A0A077YUQ7_TRITR Loading...

U5 small nuclear ribonucleoprotein 40 kDa protein

Required for pre-mRNA splicing as component of the activated spliceosome. Component of the U5 small nuclear ribonucleoprotein (snRNP) complex and the U4/U6-U5 tri-snRNP complex, building blocks of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A077YUQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 974 aa.

						>A0A077YUQ7_TRITR|A0A077YUQ7
MTRHQKNATASTVYTYYERKKDQKASGYGTLEERLSKNAFKDFDCCSLTLQRCRDPVVTPEGYLFDYEAILKYILHHKKENARKRKLYEDYLAQKEKELEDEKEAEMERKVRRFETAEATPARRNVASEDCDQPTTSSSSLVSKTNGNTSTEVKNFWVPSLSGSVVDKTVPKPPADKVLCPVTGKPLKLKDLLHVKFKVASSVSESELASGKNVYVCALTGDLLNNATPCVVLKTSGYVITVESLEKVVKKEWIDPFNGKKLTEDDLIFLRRGGTGFAATNENLQSKVVRPALELHHCLYAANIIYYRLQIFSFFSNNHFQQSAMDSEPLAGPMLPAAYEANMQLGIRHKTQSRRFSHLSAPIILLQGHMGEVYTAKFSKEGTFLASAGFDQKILLWNVYGECDNFAVLSGHTGAIMELHFSAESDMLVTCSTDRTIRIWDMETGVCLRKFKGHASFVNSCHLARRGPRLICSGSDDGTIKVWDQRKRDYIHSFDNKYQVTAVTFNDTTEHVIAGGIDNDLKVWDLRKGVVAYGMFGHVDTVTGLCLSPDGSHVLSNSMDCTVRIWDIRPFAPEVRCVRVLQGNQHNFEKNLLRCSWSPDGNRVSAGSSDRYVYVWDVMSQRILYKLPGHFGSVNETDFHPCEPIILSAGSDKKIYMGELEMATVWLSNSRCIYENLALEHWLLTNWDQSCPNALLIWKNRPAVVIGRHQNPWTEADIGFARAAGIDIVRRYSGGGTVYHDEGNFNFSYLTSKQRHHRLTNLLAVCKCVASTTGITLSINNKHDILLEDKYKVSGTAAKITSKCAYHHFTLMFNVDLSRMERVLRPSMQFGVESNATSSVRSSVKALCDVARSLDERKIIAAIVDDYRSSFERCNIHTVAAVTEKQFPGVDNMIAELRSWQWIFGTTPRFHIKRPIRSGRSSAQRTLRISVYHGIIERVVINELCDDEKEITKFIEARFDSELLETIIAYCLRT
					

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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	31.3	Very low	36.4	Very low	210 Å²	210	151.5 Å²	151.5	100%	1.034	81%	0.806	S	S	*	*				0	113.2	0	-67.8	169.1	66.4	0	0	106.8
2	T	35.6	Very low	37.5	Very low	130 Å²	130	150 Å²	150	80%	0.798	81%	0.807	S	S	*	*			cis	58.8	123.2	1.4	50.5	0	0	0	0	116.5
3	R	30.8	Very low	37.9	Very low	238 Å²	238	145 Å²	145	90%	0.898	79%	0.785	S	S	*	*	S	Bend	trans	-64.4	139.4	171	-71.9	172	164.9	169.4	-6.7	110.3
4	H	36.4	Very low	38.6	Very low	196 Å²	196	139.3 Å²	139.3	91%	0.907	75%	0.747	S	S	*	*			trans	179.4	86.6	140.1	-93.1	-62.9	0	0	0	108.2
5	Q	39.8	Very low	40	Very low	138 Å²	138	133.7 Å²	133.7	65%	0.645	72%	0.72	S	S	*	*			trans	-130.8	57	-172.1	-166.5	178.6	-14.9	0	0	110.9
6	K	43.5	Very low	41.2	Very low	197 Å²	197	133.9 Å²	133.9	86%	0.857	71%	0.708	S	S	*	*	S	Bend	trans	-125.4	-9.9	173.3	-89	-161.1	170.2	-168.9	0	115.8
7	N	32.8	Very low	42.2	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	71%	0.712	S	S	*	*	S	Bend	trans	-118.4	54.1	178.8	-65.2	35.5	0	0	0	110.9
8	A	39.9	Very low	43.1	Very low	86 Å²	86	134.5 Å²	134.5	71%	0.711	69%	0.694	S	S	*	*			trans	-114.7	10.7	-174.5	0	0	0	0	0	114.3
9	T	40.2	Very low	43.9	Very low	140 Å²	140	131.9 Å²	131.9	86%	0.859	67%	0.674	S	S	*	*			trans	-113.9	10.1	-176.9	44.1	0	0	0	0	113.6	S11	T9-S11 PolarHBondContact O-N 2.57Å
10	A	34.2	Very low	44.5	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	66%	0.662	S	S	*	*	S	Bend	trans	-91.5	84.7	-178.7	0	0	0	0	0	112.6
11	S	36.4	Very low	45.1	Very low	90 Å²	90	131.1 Å²	131.1	63%	0.629	66%	0.661	S	S	*	*			trans	68.6	152.3	170.6	84.4	0	0	0	0	118	T9	T9-S11 PolarHBondContact O-N 2.57Å
12	T	49	Very low	46.1	Very low	134 Å²	134	123.4 Å²	123.4	82%	0.822	62%	0.624	S	S	*	*	S	Bend	trans	-98.5	18.4	179.3	49.6	0	0	0	0	113.3
13	V	42.5	Very low	46.9	Very low	85 Å²	85	118.8 Å²	118.8	52%	0.515	59%	0.594	S	S	.	*	S	Bend	trans	-122.5	103.1	-174	-178.8	0	0	0	0	109.4	T15	V13-T15 VanDerWaalsContact O-CG2 3.26Å; V13-T15 WeakPolarHBondContact O-CG2 3.47Å; V13-T15 PolarHBondContact O-N 3.39Å
14	Y	48.4	Very low	47.8	Very low	65 Å²	65	116 Å²	116	26%	0.255	59%	0.588	S	S	.	*			trans	-64.5	95.6	175.9	-178.4	-136.7	0	0	0	110.3	E18 R19 R34	Y14-E18 HydrophobicContact CD2-CB 3.75Å; Y14-E18 HydrophobicContact CE2-CB 3.7Å; Y14-R19 HydrophobicContact CD1-CG 3.76Å; Y14-R19 HydrophobicContact CE1-CB 4.2Å; Y14-R19 HydrophobicContact CE1-CG 3.54Å; Y14-R19 HydrophobicContact CE2-CG 4.36Å; Y14-R19 HydrophobicContact CG-CG 4.26Å; Y14-R19 PolarHBondContact O-NE 2.92Å; Y14-R34 HydrophobicContact CE1-CB 4.19Å; Y14-R34 HydrophobicContact CE1-CG 4.49Å
15	T	59.1	Low	48.3	Very low	55 Å²	55	110.7 Å²	110.7	34%	0.337	58%	0.578	S	S	.	*			trans	-70.8	154.7	-165	65.9	0	0	0	0	111.6	V13 Y17 E18 R19	V13-T15 VanDerWaalsContact O-CG2 3.26Å; V13-T15 WeakPolarHBondContact O-CG2 3.47Å; V13-T15 PolarHBondContact O-N 3.39Å; T15-Y17 PolarHBondContact O-N 3.31Å; T15-Y17 VanDerWaalsContact O-N 3.16Å; T15-E18 PolarHBondContact N-OE2 2.76Å; T15-E18 PolarHBondContact O-N 3.41Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.74Å; T15-E18 PolarHBondContact OG1-OE2 2.05Å; T15-R19 WeakPolarHBondContact O-CG 3.35Å; T15-R19 PolarHBondContact O-N 2.92Å
16	Y	58.7	Low	48.6	Very low	137 Å²	137	106.5 Å²	106.5	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-52.6	-36.6	174.8	174.8	-109.6	0	0	0	112.7	R19 K20 L31	Y16-R19 PolarHBondContact O-N 3.4Å; Y16-K20 HydrophobicContact CE1-CD 4.22Å; Y16-K20 WeakPolarHBondContact O-CB 3.47Å; Y16-K20 PolarHBondContact O-N 3.04Å; Y16-K20 PolarHBondContact OH-NZ 2.93Å; Y16-K20 VanDerWaalsContact OH-NZ 3.08Å; Y16-L31 HydrophobicContact CE2-CD2 4.3Å
17	Y	58	Low	48.6	Very low	195 Å²	195	98.8 Å²	98.8	77%	0.765	54%	0.541	S	S	*	.	H	α-helix	trans	-65.7	-42.9	174.7	-91.2	-94.2	0	0	0	113.1	T15 K20 K21	T15-Y17 PolarHBondContact O-N 3.31Å; T15-Y17 VanDerWaalsContact O-N 3.16Å; Y17-K20 PolarHBondContact O-N 3.25Å; Y17-K21 VanDerWaalsContact O-CB 3.29Å; Y17-K21 WeakPolarHBondContact O-CB 3.22Å; Y17-K21 PolarHBondContact O-N 2.8Å
18	E	59.6	Low	49.2	Very low	84 Å²	84	94.5 Å²	94.5	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-65.2	-41.9	174.9	-71.6	175.6	125.7	0	0	111.9	Y14 T15 K20 K21 D22	Y14-E18 HydrophobicContact CD2-CB 3.75Å; Y14-E18 HydrophobicContact CE2-CB 3.7Å; T15-E18 PolarHBondContact N-OE2 2.76Å; T15-E18 PolarHBondContact O-N 3.41Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.74Å; T15-E18 PolarHBondContact OG1-OE2 2.05Å; E18-K20 VanDerWaalsContact C-N 3.29Å; E18-K20 PolarHBondContact O-N 2.86Å; E18-K21 PolarHBondContact O-N 2.96Å; E18-K21 VanDerWaalsContact O-N 3.16Å; E18-D22 WeakPolarHBondContact O-CB 3.2Å; E18-D22 PolarHBondContact O-N 2.98Å
19	R	57.7	Low	49.3	Very low	86 Å²	86	90.8 Å²	90.8	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-57.7	-45.6	175.6	-43.1	-150.5	-174.8	178.4	0.7	111.1	Y14 T15 Y16 K21 D22 Q23 L31	Y14-R19 HydrophobicContact CD1-CG 3.76Å; Y14-R19 HydrophobicContact CE1-CB 4.2Å; Y14-R19 HydrophobicContact CE1-CG 3.54Å; Y14-R19 HydrophobicContact CE2-CG 4.36Å; Y14-R19 HydrophobicContact CG-CG 4.26Å; Y14-R19 PolarHBondContact O-NE 2.92Å; T15-R19 WeakPolarHBondContact O-CG 3.35Å; T15-R19 PolarHBondContact O-N 2.92Å; Y16-R19 PolarHBondContact O-N 3.4Å; R19-K21 VanDerWaalsContact C-N 3.34Å; R19-K21 PolarHBondContact O-N 2.98Å; R19-D22 PolarHBondContact O-N 3.35Å; R19-Q23 VanDerWaalsContact O-CB 3.23Å; R19-Q23 WeakPolarHBondContact O-CB 3.33Å; R19-Q23 PolarHBondContact O-N 3.38Å; R19-L31 WeakPolarHBondContact CD-O 3.44Å; R19-L31 PolarHBondContact NH1-O 2.58Å
20	K	56.7	Low	49.6	Very low	96 Å²	96	86.8 Å²	86.8	42%	0.417	46%	0.459	S	S	.	.	H	α-helix	trans	-69.4	-30.5	179.6	-159.8	168.1	-167.8	166.2	0	112.6	Y16 Y17 E18 K24	Y16-K20 HydrophobicContact CE1-CD 4.22Å; Y16-K20 WeakPolarHBondContact O-CB 3.47Å; Y16-K20 PolarHBondContact O-N 3.04Å; Y16-K20 PolarHBondContact OH-NZ 2.93Å; Y16-K20 VanDerWaalsContact OH-NZ 3.08Å; Y17-K20 PolarHBondContact O-N 3.25Å; E18-K20 VanDerWaalsContact C-N 3.29Å; E18-K20 PolarHBondContact O-N 2.86Å; K20-K24 WeakPolarHBondContact O-CB 3.4Å; K20-K24 WeakPolarHBondContact O-CG 3.49Å; K20-K24 PolarHBondContact O-N 3.42Å
21	K	57	Low	50.1	Low	151 Å²	151	85.7 Å²	85.7	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-72.2	-46.7	173.7	-174	178.3	179.1	-179.8	0	111.3	Y17 E18 R19 K24 A25	Y17-K21 VanDerWaalsContact O-CB 3.29Å; Y17-K21 WeakPolarHBondContact O-CB 3.22Å; Y17-K21 PolarHBondContact O-N 2.8Å; E18-K21 PolarHBondContact O-N 2.96Å; E18-K21 VanDerWaalsContact O-N 3.16Å; R19-K21 VanDerWaalsContact C-N 3.34Å; R19-K21 PolarHBondContact O-N 2.98Å; K21-K24 PolarHBondContact O-N 2.99Å; K21-A25 WeakPolarHBondContact O-CB 3.32Å; K21-A25 PolarHBondContact O-N 2.92Å
22	D	53	Low	50.7	Low	48 Å²	48	89.1 Å²	89.1	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-68.1	-39.8	176.7	-89.4	19.3	0	0	0	111.8	E18 R19 K24 A25 S26 R34	E18-D22 WeakPolarHBondContact O-CB 3.2Å; E18-D22 PolarHBondContact O-N 2.98Å; R19-D22 PolarHBondContact O-N 3.35Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.9Å; D22-A25 PolarHBondContact O-N 2.93Å; D22-S26 WeakPolarHBondContact O-CB 3.37Å; D22-S26 PolarHBondContact O-N 3.09Å; D22-S26 PolarHBondContact O-OG 2.79Å; D22-R34 IonicContact OD1-NH2 2.7Å; D22-R34 IonicContact OD2-CZ 2.68Å; D22-R34 IonicContact OD2-NE 3.52Å; D22-R34 PolarHBondContact OD2-NE 2.83Å; D22-R34 IonicContact OD2-NH2 3.76Å; D22-R34 PolarHBondContact OD2-NH2 2.79Å
23	Q	50.5	Low	50.6	Low	33 Å²	33	87.9 Å²	87.9	15%	0.154	43%	0.432	C	S	.	.	H	α-helix	trans	-58.5	-41.7	173.5	-172.9	174.2	39.6	0	0	111	R19 G27 G29 A278	R19-Q23 VanDerWaalsContact O-CB 3.23Å; R19-Q23 WeakPolarHBondContact O-CB 3.33Å; R19-Q23 PolarHBondContact O-N 3.38Å; Q23-G27 WeakPolarHBondContact O-CA 3.17Å; Q23-G27 PolarHBondContact O-N 3.01Å; Q23-G29 WeakPolarHBondContact CG-O 3.35Å; Q23-G29 PolarHBondContact NE2-O 3.35Å; Q23-A278 PolarHBondContact NE2-O 3.26Å
24	K	50.3	Low	50.8	Low	178 Å²	178	91.9 Å²	91.9	77%	0.774	44%	0.438	S	S	*	.	H	α-helix	trans	-71.6	-43.4	174	-80	-172.1	170.8	-165.6	0	114.5	K20 K21 D22	K20-K24 WeakPolarHBondContact O-CB 3.4Å; K20-K24 WeakPolarHBondContact O-CG 3.49Å; K20-K24 PolarHBondContact O-N 3.42Å; K21-K24 PolarHBondContact O-N 2.99Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.9Å
