	0	0	0	0	111.6	R615 R619 Q620	R615-T617 PolarHBondContact O-N 3.27Å; T617-R619 PolarHBondContact O-N 3Å; T617-R619 VanDerWaalsContact O-N 3.12Å; T617-Q620 WeakPolarHBondContact O-CB 3.19Å; T617-Q620 PolarHBondContact O-N 2.83Å
618	V	86.2	Confident	77.9	Confident	88 Å²	88	51.9 Å²	51.9	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-27.7	176.5	-178.4	0	0	0	0	112.3	Q620 L621 E622	V618-Q620 PolarHBondContact O-N 3Å; V618-L621 WeakPolarHBondContact O-CA 3.37Å; V618-L621 VanDerWaalsContact O-CB 3.25Å; V618-L621 WeakPolarHBondContact O-CB 3.45Å; V618-L621 PolarHBondContact O-N 2.96Å; V618-E622 PolarHBondContact O-N 2.69Å
619	R	85.6	Confident	79.5	Confident	74 Å²	74	49.6 Å²	49.6	28%	0.279	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-29.7	176.8	-66.1	-178.6	-173.6	168.7	-4	112.9	S526 R527 T617 L621 E622 S623	S526-R619 VanDerWaalsContact CB-NH1 3.26Å; S526-R619 VanDerWaalsContact OG-CD 3.23Å; S526-R619 WeakPolarHBondContact OG-CD 3.44Å; S526-R619 PolarHBondContact OG-NH1 3.04Å; R527-R619 VanDerWaalsContact NH1-NE 3.18Å; T617-R619 PolarHBondContact O-N 3Å; T617-R619 VanDerWaalsContact O-N 3.12Å; R619-L621 VanDerWaalsContact C-N 3.29Å; R619-L621 PolarHBondContact O-N 2.94Å; R619-E622 WeakPolarHBondContact O-CB 3.38Å; R619-E622 PolarHBondContact O-N 2.93Å; R619-S623 PolarHBondContact O-N 3.28Å; R619-S623 PolarHBondContact O-OG 3.06Å
620	Q	85.9	Confident	81.2	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-28.7	175.5	-64.2	-61.7	-69.2	0	0	112.5	M601 W614 I616 T617 V618 S623 L624	M601-Q620 HydrophobicContact CE-CB 4Å; W614-Q620 HydrophobicContact CH2-CG 3.82Å; W614-Q620 VanDerWaalsContact CH2-NE2 3.26Å; W614-Q620 HydrophobicContact CZ3-CG 3.71Å; W614-Q620 VanDerWaalsContact CZ3-NE2 3.27Å; I616-Q620 HydrophobicContact CG2-CB 4.46Å; T617-Q620 WeakPolarHBondContact O-CB 3.19Å; T617-Q620 PolarHBondContact O-N 2.83Å; V618-Q620 PolarHBondContact O-N 3Å; Q620-S623 PolarHBondContact O-N 3.28Å; Q620-L624 WeakPolarHBondContact O-CB 3.25Å; Q620-L624 PolarHBondContact O-N 3.17Å
621	L	89.8	Confident	82.8	Confident	46 Å²	46	43.4 Å²	43.4	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-41.8	170.3	-179.1	63.8	0	0	0	110.5	Y598 V618 R619 S623 L624 V625	Y598-L621 HydrophobicContact CD1-CD2 4.49Å; Y598-L621 HydrophobicContact CD2-CB 3.87Å; Y598-L621 HydrophobicContact CD2-CD1 4.2Å; Y598-L621 HydrophobicContact CD2-CG 4.48Å; Y598-L621 HydrophobicContact CE2-CB 3.96Å; Y598-L621 HydrophobicContact CG-CB 4.43Å; Y598-L621 HydrophobicContact CG-CD1 4.07Å; V618-L621 WeakPolarHBondContact O-CA 3.37Å; V618-L621 VanDerWaalsContact O-CB 3.25Å; V618-L621 WeakPolarHBondContact O-CB 3.45Å; V618-L621 PolarHBondContact O-N 2.96Å; R619-L621 VanDerWaalsContact C-N 3.29Å; R619-L621 PolarHBondContact O-N 2.94Å; L621-S623 VanDerWaalsContact C-N 3.34Å; L621-S623 PolarHBondContact O-N 3.04Å; L621-L624 WeakPolarHBondContact O-CB 3.4Å; L621-L624 PolarHBondContact O-N 3.06Å; L621-V625 WeakPolarHBondContact O-CG2 3.09Å; L621-V625 PolarHBondContact O-N 2.99Å
622	E	88.6	Confident	84.4	Confident	85 Å²	85	36.2 Å²	36.2	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-42.9	174	-61.7	176.3	-175.8	0	0	111.6	V618 R619 L624 V625 R626	V618-E622 PolarHBondContact O-N 2.69Å; R619-E622 WeakPolarHBondContact O-CB 3.38Å; R619-E622 PolarHBondContact O-N 2.93Å; E622-L624 PolarHBondContact O-N 2.93Å; E622-V625 PolarHBondContact O-N 3.18Å; E622-R626 WeakPolarHBondContact O-CG 3.44Å; E622-R626 PolarHBondContact O-N 3.16Å; E622-R626 IonicContact OE2-NH2 2.76Å
623	S	89	Confident	85.8	Confident	2 Å²	2	35 Å²	35	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-43.4	174	-56.3	0	0	0	0	111.9	D529 R619 Q620 L621 V625 R626 L627	D529-S623 VanDerWaalsContact OD1-CB 3.3Å; D529-S623 WeakPolarHBondContact OD1-CB 3.38Å; D529-S623 PolarHBondContact OD1-OG 3.28Å; R619-S623 PolarHBondContact O-N 3.28Å; R619-S623 PolarHBondContact O-OG 3.06Å; Q620-S623 PolarHBondContact O-N 3.28Å; L621-S623 VanDerWaalsContact C-N 3.34Å; L621-S623 PolarHBondContact O-N 3.04Å; S623-V625 VanDerWaalsContact C-N 3.33Å; S623-V625 PolarHBondContact O-N 3.28Å; S623-R626 PolarHBondContact O-N 3.24Å; S623-L627 WeakPolarHBondContact O-CB 3.25Å; S623-L627 VanDerWaalsContact O-CG 3.29Å; S623-L627 WeakPolarHBondContact O-CG 3.42Å; S623-L627 PolarHBondContact O-N 2.76Å
624	L	91.4	Very high	87.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-42.8	176.4	-177	65.4	0	0	0	111.5	M594 Q620 L621 E622 L627 S628 A648 F649	M594-L624 HydrophobicContact CB-CD2 4.49Å; M594-L624 HydrophobicContact CG-CD2 4.29Å; Q620-L624 WeakPolarHBondContact O-CB 3.25Å; Q620-L624 PolarHBondContact O-N 3.17Å; L621-L624 WeakPolarHBondContact O-CB 3.4Å; L621-L624 PolarHBondContact O-N 3.06Å; E622-L624 PolarHBondContact O-N 2.93Å; L624-L627 PolarHBondContact O-N 3.47Å; L624-S628 WeakPolarHBondContact O-CB 3.37Å; L624-S628 PolarHBondContact O-N 3.1Å; L624-S628 PolarHBondContact O-OG 3.26Å; L624-A648 HydrophobicContact CD1-CB 4.04Å; L624-F649 HydrophobicContact CD1-CB 4.1Å
625	V	92.1	Very high	88.2	Confident	32 Å²	32	33.8 Å²	33.8	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-51.1	175.4	173	0	0	0	0	110.2	I586 M594 L621 E622 S623 L627 S628 E629	I586-V625 HydrophobicContact CD1-CG1 3.96Å; M594-V625 HydrophobicContact SD-CG2 3.82Å; L621-V625 WeakPolarHBondContact O-CG2 3.09Å; L621-V625 PolarHBondContact O-N 2.99Å; E622-V625 PolarHBondContact O-N 3.18Å; S623-V625 VanDerWaalsContact C-N 3.33Å; S623-V625 PolarHBondContact O-N 3.28Å; V625-L627 PolarHBondContact O-N 3.4Å; V625-S628 PolarHBondContact O-N 3.47Å; V625-S628 PolarHBondContact O-OG 3.32Å; V625-E629 WeakPolarHBondContact O-CG 3.25Å; V625-E629 PolarHBondContact O-N 2.98Å
626	R	91.9	Very high	88.9	Confident	28 Å²	28	25.1 Å²	25.1	11%	0.106	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-42.3	178.8	-68.1	175.7	-170.1	136.8	10.5	112.7	R385 L388 D529 E622 S623 E629 A630	R385-R626 PolarHBondContact O-NE 3.35Å; R385-R626 PolarHBondContact O-NH2 3.04Å; L388-R626 HydrophobicContact CD2-CB 3.63Å; L388-R626 HydrophobicContact CG-CB 4.35Å; D529-R626 IonicContact OD1-NH1 2.65Å; D529-R626 PolarHBondContact OD1-NH1 3.26Å; E622-R626 WeakPolarHBondContact O-CG 3.44Å; E622-R626 PolarHBondContact O-N 3.16Å; E622-R626 IonicContact OE2-NH2 2.76Å; S623-R626 PolarHBondContact O-N 3.24Å; R626-E629 PolarHBondContact O-N 2.84Å; R626-A630 WeakPolarHBondContact O-CB 3.35Å; R626-A630 PolarHBondContact O-N 3.23Å
627	L	92.6	Very high	89.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-41.9	177	-72.4	168.6	0	0	0	111.4	L368 L388 L530 S623 L624 V625 E629 A630 T631 A648 L652	L368-L627 HydrophobicContact CB-CD2 4.48Å; L368-L627 HydrophobicContact CD1-CD2 4.03Å; L388-L627 HydrophobicContact CD1-CD2 3.67Å; L388-L627 HydrophobicContact CD1-CG 4.46Å; L388-L627 HydrophobicContact CD2-CD2 3.78Å; L388-L627 HydrophobicContact CD2-CG 3.85Å; L388-L627 HydrophobicContact CG-CD2 4.36Å; L530-L627 HydrophobicContact CD1-CD2 3.87Å; L530-L627 HydrophobicContact CD2-CD1 3.92Å; L530-L627 HydrophobicContact CG-CD1 4.31Å; L530-L627 HydrophobicContact CG-CD2 4.32Å; S623-L627 WeakPolarHBondContact O-CB 3.25Å; S623-L627 VanDerWaalsContact O-CG 3.29Å; S623-L627 WeakPolarHBondContact O-CG 3.42Å; S623-L627 PolarHBondContact O-N 2.76Å; L624-L627 PolarHBondContact O-N 3.47Å; V625-L627 PolarHBondContact O-N 3.4Å; L627-E629 VanDerWaalsContact C-N 3.32Å; L627-E629 PolarHBondContact O-N 2.96Å; L627-A630 PolarHBondContact O-N 3.44Å; L627-T631 VanDerWaalsContact O-CG2 3.32Å; L627-T631 WeakPolarHBondContact O-CG2 3.4Å; L627-T631 PolarHBondContact O-N 2.82Å; L627-T631 PolarHBondContact O-OG1 2.98Å; L627-T631 VanDerWaalsContact O-OG1 3.11Å; L627-A648 HydrophobicContact CB-CB 3.82Å; L627-L652 HydrophobicContact CD1-CD1 4.35Å
628	S	93	Very high	89.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-36.2	176.6	74.2	0	0	0	0	112.4	L624 V625 T631 A632	L624-S628 WeakPolarHBondContact O-CB 3.37Å; L624-S628 PolarHBondContact O-N 3.1Å; L624-S628 PolarHBondContact O-OG 3.26Å; V625-S628 PolarHBondContact O-N 3.47Å; V625-S628 PolarHBondContact O-OG 3.32Å; S628-T631 WeakPolarHBondContact CA-OG1 3.49Å; S628-T631 PolarHBondContact O-OG1 3.22Å; S628-A632 WeakPolarHBondContact O-CB 3.32Å; S628-A632 PolarHBondContact O-N 3.46Å; S628-A632 VanDerWaalsContact O-N 3.08Å
629	E	92.4	Very high	89.8	Confident	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-41.5	172.9	-70.8	175.1	176.9	0	0	111.9	V374 K376 P584 V625 R626 L627 A632 R633 V640	V374-E629 WeakPolarHBondContact CB-OE2 3.44Å; V374-E629 HydrophobicContact CG2-CB 4.28Å; V374-E629 HydrophobicContact CG2-CG 4.39Å; V374-E629 PolarHBondContact N-OE2 2.82Å; K376-E629 VanDerWaalsContact CE-OE1 3.3Å; K376-E629 WeakPolarHBondContact CE-OE1 3.3Å; K376-E629 IonicContact NZ-OE1 2.83Å; K376-E629 PolarHBondContact NZ-OE1 3.47Å; P584-E629 HydrophobicContact CG-CB 4.24Å; V625-E629 WeakPolarHBondContact O-CG 3.25Å; V625-E629 PolarHBondContact O-N 2.98Å; R626-E629 PolarHBondContact O-N 2.84Å; L627-E629 VanDerWaalsContact C-N 3.32Å; L627-E629 PolarHBondContact O-N 2.96Å; E629-A632 PolarHBondContact O-N 2.97Å; E629-R633 WeakPolarHBondContact O-CG 3.06Å; E629-R633 PolarHBondContact O-N 3.23Å; E629-V640 HydrophobicContact CG-CG2 4.37Å
630	A	91.5	Very high	90.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-41.4	177.9	0	0	0	0	0	112.2	L368 L388 R626 L627 R633 L634	L368-A630 HydrophobicContact CB-CB 4.48Å; L368-A630 HydrophobicContact CD2-CB 4.4Å; L388-A630 HydrophobicContact CD1-CB 3.85Å; R626-A630 WeakPolarHBondContact O-CB 3.35Å; R626-A630 PolarHBondContact O-N 3.23Å; L627-A630 PolarHBondContact O-N 3.44Å; A630-R633 WeakPolarHBondContact O-CB 3.25Å; A630-R633 PolarHBondContact O-N 3.36Å; A630-L634 PolarHBondContact O-N 3.38Å
631	T	91.3	Very high	90.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-41	173.3	54.5	0	0	0	0	111.6	L368 L627 S628 R633 L634 H635	L368-T631 HydrophobicContact CD1-CG2 3.87Å; L368-T631 HydrophobicContact CD2-CG2 3.53Å; L368-T631 HydrophobicContact CG-CG2 4.37Å; L627-T631 VanDerWaalsContact O-CG2 3.32Å; L627-T631 WeakPolarHBondContact O-CG2 3.4Å; L627-T631 PolarHBondContact O-N 2.82Å; L627-T631 PolarHBondContact O-OG1 2.98Å; L627-T631 VanDerWaalsContact O-OG1 3.11Å; S628-T631 WeakPolarHBondContact CA-OG1 3.49Å; S628-T631 PolarHBondContact O-OG1 3.22Å; T631-R633 PolarHBondContact O-N 3.1Å; T631-L634 WeakPolarHBondContact O-CB 3.13Å; T631-L634 PolarHBondContact O-N 3.13Å; T631-H635 PolarHBondContact O-CD2 3.04Å; T631-H635 VanDerWaalsContact O-CD2 3.3Å; T631-H635 PolarHBondContact O-N 3.24Å
632	A	91.3	Very high	90.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-40.9	175.3	0	0	0	0	0	112.2	P584 S628 E629 H635 C636 A637 V640 H644	P584-A632 HydrophobicContact CB-CB 3.88Å; P584-A632 HydrophobicContact CG-CB 4.11Å; S628-A632 WeakPolarHBondContact O-CB 3.32Å; S628-A632 PolarHBondContact O-N 3.46Å; S628-A632 VanDerWaalsContact O-N 3.08Å; E629-A632 PolarHBondContact O-N 2.97Å; A632-H635 PolarHBondContact O-N 3.35Å; A632-C636 PolarHBondContact O-N 3.08Å; A632-A637 PolarHBondContact O-N 3.05Å; A632-V640 HydrophobicContact CB-CG2 4.03Å; A632-H644 WeakPolarHBondContact CB-ND1 3.46Å
633	R	89.9	Confident	90.8	Very high	13 Å²	13	28.7 Å²	28.7	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-42.1	172.7	-80.2	175.8	165.1	-177	-1.9	112.6	G372 G373 A579 F582 P584 E629 A630 T631 H635 C636	G372-R633 VanDerWaalsContact O-CD 3.25Å; G372-R633 WeakPolarHBondContact O-CD 3.48Å; G372-R633 PolarHBondContact O-NH1 3.42Å; G373-R633 PolarHBondContact O-NH1 3.29Å; A579-R633 WeakPolarHBondContact CB-O 3.29Å; F582-R633 PolarHBondContact O-NE 3.22Å; F582-R633 PolarHBondContact O-NH2 2.79Å; P584-R633 HydrophobicContact CG-CG 3.98Å; E629-R633 WeakPolarHBondContact O-CG 3.06Å; E629-R633 PolarHBondContact O-N 3.23Å; A630-R633 WeakPolarHBondContact O-CB 3.25Å; A630-R633 PolarHBondContact O-N 3.36Å; T631-R633 PolarHBondContact O-N 3.1Å; R633-H635 PolarHBondContact O-N 3.44Å; R633-C636 PolarHBondContact O-N 3.32Å
634	L	89.6	Confident	90.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-32.8	177.5	-175.5	73	0	0	0	111.8	L344 L345 M348 L367 Y575 A630 T631 C636	L344-L634 HydrophobicContact CD2-CG 4.46Å; L344-L634 WeakPolarHBondContact CD2-O 3.5Å; L345-L634 HydrophobicContact CB-CD2 4.01Å; L345-L634 HydrophobicContact CD1-CD2 3.62Å; L345-L634 HydrophobicContact CG-CD2 3.97Å; M348-L634 HydrophobicContact CE-CD1 4.18Å; M348-L634 HydrophobicContact SD-CD1 3.83Å; L367-L634 HydrophobicContact CD2-CD1 4.09Å; L367-L634 HydrophobicContact CD2-CD2 3.97Å; L367-L634 HydrophobicContact CG-CD1 4.25Å; Y575-L634 HydrophobicContact CE1-CD1 4.36Å; Y575-L634 WeakPolarHBondContact CE1-O 3.43Å; Y575-L634 PolarHBondContact OH-O 3.19Å; A630-L634 PolarHBondContact O-N 3.38Å; T631-L634 WeakPolarHBondContact O-CB 3.13Å; T631-L634 PolarHBondContact O-N 3.13Å; L634-C636 VanDerWaalsContact C-N 3.3Å
635	H	88.6	Confident	91	Very high	52 Å²	52	29.4 Å²	29.4	24%	0.241	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6.3	175.2	-72.2	-66.2	0	0	0	114	T631 A632 R633 A637 H644	T631-H635 PolarHBondContact O-CD2 3.04Å; T631-H635 VanDerWaalsContact O-CD2 3.3Å; T631-H635 PolarHBondContact O-N 3.24Å; A632-H635 PolarHBondContact O-N 3.35Å; R633-H635 PolarHBondContact O-N 3.44Å; H635-A637 PolarHBondContact O-N 3.14Å; H635-H644 AromaticContact CD2-NE2 3.98Å
636	C	85.5	Confident	91	Very high	24 Å²	24	32.2 Å²	32.2	16%	0.162	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.9	-172.4	-61.2	0	0	0	0	113	Y575 F582 A632 R633 L634	Y575-C636 PolarHBondContact OH-SG 3.46Å; F582-C636 HydrophobicContact CD2-CB 4.36Å; F582-C636 HydrophobicContact CE2-CB 3.96Å; F582-C636 HydrophobicContact CZ-CB 4.34Å; A632-C636 PolarHBondContact O-N 3.08Å; R633-C636 PolarHBondContact O-N 3.32Å; L634-C636 VanDerWaalsContact C-N 3.3Å
637	A	86.5	Confident	90.8	Very high	23 Å²	23	33.5 Å²	33.5	19%	0.19	18%	0.179	C	C	.	.			trans	-95.8	134.1	179.6	0	0	0	0	0	111.2	A632 H635 T639	A632-A637 PolarHBondContact O-N 3.05Å; H635-A637 PolarHBondContact O-N 3.14Å; A637-T639 VanDerWaalsContact C-N 3.26Å; A637-T639 PolarHBondContact O-N 3.41Å
638	D	88.2	Confident	90.7	Very high	103 Å²	103	33.5 Å²	33.5	55%	0.551	18%	0.179	S	C	*	.	S	Bend	trans	-76.4	-12.5	175.8	-73.3	-29.5	0	0	0	113.5	F582 P584 K585	F582-D638 WeakPolarHBondContact CD1-OD1 3.49Å; P584-D638 CarbonylContact C-O 3.48Å; P584-D638 VanDerWaalsContact CA-O 3.27Å; P584-D638 WeakPolarHBondContact CA-O 3.3Å; K585-D638 PolarHBondContact N-O 3.27Å
639	T	92.1	Very high	90.5	Very high	78 Å²	78	34.8 Å²	34.8	48%	0.479	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.5	-179.7	58.4	0	0	0	0	111.7	K585 A637 T641	K585-T639 CarbonylContact O-C 3.49Å; K585-T639 VanDerWaalsContact O-CA 3.3Å; K585-T639 WeakPolarHBondContact O-CA 3.32Å; A637-T639 VanDerWaalsContact C-N 3.26Å; A637-T639 PolarHBondContact O-N 3.41Å; T639-T641 PolarHBondContact O-N 3.05Å
640	V	92.7	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.6	172.7	-175	0	0	0	0	108.3	P584 K585 I586 S587 A590 E629 A632 H644 V645	P584-V640 HydrophobicContact CB-CG2 4.1Å; K585-V640 PolarHBondContact O-N 2.93Å; I586-V640 HydrophobicContact CG1-CG2 4.26Å; S587-V640 WeakPolarHBondContact CB-O 3.27Å; S587-V640 PolarHBondContact OG-O 2.83Å; A590-V640 HydrophobicContact CB-CG1 4.27Å; A590-V640 WeakPolarHBondContact CB-O 3.45Å; E629-V640 HydrophobicContact CG-CG2 4.37Å; A632-V640 HydrophobicContact CB-CG2 4.03Å; V640-H644 HydrophobicContact CG1-CB 4.21Å; V640-V645 HydrophobicContact CG1-CG2 4.03Å
641	T	92.1	Very high	90.1	Very high	52 Å²	52	36.9 Å²	36.9	32%	0.319	20%	0.202	S	C	.	.			trans	-95	165.5	177.4	69.2	0	0	0	0	111	T639 V643 H644 V645	T639-T641 PolarHBondContact O-N 3.05Å; T641-V643 PolarHBondContact O-N 3.43Å; T641-H644 PolarHBondContact N-ND1 2.75Å; T641-H644 WeakPolarHBondContact O-CB 3.5Å; T641-H644 PolarHBondContact O-N 2.82Å; T641-H644 PolarHBondContact OG1-CD2 3.39Å; T641-H644 VanDerWaalsContact OG1-CD2 3.28Å; T641-H644 PolarHBondContact OG1-CE1 3.35Å; T641-H644 PolarHBondContact OG1-ND1 3.37Å; T641-H644 PolarHBondContact OG1-NE2 2.92Å; T641-V645 PolarHBondContact O-N 2.8Å
642	K	93	Very high	89.9	Confident	100 Å²	100	36.9 Å²	36.9	44%	0.435	20%	0.202	S	C	.	.	H	α-helix	trans	-58.1	-34.5	174.2	-175.2	174	-177.6	172	0	113	C593 H644 V645 Q646	C593-K642 HydrophobicContact CB-CG 4.24Å; K642-H644 VanDerWaalsContact C-N 3.33Å; K642-H644 PolarHBondContact O-N 3.37Å; K642-V645 PolarHBondContact O-N 2.75Å; K642-Q646 HydrophobicContact CG-CG 4.42Å; K642-Q646 WeakPolarHBondContact O-CG 3.35Å; K642-Q646 PolarHBondContact O-N 2.96Å
643	V	91.6	Very high	89.6	Confident	92 Å²	92	38.6 Å²	38.6	56%	0.558	21%	0.211	S	C	*	.	H	α-helix	trans	-63.2	-42.5	-179.7	-178.6	0	0	0	0	110.6	T641 V645 Q646 E647	T641-V643 PolarHBondContact O-N 3.43Å; V643-V645 VanDerWaalsContact C-N 3.33Å; V643-V645 PolarHBondContact O-N 3Å; V643-Q646 PolarHBondContact O-N 2.79Å; V643-E647 PolarHBondContact O-N 3.21Å
644	H	91.8	Very high	89.1	Confident	18 Å²	18	43.5 Å²	43.5	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-42.4	177.7	-57.2	167.6	0	0	0	111.3	A632 H635 V640 T641 K642 E647 A648	A632-H644 WeakPolarHBondContact CB-ND1 3.46Å; H635-H644 AromaticContact CD2-NE2 3.98Å; V640-H644 HydrophobicContact CG1-CB 4.21Å; T641-H644 PolarHBondContact N-ND1 2.75Å; T641-H644 WeakPolarHBondContact O-CB 3.5Å; T641-H644 PolarHBondContact O-N 2.82Å; T641-H644 PolarHBondContact OG1-CD2 3.39Å; T641-H644 VanDerWaalsContact OG1-CD2 3.28Å; T641-H644 PolarHBondContact OG1-CE1 3.35Å; T641-H644 PolarHBondContact OG1-ND1 3.37Å; T641-H644 PolarHBondContact OG1-NE2 2.92Å; K642-H644 VanDerWaalsContact C-N 3.33Å; K642-H644 PolarHBondContact O-N 3.37Å; H644-E647 PolarHBondContact O-N 3.43Å; H644-A648 VanDerWaalsContact O-CB 3.32Å; H644-A648 WeakPolarHBondContact O-CB 3.29Å; H644-A648 PolarHBondContact O-N 3.39Å
645	V	93	Very high	88.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-43.5	176.9	177.5	0	0	0	0	111.3	A590 M594 V640 T641 K642 V643 A648 F649	A590-V645 HydrophobicContact CB-CG2 3.97Å; M594-V645 HydrophobicContact CB-CG1 4.5Å; M594-V645 HydrophobicContact CG-CB 4.37Å; M594-V645 HydrophobicContact CG-CG1 3.52Å; M594-V645 HydrophobicContact CG-CG2 3.85Å; M594-V645 HydrophobicContact SD-CG2 4.34Å; V640-V645 HydrophobicContact CG1-CG2 4.03Å; T641-V645 PolarHBondContact O-N 2.8Å; K642-V645 PolarHBondContact O-N 2.75Å; V643-V645 VanDerWaalsContact C-N 3.33Å; V643-V645 PolarHBondContact O-N 3Å; V645-A648 PolarHBondContact O-N 2.97Å; V645-F649 VanDerWaalsContact O-CB 3.25Å; V645-F649 WeakPolarHBondContact O-CB 3.27Å; V645-F649 PolarHBondContact O-N 3.47Å
646	Q	91.6	Very high	87.5	Confident	91 Å²	91	43.7 Å²	43.7	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-40.3	178.9	-73.2	178.5	-20.4	0	0	112.3	K642 V643 F649 A650	K642-Q646 HydrophobicContact CG-CG 4.42Å; K642-Q646 WeakPolarHBondContact O-CG 3.35Å; K642-Q646 PolarHBondContact O-N 2.96Å; V643-Q646 PolarHBondContact O-N 2.79Å; Q646-F649 PolarHBondContact O-N 3.07Å; Q646-A650 WeakPolarHBondContact O-CB 3.29Å; Q646-A650 PolarHBondContact O-N 3.05Å
647	E	87.7	Confident	86.5	Confident	55 Å²	55	44.9 Å²	44.9	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-67.3	-45	175.9	-176.2	166.2	-165.7	0	0	111.7	V643 H644 F649 A650 L651	V643-E647 PolarHBondContact O-N 3.21Å; H644-E647 PolarHBondContact O-N 3.43Å; E647-F649 VanDerWaalsContact C-N 3.3Å; E647-F649 PolarHBondContact O-N 3.45Å; E647-A650 PolarHBondContact O-N 3.43Å; E647-L651 WeakPolarHBondContact O-CG 3.25Å; E647-L651 PolarHBondContact O-N 3.04Å
648	A	90.5	Very high	85	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-42	174.4	0	0	0	0	0	111.8	L624 L627 H644 V645 L651 L652	L624-A648 HydrophobicContact CD1-CB 4.04Å; L627-A648 HydrophobicContact CB-CB 3.82Å; H644-A648 VanDerWaalsContact O-CB 3.32Å; H644-A648 WeakPolarHBondContact O-CB 3.29Å; H644-A648 PolarHBondContact O-N 3.39Å; V645-A648 PolarHBondContact O-N 2.97Å; A648-L651 PolarHBondContact O-N 3.24Å; A648-L652 WeakPolarHBondContact O-CB 3.47Å; A648-L652 PolarHBondContact O-N 3.13Å
649	F	90.3	Very high	83.2	Confident	26 Å²	26	46.4 Å²	46.4	11%	0.114	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-38.8	176.7	-177.2	-113.9	0	0	0	112.6	E597 M601 L624 V645 Q646 E647 L651 L652 N653	E597-F649 HydrophobicContact CB-CD1 4.31Å; E597-F649 HydrophobicContact CB-CD2 3.89Å; E597-F649 HydrophobicContact CB-CE1 4.32Å; E597-F649 HydrophobicContact CB-CE2 3.93Å; E597-F649 HydrophobicContact CB-CG 4.08Å; E597-F649 HydrophobicContact CB-CZ 4.12Å; E597-F649 HydrophobicContact CG-CD1 4.13Å; E597-F649 HydrophobicContact CG-CE1 4.34Å; E597-F649 HydrophobicContact CG-CG 4.2Å; E597-F649 WeakPolarHBondContact OE2-CD1 3.34Å; E597-F649 WeakPolarHBondContact OE2-CE1 3.48Å; E597-F649 WeakPolarHBondContact OE2-CZ 3.49Å; M601-F649 HydrophobicContact CB-CE2 4.06Å; M601-F649 HydrophobicContact CB-CZ 4.43Å; L624-F649 HydrophobicContact CD1-CB 4.1Å; V645-F649 VanDerWaalsContact O-CB 3.25Å; V645-F649 WeakPolarHBondContact O-CB 3.27Å; V645-F649 PolarHBondContact O-N 3.47Å; Q646-F649 PolarHBondContact O-N 3.07Å; E647-F649 VanDerWaalsContact C-N 3.3Å; E647-F649 PolarHBondContact O-N 3.45Å; F649-L651 VanDerWaalsContact C-N 3.34Å; F649-L652 PolarHBondContact O-N 3.08Å; F649-N653 WeakPolarHBondContact CD1-ND2 3.29Å; F649-N653 WeakPolarHBondContact CE1-ND2 3.37Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.36Å; F649-N653 WeakPolarHBondContact O-CB 3.4Å; F649-N653 PolarHBondContact O-N 3.27Å; F649-N653 PolarHBondContact O-ND2 2.87Å
650	A	88.7	Confident	81.1	Confident	44 Å²	44	48.7 Å²	48.7	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-42.2	175.2	0	0	0	0	0	111.4	Q646 E647 K654	Q646-A650 WeakPolarHBondContact O-CB 3.29Å; Q646-A650 PolarHBondContact O-N 3.05Å; E647-A650 PolarHBondContact O-N 3.43Å; A650-K654 VanDerWaalsContact O-CG 3.3Å; A650-K654 WeakPolarHBondContact O-CG 3.47Å; A650-K654 PolarHBondContact O-N 2.97Å; A650-K654 VanDerWaalsContact O-N 3.1Å
651	L	86.7	Confident	79.1	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-45.1	174.1	-71.3	172.4	0	0	0	111.7	E361 K364 L368 E647 A648 F649 N653 K654 S655	E361-L651 VanDerWaalsContact OE2-CD2 3.26Å; E361-L651 WeakPolarHBondContact OE2-CD2 3.22Å; K364-L651 HydrophobicContact CB-CD2 4.13Å; K364-L651 HydrophobicContact CD-CD2 4.09Å; L368-L651 HydrophobicContact CD1-CD1 3.54Å; E647-L651 WeakPolarHBondContact O-CG 3.25Å; E647-L651 PolarHBondContact O-N 3.04Å; A648-L651 PolarHBondContact O-N 3.24Å; F649-L651 VanDerWaalsContact C-N 3.34Å; L651-N653 PolarHBondContact O-N 2.93Å; L651-K654 PolarHBondContact O-N 3.37Å; L651-S655 PolarHBondContact O-N 2.8Å
652	L	86.7	Confident	77	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-45	178.4	-167.3	71.6	0	0	0	111.6	L530 M601 L627 A648 F649 K654 S655 I656	L530-L652 HydrophobicContact CD2-CD1 4.29Å; M601-L652 HydrophobicContact CE-CD2 4.5Å; M601-L652 HydrophobicContact SD-CD2 3.99Å; L627-L652 HydrophobicContact CD1-CD1 4.35Å; A648-L652 WeakPolarHBondContact O-CB 3.47Å; A648-L652 PolarHBondContact O-N 3.13Å; F649-L652 PolarHBondContact O-N 3.08Å; L652-K654 VanDerWaalsContact C-N 3.33Å; L652-K654 PolarHBondContact O-N 2.99Å; L652-S655 WeakPolarHBondContact O-CB 3.38Å; L652-S655 PolarHBondContact O-N 3.49Å; L652-S655 VanDerWaalsContact O-N 3.14Å; L652-S655 PolarHBondContact O-OG 2.73Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 2.77Å