25	A	46.3	Very low	50.6	Low	85 Å²	85	92.4 Å²	92.4	70%	0.702	45%	0.445	S	S	*	.	H	α-helix	trans	-80.2	-22.5	-173.3	0	0	0	0	0	113	K21 D22	K21-A25 WeakPolarHBondContact O-CB 3.32Å; K21-A25 PolarHBondContact O-N 2.92Å; D22-A25 PolarHBondContact O-N 2.93Å
26	S	47.3	Very low	49.7	Very low	50 Å²	50	93.2 Å²	93.2	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-90.7	-58.5	168.7	69.5	0	0	0	0	111.1	D22 Y28	D22-S26 WeakPolarHBondContact O-CB 3.37Å; D22-S26 PolarHBondContact O-N 3.09Å; D22-S26 PolarHBondContact O-OG 2.79Å; S26-Y28 VanDerWaalsContact C-CD2 3.43Å; S26-Y28 VanDerWaalsContact C-N 3.34Å; S26-Y28 WeakPolarHBondContact O-CD2 3.24Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å; S26-Y28 PolarHBondContact OG-N 2.94Å
27	G	43.5	Very low	48.8	Very low	36 Å²	36	96 Å²	96	37%	0.371	47%	0.467	S	S	.	.	S	Bend	trans	81.5	11.1	-158.5	0	0	0	0	0	113.6	Q23	Q23-G27 WeakPolarHBondContact O-CA 3.17Å; Q23-G27 PolarHBondContact O-N 3.01Å
28	Y	44.6	Very low	48	Very low	68 Å²	68	91.9 Å²	91.9	27%	0.267	46%	0.459	S	S	.	.			trans	-131	11.6	-166	-65.3	-86.1	0	0	0	115	S26 F40 R272 G273	S26-Y28 VanDerWaalsContact C-CD2 3.43Å; S26-Y28 VanDerWaalsContact C-N 3.34Å; S26-Y28 WeakPolarHBondContact O-CD2 3.24Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å; S26-Y28 PolarHBondContact OG-N 2.94Å; Y28-F40 HydrophobicContact CD1-CD1 4.13Å; Y28-F40 AromaticContact CD1-CD2 3.83Å; Y28-F40 HydrophobicContact CD1-CD2 3.83Å; Y28-F40 HydrophobicContact CD1-CE1 4.09Å; Y28-F40 AromaticContact CD1-CE2 3.8Å; Y28-F40 HydrophobicContact CD1-CE2 3.8Å; Y28-F40 HydrophobicContact CD1-CG 4Å; Y28-F40 AromaticContact CD1-CZ 3.93Å; Y28-F40 HydrophobicContact CD1-CZ 3.93Å; Y28-F40 HydrophobicContact CE1-CD2 4.41Å; Y28-F40 HydrophobicContact CE1-CG 4.36Å; Y28-F40 HydrophobicContact CG-CD2 4.28Å; Y28-F40 AromaticContact CG-CE2 3.94Å; Y28-F40 HydrophobicContact CG-CE2 3.94Å; Y28-F40 HydrophobicContact CG-CZ 4.21Å; Y28-F40 WeakPolarHBondContact O-CZ 3.44Å; Y28-R272 PolarHBondContact OH-O 2.92Å; Y28-G273 VanDerWaalsContact CE1-C 3.45Å; Y28-G273 VanDerWaalsContact OH-C 3.31Å; Y28-G273 VanDerWaalsContact OH-CA 3.26Å; Y28-G273 WeakPolarHBondContact OH-CA 3.17Å; Y28-G273 PolarHBondContact OH-O 2.97Å
29	G	43.4	Very low	47.2	Very low	8 Å²	8	89.6 Å²	89.6	8%	0.082	45%	0.454	C	S	.	.			trans	-124.4	151.8	-175.6	0	0	0	0	0	113.5	Q23	Q23-G29 WeakPolarHBondContact CG-O 3.35Å; Q23-G29 PolarHBondContact NE2-O 3.35Å
30	T	45.5	Very low	46.6	Very low	56 Å²	56	87 Å²	87	34%	0.344	45%	0.446	S	S	.	.			trans	-91.8	172	167.7	68.1	0	0	0	0	109.9	E32 E33	T30-E32 PolarHBondContact O-N 2.89Å; T30-E32 PolarHBondContact OG1-N 2.99Å; T30-E33 PolarHBondContact N-O 3.37Å; T30-E33 PolarHBondContact OG1-N 3.23Å
31	L	44.9	Very low	45.7	Very low	59 Å²	59	89.5 Å²	89.5	31%	0.309	46%	0.456	S	S	.	.	S	Bend	trans	-68.4	-17.4	172	-75.1	166.1	0	0	0	113	Y16 R19	Y16-L31 HydrophobicContact CE2-CD2 4.3Å; R19-L31 WeakPolarHBondContact CD-O 3.44Å; R19-L31 PolarHBondContact NH1-O 2.58Å
32	E	47.8	Very low	45	Very low	163 Å²	163	88.7 Å²	88.7	76%	0.762	46%	0.459	S	S	*	.	S	Bend	trans	-98.8	-40.8	-176.3	-60.6	-176.2	165.8	0	0	112	T30	T30-E32 PolarHBondContact O-N 2.89Å; T30-E32 PolarHBondContact OG1-N 2.99Å
33	E	48.9	Very low	44.6	Very low	107 Å²	107	89.2 Å²	89.2	50%	0.5	46%	0.459	S	S	.	.			trans	-122.2	136.7	-174.5	-64.8	-163.3	143.5	0	0	114.3	T30	T30-E33 PolarHBondContact N-O 3.37Å; T30-E33 PolarHBondContact OG1-N 3.23Å
34	R	46.2	Very low	44.3	Very low	169 Å²	169	88.8 Å²	88.8	64%	0.638	46%	0.458	S	S	*	.			trans	-99.2	92.2	178.1	-169.6	-174.7	-163.8	-170.1	8.9	110.8	Y14 D22	Y14-R34 HydrophobicContact CE1-CB 4.19Å; Y14-R34 HydrophobicContact CE1-CG 4.49Å; D22-R34 IonicContact OD1-NH2 2.7Å; D22-R34 IonicContact OD2-CZ 2.68Å; D22-R34 IonicContact OD2-NE 3.52Å; D22-R34 PolarHBondContact OD2-NE 2.83Å; D22-R34 IonicContact OD2-NH2 3.76Å; D22-R34 PolarHBondContact OD2-NH2 2.79Å
35	L	44.1	Very low	44.1	Very low	77 Å²	77	81.1 Å²	81.1	40%	0.403	43%	0.427	S	S	.	.			trans	-78.3	144.6	179.8	-60.7	176.1	0	0	0	112.3	F40	L35-F40 HydrophobicContact CB-CE2 3.92Å; L35-F40 HydrophobicContact CB-CZ 3.6Å; L35-F40 HydrophobicContact CD1-CE1 4.13Å; L35-F40 HydrophobicContact CD1-CZ 3.66Å; L35-F40 HydrophobicContact CG-CZ 4.26Å
36	S	39.7	Very low	44.1	Very low	71 Å²	71	77.3 Å²	77.3	50%	0.497	40%	0.395	S	S	.	.			trans	-90.2	150.7	-177.6	86.3	0	0	0	0	112.5	N38 A39 F40	S36-N38 PolarHBondContact O-N 3.24Å; S36-N38 PolarHBondContact OG-N 2.91Å; S36-A39 WeakPolarHBondContact O-CB 3.31Å; S36-A39 PolarHBondContact O-N 3.15Å; S36-A39 PolarHBondContact OG-N 2.96Å; S36-F40 WeakPolarHBondContact O-CD2 3.49Å; S36-F40 WeakPolarHBondContact O-CE2 3.19Å
37	K	40.8	Very low	43.9	Very low	195 Å²	195	76.3 Å²	76.3	85%	0.848	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.4	177.2	-175.2	169.3	-178.8	172.4	0	114.3
38	N	40	Very low	44.1	Very low	109 Å²	109	75.7 Å²	75.7	58%	0.583	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-23.5	178.3	-72.9	-10.6	0	0	0	113.5	S36 F40 K41	S36-N38 PolarHBondContact O-N 3.24Å; S36-N38 PolarHBondContact OG-N 2.91Å; N38-F40 PolarHBondContact O-N 3.24Å; N38-F40 VanDerWaalsContact O-N 3.13Å; N38-K41 PolarHBondContact O-N 3.43Å; N38-K41 VanDerWaalsContact O-N 3.11Å
39	A	43.4	Very low	43.8	Very low	37 Å²	37	73.4 Å²	73.4	31%	0.306	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.3	-32.6	-176.8	0	0	0	0	0	112.3	S36 K41 F43	S36-A39 WeakPolarHBondContact O-CB 3.31Å; S36-A39 PolarHBondContact O-N 3.15Å; S36-A39 PolarHBondContact OG-N 2.96Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 2.92Å; A39-F43 WeakPolarHBondContact O-CD2 3.37Å; A39-F43 VanDerWaalsContact O-CE2 3.29Å; A39-F43 WeakPolarHBondContact O-CE2 3.43Å
40	F	44.2	Very low	43.6	Very low	32 Å²	32	80.6 Å²	80.6	14%	0.14	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-78.9	-4.7	-177.3	-55.3	-74.9	0	0	0	115.2	Y28 L35 S36 N38 D42 L48 N226	Y28-F40 HydrophobicContact CD1-CD1 4.13Å; Y28-F40 AromaticContact CD1-CD2 3.83Å; Y28-F40 HydrophobicContact CD1-CD2 3.83Å; Y28-F40 HydrophobicContact CD1-CE1 4.09Å; Y28-F40 AromaticContact CD1-CE2 3.8Å; Y28-F40 HydrophobicContact CD1-CE2 3.8Å; Y28-F40 HydrophobicContact CD1-CG 4Å; Y28-F40 AromaticContact CD1-CZ 3.93Å; Y28-F40 HydrophobicContact CD1-CZ 3.93Å; Y28-F40 HydrophobicContact CE1-CD2 4.41Å; Y28-F40 HydrophobicContact CE1-CG 4.36Å; Y28-F40 HydrophobicContact CG-CD2 4.28Å; Y28-F40 AromaticContact CG-CE2 3.94Å; Y28-F40 HydrophobicContact CG-CE2 3.94Å; Y28-F40 HydrophobicContact CG-CZ 4.21Å; Y28-F40 WeakPolarHBondContact O-CZ 3.44Å; L35-F40 HydrophobicContact CB-CE2 3.92Å; L35-F40 HydrophobicContact CB-CZ 3.6Å; L35-F40 HydrophobicContact CD1-CE1 4.13Å; L35-F40 HydrophobicContact CD1-CZ 3.66Å; L35-F40 HydrophobicContact CG-CZ 4.26Å; S36-F40 WeakPolarHBondContact O-CD2 3.49Å; S36-F40 WeakPolarHBondContact O-CE2 3.19Å; N38-F40 PolarHBondContact O-N 3.24Å; N38-F40 VanDerWaalsContact O-N 3.13Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-L48 HydrophobicContact CD1-CD2 3.83Å; F40-N226 PolarHBondContact O-ND2 2.83Å
41	K	38.8	Very low	43.5	Very low	147 Å²	147	82.8 Å²	82.8	64%	0.639	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-69	-33.4	178.3	-75.2	-168.6	173	-169.2	0	113	N38 A39	N38-K41 PolarHBondContact O-N 3.43Å; N38-K41 VanDerWaalsContact O-N 3.11Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 2.92Å
42	D	40.8	Very low	43.5	Very low	135 Å²	135	88.9 Å²	88.9	72%	0.722	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-104.2	21.5	-166	-48.3	-25.6	0	0	0	112.3	F40	F40-D42 VanDerWaalsContact C-N 3.34Å
43	F	44.9	Very low	43.8	Very low	58 Å²	58	82.1 Å²	82.1	25%	0.254	40%	0.401	S	S	.	.	S	Bend	trans	-108.7	141.6	173.5	-76.2	-92.5	0	0	0	110.1	A39 S47 L48 N226	A39-F43 WeakPolarHBondContact O-CD2 3.37Å; A39-F43 VanDerWaalsContact O-CE2 3.29Å; A39-F43 WeakPolarHBondContact O-CE2 3.43Å; F43-S47 WeakPolarHBondContact CD1-O 3.38Å; F43-S47 WeakPolarHBondContact CE1-O 3.41Å; F43-L48 HydrophobicContact CB-CD2 3.73Å; F43-L48 HydrophobicContact CB-CG 4.16Å; F43-L48 HydrophobicContact CD1-CD2 4.43Å; F43-L48 HydrophobicContact CD2-CD2 4.39Å; F43-L48 HydrophobicContact CG-CD2 3.97Å; F43-N226 VanDerWaalsContact O-CG 3.31Å; F43-N226 PolarHBondContact O-ND2 2.9Å
44	D	45.8	Very low	44.2	Very low	24 Å²	24	86.4 Å²	86.4	13%	0.128	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-67.4	155.2	164.1	-36.3	-88.7	0	0	0	109.1	C46 S47 Y215	D44-C46 PolarHBondContact O-N 2.75Å; D44-S47 WeakPolarHBondContact CB-OG 3.46Å; D44-S47 PolarHBondContact N-OG 2.77Å; D44-S47 VanDerWaalsContact N-OG 3.11Å; D44-S47 PolarHBondContact O-N 2.62Å; D44-S47 VanDerWaalsContact O-N 3.12Å; D44-S47 PolarHBondContact O-OG 2.95Å; D44-S47 PolarHBondContact OD2-OG 3.42Å; D44-Y215 HydrophobicContact CB-CD2 4.2Å
45	C	45.7	Very low	45.6	Very low	18 Å²	18	82.6 Å²	82.6	12%	0.122	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.6	-178.4	-61.1	0	0	0	0	114.7	L64 L224 N225 N226	C45-L64 WeakPolarHBondContact O-CD2 3.42Å; C45-L224 PolarHBondContact SG-O 2.88Å; C45-N225 VanDerWaalsContact SG-C 3.55Å; C45-N226 WeakPolarHBondContact CA-OD1 3.14Å
46	C	46.2	Very low	47.1	Very low	5 Å²	5	80 Å²	80	3%	0.034	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-22.5	-175.7	-30.3	0	0	0	0	113.5	D44 L48 C53 F197 Y215	D44-C46 PolarHBondContact O-N 2.75Å; C46-L48 PolarHBondContact O-N 3.38Å; C46-C53 PolarHBondContact O-SG 2.95Å; C46-C53 VanDerWaalsContact O-SG 3.33Å; C46-F197 HydrophobicContact CB-CE2 4.43Å; C46-F197 WeakPolarHBondContact SG-CD1 3.33Å; C46-F197 WeakPolarHBondContact SG-CE1 3.35Å; C46-F197 VanDerWaalsContact SG-CG 3.5Å; C46-F197 WeakPolarHBondContact SG-CZ 3.4Å; C46-Y215 HydrophobicContact CB-CD2 3.84Å; C46-Y215 HydrophobicContact CB-CE2 3.48Å; C46-Y215 VanDerWaalsContact CB-CE2 3.48Å; C46-Y215 WeakPolarHBondContact SG-CD2 3.06Å; C46-Y215 VanDerWaalsContact SG-CE2 3.52Å