653	N	83.9	Confident	74.9	Confident	35 Å²	35	50.9 Å²	50.9	19%	0.187	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-35.5	177.5	-79.6	-42.4	0	0	0	113.4	F649 L651 S655 I656	F649-N653 WeakPolarHBondContact CD1-ND2 3.29Å; F649-N653 WeakPolarHBondContact CE1-ND2 3.37Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.36Å; F649-N653 WeakPolarHBondContact O-CB 3.4Å; F649-N653 PolarHBondContact O-N 3.27Å; F649-N653 PolarHBondContact O-ND2 2.87Å; L651-N653 PolarHBondContact O-N 2.93Å; N653-S655 VanDerWaalsContact C-N 3.27Å; N653-I656 PolarHBondContact O-N 3.31Å
654	K	81.1	Confident	73	Confident	117 Å²	117	46.7 Å²	46.7	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-69.3	-28.9	175.5	-74.3	176.8	179.7	178.9	0	112.1	E361 A650 L651 L652 I656	E361-K654 VanDerWaalsContact CD-CD 3.5Å; E361-K654 HydrophobicContact CG-CD 3.97Å; E361-K654 WeakPolarHBondContact OE1-CD 3.44Å; E361-K654 IonicContact OE1-NZ 3Å; E361-K654 PolarHBondContact OE1-NZ 3.5Å; E361-K654 IonicContact OE2-NZ 4Å; A650-K654 VanDerWaalsContact O-CG 3.3Å; A650-K654 WeakPolarHBondContact O-CG 3.47Å; A650-K654 PolarHBondContact O-N 2.97Å; A650-K654 VanDerWaalsContact O-N 3.1Å; L651-K654 PolarHBondContact O-N 3.37Å; L652-K654 VanDerWaalsContact C-N 3.33Å; L652-K654 PolarHBondContact O-N 2.99Å; K654-I656 VanDerWaalsContact C-N 3.33Å
655	S	75.3	Confident	71.1	Confident	11 Å²	11	48.8 Å²	48.8	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-30.3	174.6	83.5	0	0	0	0	112.7	F531 L651 L652 N653 I657	F531-S655 VanDerWaalsContact O-CA 3.3Å; F531-S655 WeakPolarHBondContact O-CA 3.48Å; F531-S655 WeakPolarHBondContact O-CB 3.44Å; L651-S655 PolarHBondContact O-N 2.8Å; L652-S655 WeakPolarHBondContact O-CB 3.38Å; L652-S655 PolarHBondContact O-N 3.49Å; L652-S655 VanDerWaalsContact O-N 3.14Å; L652-S655 PolarHBondContact O-OG 2.73Å; N653-S655 VanDerWaalsContact C-N 3.27Å; S655-I657 PolarHBondContact O-N 3.19Å; S655-I657 VanDerWaalsContact O-N 3.08Å
656	I	69.4	Low	69.3	Low	44 Å²	44	50.2 Å²	50.2	23%	0.226	25%	0.25	C	C	.	.	S	Bend	trans	-83.5	88.6	179.1	-57.2	166.4	0	0	0	108.8	M601 L652 N653 K654 R658	M601-I656 HydrophobicContact SD-CD1 4.23Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 2.77Å; N653-I656 PolarHBondContact O-N 3.31Å; K654-I656 VanDerWaalsContact C-N 3.33Å; I656-R658 PolarHBondContact O-N 3.29Å
657	I	63.1	Low	67.1	Low	50 Å²	50	51.4 Å²	51.4	26%	0.256	26%	0.255	S	S	.	.			trans	-66.2	127.7	174.4	-60.9	-173.2	0	0	0	109.5	V533 S655 V659	V533-I657 HydrophobicContact CB-CD1 3.32Å; V533-I657 HydrophobicContact CG1-CD1 4.31Å; V533-I657 HydrophobicContact CG2-CD1 3.45Å; V533-I657 VanDerWaalsContact CG2-CD1 3.45Å; V533-I657 HydrophobicContact CG2-CG1 4.36Å; S655-I657 PolarHBondContact O-N 3.19Å; S655-I657 VanDerWaalsContact O-N 3.08Å; I657-V659 PolarHBondContact O-N 2.83Å
658	R	55.5	Low	65.1	Low	146 Å²	146	55.5 Å²	55.5	55%	0.551	28%	0.275	S	S	*	.			trans	-68.4	125.5	169.6	-72.1	177.5	163.8	163.3	-3.7	108.2	I656 E660	I656-R658 PolarHBondContact O-N 3.29Å; R658-E660 PolarHBondContact O-N 3.49Å
659	V	51.5	Low	62.8	Low	11 Å²	11	63.7 Å²	63.7	7%	0.067	31%	0.313	C	S	.	.			trans	-69.5	95.7	161.8	-177.9	0	0	0	0	104.8	R510 K611 A613 I657 Q661	R510-V659 WeakPolarHBondContact O-CG1 3.41Å; K611-V659 WeakPolarHBondContact O-CB 3.39Å; A613-V659 HydrophobicContact CB-CG2 3.66Å; I657-V659 PolarHBondContact O-N 2.83Å; V659-Q661 HydrophobicContact CG1-CG 4.15Å; V659-Q661 PolarHBondContact O-N 3.36Å
660	E	46.2	Very low	60.5	Low	127 Å²	127	70.6 Å²	70.6	59%	0.593	35%	0.351	S	S	*	.			trans	-69.9	93.3	163.6	-75.5	179.6	176.1	0	0	106.1	R658 P662	R658-E660 PolarHBondContact O-N 3.49Å; E660-P662 WeakPolarHBondContact O-CD 3.47Å
661	Q	50.5	Low	58	Low	73 Å²	73	77.6 Å²	77.6	34%	0.341	38%	0.376	S	S	.	.			trans	-67.1	120.3	148	-63.1	-169.9	-28.4	0	0	104.1	V659 D663	V659-Q661 HydrophobicContact CG1-CG 4.15Å; V659-Q661 PolarHBondContact O-N 3.36Å; Q661-D663 PolarHBondContact O-N 3.2Å
662	P	48.9	Very low	55.5	Low	72 Å²	72	85.7 Å²	85.7	47%	0.468	41%	0.413	S	S	.	.			trans	-67.2	87.9	168.3	28.4	-30	0	0	0	105.7	E660 I664 Y701	E660-P662 WeakPolarHBondContact O-CD 3.47Å; P662-I664 PolarHBondContact O-N 3.46Å; P662-I664 VanDerWaalsContact O-N 3.08Å; P662-Y701 HydrophobicContact CG-CD2 4.37Å; P662-Y701 HydrophobicContact CG-CG 4.43Å
663	D	48.1	Very low	52.9	Low	53 Å²	53	94.8 Å²	94.8	28%	0.283	46%	0.456	S	S	.	.			trans	-58.6	113.7	156.4	-78.4	-3.9	0	0	0	103.9	Q661 N665 R698	Q661-D663 PolarHBondContact O-N 3.2Å; D663-N665 PolarHBondContact O-N 3.1Å; D663-R698 IonicContact OD2-NH1 2.7Å
664	I	52.4	Low	50.6	Low	4 Å²	4	101.7 Å²	101.7	2%	0.021	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	92.9	173.7	-61.9	160.5	0	0	0	104.7	P662 L666 Y701 Y704 R771	P662-I664 PolarHBondContact O-N 3.46Å; P662-I664 VanDerWaalsContact O-N 3.08Å; I664-L666 HydrophobicContact CG2-CD2 3.88Å; I664-L666 HydrophobicContact CG2-CG 4.1Å; I664-L666 PolarHBondContact O-N 3.29Å; I664-Y701 HydrophobicContact CD1-CD2 4.12Å; I664-Y704 VanDerWaalsContact CD1-CB 3.41Å; I664-Y704 HydrophobicContact CD1-CD1 3.58Å; I664-Y704 HydrophobicContact CD1-CD2 3.71Å; I664-Y704 HydrophobicContact CD1-CE1 4.24Å; I664-Y704 HydrophobicContact CD1-CE2 4.35Å; I664-Y704 HydrophobicContact CD1-CG 3.27Å; I664-R771 VanDerWaalsContact CG2-CD 3.48Å; I664-R771 VanDerWaalsContact CG2-NE 3.33Å
665	N	52.9	Low	48.2	Very low	61 Å²	61	102.2 Å²	102.2	33%	0.326	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	109.7	162.8	-75.7	-13.4	0	0	0	106.2	D663 E667	D663-N665 PolarHBondContact O-N 3.1Å; N665-E667 PolarHBondContact O-N 3.01Å; N665-E667 VanDerWaalsContact O-N 3.16Å
666	L	53.7	Low	46.1	Very low	30 Å²	30	109.8 Å²	109.8	16%	0.157	55%	0.545	C	S	.	.	S	Bend	trans	-75	10.8	175.8	-67.1	158.7	0	0	0	111.8	I664 V699 R767	I664-L666 HydrophobicContact CG2-CD2 3.88Å; I664-L666 HydrophobicContact CG2-CG 4.1Å; I664-L666 PolarHBondContact O-N 3.29Å; L666-V699 HydrophobicContact CD1-CG2 3.92Å; L666-R767 HydrophobicContact CB-CB 4.19Å; L666-R767 HydrophobicContact CD1-CB 4.01Å; L666-R767 HydrophobicContact CD2-CB 3.96Å; L666-R767 HydrophobicContact CG-CB 4.27Å
667	E	46.8	Very low	44.6	Very low	117 Å²	117	112.1 Å²	112.1	55%	0.547	57%	0.571	S	S	.	*			trans	-133.5	86.6	-177.9	-68.1	-178.5	-175.8	0	0	110.5	N665 R767	N665-E667 PolarHBondContact O-N 3.01Å; N665-E667 VanDerWaalsContact O-N 3.16Å; E667-R767 IonicContact OE1-CZ 3.67Å; E667-R767 VanDerWaalsContact OE1-CZ 3.22Å; E667-R767 IonicContact OE1-NH1 2.82Å; E667-R767 PolarHBondContact OE1-NH1 3.48Å; E667-R767 IonicContact OE1-NH2 3.61Å; E667-R767 PolarHBondContact OE1-NH2 2.94Å
668	E	45.2	Very low	43.2	Very low	141 Å²	141	115.7 Å²	115.7	66%	0.659	60%	0.6	S	S	*	*			trans	-144.5	102.4	155.3	-74	-171.9	164.2	0	0	106.9
669	E	42	Very low	42	Very low	172 Å²	172	117.5 Å²	117.5	80%	0.804	62%	0.615	S	S	*	*	S	Bend	trans	-179.3	-0.9	138.7	-99	171.9	-162.1	0	0	117.9
670	D	42.1	Very low	41.4	Very low	170 Å²	170	123.7 Å²	123.7	91%	0.909	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	9.6	-176.3	-75	-16.8	0	0	0	117
671	Q	36.7	Very low	40.8	Very low	191 Å²	191	123 Å²	123	89%	0.893	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	11.1	179.6	-75.5	-171	6.1	0	0	116.2
672	H	33.2	Very low	40	Very low	175 Å²	175	125.5 Å²	125.5	81%	0.81	68%	0.679	S	S	*	*	S	Bend	trans	-130.5	76.6	175.6	-82.9	-55.5	0	0	0	112.7
673	Q	33.6	Very low	39.5	Very low	190 Å²	190	129.8 Å²	129.8	89%	0.888	70%	0.696	S	S	*	*	S	Bend	trans	-167.6	8.4	153.7	-113	157.8	76.7	0	0	119.8
674	L	34.7	Very low	38.6	Very low	181 Å²	181	134.4 Å²	134.4	95%	0.948	72%	0.721	S	S	*	*			trans	-127	65.9	-179.8	-74.7	156.6	0	0	0	112.8
675	T	30.2	Very low	37.9	Very low	128 Å²	128	143.2 Å²	143.2	79%	0.785	76%	0.762	S	S	*	*			trans	-131.1	84.6	159.1	52.4	0	0	0	0	107.8
676	D	32.1	Very low	36.8	Very low	169 Å²	169	146 Å²	146	90%	0.904	78%	0.783	S	S	*	*			trans	172.9	91.8	152.1	-91.1	-16.5	0	0	0	109.4
677	A	36.8	Very low	35.8	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	81%	0.812	S	S	*	*	S	Bend	trans	159.9	132.7	137.1	0	0	0	0	0	112.5
678	S	35.2	Very low	34.9	Very low	124 Å²	124	151.6 Å²	151.6	87%	0.867	83%	0.827	S	S	*	*			trans	80	91.9	159.9	47.7	0	0	0	0	119.6
679	E	29.7	Very low	34.2	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	83%	0.832	S	S	*	*			trans	-57.7	141.4	152.6	-58.7	172.3	144.9	0	0	112.1
680	T	37.6	Very low	33.6	Very low	141 Å²	141	150.9 Å²	150.9	87%	0.865	83%	0.833	S	S	*	*				-174.5	148.4	120.2	28.5	0	0	0	0	111.5
681	P	33.6	Very low	33	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	82%	0.824	S	S	*	*			trans	-116.9	179.7	-156.9	32	-12.4	0	0	0	115.1
682	V	34.5	Very low	32.8	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	82%	0.822	S	S	*	*			trans	89.1	114.8	156.5	-143.9	0	0	0	0	118.1
683	I	37.5	Very low	32.8	Very low	162 Å²	162	144.7 Å²	144.7	83%	0.831	82%	0.823	S	S	*	*				167.4	129.6	102.6	-74.5	167.8	0	0	0	110.1
684	D	31	Very low	32.9	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	82%	0.822	S	S	*	*			trans	-56.5	144.5	179.7	-68.4	-49.1	0	0	0	116.4
685	Q	36.1	Very low	33.2	Very low	188 Å²	188	135 Å²	135	88%	0.879	81%	0.808	S	S	*	*			trans	-158.4	138.7	131.6	-108.3	170.9	51.7	0	0	111.4
686	P	31	Very low	34.1	Very low	119 Å²	119	134 Å²	134	77%	0.773	79%	0.794	S	S	*	*			trans	-95.9	120.6	-168.8	35	-28.9	0	0	0	112
687	T	32.6	Very low	35.3	Very low	122 Å²	122	128 Å²	128	75%	0.748	76%	0.761	S	S	*	*			trans	-144	103.2	166.2	46.4	0	0	0	0	111.5	E689	T687-E689 PolarHBondContact O-N 2.89Å
688	T	27.5	Very low	36.3	Very low	143 Å²	143	130.3 Å²	130.3	88%	0.877	75%	0.75	S	S	*	*			trans	25.5	89.6	147.8	19.8	0	0	0	0	117.5
689	E	31	Very low	37.7	Very low	162 Å²	162	124.6 Å²	124.6	76%	0.757	71%	0.71	S	S	*	*			trans	-88.5	109.6	164.8	-71.4	-178.3	172.7	0	0	110.7	T687 N691	T687-E689 PolarHBondContact O-N 2.89Å; E689-N691 VanDerWaalsContact C-N 3.31Å; E689-N691 PolarHBondContact O-N 3.4Å; E689-N691 VanDerWaalsContact O-N 3.12Å
690	T	29.6	Very low	39.4	Very low	136 Å²	136	118.6 Å²	118.6	83%	0.834	69%	0.686	S	S	*	*			trans	-71.6	87.2	155.9	41.4	0	0	0	0	108.9	T692	T690-T692 PolarHBondContact O-N 3.39Å; T690-T692 VanDerWaalsContact O-N 3.14Å
691	N	30.1	Very low	40.8	Very low	133 Å²	133	117.3 Å²	117.3	71%	0.711	67%	0.666	S	S	*	*			trans	-71.3	99.9	168.8	-88.7	-30.1	0	0	0	110	E689	E689-N691 VanDerWaalsContact C-N 3.31Å; E689-N691 PolarHBondContact O-N 3.4Å; E689-N691 VanDerWaalsContact O-N 3.12Å
692	T	31.8	Very low	42.6	Very low	137 Å²	137	117.2 Å²	117.2	84%	0.84	66%	0.66	S	S	*	*			trans	-77.7	113.8	161.2	30.4	0	0	0	0	108	T690 A694	T690-T692 PolarHBondContact O-N 3.39Å; T690-T692 VanDerWaalsContact O-N 3.14Å; T692-A694 PolarHBondContact O-N 2.88Å
693	T	32.7	Very low	44.3	Very low	137 Å²	137	115.2 Å²	115.2	84%	0.84	64%	0.642	S	S	*	*			trans	-63.6	113.5	-180	45.8	0	0	0	0	111.5	G695	T693-G695 PolarHBondContact O-N 3.11Å
694	A	36.8	Very low	46.1	Very low	105 Å²	105	107.9 Å²	107.9	87%	0.868	60%	0.604	S	S	*	*			trans	-65.3	114.6	166.9	0	0	0	0	0	109.6	T692	T692-A694 PolarHBondContact O-N 2.88Å
695	G	39.4	Very low	48.3	Very low	63 Å²	63	108.2 Å²	108.2	65%	0.649	59%	0.594	S	S	*	*			trans	-75.4	130	-175.8	0	0	0	0	0	113.1	T693 L697	T693-G695 PolarHBondContact O-N 3.11Å; G695-L697 PolarHBondContact O-N 3.3Å
696	H	50.1	Low	50.3	Low	107 Å²	107	106.5 Å²	106.5	50%	0.495	58%	0.579	S	S	.	*			trans	-59.9	107.5	174.3	-170.6	-35.7	0	0	0	111.1	R698	H696-R698 VanDerWaalsContact CE1-CG 3.48Å; H696-R698 WeakPolarHBondContact CE1-CG 3.48Å; H696-R698 PolarHBondContact CE1-NE 3.49Å; H696-R698 WeakPolarHBondContact ND1-CG 3.45Å; H696-R698 PolarHBondContact ND1-NE 2.96Å; H696-R698 PolarHBondContact NE2-NE 2.98Å; H696-R698 PolarHBondContact NE2-NH2 3.14Å; H696-R698 PolarHBondContact O-N 3.39Å
697	L	57.9	Low	52.6	Low	41 Å²	41	101.6 Å²	101.6	22%	0.215	55%	0.546	C	S	.	.			trans	-78.2	112.2	175.6	-78.2	136	0	0	0	110.4	G695	G695-L697 PolarHBondContact O-N 3.3Å
698	R	57.3	Low	54.8	Low	143 Å²	143	96.1 Å²	96.1	54%	0.54	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.2	171.5	-62.5	-173.5	-175.8	-171	-2.8	109.2	D663 H696	D663-R698 IonicContact OD2-NH1 2.7Å; H696-R698 VanDerWaalsContact CE1-CG 3.48Å; H696-R698 WeakPolarHBondContact CE1-CG 3.48Å; H696-R698 PolarHBondContact CE1-NE 3.49Å; H696-R698 WeakPolarHBondContact ND1-CG 3.45Å; H696-R698 PolarHBondContact ND1-NE 2.96Å; H696-R698 PolarHBondContact NE2-NE 2.98Å; H696-R698 PolarHBondContact NE2-NH2 3.14Å; H696-R698 PolarHBondContact O-N 3.39Å
699	V	63.3	Low	57.3	Low	4 Å²	4	92 Å²	92	2%	0.024	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138	178.6	-170.8	0	0	0	0	109.3	L666 E703 L764	L666-V699 HydrophobicContact CD1-CG2 3.92Å; V699-E703 HydrophobicContact CG1-CB 3.78Å; V699-L764 HydrophobicContact CG1-CD2 4.39Å; V699-L764 HydrophobicContact CG2-CD1 3.55Å; V699-L764 HydrophobicContact CG2-CD2 3.83Å; V699-L764 HydrophobicContact CG2-CG 3.5Å; V699-L764 VanDerWaalsContact CG2-CG 3.5Å
700	T	66.4	Low	59.7	Low	59 Å²	59	87.6 Å²	87.6	36%	0.362	47%	0.472	S	S	.	.			trans	-70.6	147.7	175.5	65.4	0	0	0	0	110.8	D702 E703 Y704	T700-D702 PolarHBondContact O-N 2.85Å; T700-E703 PolarHBondContact N-OE2 3.07Å; T700-E703 PolarHBondContact O-N 3.46Å; T700-E703 VanDerWaalsContact O-N 3.17Å; T700-E703 WeakPolarHBondContact OG1-CB 3.1Å; T700-E703 WeakPolarHBondContact OG1-CG 2.98Å; T700-E703 PolarHBondContact OG1-N 2.93Å; T700-E703 PolarHBondContact OG1-OE2 2.77Å; T700-Y704 PolarHBondContact O-N 3.29Å
701	Y	67.3	Low	62.1	Low	113 Å²	113	81.1 Å²	81.1	44%	0.443	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-32.2	179.2	-177.7	-95.7	0	0	0	113.2	P662 I664 Y704 R705	P662-Y701 HydrophobicContact CG-CD2 4.37Å; P662-Y701 HydrophobicContact CG-CG 4.43Å; I664-Y701 HydrophobicContact CD1-CD2 4.12Å; Y701-Y704 HydrophobicContact CD2-CD1 4.4Å; Y701-Y704 HydrophobicContact CE2-CD1 4.42Å; Y701-Y704 PolarHBondContact O-N 3.03Å; Y701-R705 HydrophobicContact CE1-CB 4.43Å; Y701-R705 VanDerWaalsContact O-CB 3.27Å; Y701-R705 WeakPolarHBondContact O-CB 3.44Å; Y701-R705 PolarHBondContact O-N 3.24Å
702	D	70.5	Confident	64.5	Low	112 Å²	112	75.4 Å²	75.4	60%	0.599	40%	0.401	S	S	*	.	H	α-helix	trans	-71.9	-35.1	177.8	-69	-29	0	0	0	112.2	T700 R706	T700-D702 PolarHBondContact O-N 2.85Å; D702-R706 WeakPolarHBondContact O-CB 3.34Å; D702-R706 VanDerWaalsContact O-CG 3.3Å; D702-R706 WeakPolarHBondContact O-CG 3.49Å; D702-R706 PolarHBondContact O-N 3Å; D702-R706 PolarHBondContact O-NE 3.04Å
703	E	69.7	Low	66.9	Low	82 Å²	82	74.2 Å²	74.2	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-47.4	169.4	-73.6	160.5	172.8	0	0	110.3	V699 T700 R705 R706 I707	V699-E703 HydrophobicContact CG1-CB 3.78Å; T700-E703 PolarHBondContact N-OE2 3.07Å; T700-E703 PolarHBondContact O-N 3.46Å; T700-E703 VanDerWaalsContact O-N 3.17Å; T700-E703 WeakPolarHBondContact OG1-CB 3.1Å; T700-E703 WeakPolarHBondContact OG1-CG 2.98Å; T700-E703 PolarHBondContact OG1-N 2.93Å; T700-E703 PolarHBondContact OG1-OE2 2.77Å; E703-R705 VanDerWaalsContact C-N 3.32Å; E703-R705 PolarHBondContact O-N 3.42Å; E703-R706 VanDerWaalsContact CG-NH2 3.29Å; E703-R706 PolarHBondContact O-N 2.89Å; E703-I707 WeakPolarHBondContact O-CB 3.5Å; E703-I707 WeakPolarHBondContact O-CG1 3.49Å; E703-I707 PolarHBondContact O-N 2.86Å
704	Y	75.8	Confident	69	Low	8 Å²	8	70 Å²	70	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-54.3	-46.7	174.8	177	-100.9	0	0	0	112.2	I664 T700 Y701 A708 I768 R771 D776	I664-Y704 VanDerWaalsContact CD1-CB 3.41Å; I664-Y704 HydrophobicContact CD1-CD1 3.58Å; I664-Y704 HydrophobicContact CD1-CD2 3.71Å; I664-Y704 HydrophobicContact CD1-CE1 4.24Å; I664-Y704 HydrophobicContact CD1-CE2 4.35Å; I664-Y704 HydrophobicContact CD1-CG 3.27Å; T700-Y704 PolarHBondContact O-N 3.29Å; Y701-Y704 HydrophobicContact CD2-CD1 4.4Å; Y701-Y704 HydrophobicContact CE2-CD1 4.42Å; Y701-Y704 PolarHBondContact O-N 3.03Å; Y704-A708 WeakPolarHBondContact O-CB 3.37Å; Y704-A708 PolarHBondContact O-N 3.26Å; Y704-I768 HydrophobicContact CD2-CB 4.47Å; Y704-I768 HydrophobicContact CD2-CD1 3.87Å; Y704-I768 HydrophobicContact CD2-CG1 3.77Å; Y704-I768 HydrophobicContact CD2-CG2 4.1Å; Y704-I768 HydrophobicContact CE2-CB 4.28Å; Y704-I768 HydrophobicContact CE2-CG1 4.01Å; Y704-I768 HydrophobicContact CE2-CG2 3.79Å; Y704-R771 VanDerWaalsContact CZ-NH1 3.35Å; Y704-D776 PolarHBondContact OH-OD2 3.45Å
705	R	77.1	Confident	70.9	Confident	158 Å²	158	65 Å²	65	60%	0.596	32%	0.318	S	S	*	.	H	α-helix	trans	-68.2	-40.8	-179.3	-172.7	178.5	177.9	-177.2	2.3	111.9	Y701 E703 S709	Y701-R705 HydrophobicContact CE1-CB 4.43Å; Y701-R705 VanDerWaalsContact O-CB 3.27Å; Y701-R705 WeakPolarHBondContact O-CB 3.44Å; Y701-R705 PolarHBondContact O-N 3.24Å; E703-R705 VanDerWaalsContact C-N 3.32Å; E703-R705 PolarHBondContact O-N 3.42Å; R705-S709 VanDerWaalsContact O-CB 3.28Å; R705-S709 WeakPolarHBondContact O-CB 3.01Å; R705-S709 PolarHBondContact O-N 2.83Å; R705-S709 PolarHBondContact O-OG 2.87Å
706	R	78.4	Confident	72.7	Confident	153 Å²	153	69.1 Å²	69.1	58%	0.577	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-51.4	174.8	-80.6	-175.2	-70.9	154.8	-3.1	110.8	D702 E703 A708 S709 L710	D702-R706 WeakPolarHBondContact O-CB 3.34Å; D702-R706 VanDerWaalsContact O-CG 3.3Å; D702-R706 WeakPolarHBondContact O-CG 3.49Å; D702-R706 PolarHBondContact O-N 3Å; D702-R706 PolarHBondContact O-NE 3.04Å; E703-R706 VanDerWaalsContact CG-NH2 3.29Å; E703-R706 PolarHBondContact O-N 2.89Å; R706-A708 PolarHBondContact O-N 3.38Å; R706-S709 PolarHBondContact O-N 3.26Å; R706-S709 PolarHBondContact O-OG 2.97Å; R706-L710 WeakPolarHBondContact O-CG 3.31Å; R706-L710 PolarHBondContact O-N 3.23Å
707	I	79	Confident	74	Confident	16 Å²	16	67.6 Å²	67.6	8%	0.082	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-49.1	179	-62.1	171.6	0	0	0	110	E703 S709 L710 L711 Y744 L764 I768	E703-I707 WeakPolarHBondContact O-CB 3.5Å; E703-I707 WeakPolarHBondContact O-CG1 3.49Å; E703-I707 PolarHBondContact O-N 2.86Å; I707-S709 VanDerWaalsContact C-N 3.35Å; I707-S709 PolarHBondContact O-N 2.94Å; I707-L710 PolarHBondContact O-N 3.49Å; I707-L711 HydrophobicContact CG2-CD1 3.86Å; I707-L711 HydrophobicContact CG2-CG 4.28Å; I707-L711 VanDerWaalsContact O-CG 3.26Å; I707-L711 WeakPolarHBondContact O-CG 3.16Å; I707-L711 PolarHBondContact O-N 3Å; I707-Y744 HydrophobicContact CB-CE2 4.49Å; I707-Y744 HydrophobicContact CG1-CE2 4.28Å; I707-Y744 WeakPolarHBondContact CG1-OH 3.5Å; I707-Y744 HydrophobicContact CG2-CE2 3.92Å; I707-L764 HydrophobicContact CD1-CD2 4.03Å; I707-I768 HydrophobicContact CB-CD1 4.17Å; I707-I768 HydrophobicContact CD1-CD1 3.96Å; I707-I768 HydrophobicContact CG2-CD1 3.93Å; I707-I768 HydrophobicContact CG2-CG2 4.45Å
708	A	78.4	Confident	74.8	Confident	7 Å²	7	69.2 Å²	69.2	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-44	177.3	0	0	0	0	0	112.1	Y704 R706 L710 L711 I712 L772	Y704-A708 WeakPolarHBondContact O-CB 3.37Å; Y704-A708 PolarHBondContact O-N 3.26Å; R706-A708 PolarHBondContact O-N 3.38Å; A708-L710 PolarHBondContact O-N 3.22Å; A708-L711 PolarHBondContact O-N 2.82Å; A708-I712 HydrophobicContact CB-CD1 4.46Å; A708-I712 WeakPolarHBondContact O-CB 3.43Å; A708-I712 VanDerWaalsContact O-CD1 3.3Å; A708-I712 WeakPolarHBondContact O-CD1 3.44Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.39Å; A708-L772 HydrophobicContact CB-CD1 4.22Å; A708-L772 HydrophobicContact CB-CD2 4.09Å
709	S	80.6	Confident	75.3	Confident	56 Å²	56	64.3 Å²	64.3	39%	0.392	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178.7	67.4	0	0	0	0	112.8	R705 R706 I707 I712 L713	R705-S709 VanDerWaalsContact O-CB 3.28Å; R705-S709 WeakPolarHBondContact O-CB 3.01Å; R705-S709 PolarHBondContact O-N 2.83Å; R705-S709 PolarHBondContact O-OG 2.87Å; R706-S709 PolarHBondContact O-N 3.26Å; R706-S709 PolarHBondContact O-OG 2.97Å; I707-S709 VanDerWaalsContact C-N 3.35Å; I707-S709 PolarHBondContact O-N 2.94Å; S709-I712 PolarHBondContact O-N 3.47Å; S709-L713 WeakPolarHBondContact O-CB 3.4Å; S709-L713 PolarHBondContact O-N 2.92Å
710	L	81.4	Confident	75.6	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-45.5	175.9	-69.8	174.4	0	0	0	111.2	R706 I707 A708 I712 L713 K714	R706-L710 WeakPolarHBondContact O-CG 3.31Å; R706-L710 PolarHBondContact O-N 3.23Å; I707-L710 PolarHBondContact O-N 3.49Å; A708-L710 PolarHBondContact O-N 3.22Å; L710-I712 PolarHBondContact O-N 3.18Å; L710-L713 PolarHBondContact O-N 3.06Å; L710-K714 WeakPolarHBondContact O-CB 3.45Å; L710-K714 PolarHBondContact O-N 3.13Å
711	L	79.8	Confident	75.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-43.2	177.3	-66.9	176.2	0	0	0	111.8	I707 A708 A715 L740 Y744 V765 I768 I769	I707-L711 HydrophobicContact CG2-CD1 3.86Å; I707-L711 HydrophobicContact CG2-CG 4.28Å; I707-L711 VanDerWaalsContact O-CG 3.26Å; I707-L711 WeakPolarHBondContact O-CG 3.16Å; I707-L711 PolarHBondContact O-N 3Å; A708-L711 PolarHBondContact O-N 2.82Å; L711-A715 VanDerWaalsContact O-CB 3.24Å; L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 3.45Å; L711-L740 HydrophobicContact CB-CD2 4.24Å; L711-L740 HydrophobicContact CD2-CD2 3.73Å; L711-L740 HydrophobicContact CD2-CG 4.16Å; L711-L740 HydrophobicContact CG-CD2 4.39Å; L711-Y744 HydrophobicContact CD2-CD2 4.14Å; L711-Y744 HydrophobicContact CD2-CG 4.35Å; L711-V765 HydrophobicContact CD1-CG1 4.41Å; L711-I768 HydrophobicContact CD1-CG2 4.28Å; L711-I769 HydrophobicContact CD1-CG1 4.26Å
712	I	80.9	Confident	75.5	Confident	13 Å²	13	65.8 Å²	65.8	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-46	178.3	-67.2	160.4	0	0	0	110.7	A708 S709 L710 K714 A715 R716 I778 V800 Y804	A708-I712 HydrophobicContact CB-CD1 4.46Å; A708-I712 WeakPolarHBondContact O-CB 3.43Å; A708-I712 VanDerWaalsContact O-CD1 3.3Å; A708-I712 WeakPolarHBondContact O-CD1 3.44Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.39Å; S709-I712 PolarHBondContact O-N 3.47Å; L710-I712 PolarHBondContact O-N 3.18Å; I712-K714 VanDerWaalsContact C-N 3.31Å; I712-K714 PolarHBondContact O-N 3.35Å; I712-A715 PolarHBondContact O-N 3.48Å; I712-R716 WeakPolarHBondContact O-CB 3.41Å; I712-R716 PolarHBondContact O-N 2.86Å; I712-I778 HydrophobicContact CD1-CD1 4.35Å; I712-I778 HydrophobicContact CD1-CG2 3.73Å; I712-I778 HydrophobicContact CG1-CG2 3.94Å; I712-V800 HydrophobicContact CG2-CG1 4.35Å; I712-V800 HydrophobicContact CG2-CG2 4.48Å; I712-Y804 HydrophobicContact CD1-CE1 4.23Å; I712-Y804 HydrophobicContact CG2-CD1 4.2Å; I712-Y804 HydrophobicContact CG2-CE1 3.92Å
713	L	81.4	Confident	75	Confident	112 Å²	112	64.5 Å²	64.5	59%	0.586	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-40	-179.5	-171.5	129.7	0	0	0	111.3	S709 L710 N717	S709-L713 WeakPolarHBondContact O-CB 3.4Å; S709-L713 PolarHBondContact O-N 2.92Å; L710-L713 PolarHBondContact O-N 3.06Å; L713-N717 WeakPolarHBondContact O-CB 3.45Å; L713-N717 PolarHBondContact O-N 3.21Å
714	K	78.6	Confident	74.5	Confident	49 Å²	49	66 Å²	66	21%	0.213	34%	0.336	C	S	.	.	H	α-helix	trans	-69.8	-44.9	175.9	-168.4	65	165.6	-178.2	0	112.4	L710 I712 R716 N717 W718 W743	L710-K714 WeakPolarHBondContact O-CB 3.45Å; L710-K714 PolarHBondContact O-N 3.13Å; I712-K714 VanDerWaalsContact C-N 3.31Å; I712-K714 PolarHBondContact O-N 3.35Å; K714-R716 VanDerWaalsContact C-N 3.25Å; K714-R716 PolarHBondContact O-N 3.5Å; K714-N717 PolarHBondContact O-N 3.09Å; K714-W718 PolarHBondContact O-N 2.87Å; K714-W743 HydrophobicContact CB-CE3 4.11Å; K714-W743 HydrophobicContact CB-CH2 3.83Å; K714-W743 HydrophobicContact CB-CZ2 4.3Å; K714-W743 HydrophobicContact CB-CZ3 3.72Å; K714-W743 HydrophobicContact CD-CD2 4.18Å; K714-W743 HydrophobicContact CD-CH2 4.15Å; K714-W743 HydrophobicContact CD-CZ2 3.74Å; K714-W743 HydrophobicContact CG-CD2 3.78Å; K714-W743 HydrophobicContact CG-CE3 3.78Å; K714-W743 HydrophobicContact CG-CH2 3.94Å; K714-W743 HydrophobicContact CG-CZ2 3.95Å; K714-W743 HydrophobicContact CG-CZ3 3.86Å