47	S	43.6	Very low	49.1	Very low	29 Å²	29	76.6 Å²	76.6	20%	0.203	37%	0.368	C	S	.	.			trans	-89.6	18.9	-170.6	59.1	0	0	0	0	113.5	F43 D44 T49	F43-S47 WeakPolarHBondContact CD1-O 3.38Å; F43-S47 WeakPolarHBondContact CE1-O 3.41Å; D44-S47 WeakPolarHBondContact CB-OG 3.46Å; D44-S47 PolarHBondContact N-OG 2.77Å; D44-S47 VanDerWaalsContact N-OG 3.11Å; D44-S47 PolarHBondContact O-N 2.62Å; D44-S47 VanDerWaalsContact O-N 3.12Å; D44-S47 PolarHBondContact O-OG 2.95Å; D44-S47 PolarHBondContact OD2-OG 3.42Å; S47-T49 PolarHBondContact O-N 3.11Å; S47-T49 VanDerWaalsContact O-O 3.09Å
48	L	47	Very low	51.1	Low	23 Å²	23	67.3 Å²	67.3	12%	0.12	33%	0.328	C	S	.	.			trans	-80.7	-5.9	-164.9	-86.9	168.4	0	0	0	116.7	F40 F43 C46 T275	F40-L48 HydrophobicContact CD1-CD2 3.83Å; F43-L48 HydrophobicContact CB-CD2 3.73Å; F43-L48 HydrophobicContact CB-CG 4.16Å; F43-L48 HydrophobicContact CD1-CD2 4.43Å; F43-L48 HydrophobicContact CD2-CD2 4.39Å; F43-L48 HydrophobicContact CG-CD2 3.97Å; C46-L48 PolarHBondContact O-N 3.38Å; L48-T275 HydrophobicContact CB-CG2 3.65Å; L48-T275 HydrophobicContact CD1-CG2 4.19Å
49	T	37.9	Very low	53.2	Low	20 Å²	20	62.2 Å²	62.2	12%	0.123	30%	0.301	C	S	.	.	S	Bend	trans	-98.3	162.2	161.1	66.9	0	0	0	0	109.6	S47 Q51 F277	S47-T49 PolarHBondContact O-N 3.11Å; S47-T49 VanDerWaalsContact O-O 3.09Å; T49-Q51 PolarHBondContact O-N 2.73Å; T49-Q51 PolarHBondContact OG1-N 2.99Å; T49-Q51 PolarHBondContact OG1-O 3.39Å; T49-Q51 VanDerWaalsContact OG1-O 3.05Å; T49-F277 HydrophobicContact CG2-CB 3.98Å; T49-F277 HydrophobicContact CG2-CD1 4.06Å; T49-F277 HydrophobicContact CG2-CD2 3.33Å; T49-F277 HydrophobicContact CG2-CE1 4.23Å; T49-F277 HydrophobicContact CG2-CE2 3.53Å; T49-F277 HydrophobicContact CG2-CG 3.58Å; T49-F277 HydrophobicContact CG2-CZ 3.97Å
50	L	40.1	Very low	54.9	Low	158 Å²	158	64.4 Å²	64.4	83%	0.827	31%	0.312	S	S	*	.	S	Bend	trans	-69.8	17.9	171.4	-64.5	171.5	0	0	0	113
51	Q	43	Very low	56.4	Low	103 Å²	103	65 Å²	65	48%	0.481	32%	0.315	S	S	.	.	S	Bend	trans	-133.7	151.6	-174.1	-55.9	177.3	3.1	0	0	107.8	T49 C53	T49-Q51 PolarHBondContact O-N 2.73Å; T49-Q51 PolarHBondContact OG1-N 2.99Å; T49-Q51 PolarHBondContact OG1-O 3.39Å; T49-Q51 VanDerWaalsContact OG1-O 3.05Å; Q51-C53 PolarHBondContact O-N 3.1Å; Q51-C53 VanDerWaalsContact O-N 3.08Å
52	R	44.8	Very low	58	Low	187 Å²	187	58.1 Å²	58.1	71%	0.706	29%	0.286	S	S	*	.			trans	-72.9	101.7	168.1	-73.3	179.5	174.5	165.1	-4.4	108	R54 G211	R52-R54 PolarHBondContact O-N 3.25Å; R52-G211 PolarHBondContact NH2-O 2.97Å
53	C	53.2	Low	59.7	Low	21 Å²	21	53.2 Å²	53.2	14%	0.142	26%	0.258	C	S	.	.			trans	-52.2	120.9	166.7	-55.3	0	0	0	0	108.1	C46 Q51 D66	C46-C53 PolarHBondContact O-SG 2.95Å; C46-C53 VanDerWaalsContact O-SG 3.33Å; Q51-C53 PolarHBondContact O-N 3.1Å; Q51-C53 VanDerWaalsContact O-N 3.08Å; C53-D66 VanDerWaalsContact CA-OD2 3.32Å; C53-D66 WeakPolarHBondContact CA-OD2 3.26Å
54	R	58.9	Low	61	Low	196 Å²	196	51.5 Å²	51.5	74%	0.74	25%	0.251	S	S	*	.	S	Bend	trans	-87.2	-55.5	-175.5	-73.8	179.1	170.7	179	-6.1	110.7	R52 P56 D66	R52-R54 PolarHBondContact O-N 3.25Å; R54-P56 VanDerWaalsContact O-CD 3.26Å; R54-P56 WeakPolarHBondContact O-CD 3.4Å; R54-D66 PolarHBondContact N-OD2 3.27Å
55	D	73.9	Confident	62.3	Low	90 Å²	90	50.4 Å²	50.4	48%	0.481	25%	0.245	S	C	.	.	S	Bend	trans	-115.7	86.9	-179.5	-72.5	-58.3	0	0	0	109.7	V57 Y67	D55-V57 PolarHBondContact O-N 3.06Å; D55-Y67 PolarHBondContact O-N 3.3Å
56	P	76.8	Confident	63.5	Low	21 Å²	21	50.3 Å²	50.3	14%	0.136	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.8	178.1	26.4	-32.7	0	0	0	111.5	R54 L64 F65 V195 F197	R54-P56 VanDerWaalsContact O-CD 3.26Å; R54-P56 WeakPolarHBondContact O-CD 3.4Å; P56-L64 HydrophobicContact CB-CD1 3.96Å; P56-F65 WeakPolarHBondContact CA-O 3.44Å; P56-V195 PolarHBondContact O-N 3.04Å; P56-F197 HydrophobicContact CB-CD2 4.46Å; P56-F197 HydrophobicContact CB-CE2 3.98Å; P56-F197 HydrophobicContact CG-CD2 3.99Å; P56-F197 HydrophobicContact CG-CE2 4.01Å
57	V	81.6	Confident	65	Low	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	-173.6	168	0	0	0	0	110.7	D55 F65 Y67 L192 L193	D55-V57 PolarHBondContact O-N 3.06Å; V57-F65 PolarHBondContact N-O 3.1Å; V57-F65 PolarHBondContact O-N 2.82Å; V57-Y67 HydrophobicContact CG2-CD2 4.04Å; V57-Y67 HydrophobicContact CG2-CG 4.37Å; V57-L192 HydrophobicContact CG1-CB 3.65Å; V57-L192 HydrophobicContact CG1-CD1 4.34Å; V57-L192 HydrophobicContact CG1-CD2 4.01Å; V57-L192 HydrophobicContact CG1-CG 4.21Å; V57-L193 CarbonylContact C-O 3.57Å; V57-L193 WeakPolarHBondContact CA-O 3.45Å
58	V	83.6	Confident	66.3	Low	1 Å²	1	56.4 Å²	56.4	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139	-175.2	162.9	0	0	0	0	111.8	Y63 L64 L193 V195 I268 L270	V58-Y63 WeakPolarHBondContact CA-O 3.2Å; V58-L64 HydrophobicContact CG2-CB 4.46Å; V58-L64 HydrophobicContact CG2-CD1 3.55Å; V58-L193 PolarHBondContact N-O 2.03Å; V58-L193 PolarHBondContact O-N 2.54Å; V58-V195 HydrophobicContact CB-CG2 3.86Å; V58-V195 HydrophobicContact CG2-CG2 3.43Å; V58-V195 VanDerWaalsContact CG2-CG2 3.43Å; V58-I268 HydrophobicContact CG1-CG2 3.81Å; V58-L270 HydrophobicContact CG1-CD2 4.17Å; V58-L270 HydrophobicContact CG2-CD2 3.76Å
59	T	82.5	Confident	67.4	Low	2 Å²	2	55.3 Å²	55.3	1%	0.012	26%	0.26	C	S	.	.			trans	-81.9	158.5	169	66.7	0	0	0	0	110.9	E61 G62 Y63 F65 I70 L187 L192	T59-E61 PolarHBondContact O-N 3.21Å; T59-G62 PolarHBondContact O-N 2.8Å; T59-Y63 PolarHBondContact N-O 2.72Å; T59-Y63 VanDerWaalsContact N-O 3.08Å; T59-Y63 PolarHBondContact OG1-N 2.93Å; T59-F65 HydrophobicContact CG2-CD2 4.15Å; T59-F65 HydrophobicContact CG2-CE2 3.74Å; T59-I70 HydrophobicContact CG2-CD1 4.38Å; T59-L187 HydrophobicContact CG2-CD1 4.03Å; T59-L192 HydrophobicContact CG2-CD2 4.02Å
60	P	79.1	Confident	69.4	Low	82 Å²	82	54.4 Å²	54.4	53%	0.532	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.2	178.6	26.7	-36.5	0	0	0	113.9	D191	P60-D191 WeakPolarHBondContact CD-O 3.47Å
61	E	76.2	Confident	71.4	Confident	45 Å²	45	49.4 Å²	49.4	21%	0.21	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.2	174.7	-56.3	-164.6	94.2	0	0	113.9	T59 Y63 T183 K185 R271	T59-E61 PolarHBondContact O-N 3.21Å; E61-Y63 HydrophobicContact CB-CD2 3.88Å; E61-Y63 HydrophobicContact CB-CE2 4.02Å; E61-T183 WeakPolarHBondContact OE2-CB 3.32Å; E61-T183 VanDerWaalsContact OE2-CG2 3.31Å; E61-T183 WeakPolarHBondContact OE2-CG2 3.46Å; E61-T183 PolarHBondContact OE2-OG1 3.28Å; E61-K185 VanDerWaalsContact OE1-CD 3.3Å; E61-K185 WeakPolarHBondContact OE1-CD 3.27Å; E61-K185 WeakPolarHBondContact OE1-CE 3.35Å; E61-K185 IonicContact OE1-NZ 3.33Å; E61-K185 PolarHBondContact OE1-NZ 3.21Å; E61-R271 WeakPolarHBondContact O-CG 3.15Å
62	G	73.4	Confident	73	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	86.9	19.9	176.2	0	0	0	0	0	115.8	T59 F269 R271	T59-G62 PolarHBondContact O-N 2.8Å; G62-F269 WeakPolarHBondContact CA-O 3.47Å; G62-R271 PolarHBondContact O-N 2.68Å
63	Y	75.6	Confident	74.7	Confident	33 Å²	33	39.8 Å²	39.8	13%	0.129	19%	0.189	C	C	.	.			trans	-97.4	134.6	178.2	-67.1	-90.2	0	0	0	112	V58 T59 E61 V182 T183 R271	V58-Y63 WeakPolarHBondContact CA-O 3.2Å; T59-Y63 PolarHBondContact N-O 2.72Å; T59-Y63 VanDerWaalsContact N-O 3.08Å; T59-Y63 PolarHBondContact OG1-N 2.93Å; E61-Y63 HydrophobicContact CB-CD2 3.88Å; E61-Y63 HydrophobicContact CB-CE2 4.02Å; Y63-V182 HydrophobicContact CD1-CB 4.34Å; Y63-V182 HydrophobicContact CD1-CG1 3.99Å; Y63-V182 HydrophobicContact CE1-CB 4.32Å; Y63-V182 HydrophobicContact CE1-CG1 3.54Å; Y63-T183 HydrophobicContact CD2-CG2 3.81Å; Y63-T183 HydrophobicContact CE2-CG2 3.2Å; Y63-R271 HydrophobicContact CD1-CB 4.23Å; Y63-R271 HydrophobicContact CD2-CG 4.08Å; Y63-R271 HydrophobicContact CE1-CB 3.99Å; Y63-R271 HydrophobicContact CE1-CG 4.12Å; Y63-R271 HydrophobicContact CE2-CB 4.38Å; Y63-R271 HydrophobicContact CE2-CG 3.65Å; Y63-R271 HydrophobicContact CG-CG 4.49Å
64	L	73	Confident	76.2	Confident	21 Å²	21	39.3 Å²	39.3	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.3	-176.6	-169.6	70.2	0	0	0	112.5	C45 P56 V58 T275 G276	C45-L64 WeakPolarHBondContact O-CD2 3.42Å; P56-L64 HydrophobicContact CB-CD1 3.96Å; V58-L64 HydrophobicContact CG2-CB 4.46Å; V58-L64 HydrophobicContact CG2-CD1 3.55Å; L64-T275 HydrophobicContact CB-CG2 4.37Å; L64-T275 HydrophobicContact CD2-CG2 4.44Å; L64-T275 VanDerWaalsContact O-CA 3.25Å; L64-T275 WeakPolarHBondContact O-CA 3.21Å; L64-G276 PolarHBondContact O-N 2.93Å
65	F	71.6	Confident	77.4	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.5	176.1	-63	-103.8	0	0	0	110.1	P56 V57 T59 I70 P181 T280	P56-F65 WeakPolarHBondContact CA-O 3.44Å; V57-F65 PolarHBondContact N-O 3.1Å; V57-F65 PolarHBondContact O-N 2.82Å; T59-F65 HydrophobicContact CG2-CD2 4.15Å; T59-F65 HydrophobicContact CG2-CE2 3.74Å; F65-I70 HydrophobicContact CB-CB 4.19Å; F65-I70 HydrophobicContact CB-CD1 3.94Å; F65-I70 HydrophobicContact CB-CG1 4.28Å; F65-I70 HydrophobicContact CD1-CB 4.28Å; F65-I70 HydrophobicContact CD1-CD1 3.69Å; F65-I70 HydrophobicContact CD1-CG1 3.68Å; F65-I70 HydrophobicContact CD2-CD1 3.5Å; F65-I70 VanDerWaalsContact CD2-CD1 3.5Å; F65-I70 HydrophobicContact CD2-CG1 4.41Å; F65-I70 HydrophobicContact CE1-CD1 3.92Å; F65-I70 HydrophobicContact CE1-CG1 3.96Å; F65-I70 HydrophobicContact CE2-CD1 3.77Å; F65-I70 HydrophobicContact CG-CB 4.36Å; F65-I70 HydrophobicContact CG-CD1 3.46Å; F65-I70 VanDerWaalsContact CG-CD1 3.46Å; F65-I70 HydrophobicContact CG-CG1 3.91Å; F65-I70 HydrophobicContact CZ-CD1 3.96Å; F65-I70 HydrophobicContact CZ-CG1 4.46Å; F65-P181 HydrophobicContact CE1-CG 3.62Å; F65-P181 HydrophobicContact CZ-CG 3.85Å; F65-T280 HydrophobicContact CE1-CG2 4.31Å
66	D	71.3	Confident	77.8	Confident	15 Å²	15	34.5 Å²	34.5	8%	0.08	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	139.4	157.8	-168.9	-57.5	0	0	0	108.5	C53 R54 E68 A69 I70 F277	C53-D66 VanDerWaalsContact CA-OD2 3.32Å; C53-D66 WeakPolarHBondContact CA-OD2 3.26Å; R54-D66 PolarHBondContact N-OD2 3.27Å; D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 2.76Å; D66-E68 PolarHBondContact OD1-N 2.9Å; D66-A69 PolarHBondContact O-N 2.83Å; D66-I70 PolarHBondContact O-N 2.93Å; D66-F277 HydrophobicContact CB-CE2 3.4Å; D66-F277 VanDerWaalsContact CB-CE2 3.4Å; D66-F277 HydrophobicContact CB-CZ 3.38Å; D66-F277 VanDerWaalsContact N-CE2 3.25Å
67	Y	78.3	Confident	78.1	Confident	75 Å²	75	35.5 Å²	35.5	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-53.1	-45.7	-179.7	-174.3	-114.5	0	0	0	113.3	D55 V57 A69 L71	D55-Y67 PolarHBondContact O-N 3.3Å; V57-Y67 HydrophobicContact CG2-CD2 4.04Å; V57-Y67 HydrophobicContact CG2-CG 4.37Å; Y67-A69 VanDerWaalsContact C-N 3.26Å; Y67-A69 PolarHBondContact O-N 2.97Å; Y67-L71 HydrophobicContact CE1-CD1 3.91Å; Y67-L71 HydrophobicContact CE2-CD1 4.49Å; Y67-L71 VanDerWaalsContact O-CB 3.25Å; Y67-L71 WeakPolarHBondContact O-CB 3.35Å; Y67-L71 PolarHBondContact O-N 3.05Å; Y67-L71 VanDerWaalsContact O-N 3.11Å
68	E	71.3	Confident	78.3	Confident	88 Å²	88	41.6 Å²	41.6	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-37	-178.8	-83.7	-159.5	-138.7	0	0	112.4	D66 K72 L284	D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 2.76Å; D66-E68 PolarHBondContact OD1-N 2.9Å; E68-K72 WeakPolarHBondContact O-CD 3.42Å; E68-K72 WeakPolarHBondContact O-CG 3.41Å; E68-K72 PolarHBondContact O-N 2.92Å; E68-K72 IonicContact OE2-NZ 2.67Å; E68-K72 PolarHBondContact OE2-NZ 2.85Å; E68-L284 HydrophobicContact CB-CD2 3.89Å
69	A	69.6	Low	78.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-79	-37.9	-173.7	0	0	0	0	0	112.4	D66 Y67 L71 Y73 F277 L284	D66-A69 PolarHBondContact O-N 2.83Å; Y67-A69 VanDerWaalsContact C-N 3.26Å; Y67-A69 PolarHBondContact O-N 2.97Å; A69-L71 VanDerWaalsContact C-N 3.33Å; A69-Y73 WeakPolarHBondContact O-CB 3.29Å; A69-Y73 PolarHBondContact O-N 2.92Å; A69-F277 HydrophobicContact CB-CD1 3.86Å; A69-F277 HydrophobicContact CB-CE1 3.27Å; A69-F277 HydrophobicContact CB-CE2 4.35Å; A69-F277 HydrophobicContact CB-CZ 3.58Å; A69-L284 HydrophobicContact CB-CD1 3.72Å; A69-L284 HydrophobicContact CB-CD2 4.12Å
70	I	78.9	Confident	78.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-34.4	175.1	-136.6	179.1	0	0	0	111.1	T59 F65 D66 Y73 I74 L187 L192	T59-I70 HydrophobicContact CG2-CD1 4.38Å; F65-I70 HydrophobicContact CB-CB 4.19Å; F65-I70 HydrophobicContact CB-CD1 3.94Å; F65-I70 HydrophobicContact CB-CG1 4.28Å; F65-I70 HydrophobicContact CD1-CB 4.28Å; F65-I70 HydrophobicContact CD1-CD1 3.69Å; F65-I70 HydrophobicContact CD1-CG1 3.68Å; F65-I70 HydrophobicContact CD2-CD1 3.5Å; F65-I70 VanDerWaalsContact CD2-CD1 3.5Å; F65-I70 HydrophobicContact CD2-CG1 4.41Å; F65-I70 HydrophobicContact CE1-CD1 3.92Å; F65-I70 HydrophobicContact CE1-CG1 3.96Å; F65-I70 HydrophobicContact CE2-CD1 3.77Å; F65-I70 HydrophobicContact CG-CB 4.36Å; F65-I70 HydrophobicContact CG-CD1 3.46Å; F65-I70 VanDerWaalsContact CG-CD1 3.46Å; F65-I70 HydrophobicContact CG-CG1 3.91Å; F65-I70 HydrophobicContact CZ-CD1 3.96Å; F65-I70 HydrophobicContact CZ-CG1 4.46Å; D66-I70 PolarHBondContact O-N 2.93Å; I70-Y73 PolarHBondContact O-N 3.42Å; I70-I74 HydrophobicContact CG2-CD1 4.44Å; I70-I74 WeakPolarHBondContact O-CD1 3.45Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3.42Å; I70-L187 HydrophobicContact CD1-CD2 3.78Å; I70-L187 HydrophobicContact CG1-CD2 4.19Å; I70-L192 HydrophobicContact CD1-CD2 4.01Å; I70-L192 HydrophobicContact CG2-CD1 3.72Å
71	L	81.9	Confident	78.6	Confident	54 Å²	54	49.6 Å²	49.6	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-68.1	-43.5	-178.3	-173.5	150.7	0	0	0	111.7	Y67 A69 I74 L75 L189	Y67-L71 HydrophobicContact CE1-CD1 3.91Å; Y67-L71 HydrophobicContact CE2-CD1 4.49Å; Y67-L71 VanDerWaalsContact O-CB 3.25Å; Y67-L71 WeakPolarHBondContact O-CB 3.35Å; Y67-L71 PolarHBondContact O-N 3.05Å; Y67-L71 VanDerWaalsContact O-N 3.11Å; A69-L71 VanDerWaalsContact C-N 3.33Å; L71-I74 PolarHBondContact O-N 3.03Å; L71-L75 HydrophobicContact CD2-CD1 3.78Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.33Å; L71-L189 HydrophobicContact CD1-CD1 4.39Å; L71-L189 HydrophobicContact CG-CD1 4.46Å
72	K	77.1	Confident	79	Confident	71 Å²	71	50.7 Å²	50.7	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-45.4	175.3	-69.3	164.6	-167.9	165	0	111	E68 I74 L75 H76 E282 L284	E68-K72 WeakPolarHBondContact O-CD 3.42Å; E68-K72 WeakPolarHBondContact O-CG 3.41Å; E68-K72 PolarHBondContact O-N 2.92Å; E68-K72 IonicContact OE2-NZ 2.67Å; E68-K72 PolarHBondContact OE2-NZ 2.85Å; K72-I74 VanDerWaalsContact C-N 3.34Å; K72-I74 PolarHBondContact O-N 3.01Å; K72-L75 CarbonylContact O-C 3.56Å; K72-L75 WeakPolarHBondContact O-CA 3.39Å; K72-L75 WeakPolarHBondContact O-CB 3.36Å; K72-L75 PolarHBondContact O-N 2.93Å; K72-H76 PolarHBondContact O-N 2.96Å; K72-E282 WeakPolarHBondContact CB-OE2 3.45Å; K72-L284 HydrophobicContact CD-CD2 4.18Å; K72-L284 HydrophobicContact CD-CG 3.97Å
73	Y	81.8	Confident	79.6	Confident	17 Å²	17	59.9 Å²	59.9	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-42	178.3	174.3	-93.7	0	0	0	113	A69 I70 L75 H76 H77 V178 L179 P181 T280 E282	A69-Y73 WeakPolarHBondContact O-CB 3.29Å; A69-Y73 PolarHBondContact O-N 2.92Å; I70-Y73 PolarHBondContact O-N 3.42Å; Y73-L75 VanDerWaalsContact C-N 3.3Å; Y73-L75 PolarHBondContact O-N 3.11Å; Y73-H76 PolarHBondContact O-N 3.3Å; Y73-H77 AromaticContact CD2-CD2 3.76Å; Y73-H77 AromaticContact CE1-CD2 3.85Å; Y73-H77 AromaticContact CE2-CD2 3.21Å; Y73-H77 WeakPolarHBondContact CE2-CD2 3.47Å; Y73-H77 AromaticContact CE2-NE2 3.2Å; Y73-H77 WeakPolarHBondContact CE2-NE2 3.47Å; Y73-H77 AromaticContact CZ-CD2 3.24Å; Y73-H77 AromaticContact CZ-NE2 3.5Å; Y73-H77 PolarHBondContact O-N 3.43Å; Y73-H77 VanDerWaalsContact O-N 3.14Å; Y73-H77 PolarHBondContact OH-CD2 2.55Å; Y73-H77 PolarHBondContact OH-NE2 2.85Å; Y73-V178 HydrophobicContact CE1-CG1 4.26Å; Y73-L179 WeakPolarHBondContact CE1-O 3.41Å; Y73-L179 PolarHBondContact OH-O 3.23Å; Y73-P181 HydrophobicContact CE1-CB 4.1Å; Y73-P181 HydrophobicContact CE1-CG 4.1Å; Y73-P181 HydrophobicContact CE2-CB 4.05Å; Y73-T280 HydrophobicContact CD1-CG2 4.37Å; Y73-T280 HydrophobicContact CD2-CG2 3.75Å; Y73-T280 HydrophobicContact CE2-CG2 4.4Å; Y73-T280 HydrophobicContact CG-CG2 3.73Å; Y73-E282 VanDerWaalsContact CA-CD 3.49Å; Y73-E282 WeakPolarHBondContact CA-OE1 3.43Å; Y73-E282 WeakPolarHBondContact CA-OE2 3.34Å; Y73-E282 PolarHBondContact N-OE1 2.93Å; Y73-E282 PolarHBondContact N-OE2 3.03Å
74	I	84	Confident	80	Confident	11 Å²	11	63 Å²	63	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-34.9	175.5	-69	164.6	0	0	0	111.5	I70 L71 K72 K78 V178 L187 L189	I70-I74 HydrophobicContact CG2-CD1 4.44Å; I70-I74 WeakPolarHBondContact O-CD1 3.45Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3.42Å; L71-I74 PolarHBondContact O-N 3.03Å; K72-I74 VanDerWaalsContact C-N 3.34Å; K72-I74 PolarHBondContact O-N 3.01Å; I74-K78 VanDerWaalsContact O-CG 3.32Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 3Å; I74-V178 HydrophobicContact CG1-CG1 4.2Å; I74-L187 HydrophobicContact CD1-CD2 3.98Å; I74-L187 HydrophobicContact CD1-CG 4.37Å; I74-L187 HydrophobicContact CG1-CD2 4.35Å; I74-L189 HydrophobicContact CD1-CD1 4.21Å
75	L	83.8	Confident	80.5	Confident	92 Å²	92	68.1 Å²	68.1	48%	0.482	31%	0.311	S	S	.	.	H	α-helix	trans	-74.4	-37.4	176.6	-67.4	171.8	0	0	0	112.5	L71 K72 Y73 K79	L71-L75 HydrophobicContact CD2-CD1 3.78Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.33Å; K72-L75 CarbonylContact O-C 3.56Å; K72-L75 WeakPolarHBondContact O-CA 3.39Å; K72-L75 WeakPolarHBondContact O-CB 3.36Å; K72-L75 PolarHBondContact O-N 2.93Å; Y73-L75 VanDerWaalsContact C-N 3.3Å; Y73-L75 PolarHBondContact O-N 3.11Å; L75-K79 PolarHBondContact O-N 3.44Å
76	H	82.3	Confident	81.1	Confident	92 Å²	92	74.8 Å²	74.8	43%	0.426	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-53.6	176.9	177	-90	0	0	0	111.9	K72 Y73 K78 K79 E80 E282	K72-H76 PolarHBondContact O-N 2.96Å; Y73-H76 PolarHBondContact O-N 3.3Å; H76-K78 VanDerWaalsContact C-N 3.3Å; H76-K78 PolarHBondContact O-N 2.85Å; H76-K79 WeakPolarHBondContact O-CB 3.42Å; H76-K79 PolarHBondContact O-N 3.42Å; H76-E80 IonicContact CE1-OE2 2.73Å; H76-E80 PolarHBondContact O-N 2.93Å; H76-E282 WeakPolarHBondContact CB-OE1 3.38Å; H76-E282 IonicContact CG-OE1 2.66Å
77	H	83.6	Confident	81.7	Confident	42 Å²	42	79.1 Å²	79.1	19%	0.194	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-28.9	-176.8	-84.2	-62.3	0	0	0	114	Y73 K79 E80 N81 V178	Y73-H77 AromaticContact CD2-CD2 3.76Å; Y73-H77 AromaticContact CE1-CD2 3.85Å; Y73-H77 AromaticContact CE2-CD2 3.21Å; Y73-H77 WeakPolarHBondContact CE2-CD2 3.47Å; Y73-H77 AromaticContact CE2-NE2 3.2Å; Y73-H77 WeakPolarHBondContact CE2-NE2 3.47Å; Y73-H77 AromaticContact CZ-CD2 3.24Å; Y73-H77 AromaticContact CZ-NE2 3.5Å; Y73-H77 PolarHBondContact O-N 3.43Å; Y73-H77 VanDerWaalsContact O-N 3.14Å; Y73-H77 PolarHBondContact OH-CD2 2.55Å; Y73-H77 PolarHBondContact OH-NE2 2.85Å; H77-K79 VanDerWaalsContact C-N 3.33Å; H77-K79 PolarHBondContact O-N 2.86Å; H77-E80 IonicContact CE1-OE2 2.95Å; H77-E80 PolarHBondContact CE1-OE2 3.28Å; H77-E80 VanDerWaalsContact CE1-OE2 3.29Å; H77-E80 IonicContact ND1-OE2 2.83Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 VanDerWaalsContact ND1-OE2 3.16Å; H77-E80 PolarHBondContact O-N 3.05Å; H77-N81 WeakPolarHBondContact O-CB 3.49Å; H77-N81 PolarHBondContact O-N 3.48Å; H77-N81 PolarHBondContact O-OD1 3.04Å; H77-V178 HydrophobicContact CB-CG1 4.27Å; H77-V178 HydrophobicContact CB-CG2 4.26Å