715	A	76.1	Confident	73.6	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-38.5	176.3	0	0	0	0	0	111.7	L711 I712 C719 L740 V800	L711-A715 VanDerWaalsContact O-CB 3.24Å; L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 3.45Å; I712-A715 PolarHBondContact O-N 3.48Å; A715-C719 PolarHBondContact O-N 3.41Å; A715-C719 VanDerWaalsContact O-N 3.16Å; A715-C719 PolarHBondContact O-SG 3.46Å; A715-L740 HydrophobicContact CB-CD1 4.15Å; A715-V800 HydrophobicContact CB-CG2 3.63Å
716	R	76	Confident	72.2	Confident	149 Å²	149	68.6 Å²	68.6	56%	0.562	37%	0.369	S	S	*	.	H	α-helix	trans	-66	-48	173.6	-176.1	177.2	177.2	162.1	4.2	112.3	I712 K714 W718 C719 E720	I712-R716 WeakPolarHBondContact O-CB 3.41Å; I712-R716 PolarHBondContact O-N 2.86Å; K714-R716 VanDerWaalsContact C-N 3.25Å; K714-R716 PolarHBondContact O-N 3.5Å; R716-W718 VanDerWaalsContact C-N 3.26Å; R716-W718 PolarHBondContact O-N 3.05Å; R716-C719 WeakPolarHBondContact O-CB 3.45Å; R716-C719 PolarHBondContact O-N 3.26Å; R716-C719 VanDerWaalsContact O-N 3.15Å; R716-E720 HydrophobicContact CG-CG 4.45Å; R716-E720 IonicContact CZ-OE1 3.45Å; R716-E720 IonicContact NE-OE1 3.44Å; R716-E720 PolarHBondContact NE-OE1 3.13Å; R716-E720 IonicContact NH2-OE1 3.78Å; R716-E720 WeakPolarHBondContact O-CG 3.27Å; R716-E720 PolarHBondContact O-N 3.33Å
717	N	79.1	Confident	70.7	Confident	75 Å²	75	71.3 Å²	71.3	40%	0.401	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-35.5	-179.9	-165.3	1.8	0	0	0	111.9	L713 K714 E720 T721	L713-N717 WeakPolarHBondContact O-CB 3.45Å; L713-N717 PolarHBondContact O-N 3.21Å; K714-N717 PolarHBondContact O-N 3.09Å; N717-E720 PolarHBondContact O-N 3.07Å; N717-T721 WeakPolarHBondContact O-CB 3.33Å; N717-T721 PolarHBondContact O-N 2.99Å; N717-T721 PolarHBondContact O-OG1 3.31Å; N717-T721 PolarHBondContact OD1-OG1 2.92Å
718	W	74.9	Confident	69	Low	74 Å²	74	75 Å²	75	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-68.6	-39.8	174.7	-82.9	36.3	0	0	0	113	K714 R716 S722 P735 E739	K714-W718 PolarHBondContact O-N 2.87Å; R716-W718 VanDerWaalsContact C-N 3.26Å; R716-W718 PolarHBondContact O-N 3.05Å; W718-S722 WeakPolarHBondContact O-CB 3.16Å; W718-S722 PolarHBondContact O-N 3.2Å; W718-S722 VanDerWaalsContact O-N 3.12Å; W718-S722 PolarHBondContact O-OG 3.23Å; W718-P735 HydrophobicContact CE3-CB 3.63Å; W718-P735 HydrophobicContact CE3-CG 4.25Å; W718-P735 HydrophobicContact CZ3-CB 3.88Å; W718-E739 VanDerWaalsContact CH2-CD 3.41Å; W718-E739 HydrophobicContact CH2-CG 3.62Å; W718-E739 VanDerWaalsContact CH2-OE1 3.23Å; W718-E739 WeakPolarHBondContact CH2-OE1 3.35Å; W718-E739 HydrophobicContact CZ3-CG 3.86Å; W718-E739 WeakPolarHBondContact CZ3-OE1 3.42Å
719	C	67.4	Low	67.3	Low	40 Å²	40	81 Å²	81	27%	0.27	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-41.3	172.6	-67.7	0	0	0	0	111.5	A715 R716 A723	A715-C719 PolarHBondContact O-N 3.41Å; A715-C719 VanDerWaalsContact O-N 3.16Å; A715-C719 PolarHBondContact O-SG 3.46Å; R716-C719 WeakPolarHBondContact O-CB 3.45Å; R716-C719 PolarHBondContact O-N 3.26Å; R716-C719 VanDerWaalsContact O-N 3.15Å; C719-A723 WeakPolarHBondContact O-CB 3.41Å; C719-A723 PolarHBondContact O-N 3.24Å; C719-A723 VanDerWaalsContact O-N 3.16Å
720	E	70.1	Confident	65.7	Low	99 Å²	99	87.5 Å²	87.5	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-69.5	-42.2	-179.7	-73.6	177.2	-175.2	0	0	112.5	R716 N717 S722 A723 T724	R716-E720 HydrophobicContact CG-CG 4.45Å; R716-E720 IonicContact CZ-OE1 3.45Å; R716-E720 IonicContact NE-OE1 3.44Å; R716-E720 PolarHBondContact NE-OE1 3.13Å; R716-E720 IonicContact NH2-OE1 3.78Å; R716-E720 WeakPolarHBondContact O-CG 3.27Å; R716-E720 PolarHBondContact O-N 3.33Å; N717-E720 PolarHBondContact O-N 3.07Å; E720-S722 VanDerWaalsContact C-N 3.33Å; E720-S722 PolarHBondContact O-N 3.24Å; E720-A723 PolarHBondContact O-N 2.99Å; E720-T724 PolarHBondContact O-N 2.85Å; E720-T724 PolarHBondContact O-OG1 3.34Å; E720-T724 VanDerWaalsContact O-OG1 3.07Å
721	T	68.4	Low	64.2	Low	68 Å²	68	90 Å²	90	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-39.9	177.2	-51.7	0	0	0	0	110.9	N717 A723 T724	N717-T721 WeakPolarHBondContact O-CB 3.33Å; N717-T721 PolarHBondContact O-N 2.99Å; N717-T721 PolarHBondContact O-OG1 3.31Å; N717-T721 PolarHBondContact OD1-OG1 2.92Å; T721-A723 VanDerWaalsContact C-N 3.3Å; T721-A723 PolarHBondContact O-N 3.28Å; T721-T724 PolarHBondContact O-N 3.45Å; T721-T724 PolarHBondContact O-OG1 2.72Å; T721-T724 VanDerWaalsContact O-OG1 3.08Å
722	S	61.3	Low	63.1	Low	41 Å²	41	93.1 Å²	93.1	29%	0.287	51%	0.509	S	S	.	.	H	α-helix	trans	-71.6	-25.5	179.4	-52.5	0	0	0	0	113	W718 E720 T724 S726	W718-S722 WeakPolarHBondContact O-CB 3.16Å; W718-S722 PolarHBondContact O-N 3.2Å; W718-S722 VanDerWaalsContact O-N 3.12Å; W718-S722 PolarHBondContact O-OG 3.23Å; E720-S722 VanDerWaalsContact C-N 3.33Å; E720-S722 PolarHBondContact O-N 3.24Å; S722-T724 VanDerWaalsContact C-N 3.31Å; S722-S726 PolarHBondContact O-OG 2.78Å; S722-S726 VanDerWaalsContact O-OG 3.04Å
723	A	60.4	Low	62.1	Low	84 Å²	84	94.6 Å²	94.6	69%	0.694	53%	0.527	S	S	*	.	H	α-helix	trans	-74.3	-18.4	176.3	0	0	0	0	0	113.6	C719 E720 T721	C719-A723 WeakPolarHBondContact O-CB 3.41Å; C719-A723 PolarHBondContact O-N 3.24Å; C719-A723 VanDerWaalsContact O-N 3.16Å; E720-A723 PolarHBondContact O-N 2.99Å; T721-A723 VanDerWaalsContact C-N 3.3Å; T721-A723 PolarHBondContact O-N 3.28Å
724	T	59	Low	61.3	Low	115 Å²	115	89.9 Å²	89.9	71%	0.706	51%	0.505	S	S	*	.	H	α-helix	trans	-90.4	-18.4	179.8	14.9	0	0	0	0	113.6	E720 T721 S722	E720-T724 PolarHBondContact O-N 2.85Å; E720-T724 PolarHBondContact O-OG1 3.34Å; E720-T724 VanDerWaalsContact O-OG1 3.07Å; T721-T724 PolarHBondContact O-N 3.45Å; T721-T724 PolarHBondContact O-OG1 2.72Å; T721-T724 VanDerWaalsContact O-OG1 3.08Å; S722-T724 VanDerWaalsContact C-N 3.31Å
725	D	57.3	Low	61	Low	134 Å²	134	87.6 Å²	87.6	72%	0.717	50%	0.495	S	S	*	.	S	Bend	trans	-110.1	1.1	-169.6	-75.3	-20.8	0	0	0	115.9
726	S	49	Very low	61.2	Low	86 Å²	86	91.9 Å²	91.9	60%	0.601	51%	0.513	S	S	*	.			trans	-129.5	86.5	-165.8	-41.6	0	0	0	0	115.5	S722 S728	S722-S726 PolarHBondContact O-OG 2.78Å; S722-S726 VanDerWaalsContact O-OG 3.04Å; S726-S728 VanDerWaalsContact C-N 3.33Å
727	E	46.1	Very low	61.2	Low	210 Å²	210	87 Å²	87	98%	0.981	50%	0.495	S	S	*	.	S	Bend	trans	-88.1	10.9	161.5	-86.1	-169.2	159.5	0	0	113.1
728	S	44	Very low	61.2	Low	94 Å²	94	85.3 Å²	85.3	66%	0.657	49%	0.489	S	S	*	.	S	Bend	trans	-146.6	124.6	-177.3	57.8	0	0	0	0	114.3	S726	S726-S728 VanDerWaalsContact C-N 3.33Å
729	D	42.4	Very low	61.6	Low	132 Å²	132	85.8 Å²	85.8	71%	0.706	50%	0.495	S	S	*	.			trans	64	101.5	157.1	-69.7	-23.6	0	0	0	122.1	T731	D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 PolarHBondContact O-N 2.73Å; D729-T731 PolarHBondContact O-OG1 2.79Å
730	Q	46.6	Very low	62.2	Low	192 Å²	192	84.2 Å²	84.2	90%	0.897	48%	0.483	S	S	*	.				50.9	8.3	127.8	-64.3	-175	25.5	0	0	122
731	T	50.6	Low	62.7	Low	123 Å²	123	79.6 Å²	79.6	76%	0.755	46%	0.462	S	S	*	.			trans	-103.4	119.6	167.3	40.8	0	0	0	0	110	D729 G733	D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 PolarHBondContact O-N 2.73Å; D729-T731 PolarHBondContact O-OG1 2.79Å; T731-G733 PolarHBondContact O-N 3.27Å
732	P	54.7	Low	63.4	Low	66 Å²	66	80.3 Å²	80.3	43%	0.429	46%	0.463	S	S	.	.			trans	-65.5	113.6	176.5	25.6	-30.3	0	0	0	108.1	A734 Y797	P732-A734 PolarHBondContact O-N 3.4Å; P732-Y797 HydrophobicContact CG-CD2 4.41Å; P732-Y797 HydrophobicContact CG-CE2 4.4Å
733	G	59.9	Low	64.5	Low	44 Å²	44	80.8 Å²	80.8	45%	0.454	46%	0.459	S	S	.	.			trans	-69.9	41.5	-179.1	0	0	0	0	0	114.4	T731	T731-G733 PolarHBondContact O-N 3.27Å
734	A	65.2	Low	65.5	Low	13 Å²	13	77.9 Å²	77.9	11%	0.107	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-99.6	142.4	177.5	0	0	0	0	0	109.8	P732 Y797 V799	P732-A734 PolarHBondContact O-N 3.4Å; A734-Y797 HydrophobicContact CB-CD1 4.08Å; A734-Y797 HydrophobicContact CB-CG 4.37Å; A734-Y797 WeakPolarHBondContact O-CD1 3.43Å; A734-Y797 WeakPolarHBondContact O-CE1 3.33Å; A734-V799 HydrophobicContact CB-CG2 3.48Å; A734-V799 VanDerWaalsContact CB-CG2 3.48Å
735	P	73.6	Confident	66.6	Low	1 Å²	1	73.4 Å²	73.4	1%	0.006	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64.2	145	171.6	24	-31.1	0	0	0	111	W718 L740 I798	W718-P735 HydrophobicContact CE3-CB 3.63Å; W718-P735 HydrophobicContact CE3-CG 4.25Å; W718-P735 HydrophobicContact CZ3-CB 3.88Å; P735-L740 HydrophobicContact CB-CD1 4.27Å; P735-L740 HydrophobicContact CG-CD1 3.95Å; P735-I798 WeakPolarHBondContact CD-O 3.47Å; P735-I798 PolarHBondContact O-N 3.03Å
736	K	78.7	Confident	67.8	Low	90 Å²	90	73.9 Å²	73.9	39%	0.391	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-72.4	151.6	165.1	-68.2	-177.7	-179.1	179.3	0	109.9	S738 E739 L740 Y797	K736-S738 VanDerWaalsContact C-N 3.29Å; K736-S738 PolarHBondContact O-N 2.64Å; K736-E739 HydrophobicContact CB-CB 4.33Å; K736-E739 WeakPolarHBondContact O-CB 3.45Å; K736-E739 PolarHBondContact O-N 2.98Å; K736-L740 PolarHBondContact O-N 2.84Å; K736-L740 VanDerWaalsContact O-N 3.16Å; K736-Y797 WeakPolarHBondContact CE-OH 3.39Å; K736-Y797 HydrophobicContact CG-CD1 4.1Å; K736-Y797 HydrophobicContact CG-CE1 3.74Å
737	R	77.1	Confident	69.2	Low	45 Å²	45	74.3 Å²	74.3	17%	0.17	39%	0.392	C	S	.	.	H	α-helix	trans	-48.3	-49.9	173.7	178.9	-178	174.7	142.4	1.8	112.3	E739 L740 V741 E766 D770 P796 I798	R737-E739 VanDerWaalsContact C-N 3.3Å; R737-E739 PolarHBondContact O-N 2.72Å; R737-L740 PolarHBondContact O-N 3.26Å; R737-V741 WeakPolarHBondContact O-CG2 2.84Å; R737-V741 PolarHBondContact O-N 2.91Å; R737-V741 VanDerWaalsContact O-N 3.15Å; R737-E766 PolarHBondContact NH2-O 3.35Å; R737-D770 IonicContact CZ-OD1 3.66Å; R737-D770 IonicContact CZ-OD2 3.9Å; R737-D770 IonicContact NH1-OD1 3.56Å; R737-D770 PolarHBondContact NH1-OD1 3.09Å; R737-D770 IonicContact NH1-OD2 2.65Å; R737-D770 VanDerWaalsContact NH2-CG 3.33Å; R737-D770 IonicContact NH2-OD1 2.85Å; R737-D770 PolarHBondContact NH2-OD1 3.5Å; R737-D770 IonicContact NH2-OD2 3.81Å; R737-D770 PolarHBondContact NH2-OD2 3.03Å; R737-P796 PolarHBondContact N-O 3.03Å; R737-I798 HydrophobicContact CB-CD1 3.87Å; R737-I798 HydrophobicContact CB-CG1 4.45Å; R737-I798 HydrophobicContact CG-CD1 4.18Å
738	S	78.5	Confident	70.5	Confident	40 Å²	40	65 Å²	65	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-33.6	179.2	47.3	0	0	0	0	114.1	K736 V741 N742 D795	K736-S738 VanDerWaalsContact C-N 3.29Å; K736-S738 PolarHBondContact O-N 2.64Å; S738-V741 PolarHBondContact O-N 2.8Å; S738-N742 WeakPolarHBondContact O-CB 3.35Å; S738-N742 PolarHBondContact O-N 2.95Å; S738-N742 PolarHBondContact O-ND2 3.17Å; S738-N742 PolarHBondContact O-OD1 2.87Å; S738-D795 WeakPolarHBondContact CB-OD1 3.29Å; S738-D795 WeakPolarHBondContact CB-OD2 3.11Å; S738-D795 PolarHBondContact N-OD1 3.31Å; S738-D795 VanDerWaalsContact OG-CG 3.22Å; S738-D795 PolarHBondContact OG-OD1 3.08Å; S738-D795 PolarHBondContact OG-OD2 3.01Å
739	E	82.4	Confident	71.9	Confident	85 Å²	85	64 Å²	64	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-72.4	-39.6	-180	-165.9	170.4	-161.3	0	0	112	W718 K736 R737 V741 N742 W743	W718-E739 VanDerWaalsContact CH2-CD 3.41Å; W718-E739 HydrophobicContact CH2-CG 3.62Å; W718-E739 VanDerWaalsContact CH2-OE1 3.23Å; W718-E739 WeakPolarHBondContact CH2-OE1 3.35Å; W718-E739 HydrophobicContact CZ3-CG 3.86Å; W718-E739 WeakPolarHBondContact CZ3-OE1 3.42Å; K736-E739 HydrophobicContact CB-CB 4.33Å; K736-E739 WeakPolarHBondContact O-CB 3.45Å; K736-E739 PolarHBondContact O-N 2.98Å; R737-E739 VanDerWaalsContact C-N 3.3Å; R737-E739 PolarHBondContact O-N 2.72Å; E739-V741 VanDerWaalsContact C-N 3.34Å; E739-N742 PolarHBondContact O-N 3.04Å; E739-W743 WeakPolarHBondContact O-CB 3.49Å; E739-W743 PolarHBondContact O-N 2.87Å