78	K	85	Confident	82	Confident	129 Å²	129	78 Å²	78	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-60.1	-42.3	169.6	-77.2	178.3	179.2	-175.2	0	112.3	I74 H76 A82 V178	I74-K78 VanDerWaalsContact O-CG 3.32Å; I74-K78 WeakPolarHBondContact O-CG 3.31Å; I74-K78 PolarHBondContact O-N 3Å; H76-K78 VanDerWaalsContact C-N 3.3Å; H76-K78 PolarHBondContact O-N 2.85Å; K78-A82 PolarHBondContact O-N 2.86Å; K78-V178 HydrophobicContact CG-CG2 3.65Å
79	K	84.5	Confident	82.5	Confident	165 Å²	165	78.6 Å²	78.6	72%	0.717	36%	0.361	S	S	*	.	H	α-helix	trans	-69.5	-41.8	176.9	-67.1	176.6	178.2	-177.4	0	111.9	L75 H76 H77 R83	L75-K79 PolarHBondContact O-N 3.44Å; H76-K79 WeakPolarHBondContact O-CB 3.42Å; H76-K79 PolarHBondContact O-N 3.42Å; H77-K79 VanDerWaalsContact C-N 3.33Å; H77-K79 PolarHBondContact O-N 2.86Å; K79-R83 PolarHBondContact O-N 3.06Å
80	E	83.7	Confident	83.3	Confident	58 Å²	58	82.4 Å²	82.4	27%	0.271	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-42.7	-178.6	-161.1	-165.2	164.9	0	0	112.5	H76 H77 R83 K84	H76-E80 IonicContact CE1-OE2 2.73Å; H76-E80 PolarHBondContact O-N 2.93Å; H77-E80 IonicContact CE1-OE2 2.95Å; H77-E80 PolarHBondContact CE1-OE2 3.28Å; H77-E80 VanDerWaalsContact CE1-OE2 3.29Å; H77-E80 IonicContact ND1-OE2 2.83Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 VanDerWaalsContact ND1-OE2 3.16Å; H77-E80 PolarHBondContact O-N 3.05Å; E80-R83 PolarHBondContact O-N 3.31Å; E80-K84 PolarHBondContact O-N 3.03Å; E80-K84 WeakPolarHBondContact OE1-CE 3.44Å; E80-K84 IonicContact OE1-NZ 3.76Å; E80-K84 PolarHBondContact OE1-NZ 3.32Å
81	N	84.7	Confident	83.6	Confident	29 Å²	29	84.8 Å²	84.8	16%	0.155	39%	0.39	C	S	.	.	H	α-helix	trans	-67.3	-38	-179.7	-66.5	-1.4	0	0	0	111.5	H77 R83 K84 R85 A175	H77-N81 WeakPolarHBondContact O-CB 3.49Å; H77-N81 PolarHBondContact O-N 3.48Å; H77-N81 PolarHBondContact O-OD1 3.04Å; N81-R83 PolarHBondContact O-N 2.7Å; N81-K84 PolarHBondContact O-N 3.22Å; N81-R85 PolarHBondContact O-N 2.87Å; N81-R85 VanDerWaalsContact O-N 3.17Å; N81-A175 PolarHBondContact ND2-O 2.62Å
82	A	82.9	Confident	83.8	Confident	68 Å²	68	85.4 Å²	85.4	56%	0.562	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-42	172.4	0	0	0	0	0	112.3	K78 R85	K78-A82 PolarHBondContact O-N 2.86Å; A82-R85 PolarHBondContact O-N 3.45Å
83	R	86	Confident	84.2	Confident	196 Å²	196	84.7 Å²	84.7	74%	0.74	40%	0.401	S	S	*	.	H	α-helix	trans	-63.7	-42.3	175.3	-178.8	-178.5	175.9	-171	-0.2	112.5	K79 E80 N81 R85	K79-R83 PolarHBondContact O-N 3.06Å; E80-R83 PolarHBondContact O-N 3.31Å; N81-R83 PolarHBondContact O-N 2.7Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.26Å
84	K	83.9	Confident	84.3	Confident	97 Å²	97	90 Å²	90	42%	0.422	43%	0.426	S	S	.	.	H	α-helix	trans	-67.5	-27.4	-178.4	-76.2	175.6	179.1	167.1	0	113.4	E80 N81 Y88 P174	E80-K84 PolarHBondContact O-N 3.03Å; E80-K84 WeakPolarHBondContact OE1-CE 3.44Å; E80-K84 IonicContact OE1-NZ 3.76Å; E80-K84 PolarHBondContact OE1-NZ 3.32Å; N81-K84 PolarHBondContact O-N 3.22Å; K84-Y88 PolarHBondContact O-N 3.46Å; K84-P174 HydrophobicContact CB-CB 3.94Å; K84-P174 HydrophobicContact CB-CG 4.32Å
85	R	83.8	Confident	84.5	Confident	129 Å²	129	93 Å²	93	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-64.6	-51.3	-178.4	180	167.5	172.4	161.6	-4.1	112.1	N81 A82 R83 L87 Y88 E89 P174 D176	N81-R85 PolarHBondContact O-N 2.87Å; N81-R85 VanDerWaalsContact O-N 3.17Å; A82-R85 PolarHBondContact O-N 3.45Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.26Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 2.76Å; R85-Y88 PolarHBondContact O-N 3.06Å; R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 2.73Å; R85-E89 IonicContact NE-OE1 2.65Å; R85-E89 PolarHBondContact NE-OE1 2.96Å; R85-E89 IonicContact NH2-OE1 2.7Å; R85-E89 PolarHBondContact O-N 2.97Å; R85-E89 VanDerWaalsContact O-N 3.11Å; R85-P174 HydrophobicContact CB-CG 3.82Å; R85-P174 HydrophobicContact CG-CG 4.49Å; R85-D176 IonicContact NH1-OD1 2.71Å
86	K	85.7	Confident	84.6	Confident	142 Å²	142	94.9 Å²	94.9	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-53.4	-47.7	177.5	-173.2	173.3	-179.3	177.1	0	112.3	Y88 E89 D90	K86-Y88 PolarHBondContact O-N 3.35Å; K86-E89 PolarHBondContact O-N 2.81Å; K86-D90 PolarHBondContact O-N 3.26Å
87	L	83.1	Confident	85	Confident	106 Å²	106	97.2 Å²	97.2	56%	0.555	46%	0.455	S	S	*	.	H	α-helix	trans	-66.1	-18.5	-179.7	-64.6	174.1	0	0	0	114.7	R85	R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 2.76Å
88	Y	84.5	Confident	85	Confident	53 Å²	53	99.9 Å²	99.9	21%	0.208	47%	0.467	C	S	.	.	H	α-helix	trans	-88.5	-37.9	175.2	-179.5	-102.4	0	0	0	111.4	K84 R85 K86 D90 Y91 L92 P171 P173	K84-Y88 PolarHBondContact O-N 3.46Å; R85-Y88 PolarHBondContact O-N 3.06Å; K86-Y88 PolarHBondContact O-N 3.35Å; Y88-D90 VanDerWaalsContact C-N 3.32Å; Y88-Y91 PolarHBondContact O-N 2.95Å; Y88-L92 HydrophobicContact CD1-CD1 4.3Å; Y88-L92 HydrophobicContact CE1-CD1 3.61Å; Y88-L92 HydrophobicContact CE1-CG 4.16Å; Y88-L92 PolarHBondContact O-N 2.87Å; Y88-P171 HydrophobicContact CD2-CB 4.33Å; Y88-P171 HydrophobicContact CD2-CG 4.31Å; Y88-P171 WeakPolarHBondContact CE2-O 3.24Å; Y88-P173 HydrophobicContact CD1-CB 4.02Å; Y88-P173 HydrophobicContact CE1-CB 3.73Å; Y88-P173 HydrophobicContact CE1-CG 4.38Å
89	E	82.6	Confident	85.2	Confident	99 Å²	99	97.7 Å²	97.7	46%	0.463	46%	0.461	S	S	.	.	H	α-helix	trans	-59.7	-42.9	171.2	-67.3	160.7	171.5	0	0	110.2	R85 K86 Y91	R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 3.45Å; R85-E89 IonicContact CZ-OE1 2.73Å; R85-E89 IonicContact NE-OE1 2.65Å; R85-E89 PolarHBondContact NE-OE1 2.96Å; R85-E89 IonicContact NH2-OE1 2.7Å; R85-E89 PolarHBondContact O-N 2.97Å; R85-E89 VanDerWaalsContact O-N 3.11Å; K86-E89 PolarHBondContact O-N 2.81Å; E89-Y91 VanDerWaalsContact C-N 3.28Å; E89-Y91 PolarHBondContact O-N 3.49Å
90	D	86.6	Confident	85.3	Confident	80 Å²	80	96 Å²	96	43%	0.428	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-27	174.7	-64.3	-34.9	0	0	0	114.1	K86 Y88	K86-D90 PolarHBondContact O-N 3.26Å; Y88-D90 VanDerWaalsContact C-N 3.32Å
91	Y	84.8	Confident	85.4	Confident	50 Å²	50	99 Å²	99	20%	0.196	47%	0.474	C	S	.	.	H	α-helix	trans	-85.3	-41.6	-174	170.2	-91.7	0	0	0	113.3	Y88 E89 A93 Q94 K95 V170 P171	Y88-Y91 PolarHBondContact O-N 2.95Å; E89-Y91 VanDerWaalsContact C-N 3.28Å; E89-Y91 PolarHBondContact O-N 3.49Å; Y91-A93 VanDerWaalsContact C-N 3.28Å; Y91-A93 PolarHBondContact O-N 2.95Å; Y91-Q94 WeakPolarHBondContact O-CB 3.21Å; Y91-Q94 PolarHBondContact O-N 2.98Å; Y91-Q94 VanDerWaalsContact O-N 3.09Å; Y91-K95 HydrophobicContact CE1-CB 4.38Å; Y91-K95 HydrophobicContact CE1-CG 3.7Å; Y91-K95 HydrophobicContact CE2-CG 4.31Å; Y91-K95 PolarHBondContact O-N 2.86Å; Y91-K95 WeakPolarHBondContact OH-CE 3.28Å; Y91-K95 WeakPolarHBondContact OH-CG 3.47Å; Y91-V170 HydrophobicContact CE1-CG1 3.93Å; Y91-P171 HydrophobicContact CD1-CG 3.48Å; Y91-P171 VanDerWaalsContact CD1-CG 3.48Å; Y91-P171 HydrophobicContact CD2-CG 3.85Å; Y91-P171 HydrophobicContact CE1-CG 3.69Å; Y91-P171 HydrophobicContact CE2-CG 4.02Å; Y91-P171 HydrophobicContact CG-CG 3.56Å; Y91-P171 VanDerWaalsContact CZ-CD 3.4Å
92	L	84.7	Confident	85.4	Confident	67 Å²	67	104 Å²	104	35%	0.351	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-42.2	-178.1	-72.8	177	0	0	0	111.5	Y88 Q94 K95 E96	Y88-L92 HydrophobicContact CD1-CD1 4.3Å; Y88-L92 HydrophobicContact CE1-CD1 3.61Å; Y88-L92 HydrophobicContact CE1-CG 4.16Å; Y88-L92 PolarHBondContact O-N 2.87Å; L92-Q94 PolarHBondContact O-N 2.67Å; L92-K95 PolarHBondContact O-N 3.31Å; L92-E96 PolarHBondContact O-N 2.95Å; L92-E96 VanDerWaalsContact O-N 3.15Å
93	A	85.9	Confident	85.5	Confident	57 Å²	57	106.9 Å²	106.9	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-10.6	178	0	0	0	0	0	115.1	Y91	Y91-A93 VanDerWaalsContact C-N 3.28Å; Y91-A93 PolarHBondContact O-N 2.95Å
94	Q	85	Confident	85.3	Confident	127 Å²	127	105.3 Å²	105.3	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-92	-43.8	170.5	-61.2	179.4	2	0	0	110.8	Y91 L92 E96 K97 E98	Y91-Q94 WeakPolarHBondContact O-CB 3.21Å; Y91-Q94 PolarHBondContact O-N 2.98Å; Y91-Q94 VanDerWaalsContact O-N 3.09Å; L92-Q94 PolarHBondContact O-N 2.67Å; Q94-E96 PolarHBondContact O-N 2.94Å; Q94-K97 PolarHBondContact O-N 3.26Å; Q94-E98 PolarHBondContact O-N 3.46Å
95	K	87.3	Confident	85.4	Confident	75 Å²	75	102.8 Å²	102.8	33%	0.326	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-31.4	-176.3	-105.8	-75.5	168.7	-139.2	0	114.5	Y91 L92 K97 E98	Y91-K95 HydrophobicContact CE1-CB 4.38Å; Y91-K95 HydrophobicContact CE1-CG 3.7Å; Y91-K95 HydrophobicContact CE2-CG 4.31Å; Y91-K95 PolarHBondContact O-N 2.86Å; Y91-K95 WeakPolarHBondContact OH-CE 3.28Å; Y91-K95 WeakPolarHBondContact OH-CG 3.47Å; L92-K95 PolarHBondContact O-N 3.31Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K95-E98 WeakPolarHBondContact CE-OE2 3.49Å; K95-E98 IonicContact NZ-OE2 3.19Å; K95-E98 PolarHBondContact NZ-OE2 3.34Å
96	E	86.7	Confident	85.3	Confident	132 Å²	132	101.1 Å²	101.1	62%	0.617	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-37.8	178.8	-71.8	172.3	156.5	0	0	111.3	L92 Q94 L99	L92-E96 PolarHBondContact O-N 2.95Å; L92-E96 VanDerWaalsContact O-N 3.15Å; Q94-E96 PolarHBondContact O-N 2.94Å; E96-L99 PolarHBondContact O-N 2.9Å
97	K	89.6	Confident	85.1	Confident	141 Å²	141	101.1 Å²	101.1	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-67.8	-47.5	177.8	-57.2	-173.6	180	-169.9	0	112.7	Q94 K95 L99 E100 D101	Q94-K97 PolarHBondContact O-N 3.26Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 2.98Å; K97-E100 PolarHBondContact O-N 2.95Å; K97-D101 PolarHBondContact O-N 2.94Å
98	E	85.1	Confident	85	Confident	98 Å²	98	102.3 Å²	102.3	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-53.7	-31.3	178	-65.4	-179.3	155.2	0	0	112.7	Q94 K95	Q94-E98 PolarHBondContact O-N 3.46Å; K95-E98 WeakPolarHBondContact CE-OE2 3.49Å; K95-E98 IonicContact NZ-OE2 3.19Å; K95-E98 PolarHBondContact NZ-OE2 3.34Å