740	L	80	Confident	73.4	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-40.3	174.3	-155.4	101.7	0	0	0	111.6	L711 A715 P735 K736 R737 Y744 I769	L711-L740 HydrophobicContact CB-CD2 4.24Å; L711-L740 HydrophobicContact CD2-CD2 3.73Å; L711-L740 HydrophobicContact CD2-CG 4.16Å; L711-L740 HydrophobicContact CG-CD2 4.39Å; A715-L740 HydrophobicContact CB-CD1 4.15Å; P735-L740 HydrophobicContact CB-CD1 4.27Å; P735-L740 HydrophobicContact CG-CD1 3.95Å; K736-L740 PolarHBondContact O-N 2.84Å; K736-L740 VanDerWaalsContact O-N 3.16Å; R737-L740 PolarHBondContact O-N 3.26Å; L740-Y744 PolarHBondContact O-N 3.02Å; L740-I769 HydrophobicContact CD2-CD1 4.01Å; L740-I769 HydrophobicContact CD2-CG1 4.39Å
741	V	82	Confident	74.6	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-47.5	175.2	174	0	0	0	0	110.5	R737 S738 E739 W743 Y744 L745 K762 V765 E766 I769	R737-V741 WeakPolarHBondContact O-CG2 2.84Å; R737-V741 PolarHBondContact O-N 2.91Å; R737-V741 VanDerWaalsContact O-N 3.15Å; S738-V741 PolarHBondContact O-N 2.8Å; E739-V741 VanDerWaalsContact C-N 3.34Å; V741-W743 VanDerWaalsContact C-N 3.34Å; V741-W743 PolarHBondContact O-N 3.07Å; V741-Y744 PolarHBondContact O-N 3.5Å; V741-L745 HydrophobicContact CG1-CD1 3.99Å; V741-L745 HydrophobicContact CG1-CG 4.38Å; V741-L745 VanDerWaalsContact O-CG 3.3Å; V741-L745 WeakPolarHBondContact O-CG 3.34Å; V741-L745 PolarHBondContact O-N 3.31Å; V741-K762 HydrophobicContact CG1-CG 4.09Å; V741-V765 HydrophobicContact CG2-CG1 4.2Å; V741-E766 HydrophobicContact CG2-CG 4.14Å; V741-I769 HydrophobicContact CG2-CD1 3.54Å
742	N	82.8	Confident	75.3	Confident	83 Å²	83	60.8 Å²	60.8	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-41.5	179.8	-71.5	-18.2	0	0	0	112.2	S738 E739 Y744 L745 E746	S738-N742 WeakPolarHBondContact O-CB 3.35Å; S738-N742 PolarHBondContact O-N 2.95Å; S738-N742 PolarHBondContact O-ND2 3.17Å; S738-N742 PolarHBondContact O-OD1 2.87Å; E739-N742 PolarHBondContact O-N 3.04Å; N742-Y744 VanDerWaalsContact C-N 3.34Å; N742-Y744 PolarHBondContact O-N 3.3Å; N742-L745 PolarHBondContact O-N 3.44Å; N742-E746 PolarHBondContact O-N 3.19Å
743	W	83.9	Confident	75.9	Confident	51 Å²	51	67.1 Å²	67.1	19%	0.193	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-44.1	176	173.6	71.8	0	0	0	112.2	K714 E739 V741 L745 E746 E747	K714-W743 HydrophobicContact CB-CE3 4.11Å; K714-W743 HydrophobicContact CB-CH2 3.83Å; K714-W743 HydrophobicContact CB-CZ2 4.3Å; K714-W743 HydrophobicContact CB-CZ3 3.72Å; K714-W743 HydrophobicContact CD-CD2 4.18Å; K714-W743 HydrophobicContact CD-CH2 4.15Å; K714-W743 HydrophobicContact CD-CZ2 3.74Å; K714-W743 HydrophobicContact CG-CD2 3.78Å; K714-W743 HydrophobicContact CG-CE3 3.78Å; K714-W743 HydrophobicContact CG-CH2 3.94Å; K714-W743 HydrophobicContact CG-CZ2 3.95Å; K714-W743 HydrophobicContact CG-CZ3 3.86Å; E739-W743 WeakPolarHBondContact O-CB 3.49Å; E739-W743 PolarHBondContact O-N 2.87Å; V741-W743 VanDerWaalsContact C-N 3.34Å; V741-W743 PolarHBondContact O-N 3.07Å; W743-L745 VanDerWaalsContact C-N 3.3Å; W743-L745 PolarHBondContact O-N 3.14Å; W743-E746 PolarHBondContact O-N 2.83Å; W743-E747 WeakPolarHBondContact CH2-OE2 3.48Å; W743-E747 VanDerWaalsContact CZ2-OE2 3.24Å; W743-E747 WeakPolarHBondContact CZ2-OE2 3.43Å; W743-E747 PolarHBondContact O-N 3.44Å; W743-E747 VanDerWaalsContact O-N 3.15Å
744	Y	81.7	Confident	76.7	Confident	22 Å²	22	68.5 Å²	68.5	9%	0.086	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-37.1	176.9	-176.3	-90.5	0	0	0	111.6	I707 L711 L740 V741 N742 E747 V748 V761 V765	I707-Y744 HydrophobicContact CB-CE2 4.49Å; I707-Y744 HydrophobicContact CG1-CE2 4.28Å; I707-Y744 WeakPolarHBondContact CG1-OH 3.5Å; I707-Y744 HydrophobicContact CG2-CE2 3.92Å; L711-Y744 HydrophobicContact CD2-CD2 4.14Å; L711-Y744 HydrophobicContact CD2-CG 4.35Å; L740-Y744 PolarHBondContact O-N 3.02Å; V741-Y744 PolarHBondContact O-N 3.5Å; N742-Y744 VanDerWaalsContact C-N 3.34Å; N742-Y744 PolarHBondContact O-N 3.3Å; Y744-E747 PolarHBondContact O-N 3.18Å; Y744-V748 HydrophobicContact CD1-CG2 4.25Å; Y744-V748 HydrophobicContact CE1-CG2 3.82Å; Y744-V748 HydrophobicContact CE2-CG2 4.15Å; Y744-V748 WeakPolarHBondContact O-CB 3.4Å; Y744-V748 VanDerWaalsContact O-CG2 3.22Å; Y744-V748 WeakPolarHBondContact O-CG2 3.46Å; Y744-V748 PolarHBondContact O-N 3.13Å; Y744-V761 HydrophobicContact CD1-CG1 4.43Å; Y744-V761 HydrophobicContact CE1-CG1 3.84Å; Y744-V765 HydrophobicContact CD1-CB 4.44Å; Y744-V765 HydrophobicContact CD1-CG1 4.34Å; Y744-V765 HydrophobicContact CD1-CG2 3.34Å; Y744-V765 HydrophobicContact CE1-CG2 3.39Å; Y744-V765 HydrophobicContact CG-CG2 4.2Å
745	L	81.1	Confident	77.3	Confident	22 Å²	22	76.3 Å²	76.3	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-64.4	-41.3	175.1	-65.8	172.3	0	0	0	111.5	V741 N742 W743 V748 V749 L758 V761 K762	V741-L745 HydrophobicContact CG1-CD1 3.99Å; V741-L745 HydrophobicContact CG1-CG 4.38Å; V741-L745 VanDerWaalsContact O-CG 3.3Å; V741-L745 WeakPolarHBondContact O-CG 3.34Å; V741-L745 PolarHBondContact O-N 3.31Å; N742-L745 PolarHBondContact O-N 3.44Å; W743-L745 VanDerWaalsContact C-N 3.3Å; W743-L745 PolarHBondContact O-N 3.14Å; L745-V748 PolarHBondContact O-N 3.28Å; L745-V749 WeakPolarHBondContact O-CG2 3.39Å; L745-V749 PolarHBondContact O-N 2.93Å; L745-L758 HydrophobicContact CB-CD2 4.48Å; L745-L758 HydrophobicContact CD2-CD2 3.87Å; L745-V761 HydrophobicContact CD2-CG1 4.24Å; L745-K762 HydrophobicContact CD1-CB 4.24Å; L745-K762 HydrophobicContact CD1-CD 4.27Å; L745-K762 HydrophobicContact CD1-CG 4.16Å; L745-K762 HydrophobicContact CD2-CB 4.14Å
746	E	82.6	Confident	77.5	Confident	143 Å²	143	79.2 Å²	79.2	67%	0.668	40%	0.398	S	S	*	.	H	α-helix	trans	-60.8	-41.9	176.9	-76.6	179.8	-179.3	0	0	113.2	N742 W743 V748	N742-E746 PolarHBondContact O-N 3.19Å; W743-E746 PolarHBondContact O-N 2.83Å; E746-V748 VanDerWaalsContact C-N 3.25Å; E746-V748 PolarHBondContact O-N 3.47Å
747	E	79.3	Confident	77.2	Confident	96 Å²	96	78.5 Å²	78.5	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-28.7	179.4	-167.5	174.6	-163.8	0	0	112.3	W743 Y744	W743-E747 WeakPolarHBondContact CH2-OE2 3.48Å; W743-E747 VanDerWaalsContact CZ2-OE2 3.24Å; W743-E747 WeakPolarHBondContact CZ2-OE2 3.43Å; W743-E747 PolarHBondContact O-N 3.44Å; W743-E747 VanDerWaalsContact O-N 3.15Å; Y744-E747 PolarHBondContact O-N 3.18Å
748	V	73.4	Confident	76.9	Confident	14 Å²	14	79.3 Å²	79.3	9%	0.085	40%	0.403	C	S	.	.	H	α-helix	trans	-101.5	-4.3	-172.5	-174.9	0	0	0	0	112.3	Y744 L745 E746 D750 E751 F752	Y744-V748 HydrophobicContact CD1-CG2 4.25Å; Y744-V748 HydrophobicContact CE1-CG2 3.82Å; Y744-V748 HydrophobicContact CE2-CG2 4.15Å; Y744-V748 WeakPolarHBondContact O-CB 3.4Å; Y744-V748 VanDerWaalsContact O-CG2 3.22Å; Y744-V748 WeakPolarHBondContact O-CG2 3.46Å; Y744-V748 PolarHBondContact O-N 3.13Å; L745-V748 PolarHBondContact O-N 3.28Å; E746-V748 VanDerWaalsContact C-N 3.25Å; E746-V748 PolarHBondContact O-N 3.47Å; V748-D750 PolarHBondContact O-N 3.2Å; V748-E751 HydrophobicContact CG1-CB 4.41Å; V748-E751 PolarHBondContact O-N 3.37Å; V748-F752 HydrophobicContact CG1-CD2 3.63Å; V748-F752 HydrophobicContact CG1-CE2 3.3Å; V748-F752 HydrophobicContact CG1-CZ 4.46Å
749	V	74	Confident	76.9	Confident	73 Å²	73	80 Å²	80	44%	0.442	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-57.1	-34.1	176.5	171.3	0	0	0	0	112	L745 E751	L745-V749 WeakPolarHBondContact O-CG2 3.39Å; L745-V749 PolarHBondContact O-N 2.93Å; V749-E751 PolarHBondContact O-N 3.37Å
750	D	74.3	Confident	76.6	Confident	158 Å²	158	81.7 Å²	81.7	85%	0.845	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.9	-179.4	-72.3	-18.7	0	0	0	113.3	V748	V748-D750 PolarHBondContact O-N 3.2Å
751	E	70.2	Confident	76.4	Confident	149 Å²	149	82.4 Å²	82.4	70%	0.696	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-93.2	-17.2	-177	-62.3	-166.1	155.2	0	0	114	V748 V749	V748-E751 HydrophobicContact CG1-CB 4.41Å; V748-E751 PolarHBondContact O-N 3.37Å; V749-E751 PolarHBondContact O-N 3.37Å
752	F	66.7	Low	76.4	Confident	72 Å²	72	86.6 Å²	86.6	32%	0.316	44%	0.442	S	S	.	.			trans	-126.8	121.7	-170.9	-63	-63.5	0	0	0	113.9	V748 Q757 V761	V748-F752 HydrophobicContact CG1-CD2 3.63Å; V748-F752 HydrophobicContact CG1-CE2 3.3Å; V748-F752 HydrophobicContact CG1-CZ 4.46Å; F752-Q757 HydrophobicContact CB-CB 4.32Å; F752-Q757 HydrophobicContact CD1-CB 4.14Å; F752-Q757 HydrophobicContact CG-CB 4.3Å; F752-V761 HydrophobicContact CD2-CG2 4.42Å; F752-V761 HydrophobicContact CE2-CG2 3.84Å; F752-V761 HydrophobicContact CZ-CG2 4.21Å
753	E	66.9	Low	76.3	Confident	199 Å²	199	86.6 Å²	86.6	93%	0.93	44%	0.441	S	S	*	.			trans	-84.1	-10.1	-178.9	-62.6	-179.4	167.6	0	0	113.8
754	T	77.3	Confident	76.1	Confident	73 Å²	73	85.6 Å²	85.6	45%	0.448	44%	0.44	S	S	.	.			trans	-122.6	133	-169.1	-31.7	0	0	0	0	113.2	A756 Q757 L758	T754-A756 VanDerWaalsContact C-N 3.26Å; T754-A756 HydrophobicContact CG2-CB 4.44Å; T754-A756 PolarHBondContact O-N 2.89Å; T754-Q757 PolarHBondContact O-N 2.96Å; T754-Q757 VanDerWaalsContact O-N 3.13Å; T754-L758 PolarHBondContact O-N 2.99Å
755	E	77.2	Confident	76	Confident	177 Å²	177	84.6 Å²	84.6	83%	0.827	44%	0.436	S	S	*	.	H	α-helix	trans	-59.2	-32.8	178.4	-168.8	178.1	-178.1	0	0	113.3	Q757 L758 A759	E755-Q757 PolarHBondContact O-N 3.49Å; E755-L758 WeakPolarHBondContact O-CB 3.19Å; E755-L758 PolarHBondContact O-N 3.21Å; E755-A759 PolarHBondContact O-N 2.98Å; E755-A759 VanDerWaalsContact O-N 3.15Å
756	A	77.5	Confident	76.1	Confident	63 Å²	63	86.3 Å²	86.3	52%	0.521	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-38.3	177.1	0	0	0	0	0	112.9	T754 L758 A759 E760	T754-A756 VanDerWaalsContact C-N 3.26Å; T754-A756 HydrophobicContact CG2-CB 4.44Å; T754-A756 PolarHBondContact O-N 2.89Å; A756-L758 VanDerWaalsContact C-N 3.3Å; A756-A759 PolarHBondContact O-N 3.08Å; A756-E760 PolarHBondContact O-N 3.35Å; A756-E760 VanDerWaalsContact O-N 3.14Å
757	Q	72.3	Confident	75.9	Confident	75 Å²	75	82.7 Å²	82.7	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-36.3	177.3	-67.4	171.1	-15.6	0	0	110.7	F752 T754 E755 A759 E760 V761	F752-Q757 HydrophobicContact CB-CB 4.32Å; F752-Q757 HydrophobicContact CD1-CB 4.14Å; F752-Q757 HydrophobicContact CG-CB 4.3Å; T754-Q757 PolarHBondContact O-N 2.96Å; T754-Q757 VanDerWaalsContact O-N 3.13Å; E755-Q757 PolarHBondContact O-N 3.49Å; Q757-A759 VanDerWaalsContact C-N 3.35Å; Q757-A759 PolarHBondContact O-N 2.89Å; Q757-E760 PolarHBondContact O-N 3.45Å; Q757-V761 VanDerWaalsContact O-CG2 3.28Å; Q757-V761 WeakPolarHBondContact O-CG2 3.29Å; Q757-V761 PolarHBondContact O-N 3.32Å
758	L	72	Confident	76	Confident	61 Å²	61	78.1 Å²	78.1	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.8	-130.4	157.9	0	0	0	111.7	L745 T754 E755 A756 K762	L745-L758 HydrophobicContact CB-CD2 4.48Å; L745-L758 HydrophobicContact CD2-CD2 3.87Å; T754-L758 PolarHBondContact O-N 2.99Å; E755-L758 WeakPolarHBondContact O-CB 3.19Å; E755-L758 PolarHBondContact O-N 3.21Å; A756-L758 VanDerWaalsContact C-N 3.3Å; L758-K762 WeakPolarHBondContact O-CB 3.36Å; L758-K762 PolarHBondContact O-N 2.87Å
759	A	77.7	Confident	76.3	Confident	55 Å²	55	77.4 Å²	77.4	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-68.1	-39.2	175.3	0	0	0	0	0	112.9	E755 A756 Q757 K762 L763	E755-A759 PolarHBondContact O-N 2.98Å; E755-A759 VanDerWaalsContact O-N 3.15Å; A756-A759 PolarHBondContact O-N 3.08Å; Q757-A759 VanDerWaalsContact C-N 3.35Å; Q757-A759 PolarHBondContact O-N 2.89Å; A759-K762 PolarHBondContact O-N 3.38Å; A759-L763 PolarHBondContact O-N 3.37Å; A759-L763 VanDerWaalsContact O-N 3.14Å