99	L	87.3	Confident	85	Confident	82 Å²	82	107.2 Å²	107.2	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-88.8	-6.3	-177.3	-92.8	170.7	0	0	0	114.6	E96 K97 K103	E96-L99 PolarHBondContact O-N 2.9Å; K97-L99 PolarHBondContact O-N 2.98Å; L99-K103 WeakPolarHBondContact O-CE 3.34Å; L99-K103 WeakPolarHBondContact O-CG 3.23Å; L99-K103 PolarHBondContact O-NZ 2.86Å
100	E	87.7	Confident	84.9	Confident	131 Å²	131	108.3 Å²	108.3	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-84.2	-50.3	170.8	-69	176.4	150.2	0	0	108.7	K97 E102 K103	K97-E100 PolarHBondContact O-N 2.95Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 3.19Å; E100-K103 PolarHBondContact O-N 2.84Å
101	D	86.6	Confident	84.6	Confident	121 Å²	121	109.2 Å²	109.2	65%	0.647	53%	0.528	S	S	*	.	H	α-helix	trans	-53.5	-40.4	177.7	-60	-23.9	0	0	0	113.9	K97 K103	K97-D101 PolarHBondContact O-N 2.94Å; D101-K103 PolarHBondContact O-N 3.14Å
102	E	83.1	Confident	84.1	Confident	132 Å²	132	115.6 Å²	115.6	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-69.4	-29.1	-176.9	-77.8	-169.8	151	0	0	114.3	E100	E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 3.19Å
103	K	85.4	Confident	83.5	Confident	129 Å²	129	121 Å²	121	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-76	-40.9	-169.5	-68.8	-177.5	-169.7	107.7	0	112.6	L99 E100 D101 A105 E106	L99-K103 WeakPolarHBondContact O-CE 3.34Å; L99-K103 WeakPolarHBondContact O-CG 3.23Å; L99-K103 PolarHBondContact O-NZ 2.86Å; E100-K103 PolarHBondContact O-N 2.84Å; D101-K103 PolarHBondContact O-N 3.14Å; K103-A105 PolarHBondContact O-N 2.91Å; K103-E106 PolarHBondContact O-N 2.81Å
104	E	83	Confident	82.9	Confident	163 Å²	163	127 Å²	127	76%	0.762	58%	0.584	S	S	*	*	H	α-helix	trans	-59.3	-41.9	177.5	-56.6	-164.9	146.8	0	0	110.1	E106	E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 3.37Å
105	A	84.2	Confident	82.3	Confident	45 Å²	45	128.4 Å²	128.4	37%	0.372	59%	0.59	S	S	.	*	H	α-helix	trans	-72.2	-10.5	-177.8	0	0	0	0	0	115.5	K103 R109	K103-A105 PolarHBondContact O-N 2.91Å; A105-R109 VanDerWaalsContact O-CZ 3.23Å; A105-R109 PolarHBondContact O-NE 3.39Å; A105-R109 PolarHBondContact O-NH2 2.9Å
106	E	82.2	Confident	80.5	Confident	93 Å²	93	130.5 Å²	130.5	44%	0.435	61%	0.609	S	S	.	*	H	α-helix	trans	-97.4	-34	175.6	-147.7	-149.4	179.7	0	0	113.3	K103 E104 E108 R109 K110	K103-E106 PolarHBondContact O-N 2.81Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 3.37Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.93Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 VanDerWaalsContact O-N 3.15Å; E106-K110 VanDerWaalsContact CD-CE 3.48Å; E106-K110 PolarHBondContact O-N 3.38Å; E106-K110 WeakPolarHBondContact OE1-CE 3.26Å; E106-K110 IonicContact OE1-NZ 2.79Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; E106-K110 IonicContact OE2-NZ 2.66Å; E106-K110 PolarHBondContact OE2-NZ 2.97Å
107	M	82.5	Confident	78.5	Confident	143 Å²	143	128 Å²	128	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-56.2	-46.8	176.7	-75.5	-74.7	-77	0	0	111.4	R109 K110	M107-R109 PolarHBondContact O-N 3.37Å; M107-K110 PolarHBondContact O-N 3.24Å
108	E	80.6	Confident	77.2	Confident	130 Å²	130	131.3 Å²	131.3	61%	0.607	63%	0.629	S	S	*	*	H	α-helix	trans	-59.3	-29.2	179.7	-162	-173.8	-164.4	0	0	113.3	E106	E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.93Å
109	R	85	Confident	75.5	Confident	157 Å²	157	130.3 Å²	130.3	59%	0.592	64%	0.638	S	S	*	*	H	α-helix	trans	-83.4	-25.6	-177.6	-79.3	-179.8	-79.6	164.4	-3.9	114.3	A105 E106 M107	A105-R109 VanDerWaalsContact O-CZ 3.23Å; A105-R109 PolarHBondContact O-NE 3.39Å; A105-R109 PolarHBondContact O-NH2 2.9Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 VanDerWaalsContact O-N 3.15Å; M107-R109 PolarHBondContact O-N 3.37Å
110	K	80	Confident	72.8	Confident	122 Å²	122	133.1 Å²	133.1	53%	0.53	66%	0.658	S	S	.	*	H	α-helix	trans	-82.3	-37.7	-177.1	-76.8	172.1	179.9	161.4	0	112.8	E106 M107 R112 R113	E106-K110 VanDerWaalsContact CD-CE 3.48Å; E106-K110 PolarHBondContact O-N 3.38Å; E106-K110 WeakPolarHBondContact OE1-CE 3.26Å; E106-K110 IonicContact OE1-NZ 2.79Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; E106-K110 IonicContact OE2-NZ 2.66Å; E106-K110 PolarHBondContact OE2-NZ 2.97Å; M107-K110 PolarHBondContact O-N 3.24Å; K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 2.84Å; K110-R113 PolarHBondContact O-N 2.88Å; K110-R113 VanDerWaalsContact O-N 3.14Å
111	V	80	Confident	70.4	Confident	99 Å²	99	132.6 Å²	132.6	60%	0.6	67%	0.666	S	S	*	*	H	α-helix	trans	-54.2	-48.3	177.3	179	0	0	0	0	110.8	R113 F114	V111-R113 PolarHBondContact O-N 2.77Å; V111-F114 PolarHBondContact O-N 2.81Å
112	R	74.9	Confident	68.2	Low	184 Å²	184	131.3 Å²	131.3	69%	0.694	67%	0.673	S	S	*	*	H	α-helix	trans	-63.9	-2.5	179.8	-65.7	-171.7	-179	-171.4	4.5	116.6	K110	K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 2.84Å
113	R	72.6	Confident	66.1	Low	179 Å²	179	137.6 Å²	137.6	68%	0.675	69%	0.691	S	S	*	*	H	α-helix	trans	-113.9	-15.7	-178.5	-79.6	-172.2	171.9	-166.4	-2.6	114.6	K110 V111 E115 T116	K110-R113 PolarHBondContact O-N 2.88Å; K110-R113 VanDerWaalsContact O-N 3.14Å; V111-R113 PolarHBondContact O-N 2.77Å; R113-E115 VanDerWaalsContact C-N 3.32Å; R113-T116 PolarHBondContact O-OG1 2.93Å
114	F	71.8	Confident	64	Low	185 Å²	185	142.2 Å²	142.2	81%	0.811	71%	0.705	S	S	*	*	H	α-helix	trans	-71.9	-30.7	-178.6	-176	-107.7	0	0	0	111.9	V111 T116	V111-F114 PolarHBondContact O-N 2.81Å; F114-T116 VanDerWaalsContact C-N 3.31Å; F114-T116 PolarHBondContact O-N 2.86Å
115	E	71.9	Confident	62.1	Low	155 Å²	155	141.7 Å²	141.7	72%	0.724	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-6.8	-168.2	-57.8	173.6	139.1	0	0	115.1	R113	R113-E115 VanDerWaalsContact C-N 3.32Å
116	T	51	Low	60.1	Low	119 Å²	119	145.7 Å²	145.7	73%	0.73	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	1	-163.9	60	0	0	0	0	116.6	R113 F114	R113-T116 PolarHBondContact O-OG1 2.93Å; F114-T116 VanDerWaalsContact C-N 3.31Å; F114-T116 PolarHBondContact O-N 2.86Å
117	A	43.3	Very low	58.2	Low	80 Å²	80	145.8 Å²	145.8	66%	0.661	74%	0.743	S	S	*	*			trans	-115.3	-8.6	-160.8	0	0	0	0	0	117.4	A119	A117-A119 VanDerWaalsContact C-N 3.27Å; A117-A119 PolarHBondContact O-N 2.98Å
118	E	63.4	Low	55.6	Low	210 Å²	210	141.7 Å²	141.7	98%	0.981	73%	0.729	S	S	*	*	S	Bend	trans	-84	48.9	-161.9	-153.6	171.9	-146.2	0	0	114.5
119	A	49.2	Very low	53	Low	78 Å²	78	142.5 Å²	142.5	65%	0.645	73%	0.732	S	S	*	*			trans	-118.9	-86.6	-158.1	0	0	0	0	0	118.5	A117 P121	A117-A119 VanDerWaalsContact C-N 3.27Å; A117-A119 PolarHBondContact O-N 2.98Å; A119-P121 WeakPolarHBondContact O-CD 3.02Å
120	T	30.5	Very low	49.8	Very low	141 Å²	141	142 Å²	142	87%	0.865	74%	0.742	S	S	*	*			trans	-108.5	118.6	-145.4	53.7	0	0	0	0	117.7
121	P	37.3	Very low	47.4	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	75%	0.747	S	S	*	*			trans	-113.3	171.3	166	40.1	-32.9	0	0	0	113.6	A119	A119-P121 WeakPolarHBondContact O-CD 3.02Å
122	A	40.5	Very low	44.9	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	76%	0.759	S	S	*	*			cis	-175.5	121.9	-34.3	0	0	0	0	0	109.8
123	R	38.9	Very low	42.5	Very low	264 Å²	264	142.9 Å²	142.9	100%	0.996	76%	0.764	S	S	*	*			trans	-155.2	-172.9	159.4	-131.1	-173.7	-170.8	-162.4	3.1	113.4
124	R	40.4	Very low	40.7	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	76%	0.757	S	S	*	*			trans	-139.8	102.8	-153.7	-177.3	-167.8	-156.4	163.3	5.8	111.1
125	N	44.7	Very low	39	Very low	151 Å²	151	132.9 Å²	132.9	81%	0.807	74%	0.739	S	S	*	*			trans	-171.7	159.5	151.7	-97.7	-8.1	0	0	0	106.5
126	V	41.6	Very low	36.8	Very low	130 Å²	130	131.5 Å²	131.5	79%	0.788	74%	0.741	S	S	*	*			trans	62.7	153	-179.9	-118.9	0	0	0	0	117.2	S128	V126-S128 WeakPolarHBondContact CB-OG 3.31Å; V126-S128 VanDerWaalsContact CG1-CB 3.47Å; V126-S128 VanDerWaalsContact CG1-OG 3.23Å; V126-S128 WeakPolarHBondContact CG1-OG 3.3Å
127	A	42.5	Very low	35.8	Very low	95 Å²	95	131 Å²	131	79%	0.785	74%	0.742	S	S	*	*			trans	160.6	76.3	172.3	0	0	0	0	0	103.6
128	S	27.6	Very low	35.4	Very low	57 Å²	57	131.9 Å²	131.9	40%	0.399	74%	0.744	S	S	.	*			cis	53	154.6	30.6	71.6	0	0	0	0	115.2	V126	V126-S128 WeakPolarHBondContact CB-OG 3.31Å; V126-S128 VanDerWaalsContact CG1-CB 3.47Å; V126-S128 VanDerWaalsContact CG1-OG 3.23Å; V126-S128 WeakPolarHBondContact CG1-OG 3.3Å
129	E	25	Very low	33.9	Very low	147 Å²	147	126.1 Å²	126.1	69%	0.687	73%	0.727	S	S	*	*			trans	60.1	121.9	-175.6	-64.3	72.5	-126.7	0	0	113.8
130	D	19	Very low	32.9	Very low	147 Å²	147	126.7 Å²	126.7	79%	0.786	73%	0.726	S	S	*	*				71.6	178.5	54.9	-61.3	-55.8	0	0	0	112.8
131	C	29.3	Very low	32.7	Very low	96 Å²	96	125.3 Å²	125.3	65%	0.649	71%	0.713	S	S	*	*			trans	19.2	143	150	-62.9	0	0	0	0	120.5
132	D	26.9	Very low	32.6	Very low	158 Å²	158	122.6 Å²	122.6	85%	0.845	69%	0.694	S	S	*	*			cis	-125.7	115.6	37.1	-70.9	-61	0	0	0	116.2
133	Q	24.3	Very low	31.7	Very low	169 Å²	169	120.1 Å²	120.1	79%	0.79	67%	0.671	S	S	*	*				-87.6	157	111.9	-88.4	-168.3	4.9	0	0	107.5
134	P	35	Very low	31.1	Very low	82 Å²	82	114 Å²	114	53%	0.532	65%	0.652	S	S	.	*			cis	-135.7	-153.3	32	41	-22.3	0	0	0	113.2
135	T	37.3	Very low	30.4	Very low	71 Å²	71	106.8 Å²	106.8	44%	0.436	63%	0.632	S	S	.	*				-169.5	76.3	122.4	40.9	0	0	0	0	112	S137 S138 S139	T135-S137 WeakPolarHBondContact CB-O 3.43Å; T135-S137 WeakPolarHBondContact CG2-O 3.4Å; T135-S138 WeakPolarHBondContact CG2-O 3.49Å; T135-S139 VanDerWaalsContact CB-N 3.35Å; T135-S139 PolarHBondContact OG1-N 3.33Å
136	T	26.2	Very low	29.4	Very low	127 Å²	127	104.3 Å²	104.3	78%	0.779	62%	0.619	S	S	*	*	S	Bend		-68.6	130.7	128.9	43.8	0	0	0	0	106.2
137	S	28	Very low	28.8	Very low	107 Å²	107	101.6 Å²	101.6	75%	0.748	62%	0.618	S	S	*	*	S	Bend	trans	56.2	111.1	-154	46.3	0	0	0	0	114.5	T135	T135-S137 WeakPolarHBondContact CB-O 3.43Å; T135-S137 WeakPolarHBondContact CG2-O 3.4Å
138	S	35	Very low	27.9	Very low	100 Å²	100	104.6 Å²	104.6	70%	0.699	62%	0.62	S	S	*	*	S	Bend	trans	69.3	60.5	153.2	66.4	0	0	0	0	123.7	T135	T135-S138 WeakPolarHBondContact CG2-O 3.49Å