760	E	75.4	Confident	76.5	Confident	120 Å²	120	76.4 Å²	76.4	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-64.3	-44.2	175.2	-74	-178.5	174	0	0	111.8	A756 Q757 L763 L764	A756-E760 PolarHBondContact O-N 3.35Å; A756-E760 VanDerWaalsContact O-N 3.14Å; Q757-E760 PolarHBondContact O-N 3.45Å; E760-L763 PolarHBondContact O-N 3.47Å; E760-L764 VanDerWaalsContact O-CB 3.32Å; E760-L764 WeakPolarHBondContact O-CB 3.28Å; E760-L764 PolarHBondContact O-N 3.28Å
761	V	76.2	Confident	76.5	Confident	22 Å²	22	71.5 Å²	71.5	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-40.2	177.2	173.3	0	0	0	0	111	Y744 L745 F752 Q757 L763 L764 V765	Y744-V761 HydrophobicContact CD1-CG1 4.43Å; Y744-V761 HydrophobicContact CE1-CG1 3.84Å; L745-V761 HydrophobicContact CD2-CG1 4.24Å; F752-V761 HydrophobicContact CD2-CG2 4.42Å; F752-V761 HydrophobicContact CE2-CG2 3.84Å; F752-V761 HydrophobicContact CZ-CG2 4.21Å; Q757-V761 VanDerWaalsContact O-CG2 3.28Å; Q757-V761 WeakPolarHBondContact O-CG2 3.29Å; Q757-V761 PolarHBondContact O-N 3.32Å; V761-L763 PolarHBondContact O-N 3Å; V761-L764 WeakPolarHBondContact O-CB 3.47Å; V761-L764 PolarHBondContact O-N 3.28Å; V761-V765 HydrophobicContact CG1-CG2 4.19Å; V761-V765 WeakPolarHBondContact O-CG2 3.01Å; V761-V765 PolarHBondContact O-N 2.99Å
762	K	82	Confident	76.8	Confident	90 Å²	90	64.4 Å²	64.4	39%	0.391	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-49.1	175	-177.8	178.7	176.6	-178.9	0	112	V741 L745 L758 A759 L764 V765 E766	V741-K762 HydrophobicContact CG1-CG 4.09Å; L745-K762 HydrophobicContact CD1-CB 4.24Å; L745-K762 HydrophobicContact CD1-CD 4.27Å; L745-K762 HydrophobicContact CD1-CG 4.16Å; L745-K762 HydrophobicContact CD2-CB 4.14Å; L758-K762 WeakPolarHBondContact O-CB 3.36Å; L758-K762 PolarHBondContact O-N 2.87Å; A759-K762 PolarHBondContact O-N 3.38Å; K762-L764 VanDerWaalsContact C-N 3.3Å; K762-L764 PolarHBondContact O-N 2.96Å; K762-V765 PolarHBondContact O-N 3.24Å; K762-E766 WeakPolarHBondContact CE-OE1 3.46Å; K762-E766 WeakPolarHBondContact O-CG 3.36Å; K762-E766 PolarHBondContact O-N 2.93Å
763	L	80.9	Confident	77.3	Confident	84 Å²	84	62.4 Å²	62.4	44%	0.44	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-40.3	176.3	-86.7	161.8	0	0	0	112.1	A759 E760 V761 R767	A759-L763 PolarHBondContact O-N 3.37Å; A759-L763 VanDerWaalsContact O-N 3.14Å; E760-L763 PolarHBondContact O-N 3.47Å; V761-L763 PolarHBondContact O-N 3Å; L763-R767 WeakPolarHBondContact O-CG 3.39Å; L763-R767 PolarHBondContact O-N 3.36Å; L763-R767 VanDerWaalsContact O-N 3.12Å
764	L	79.3	Confident	77.6	Confident	30 Å²	30	60.7 Å²	60.7	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-49.1	177.6	-169.1	166.6	0	0	0	110.7	V699 I707 E760 V761 K762 R767 I768	V699-L764 HydrophobicContact CG1-CD2 4.39Å; V699-L764 HydrophobicContact CG2-CD1 3.55Å; V699-L764 HydrophobicContact CG2-CD2 3.83Å; V699-L764 HydrophobicContact CG2-CG 3.5Å; V699-L764 VanDerWaalsContact CG2-CG 3.5Å; I707-L764 HydrophobicContact CD1-CD2 4.03Å; E760-L764 VanDerWaalsContact O-CB 3.32Å; E760-L764 WeakPolarHBondContact O-CB 3.28Å; E760-L764 PolarHBondContact O-N 3.28Å; V761-L764 WeakPolarHBondContact O-CB 3.47Å; V761-L764 PolarHBondContact O-N 3.28Å; K762-L764 VanDerWaalsContact C-N 3.3Å; K762-L764 PolarHBondContact O-N 2.96Å; L764-R767 PolarHBondContact O-N 3.22Å; L764-I768 HydrophobicContact CD2-CD1 3.29Å; L764-I768 HydrophobicContact CD2-CG1 3.94Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 3.41Å
765	V	80.8	Confident	77.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-42.7	-178.9	175.6	0	0	0	0	111.5	L711 V741 Y744 V761 K762 R767 I768 I769	L711-V765 HydrophobicContact CD1-CG1 4.41Å; V741-V765 HydrophobicContact CG2-CG1 4.2Å; Y744-V765 HydrophobicContact CD1-CB 4.44Å; Y744-V765 HydrophobicContact CD1-CG1 4.34Å; Y744-V765 HydrophobicContact CD1-CG2 3.34Å; Y744-V765 HydrophobicContact CE1-CG2 3.39Å; Y744-V765 HydrophobicContact CG-CG2 4.2Å; V761-V765 HydrophobicContact CG1-CG2 4.19Å; V761-V765 WeakPolarHBondContact O-CG2 3.01Å; V761-V765 PolarHBondContact O-N 2.99Å; K762-V765 PolarHBondContact O-N 3.24Å; V765-R767 VanDerWaalsContact C-N 3.31Å; V765-R767 PolarHBondContact O-N 3.05Å; V765-I768 PolarHBondContact O-N 2.69Å; V765-I769 HydrophobicContact CG1-CD1 4.07Å; V765-I769 WeakPolarHBondContact O-CG1 3.22Å; V765-I769 PolarHBondContact O-N 3.01Å
766	E	82.3	Confident	76.6	Confident	59 Å²	59	56.7 Å²	56.7	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-43.8	175.4	-77.8	176.8	-175.5	0	0	111.6	R737 V741 K762 I769 D770	R737-E766 PolarHBondContact NH2-O 3.35Å; V741-E766 HydrophobicContact CG2-CG 4.14Å; K762-E766 WeakPolarHBondContact CE-OE1 3.46Å; K762-E766 WeakPolarHBondContact O-CG 3.36Å; K762-E766 PolarHBondContact O-N 2.93Å; E766-I769 PolarHBondContact O-N 2.96Å; E766-D770 PolarHBondContact O-N 2.96Å
767	R	79.5	Confident	76.2	Confident	66 Å²	66	58.9 Å²	58.9	25%	0.249	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-33.7	176.6	-70.2	-178.3	175.4	-161.5	-3.5	112.8	L666 E667 L763 L764 V765 D770 R771	L666-R767 HydrophobicContact CB-CB 4.19Å; L666-R767 HydrophobicContact CD1-CB 4.01Å; L666-R767 HydrophobicContact CD2-CB 3.96Å; L666-R767 HydrophobicContact CG-CB 4.27Å; E667-R767 IonicContact OE1-CZ 3.67Å; E667-R767 VanDerWaalsContact OE1-CZ 3.22Å; E667-R767 IonicContact OE1-NH1 2.82Å; E667-R767 PolarHBondContact OE1-NH1 3.48Å; E667-R767 IonicContact OE1-NH2 3.61Å; E667-R767 PolarHBondContact OE1-NH2 2.94Å; L763-R767 WeakPolarHBondContact O-CG 3.39Å; L763-R767 PolarHBondContact O-N 3.36Å; L763-R767 VanDerWaalsContact O-N 3.12Å; L764-R767 PolarHBondContact O-N 3.22Å; V765-R767 VanDerWaalsContact C-N 3.31Å; V765-R767 PolarHBondContact O-N 3.05Å; R767-D770 PolarHBondContact O-N 3.04Å; R767-R771 WeakPolarHBondContact O-CB 3.31Å; R767-R771 PolarHBondContact O-N 3.31Å
768	I	79.5	Confident	76.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-44.6	172.3	-73.8	-176.7	0	0	0	110.4	Y704 I707 L711 L764 V765 D770 R771 L772	Y704-I768 HydrophobicContact CD2-CB 4.47Å; Y704-I768 HydrophobicContact CD2-CD1 3.87Å; Y704-I768 HydrophobicContact CD2-CG1 3.77Å; Y704-I768 HydrophobicContact CD2-CG2 4.1Å; Y704-I768 HydrophobicContact CE2-CB 4.28Å; Y704-I768 HydrophobicContact CE2-CG1 4.01Å; Y704-I768 HydrophobicContact CE2-CG2 3.79Å; I707-I768 HydrophobicContact CB-CD1 4.17Å; I707-I768 HydrophobicContact CD1-CD1 3.96Å; I707-I768 HydrophobicContact CG2-CD1 3.93Å; I707-I768 HydrophobicContact CG2-CG2 4.45Å; L711-I768 HydrophobicContact CD1-CG2 4.28Å; L764-I768 HydrophobicContact CD2-CD1 3.29Å; L764-I768 HydrophobicContact CD2-CG1 3.94Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 3.41Å; V765-I768 PolarHBondContact O-N 2.69Å; I768-D770 VanDerWaalsContact C-N 3.35Å; I768-D770 PolarHBondContact O-N 3.3Å; I768-R771 PolarHBondContact O-N 3.43Å; I768-L772 HydrophobicContact CG2-CD1 3.82Å; I768-L772 HydrophobicContact CG2-CG 4.28Å; I768-L772 WeakPolarHBondContact O-CG 3.37Å; I768-L772 PolarHBondContact O-N 3.42Å
769	I	79.7	Confident	76.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-45.4	176.9	-68.6	167.7	0	0	0	110.3	L711 L740 V741 V765 E766 R771 L772 I773 I798	L711-I769 HydrophobicContact CD1-CG1 4.26Å; L740-I769 HydrophobicContact CD2-CD1 4.01Å; L740-I769 HydrophobicContact CD2-CG1 4.39Å; V741-I769 HydrophobicContact CG2-CD1 3.54Å; V765-I769 HydrophobicContact CG1-CD1 4.07Å; V765-I769 WeakPolarHBondContact O-CG1 3.22Å; V765-I769 PolarHBondContact O-N 3.01Å; E766-I769 PolarHBondContact O-N 2.96Å; I769-R771 VanDerWaalsContact C-N 3.26Å; I769-R771 PolarHBondContact O-N 3.1Å; I769-L772 PolarHBondContact O-N 2.83Å; I769-I773 HydrophobicContact CG2-CD1 3.7Å; I769-I773 HydrophobicContact CG2-CG1 4.44Å; I769-I773 VanDerWaalsContact O-CG1 3.27Å; I769-I773 WeakPolarHBondContact O-CG1 3.45Å; I769-I773 PolarHBondContact O-N 3.17Å; I769-I798 HydrophobicContact CG2-CD1 3.72Å
770	D	78.5	Confident	76.2	Confident	52 Å²	52	54.3 Å²	54.3	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-36.6	176.4	-75.5	-38.4	0	0	0	112.5	R737 E766 R767 I768 I773 K774	R737-D770 IonicContact CZ-OD1 3.66Å; R737-D770 IonicContact CZ-OD2 3.9Å; R737-D770 IonicContact NH1-OD1 3.56Å; R737-D770 PolarHBondContact NH1-OD1 3.09Å; R737-D770 IonicContact NH1-OD2 2.65Å; R737-D770 VanDerWaalsContact NH2-CG 3.33Å; R737-D770 IonicContact NH2-OD1 2.85Å; R737-D770 PolarHBondContact NH2-OD1 3.5Å; R737-D770 IonicContact NH2-OD2 3.81Å; R737-D770 PolarHBondContact NH2-OD2 3.03Å; E766-D770 PolarHBondContact O-N 2.96Å; R767-D770 PolarHBondContact O-N 3.04Å; I768-D770 VanDerWaalsContact C-N 3.35Å; I768-D770 PolarHBondContact O-N 3.3Å; D770-I773 PolarHBondContact O-N 3.02Å; D770-K774 WeakPolarHBondContact O-CB 3.39Å; D770-K774 WeakPolarHBondContact O-CG 3.31Å; D770-K774 PolarHBondContact O-N 3.15Å
771	R	74	Confident	76	Confident	54 Å²	54	51.4 Å²	51.4	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-71.3	-39.1	176	-170.1	166.6	-176.6	-116.3	7.8	112.8	I664 Y704 R767 I768 I769 I773 K775 D776	I664-R771 VanDerWaalsContact CG2-CD 3.48Å; I664-R771 VanDerWaalsContact CG2-NE 3.33Å; Y704-R771 VanDerWaalsContact CZ-NH1 3.35Å; R767-R771 WeakPolarHBondContact O-CB 3.31Å; R767-R771 PolarHBondContact O-N 3.31Å; I768-R771 PolarHBondContact O-N 3.43Å; I769-R771 VanDerWaalsContact C-N 3.26Å; I769-R771 PolarHBondContact O-N 3.1Å; R771-I773 VanDerWaalsContact C-N 3.25Å; R771-I773 PolarHBondContact O-N 3.03Å; R771-K775 HydrophobicContact CG-CB 4.09Å; R771-K775 HydrophobicContact CG-CD 4.17Å; R771-K775 HydrophobicContact CG-CG 4.34Å; R771-K775 PolarHBondContact O-N 3.05Å; R771-D776 PolarHBondContact O-N 3.26Å
772	L	77.5	Confident	75.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-30.8	174.8	-73.2	169.7	0	0	0	112.2	A708 I768 I769 D776 N777 I778 L779	A708-L772 HydrophobicContact CB-CD1 4.22Å; A708-L772 HydrophobicContact CB-CD2 4.09Å; I768-L772 HydrophobicContact CG2-CD1 3.82Å; I768-L772 HydrophobicContact CG2-CG 4.28Å; I768-L772 WeakPolarHBondContact O-CG 3.37Å; I768-L772 PolarHBondContact O-N 3.42Å; I769-L772 PolarHBondContact O-N 2.83Å; L772-D776 HydrophobicContact CD2-CB 4.43Å; L772-N777 PolarHBondContact O-N 2.83Å; L772-I778 HydrophobicContact CD2-CB 4.48Å; L772-I778 HydrophobicContact CD2-CD1 3.92Å; L772-I778 PolarHBondContact O-N 3.13Å; L772-I778 VanDerWaalsContact O-N 3.12Å; L772-L779 HydrophobicContact CB-CB 4.49Å; L772-L779 HydrophobicContact CB-CD1 3.71Å; L772-L779 HydrophobicContact CB-CG 4.09Å; L772-L779 HydrophobicContact CD1-CD1 3.85Å; L772-L779 HydrophobicContact CG-CD1 4.42Å; L772-L779 PolarHBondContact O-N 3.4Å
773	I	77.2	Confident	74.4	Confident	31 Å²	31	52 Å²	52	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-78.6	-50.2	175.4	-64.7	163.1	0	0	0	111.3	I769 D770 R771 N777 L779 T781	I769-I773 HydrophobicContact CG2-CD1 3.7Å; I769-I773 HydrophobicContact CG2-CG1 4.44Å; I769-I773 VanDerWaalsContact O-CG1 3.27Å; I769-I773 WeakPolarHBondContact O-CG1 3.45Å; I769-I773 PolarHBondContact O-N 3.17Å; D770-I773 PolarHBondContact O-N 3.02Å; R771-I773 VanDerWaalsContact C-N 3.25Å; R771-I773 PolarHBondContact O-N 3.03Å; I773-N777 PolarHBondContact O-OD1 3.02Å; I773-L779 HydrophobicContact CG1-CB 3.91Å; I773-T781 HydrophobicContact CD1-CG2 3.8Å; I773-T781 HydrophobicContact CG1-CG2 4.35Å; I773-T781 HydrophobicContact CG2-CG2 4.2Å
774	K	73.5	Confident	73	Confident	162 Å²	162	51.8 Å²	51.8	70%	0.704	28%	0.283	S	S	*	.	H	α-helix	trans	-86.8	-38.3	-169.8	-68.1	-178	179.1	-178.7	0	115	D770	D770-K774 WeakPolarHBondContact O-CB 3.39Å; D770-K774 WeakPolarHBondContact O-CG 3.31Å; D770-K774 PolarHBondContact O-N 3.15Å