139	S	32.2	Very low	27.7	Very low	89 Å²	89	108 Å²	108	62%	0.622	64%	0.639	S	S	*	*			trans	61.8	148.1	137.6	64.4	0	0	0	0	123.3	T135	T135-S139 VanDerWaalsContact CB-N 3.35Å; T135-S139 PolarHBondContact OG1-N 3.33Å
140	S	29.6	Very low	28.1	Very low	89 Å²	89	105.4 Å²	105.4	62%	0.622	64%	0.637	S	S	*	*			trans	68	164.2	172.1	79.4	0	0	0	0	114.5
141	L	25.7	Very low	28.5	Very low	112 Å²	112	103.4 Å²	103.4	59%	0.586	63%	0.63	S	S	*	*			cis	-119.5	155.5	11.5	-84.2	101.7	0	0	0	110.4	N155	L141-N155 PolarHBondContact O-ND2 3.4Å; L141-N155 PolarHBondContact O-OD1 2.84Å
142	V	33.8	Very low	28.5	Very low	64 Å²	64	101.4 Å²	101.4	39%	0.388	61%	0.611	S	S	.	*				63	132.8	64.1	171.7	0	0	0	0	113	K154 N155	V142-K154 CarbonylContact C-O 3.46Å; V142-K154 PolarHBondContact O-N 2.75Å; V142-N155 PolarHBondContact N-ND2 2.69Å
143	S	23.2	Very low	28.3	Very low	41 Å²	41	98 Å²	98	29%	0.287	60%	0.596	S	S	.	*			cis	161.6	132.5	-34.1	53.9	0	0	0	0	108.2	E152 V153 K154	S143-E152 WeakPolarHBondContact O-CB 3.41Å; S143-E152 PolarHBondContact OG-OE1 3.42Å; S143-V153 CarbonylContact C-O 3.55Å; S143-V153 VanDerWaalsContact N-C 3.34Å; S143-K154 VanDerWaalsContact CA-C 3.47Å; S143-K154 VanDerWaalsContact N-N 3.17Å; S143-K154 PolarHBondContact N-O 3.43Å; S143-K154 VanDerWaalsContact N-O 3.14Å
144	K	25.9	Very low	28.3	Very low	137 Å²	137	96.9 Å²	96.9	60%	0.596	59%	0.589	S	S	*	*	B	Isolated β-bridge	trans	97.5	-162.1	-166.5	-73.7	105.2	71.9	179.4	0	116.4	E152 V153 K154	K144-E152 HydrophobicContact CB-CB 4.17Å; K144-E152 VanDerWaalsContact CE-OE1 3.29Å; K144-E152 WeakPolarHBondContact CE-OE1 3.33Å; K144-E152 IonicContact NZ-OE1 3.21Å; K144-E152 PolarHBondContact NZ-OE1 3.12Å; K144-E152 IonicContact NZ-OE2 3.56Å; K144-E152 PolarHBondContact NZ-OE2 3.26Å; K144-V153 CarbonylContact C-O 3.52Å; K144-V153 WeakPolarHBondContact CA-O 3.36Å; K144-V153 PolarHBondContact N-O 3.4Å; K144-V153 VanDerWaalsContact N-O 3.08Å; K144-K154 WeakPolarHBondContact O-CA 3.21Å
145	T	24.7	Very low	28.1	Very low	73 Å²	73	97.6 Å²	97.6	45%	0.448	59%	0.588	S	S	.	*				-173.3	-173.9	100.7	-168.9	0	0	0	0	113	E152 V153 K154	T145-E152 WeakPolarHBondContact CA-O 3.33Å; T145-E152 VanDerWaalsContact CB-O 3.31Å; T145-E152 WeakPolarHBondContact CB-O 3.4Å; T145-E152 PolarHBondContact OG1-O 3.23Å; T145-V153 VanDerWaalsContact CB-O 3.28Å; T145-V153 WeakPolarHBondContact CB-O 3.38Å; T145-K154 HydrophobicContact CG2-CG 3.95Å
146	N	25.5	Very low	27.5	Very low	100 Å²	100	101.9 Å²	101.9	54%	0.535	60%	0.601	S	S	.	*			trans	-40.4	135.7	175.9	-81.7	-32.9	0	0	0	116.7	T151	N146-T151 VanDerWaalsContact OD1-CG2 3.25Å; N146-T151 WeakPolarHBondContact OD1-CG2 3.16Å; N146-T151 PolarHBondContact OD1-N 3.21Å
147	G	28.8	Very low	27.6	Very low	73 Å²	73	105 Å²	105	75%	0.753	60%	0.599	S	S	*	*	S	Bend	trans	-173.2	-32.1	168.3	0	0	0	0	0	117.6
148	N	22.9	Very low	27.7	Very low	157 Å²	157	104 Å²	104	84%	0.84	59%	0.588	S	S	*	*	S	Bend	trans	-149.2	96.8	164.2	-125.9	-1.9	0	0	0	107.2
149	T	23.4	Very low	27.3	Very low	128 Å²	128	105.1 Å²	105.1	79%	0.785	59%	0.593	S	S	*	*	S	Bend	trans	63.2	136.9	-161.3	62	0	0	0	0	115.3
150	S	33.7	Very low	27.6	Very low	93 Å²	93	104.5 Å²	104.5	65%	0.65	59%	0.588	S	S	*	*			trans	33	125.5	161	56.8	0	0	0	0	122.5
151	T	26.9	Very low	28.1	Very low	105 Å²	105	108.3 Å²	108.3	64%	0.644	60%	0.601	S	S	*	*				109.5	42	89.8	81.1	0	0	0	0	121.5	N146	N146-T151 VanDerWaalsContact OD1-CG2 3.25Å; N146-T151 WeakPolarHBondContact OD1-CG2 3.16Å; N146-T151 PolarHBondContact OD1-N 3.21Å
152	E	28.8	Very low	28.5	Very low	54 Å²	54	107.4 Å²	107.4	25%	0.252	60%	0.604	S	S	.	*			trans	-165.5	-175	151.5	-122.3	177.7	63	0	0	110.3	S143 K144 T145	S143-E152 WeakPolarHBondContact O-CB 3.41Å; S143-E152 PolarHBondContact OG-OE1 3.42Å; K144-E152 HydrophobicContact CB-CB 4.17Å; K144-E152 VanDerWaalsContact CE-OE1 3.29Å; K144-E152 WeakPolarHBondContact CE-OE1 3.33Å; K144-E152 IonicContact NZ-OE1 3.21Å; K144-E152 PolarHBondContact NZ-OE1 3.12Å; K144-E152 IonicContact NZ-OE2 3.56Å; K144-E152 PolarHBondContact NZ-OE2 3.26Å; T145-E152 WeakPolarHBondContact CA-O 3.33Å; T145-E152 VanDerWaalsContact CB-O 3.31Å; T145-E152 WeakPolarHBondContact CB-O 3.4Å; T145-E152 PolarHBondContact OG1-O 3.23Å
153	V	22.6	Very low	28.5	Very low	87 Å²	87	107.8 Å²	107.8	53%	0.527	62%	0.62	S	S	.	*			trans	-98	-149.1	-173.6	-172.6	0	0	0	0	111.2	S143 K144 T145	S143-V153 CarbonylContact C-O 3.55Å; S143-V153 VanDerWaalsContact N-C 3.34Å; K144-V153 CarbonylContact C-O 3.52Å; K144-V153 WeakPolarHBondContact CA-O 3.36Å; K144-V153 PolarHBondContact N-O 3.4Å; K144-V153 VanDerWaalsContact N-O 3.08Å; T145-V153 VanDerWaalsContact CB-O 3.28Å; T145-V153 WeakPolarHBondContact CB-O 3.38Å
154	K	26.1	Very low	29.1	Very low	145 Å²	145	111.2 Å²	111.2	63%	0.63	65%	0.645	S	S	*	*			trans	-124	144.1	-165.6	-75.3	178.3	176.2	172.8	0	114	V142 S143 K144 T145	V142-K154 CarbonylContact C-O 3.46Å; V142-K154 PolarHBondContact O-N 2.75Å; S143-K154 VanDerWaalsContact CA-C 3.47Å; S143-K154 VanDerWaalsContact N-N 3.17Å; S143-K154 PolarHBondContact N-O 3.43Å; S143-K154 VanDerWaalsContact N-O 3.14Å; K144-K154 WeakPolarHBondContact O-CA 3.21Å; T145-K154 HydrophobicContact CG2-CG 3.95Å
155	N	29	Very low	29.7	Very low	98 Å²	98	111.6 Å²	111.6	52%	0.524	66%	0.658	S	S	.	*	B	Isolated β-bridge	trans	-173	140.9	159.7	-96.8	-5.5	0	0	0	110.5	L141 V142	L141-N155 PolarHBondContact O-ND2 3.4Å; L141-N155 PolarHBondContact O-OD1 2.84Å; V142-N155 PolarHBondContact N-ND2 2.69Å
156	F	25.2	Very low	30.3	Very low	161 Å²	161	113.8 Å²	113.8	71%	0.706	67%	0.671	S	S	*	*			cis	95	62.4	11	-157.4	-117	0	0	0	118
157	W	28.5	Very low	30.8	Very low	193 Å²	193	115.8 Å²	115.8	73%	0.731	68%	0.682	S	S	*	*				-173.6	113.5	111.6	-111.7	75	0	0	0	113.8
158	V	30.2	Very low	31.3	Very low	86 Å²	86	122 Å²	122	52%	0.521	69%	0.688	S	S	.	*			trans	14.8	117	131.3	-171.5	0	0	0	0	116.8	S160	V158-S160 VanDerWaalsContact CG1-OG 3.28Å; V158-S160 WeakPolarHBondContact CG1-OG 3.43Å
159	P	26.9	Very low	32.4	Very low	123 Å²	123	120.3 Å²	120.3	80%	0.799	68%	0.684	S	S	*	*				-114.3	88	105.6	-11.7	30.3	0	0	0	115.4
160	S	37.5	Very low	34	Very low	76 Å²	76	118.5 Å²	118.5	53%	0.531	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.3	145.2	132.9	50.5	0	0	0	0	106.8	V158	V158-S160 VanDerWaalsContact CG1-OG 3.28Å; V158-S160 WeakPolarHBondContact CG1-OG 3.43Å
161	L	40.4	Very low	35.1	Very low	168 Å²	168	116.6 Å²	116.6	88%	0.88	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	cis	-99.2	57.2	23.7	-74	67.4	0	0	0	115	G163	L161-G163 PolarHBondContact O-N 3.36Å
162	S	35.5	Very low	36.9	Very low	94 Å²	94	120.2 Å²	120.2	66%	0.657	66%	0.664	S	S	*	*				45	74.8	124.8	62.5	0	0	0	0	117.3
163	G	33.4	Very low	38.9	Very low	71 Å²	71	121.6 Å²	121.6	73%	0.732	68%	0.678	S	S	*	*			trans	-75	139.4	151.4	0	0	0	0	0	110.5	L161 V165	L161-G163 PolarHBondContact O-N 3.36Å; G163-V165 PolarHBondContact O-N 2.83Å
164	S	34.8	Very low	41.2	Very low	114 Å²	114	119.2 Å²	119.2	80%	0.797	66%	0.664	S	S	*	*			trans	-75.8	103.8	-179.7	57.6	0	0	0	0	111.9
165	V	38.1	Very low	43.3	Very low	144 Å²	144	114.9 Å²	114.9	87%	0.873	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-82.5	119.1	167.1	-178.8	0	0	0	0	108.6	G163	G163-V165 PolarHBondContact O-N 2.83Å
166	V	38.9	Very low	45.2	Very low	119 Å²	119	116.7 Å²	116.7	72%	0.721	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-89.1	135.8	179.9	176.9	0	0	0	0	109.4	K168	V166-K168 PolarHBondContact O-N 2.8Å
167	D	34.9	Very low	47.8	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52	124.8	171.8	-64.8	-53.8	0	0	0	110.8	T169	D167-T169 PolarHBondContact O-N 2.86Å
168	K	39	Very low	50.3	Low	205 Å²	205	107.1 Å²	107.1	89%	0.891	63%	0.629	S	S	*	*			trans	-69.6	80.2	174.4	-71.1	-177.9	180	176	0	110	V166 V170	V166-K168 PolarHBondContact O-N 2.8Å; K168-V170 PolarHBondContact O-N 2.99Å
169	T	46.8	Very low	52.7	Low	121 Å²	121	106.6 Å²	106.6	74%	0.742	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56.5	121.4	-179.1	58.1	0	0	0	0	111.2	D167	D167-T169 PolarHBondContact O-N 2.86Å
170	V	57	Low	54.9	Low	89 Å²	89	101 Å²	101	54%	0.539	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-54.3	124.6	176.8	-177.7	0	0	0	0	109.7	Y91 K168	Y91-V170 HydrophobicContact CE1-CG1 3.93Å; K168-V170 PolarHBondContact O-N 2.99Å
171	P	56.3	Low	56.5	Low	54 Å²	54	98.6 Å²	98.6	35%	0.351	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-62.1	157	175.1	28.1	-34.8	0	0	0	110.4	Y88 Y91	Y88-P171 HydrophobicContact CD2-CB 4.33Å; Y88-P171 HydrophobicContact CD2-CG 4.31Å; Y88-P171 WeakPolarHBondContact CE2-O 3.24Å; Y91-P171 HydrophobicContact CD1-CG 3.48Å; Y91-P171 VanDerWaalsContact CD1-CG 3.48Å; Y91-P171 HydrophobicContact CD2-CG 3.85Å; Y91-P171 HydrophobicContact CE1-CG 3.69Å; Y91-P171 HydrophobicContact CE2-CG 4.02Å; Y91-P171 HydrophobicContact CG-CG 3.56Å; Y91-P171 VanDerWaalsContact CZ-CD 3.4Å
172	K	65.4	Low	57.7	Low	181 Å²	181	93.4 Å²	93.4	79%	0.787	54%	0.544	S	S	*	.			trans	-112.5	148.5	-178.7	-64.7	-172.7	179.1	-172.6	0	110.5
173	P	70.8	Confident	59.4	Low	82 Å²	82	90.8 Å²	90.8	53%	0.532	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.1	175.7	24.7	-33.2	0	0	0	110.7	Y88	Y88-P173 HydrophobicContact CD1-CB 4.02Å; Y88-P173 HydrophobicContact CE1-CB 3.73Å; Y88-P173 HydrophobicContact CE1-CG 4.38Å
174	P	71.7	Confident	61.2	Low	38 Å²	38	89.3 Å²	89.3	25%	0.247	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-74.5	160.6	177	32.7	-36.5	0	0	0	111.9	K84 R85	K84-P174 HydrophobicContact CB-CB 3.94Å; K84-P174 HydrophobicContact CB-CG 4.32Å; R85-P174 HydrophobicContact CB-CG 3.82Å; R85-P174 HydrophobicContact CG-CG 4.49Å
175	A	69.6	Low	63.2	Low	53 Å²	53	89.4 Å²	89.4	44%	0.438	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-93	129.7	177.2	0	0	0	0	0	111.8	N81 K177	N81-A175 PolarHBondContact ND2-O 2.62Å; A175-K177 PolarHBondContact O-N 3.28Å