775	K	67.4	Low	71.2	Confident	103 Å²	103	57.5 Å²	57.5	45%	0.448	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-47.4	-172.1	-67.8	-168.1	178.2	-177.8	0	112.2	R771	R771-K775 HydrophobicContact CG-CB 4.09Å; R771-K775 HydrophobicContact CG-CD 4.17Å; R771-K775 HydrophobicContact CG-CG 4.34Å; R771-K775 PolarHBondContact O-N 3.05Å
776	D	66.3	Low	69.6	Low	64 Å²	64	59.8 Å²	59.8	34%	0.342	34%	0.343	S	S	.	.	S	Bend	trans	-89.3	-14	-173.5	-62.3	-13.9	0	0	0	112.7	Y704 R771 L772 I778	Y704-D776 PolarHBondContact OH-OD2 3.45Å; R771-D776 PolarHBondContact O-N 3.26Å; L772-D776 HydrophobicContact CD2-CB 4.43Å; D776-I778 HydrophobicContact CB-CD1 3.76Å; D776-I778 HydrophobicContact CB-CG1 3.88Å; D776-I778 WeakPolarHBondContact O-CG1 3.11Å; D776-I778 PolarHBondContact O-N 3.36Å; D776-I778 VanDerWaalsContact O-N 3.08Å
777	N	67.8	Low	67.9	Low	109 Å²	109	65.7 Å²	65.7	58%	0.583	38%	0.375	S	S	*	.			trans	51.4	27.1	-178.6	-64	-27.2	0	0	0	114.2	L772 I773	L772-N777 PolarHBondContact O-N 2.83Å; I773-N777 PolarHBondContact O-OD1 3.02Å
778	I	74.7	Confident	66.3	Low	23 Å²	23	69.4 Å²	69.4	12%	0.118	40%	0.4	C	S	.	.			trans	-82.6	-32.7	-179.4	-60.6	171.5	0	0	0	110.2	I712 L772 D776 H801 Y804	I712-I778 HydrophobicContact CD1-CD1 4.35Å; I712-I778 HydrophobicContact CD1-CG2 3.73Å; I712-I778 HydrophobicContact CG1-CG2 3.94Å; L772-I778 HydrophobicContact CD2-CB 4.48Å; L772-I778 HydrophobicContact CD2-CD1 3.92Å; L772-I778 PolarHBondContact O-N 3.13Å; L772-I778 VanDerWaalsContact O-N 3.12Å; D776-I778 HydrophobicContact CB-CD1 3.76Å; D776-I778 HydrophobicContact CB-CG1 3.88Å; D776-I778 WeakPolarHBondContact O-CG1 3.11Å; D776-I778 PolarHBondContact O-N 3.36Å; D776-I778 VanDerWaalsContact O-N 3.08Å; I778-H801 WeakPolarHBondContact O-CB 3.42Å; I778-H801 PolarHBondContact O-N 3.18Å; I778-Y804 HydrophobicContact CB-CD2 4.5Å; I778-Y804 HydrophobicContact CD1-CD2 4.34Å; I778-Y804 HydrophobicContact CD1-CE2 3.79Å; I778-Y804 HydrophobicContact CG1-CD2 3.97Å; I778-Y804 HydrophobicContact CG1-CE2 3.94Å; I778-Y804 HydrophobicContact CG2-CD1 4.42Å; I778-Y804 HydrophobicContact CG2-CD2 3.91Å; I778-Y804 HydrophobicContact CG2-CE2 4.1Å; I778-Y804 HydrophobicContact CG2-CG 4.07Å
779	L	73.1	Confident	64.6	Low	3 Å²	3	74.2 Å²	74.2	2%	0.016	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.8	-179.4	-64.5	178	0	0	0	110	L772 I773 I798 V800	L772-L779 HydrophobicContact CB-CB 4.49Å; L772-L779 HydrophobicContact CB-CD1 3.71Å; L772-L779 HydrophobicContact CB-CG 4.09Å; L772-L779 HydrophobicContact CD1-CD1 3.85Å; L772-L779 HydrophobicContact CG-CD1 4.42Å; L772-L779 PolarHBondContact O-N 3.4Å; I773-L779 HydrophobicContact CG1-CB 3.91Å; L779-I798 HydrophobicContact CB-CG2 3.76Å; L779-I798 HydrophobicContact CD1-CG2 3.95Å; L779-I798 HydrophobicContact CD2-CG2 3.78Å; L779-I798 HydrophobicContact CG-CG2 4.02Å; L779-V800 HydrophobicContact CD2-CG2 4.1Å
780	I	75.4	Confident	62.7	Low	69 Å²	69	80 Å²	80	35%	0.354	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134	176.2	-52.1	172.3	0	0	0	108.2	V799 H801	I780-V799 PolarHBondContact N-O 2.78Å; I780-V799 PolarHBondContact O-N 2.94Å; I780-H801 HydrophobicContact CD1-CB 4.05Å; I780-H801 VanDerWaalsContact CD1-CD2 3.46Å; I780-H801 WeakPolarHBondContact CD1-CD2 3.4Å; I780-H801 HydrophobicContact CG1-CB 4.12Å
781	T	69.9	Low	60.9	Low	59 Å²	59	81 Å²	81	36%	0.362	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120	168.2	50	0	0	0	0	110	I773 G783 P796 Y797	I773-T781 HydrophobicContact CD1-CG2 3.8Å; I773-T781 HydrophobicContact CG1-CG2 4.35Å; I773-T781 HydrophobicContact CG2-CG2 4.2Å; T781-G783 PolarHBondContact O-N 2.83Å; T781-P796 HydrophobicContact CG2-CB 3.9Å; T781-P796 HydrophobicContact CG2-CG 3.82Å; T781-Y797 CarbonylContact C-O 3.59Å; T781-Y797 VanDerWaalsContact CA-O 3.29Å; T781-Y797 WeakPolarHBondContact CA-O 3.3Å
782	I	67.2	Low	59.4	Low	78 Å²	78	86.1 Å²	86.1	40%	0.4	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	90.7	169.3	-57.5	-177.9	0	0	0	107.2	Y797 V799	I782-Y797 PolarHBondContact N-O 3.37Å; I782-V799 HydrophobicContact CD1-CB 4.13Å; I782-V799 HydrophobicContact CD1-CG2 3.39Å; I782-V799 HydrophobicContact CG1-CB 4.49Å; I782-V799 HydrophobicContact CG1-CG2 4.04Å
783	G	57.1	Low	58.3	Low	46 Å²	46	92.2 Å²	92.2	47%	0.474	56%	0.564	S	S	.	*			trans	-91.4	135.9	164.7	0	0	0	0	0	109.9	T781 T785	T781-G783 PolarHBondContact O-N 2.83Å; G783-T785 PolarHBondContact O-N 3.05Å; G783-T785 VanDerWaalsContact O-N 3.16Å
784	G	51.5	Low	57.5	Low	80 Å²	80	94.8 Å²	94.8	83%	0.825	59%	0.591	S	S	*	*			trans	-53.7	119.4	-178.7	0	0	0	0	0	112.1	G786	G784-G786 PolarHBondContact O-N 3.39Å
785	T	42.4	Very low	57.2	Low	150 Å²	150	90.5 Å²	90.5	92%	0.92	58%	0.575	S	S	*	*			trans	-71.3	96.5	173.5	51.6	0	0	0	0	109.3	G783	G783-T785 PolarHBondContact O-N 3.05Å; G783-T785 VanDerWaalsContact O-N 3.16Å
786	G	46.7	Very low	57.4	Low	47 Å²	47	87 Å²	87	49%	0.485	56%	0.563	S	S	.	*	S	Bend	trans	-172.3	153.5	176.7	0	0	0	0	0	111.5	G784 D788	G784-G786 PolarHBondContact O-N 3.39Å; G786-D788 PolarHBondContact O-N 3.34Å
787	L	47	Very low	57.9	Low	184 Å²	184	87.6 Å²	87.6	96%	0.963	56%	0.561	S	S	*	*	S	Bend	trans	-60.6	10.4	-174.5	-84	113	0	0	0	116.1
788	D	46.2	Very low	58.2	Low	144 Å²	144	82.4 Å²	82.4	77%	0.77	53%	0.533	S	S	*	.			trans	-104.9	26.6	-175.7	-62.6	-30.2	0	0	0	113.2	G786 S790	G786-D788 PolarHBondContact O-N 3.34Å; D788-S790 PolarHBondContact O-N 3.4Å
789	A	43.6	Very low	58.2	Low	100 Å²	100	83 Å²	83	83%	0.826	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	23.3	-170.9	0	0	0	0	0	116.4
790	S	38.8	Very low	58.3	Low	121 Å²	121	84 Å²	84	85%	0.846	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	11.2	-175.2	57.1	0	0	0	0	115.5	D788	D788-S790 PolarHBondContact O-N 3.4Å
791	A	41.2	Very low	58.2	Low	74 Å²	74	83.6 Å²	83.6	61%	0.612	54%	0.541	S	S	*	.	S	Bend	trans	-141.5	121.5	174.3	0	0	0	0	0	112.2
792	D	42.6	Very low	58.1	Low	162 Å²	162	86.2 Å²	86.2	87%	0.866	56%	0.558	S	S	*	*			trans	70.1	55.3	158.8	-54.7	-20.5	0	0	0	119.6	A794	D792-A794 VanDerWaalsContact C-N 3.32Å; D792-A794 PolarHBondContact O-N 3.35Å
793	T	53.8	Low	58.1	Low	127 Å²	127	88.9 Å²	88.9	78%	0.779	57%	0.573	S	S	*	*			trans	-90.6	55.4	162.5	52.1	0	0	0	0	112.2
794	A	60.9	Low	58.5	Low	86 Å²	86	90.9 Å²	90.9	71%	0.711	57%	0.568	S	S	*	*	S	Bend	trans	-77.9	-27.5	175.6	0	0	0	0	0	112.8	D792	D792-A794 VanDerWaalsContact C-N 3.32Å; D792-A794 PolarHBondContact O-N 3.35Å
795	D	67.1	Low	58.9	Low	71 Å²	71	93.4 Å²	93.4	38%	0.38	57%	0.566	S	S	.	*	S	Bend	trans	-141.1	84.6	-176.4	-99.2	-28.1	0	0	0	111	S738	S738-D795 WeakPolarHBondContact CB-OD1 3.29Å; S738-D795 WeakPolarHBondContact CB-OD2 3.11Å; S738-D795 PolarHBondContact N-OD1 3.31Å; S738-D795 VanDerWaalsContact OG-CG 3.22Å; S738-D795 PolarHBondContact OG-OD1 3.08Å; S738-D795 PolarHBondContact OG-OD2 3.01Å
796	P	71.9	Confident	59.4	Low	29 Å²	29	96.5 Å²	96.5	19%	0.188	57%	0.57	C	S	.	*			trans	-71.9	152.2	176.3	29.2	-33.2	0	0	0	111.8	R737 T781	R737-P796 PolarHBondContact N-O 3.03Å; T781-P796 HydrophobicContact CG2-CB 3.9Å; T781-P796 HydrophobicContact CG2-CG 3.82Å
797	Y	77.3	Confident	60.1	Low	78 Å²	78	99 Å²	99	31%	0.306	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.7	133.3	169.3	-72	-72.3	0	0	0	110.3	P732 A734 K736 T781 I782	P732-Y797 HydrophobicContact CG-CD2 4.41Å; P732-Y797 HydrophobicContact CG-CE2 4.4Å; A734-Y797 HydrophobicContact CB-CD1 4.08Å; A734-Y797 HydrophobicContact CB-CG 4.37Å; A734-Y797 WeakPolarHBondContact O-CD1 3.43Å; A734-Y797 WeakPolarHBondContact O-CE1 3.33Å; K736-Y797 WeakPolarHBondContact CE-OH 3.39Å; K736-Y797 HydrophobicContact CG-CD1 4.1Å; K736-Y797 HydrophobicContact CG-CE1 3.74Å; T781-Y797 CarbonylContact C-O 3.59Å; T781-Y797 VanDerWaalsContact CA-O 3.29Å; T781-Y797 WeakPolarHBondContact CA-O 3.3Å; I782-Y797 PolarHBondContact N-O 3.37Å
798	I	74.5	Confident	60.8	Low	0 Å²	0	94.5 Å²	94.5	0%	0	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	127.2	-176.3	-55.4	-178.5	0	0	0	110.1	P735 R737 I769 L779	P735-I798 WeakPolarHBondContact CD-O 3.47Å; P735-I798 PolarHBondContact O-N 3.03Å; R737-I798 HydrophobicContact CB-CD1 3.87Å; R737-I798 HydrophobicContact CB-CG1 4.45Å; R737-I798 HydrophobicContact CG-CD1 4.18Å; I769-I798 HydrophobicContact CG2-CD1 3.72Å; L779-I798 HydrophobicContact CB-CG2 3.76Å; L779-I798 HydrophobicContact CD1-CG2 3.95Å; L779-I798 HydrophobicContact CD2-CG2 3.78Å; L779-I798 HydrophobicContact CG-CG2 4.02Å
799	V	74.9	Confident	61.6	Low	35 Å²	35	91.7 Å²	91.7	21%	0.212	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.8	176.1	178	0	0	0	0	110.7	A734 I780 I782	A734-V799 HydrophobicContact CB-CG2 3.48Å; A734-V799 VanDerWaalsContact CB-CG2 3.48Å; I780-V799 PolarHBondContact N-O 2.78Å; I780-V799 PolarHBondContact O-N 2.94Å; I782-V799 HydrophobicContact CD1-CB 4.13Å; I782-V799 HydrophobicContact CD1-CG2 3.39Å; I782-V799 HydrophobicContact CG1-CB 4.49Å; I782-V799 HydrophobicContact CG1-CG2 4.04Å
800	V	73.9	Confident	62.6	Low	25 Å²	25	91.2 Å²	91.2	15%	0.152	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.7	175.6	-177	0	0	0	0	109.7	I712 A715 L779	I712-V800 HydrophobicContact CG2-CG1 4.35Å; I712-V800 HydrophobicContact CG2-CG2 4.48Å; A715-V800 HydrophobicContact CB-CG2 3.63Å; L779-V800 HydrophobicContact CD2-CG2 4.1Å
801	H	74	Confident	64.1	Low	60 Å²	60	89.4 Å²	89.4	28%	0.278	51%	0.505	S	S	.	.			trans	-60.2	128.3	179.5	-170.5	-72	0	0	0	110.6	I778 I780 N803 Y804	I778-H801 WeakPolarHBondContact O-CB 3.42Å; I778-H801 PolarHBondContact O-N 3.18Å; I780-H801 HydrophobicContact CD1-CB 4.05Å; I780-H801 VanDerWaalsContact CD1-CD2 3.46Å; I780-H801 WeakPolarHBondContact CD1-CD2 3.4Å; I780-H801 HydrophobicContact CG1-CB 4.12Å; H801-N803 PolarHBondContact CE1-ND2 2.84Å; H801-N803 WeakPolarHBondContact ND1-CB 3.43Å; H801-N803 PolarHBondContact ND1-N 3.13Å; H801-N803 PolarHBondContact O-N 2.9Å; H801-Y804 WeakPolarHBondContact O-CB 3.49Å; H801-Y804 PolarHBondContact O-N 3.28Å
802	P	67	Low	65.6	Low	113 Å²	113	90.4 Å²	90.4	73%	0.734	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.3	-173.6	21.1	-31.4	0	0	0	114.8
803	N	67.4	Low	67.3	Low	134 Å²	134	85.3 Å²	85.3	72%	0.717	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	1	174.3	-62.8	-12.2	0	0	0	114.8	H801 V805	H801-N803 PolarHBondContact CE1-ND2 2.84Å; H801-N803 WeakPolarHBondContact ND1-CB 3.43Å; H801-N803 PolarHBondContact ND1-N 3.13Å; H801-N803 PolarHBondContact O-N 2.9Å; N803-V805 PolarHBondContact O-N 3.4Å
804	Y	65	Low	68.3	Low	89 Å²	89	82.1 Å²	82.1	35%	0.349	45%	0.448	S	S	.	.			trans	-77.9	112.8	178.5	-173.2	-101.6	0	0	0	110.7	I712 I778 H801 E806	I712-Y804 HydrophobicContact CD1-CE1 4.23Å; I712-Y804 HydrophobicContact CG2-CD1 4.2Å; I712-Y804 HydrophobicContact CG2-CE1 3.92Å; I778-Y804 HydrophobicContact CB-CD2 4.5Å; I778-Y804 HydrophobicContact CD1-CD2 4.34Å; I778-Y804 HydrophobicContact CD1-CE2 3.79Å; I778-Y804 HydrophobicContact CG1-CD2 3.97Å; I778-Y804 HydrophobicContact CG1-CE2 3.94Å; I778-Y804 HydrophobicContact CG2-CD1 4.42Å; I778-Y804 HydrophobicContact CG2-CD2 3.91Å; I778-Y804 HydrophobicContact CG2-CE2 4.1Å; I778-Y804 HydrophobicContact CG2-CG 4.07Å; H801-Y804 WeakPolarHBondContact O-CB 3.49Å; H801-Y804 PolarHBondContact O-N 3.28Å; Y804-E806 HydrophobicContact CE1-CG 4.47Å
805	V	60.8	Low	68.9	Low	132 Å²	132	81.8 Å²	81.8	80%	0.8	43%	0.427	S	S	*	.			trans	-122.4	128.8	171.6	-174.8	0	0	0	0	106.9	N803	N803-V805 PolarHBondContact O-N 3.4Å
806	E	53.6	Low	69.1	Low	215 Å²	215	82.7 Å²	82.7	100%	1.005	43%	0.431	S	S	*	.			trans	-54.2	0	-176.8	-79.3	-173.5	153.4	0	0	115.3	Y804	Y804-E806 HydrophobicContact CE1-CG 4.47Å

Retrieved 806 of 806 residues in 215.5 ms (Link to these results)

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