176	D	68.6	Low	65.3	Low	136 Å²	136	86.5 Å²	86.5	73%	0.727	48%	0.48	S	S	*	.	S	Bend	trans	-66.5	-23.6	177.5	-62.2	-52.7	0	0	0	113.7	R85	R85-D176 IonicContact NH1-OD1 2.71Å
177	K	79.3	Confident	67.3	Low	142 Å²	142	81.7 Å²	81.7	62%	0.617	45%	0.45	S	S	*	.	S	Bend	trans	-94.8	125.9	-172.1	-61.1	174.2	-172.8	171.6	0	110.1	A175 L179 P186	A175-K177 PolarHBondContact O-N 3.28Å; K177-L179 HydrophobicContact CB-CD2 4.37Å; K177-L179 WeakPolarHBondContact O-CD2 3.47Å; K177-L179 PolarHBondContact O-N 2.92Å; K177-P186 HydrophobicContact CB-CB 4.01Å; K177-P186 HydrophobicContact CD-CB 4.02Å; K177-P186 HydrophobicContact CG-CB 4.42Å
178	V	82.1	Confident	69.4	Low	12 Å²	12	81.6 Å²	81.6	7%	0.073	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-63.7	124.2	166.4	178.1	0	0	0	0	108.1	Y73 I74 H77 K78 P186 L187	Y73-V178 HydrophobicContact CE1-CG1 4.26Å; I74-V178 HydrophobicContact CG1-CG1 4.2Å; H77-V178 HydrophobicContact CB-CG1 4.27Å; H77-V178 HydrophobicContact CB-CG2 4.26Å; K78-V178 HydrophobicContact CG-CG2 3.65Å; V178-P186 WeakPolarHBondContact O-CA 3.41Å; V178-L187 PolarHBondContact O-N 2.91Å
179	L	80.2	Confident	71.3	Confident	75 Å²	75	75.8 Å²	75.8	39%	0.393	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-92.9	142.1	-179.7	-49.2	-174.9	0	0	0	109.6	Y73 K177 G184 K185	Y73-L179 WeakPolarHBondContact CE1-O 3.41Å; Y73-L179 PolarHBondContact OH-O 3.23Å; K177-L179 HydrophobicContact CB-CD2 4.37Å; K177-L179 WeakPolarHBondContact O-CD2 3.47Å; K177-L179 PolarHBondContact O-N 2.92Å; L179-G184 WeakPolarHBondContact CD2-O 3.45Å; L179-K185 CarbonylContact C-O 3.58Å; L179-K185 WeakPolarHBondContact CA-O 3.19Å
180	C	73.2	Confident	72.9	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.034	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-56.7	129.8	167.2	173.6	0	0	0	0	109	V182 T183 G184 K185 L187	C180-V182 PolarHBondContact O-N 3.26Å; C180-V182 VanDerWaalsContact O-N 3.08Å; C180-T183 VanDerWaalsContact CB-OG1 3.31Å; C180-T183 WeakPolarHBondContact CB-OG1 3.35Å; C180-T183 PolarHBondContact O-N 2.89Å; C180-T183 PolarHBondContact SG-OG1 3.43Å; C180-T183 VanDerWaalsContact SG-OG1 3.33Å; C180-G184 WeakPolarHBondContact O-CA 3.41Å; C180-G184 PolarHBondContact O-N 3.07Å; C180-K185 WeakPolarHBondContact CB-O 3.34Å; C180-K185 PolarHBondContact N-O 3.46Å; C180-L187 HydrophobicContact CB-CB 4.5Å
181	P	70	Confident	74.2	Confident	25 Å²	25	78.3 Å²	78.3	16%	0.162	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	-171.5	25.6	-35	0	0	0	113.4	F65 Y73 A279 T280	F65-P181 HydrophobicContact CE1-CG 3.62Å; F65-P181 HydrophobicContact CZ-CG 3.85Å; Y73-P181 HydrophobicContact CE1-CB 4.1Å; Y73-P181 HydrophobicContact CE1-CG 4.1Å; Y73-P181 HydrophobicContact CE2-CB 4.05Å; P181-A279 HydrophobicContact CB-CB 3.85Å; P181-A279 WeakPolarHBondContact O-CB 3.29Å; P181-T280 HydrophobicContact CB-CG2 4.36Å; P181-T280 HydrophobicContact CG-CG2 3.87Å
182	V	66.2	Low	75.5	Confident	59 Å²	59	76.5 Å²	76.5	36%	0.358	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-48.2	178.6	-173.6	0	0	0	0	112.3	Y63 C180 A279	Y63-V182 HydrophobicContact CD1-CB 4.34Å; Y63-V182 HydrophobicContact CD1-CG1 3.99Å; Y63-V182 HydrophobicContact CE1-CB 4.32Å; Y63-V182 HydrophobicContact CE1-CG1 3.54Å; C180-V182 PolarHBondContact O-N 3.26Å; C180-V182 VanDerWaalsContact O-N 3.08Å; V182-A279 HydrophobicContact CG2-CB 4.47Å
183	T	70.4	Confident	76.4	Confident	39 Å²	39	70.6 Å²	70.6	24%	0.239	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.8	-170.4	61.4	0	0	0	0	114.5	E61 Y63 C180 K185	E61-T183 WeakPolarHBondContact OE2-CB 3.32Å; E61-T183 VanDerWaalsContact OE2-CG2 3.31Å; E61-T183 WeakPolarHBondContact OE2-CG2 3.46Å; E61-T183 PolarHBondContact OE2-OG1 3.28Å; Y63-T183 HydrophobicContact CD2-CG2 3.81Å; Y63-T183 HydrophobicContact CE2-CG2 3.2Å; C180-T183 VanDerWaalsContact CB-OG1 3.31Å; C180-T183 WeakPolarHBondContact CB-OG1 3.35Å; C180-T183 PolarHBondContact O-N 2.89Å; C180-T183 PolarHBondContact SG-OG1 3.43Å; C180-T183 VanDerWaalsContact SG-OG1 3.33Å; T183-K185 PolarHBondContact O-N 3.19Å; T183-K185 VanDerWaalsContact O-N 3.16Å
184	G	71.5	Confident	77	Confident	41 Å²	41	71.4 Å²	71.4	42%	0.423	38%	0.378	S	S	.	.			trans	68.8	3.5	-176.5	0	0	0	0	0	114.8	L179 C180	L179-G184 WeakPolarHBondContact CD2-O 3.45Å; C180-G184 WeakPolarHBondContact O-CA 3.41Å; C180-G184 PolarHBondContact O-N 3.07Å
185	K	78.4	Confident	77.4	Confident	116 Å²	116	70.1 Å²	70.1	50%	0.504	37%	0.369	S	S	.	.	S	Bend	trans	-83.5	152.2	176.9	-69	-164.7	-168.2	162.6	0	111.9	E61 L179 C180 T183 L187	E61-K185 VanDerWaalsContact OE1-CD 3.3Å; E61-K185 WeakPolarHBondContact OE1-CD 3.27Å; E61-K185 WeakPolarHBondContact OE1-CE 3.35Å; E61-K185 IonicContact OE1-NZ 3.33Å; E61-K185 PolarHBondContact OE1-NZ 3.21Å; L179-K185 CarbonylContact C-O 3.58Å; L179-K185 WeakPolarHBondContact CA-O 3.19Å; C180-K185 WeakPolarHBondContact CB-O 3.34Å; C180-K185 PolarHBondContact N-O 3.46Å; T183-K185 PolarHBondContact O-N 3.19Å; T183-K185 VanDerWaalsContact O-N 3.16Å; K185-L187 PolarHBondContact O-N 3.44Å
186	P	80.8	Confident	77.9	Confident	82 Å²	82	73.3 Å²	73.3	53%	0.532	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-63.6	133.5	-179.7	27.6	-36.5	0	0	0	112.1	K177 V178	K177-P186 HydrophobicContact CB-CB 4.01Å; K177-P186 HydrophobicContact CD-CB 4.02Å; K177-P186 HydrophobicContact CG-CB 4.42Å; V178-P186 WeakPolarHBondContact O-CA 3.41Å
187	L	80.3	Confident	78.4	Confident	18 Å²	18	68.1 Å²	68.1	9%	0.094	34%	0.344	C	S	.	.			trans	-116.7	130.9	-176.7	-174.7	65.2	0	0	0	111.7	T59 I70 I74 V178 C180 K185 L192	T59-L187 HydrophobicContact CG2-CD1 4.03Å; I70-L187 HydrophobicContact CD1-CD2 3.78Å; I70-L187 HydrophobicContact CG1-CD2 4.19Å; I74-L187 HydrophobicContact CD1-CD2 3.98Å; I74-L187 HydrophobicContact CD1-CG 4.37Å; I74-L187 HydrophobicContact CG1-CD2 4.35Å; V178-L187 PolarHBondContact O-N 2.91Å; C180-L187 HydrophobicContact CB-CB 4.5Å; K185-L187 PolarHBondContact O-N 3.44Å; L187-L192 HydrophobicContact CD1-CD2 4.09Å
188	K	79.9	Confident	78.2	Confident	141 Å²	141	66.1 Å²	66.1	61%	0.613	34%	0.335	S	S	*	.			trans	-116.6	151	170.5	-48.2	169.9	-174.7	164.3	0	110.7	K190 D191	K188-K190 PolarHBondContact O-N 2.8Å; K188-D191 VanDerWaalsContact CB-OD2 3.31Å; K188-D191 WeakPolarHBondContact CB-OD2 3.17Å; K188-D191 WeakPolarHBondContact CG-OD2 3.18Å; K188-D191 PolarHBondContact O-N 3.48Å
189	L	78.6	Confident	77.9	Confident	82 Å²	82	69 Å²	69	43%	0.429	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.1	179.5	-155.6	84.2	0	0	0	113.5	L71 I74 D191 L192	L71-L189 HydrophobicContact CD1-CD1 4.39Å; L71-L189 HydrophobicContact CG-CD1 4.46Å; I74-L189 HydrophobicContact CD1-CD1 4.21Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-L192 HydrophobicContact CD1-CD1 4.04Å; L189-L192 HydrophobicContact CG-CD1 4.41Å
190	K	81.7	Confident	77.2	Confident	203 Å²	203	66.6 Å²	66.6	88%	0.883	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-75.9	-16.5	178.6	-67.1	-167.9	175.6	-170.9	0	113.8	K188 L192	K188-K190 PolarHBondContact O-N 2.8Å; K190-L192 VanDerWaalsContact C-N 3.25Å
191	D	82.9	Confident	76.6	Confident	60 Å²	60	72.3 Å²	72.3	32%	0.321	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-90.6	2.9	-174.9	-44.9	-17.4	0	0	0	110.8	P60 K188 L189	P60-D191 WeakPolarHBondContact CD-O 3.47Å; K188-D191 VanDerWaalsContact CB-OD2 3.31Å; K188-D191 WeakPolarHBondContact CB-OD2 3.17Å; K188-D191 WeakPolarHBondContact CG-OD2 3.18Å; K188-D191 PolarHBondContact O-N 3.48Å; L189-D191 VanDerWaalsContact C-N 3.3Å
192	L	84	Confident	75.7	Confident	17 Å²	17	76.4 Å²	76.4	9%	0.089	41%	0.413	C	S	.	.			trans	-95.5	132.1	-175.2	-66.2	177.9	0	0	0	111.2	V57 T59 I70 L187 L189 K190	V57-L192 HydrophobicContact CG1-CB 3.65Å; V57-L192 HydrophobicContact CG1-CD1 4.34Å; V57-L192 HydrophobicContact CG1-CD2 4.01Å; V57-L192 HydrophobicContact CG1-CG 4.21Å; T59-L192 HydrophobicContact CG2-CD2 4.02Å; I70-L192 HydrophobicContact CD1-CD2 4.01Å; I70-L192 HydrophobicContact CG2-CD1 3.72Å; L187-L192 HydrophobicContact CD1-CD2 4.09Å; L189-L192 HydrophobicContact CD1-CD1 4.04Å; L189-L192 HydrophobicContact CG-CD1 4.41Å; K190-L192 VanDerWaalsContact C-N 3.25Å
193	L	83.7	Confident	75.1	Confident	57 Å²	57	75.4 Å²	75.4	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	-178.2	-69.5	161.7	0	0	0	111.3	V57 V58 K234 I268	V57-L193 CarbonylContact C-O 3.57Å; V57-L193 WeakPolarHBondContact CA-O 3.45Å; V58-L193 PolarHBondContact N-O 2.03Å; V58-L193 PolarHBondContact O-N 2.54Å; L193-K234 HydrophobicContact CD1-CB 4.32Å; L193-K234 HydrophobicContact CD1-CD 3.98Å; L193-K234 HydrophobicContact CD1-CG 3.85Å; L193-I268 HydrophobicContact CD1-CD1 3.37Å
194	H	83.1	Confident	74.1	Confident	99 Å²	99	75.1 Å²	75.1	46%	0.458	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.4	174.3	-70.1	-100.3	0	0	0	110.7
195	V	81	Confident	73	Confident	11 Å²	11	74.7 Å²	74.7	7%	0.067	39%	0.393	C	S	.	.			trans	-104.5	124.5	-174.4	-173.1	0	0	0	0	111.4	P56 V58 F197 V232 V239	P56-V195 PolarHBondContact O-N 3.04Å; V58-V195 HydrophobicContact CB-CG2 3.86Å; V58-V195 HydrophobicContact CG2-CG2 3.43Å; V58-V195 VanDerWaalsContact CG2-CG2 3.43Å; V195-F197 HydrophobicContact CB-CD2 4.21Å; V195-F197 HydrophobicContact CB-CE2 3.77Å; V195-F197 HydrophobicContact CB-CZ 4.44Å; V195-F197 HydrophobicContact CG1-CD2 3.72Å; V195-F197 HydrophobicContact CG1-CE1 4.3Å; V195-F197 HydrophobicContact CG1-CE2 3.36Å; V195-F197 HydrophobicContact CG1-CG 4.32Å; V195-F197 HydrophobicContact CG1-CZ 3.69Å; V195-F197 PolarHBondContact O-N 2.82Å; V195-V232 HydrophobicContact CG1-CG1 4.33Å; V195-V232 HydrophobicContact CG1-CG2 4.34Å; V195-V232 HydrophobicContact CG2-CG1 4.47Å; V195-V232 HydrophobicContact CG2-CG2 4.44Å; V195-V239 HydrophobicContact CG1-CG2 3.2Å
196	K	79.6	Confident	71.6	Confident	120 Å²	120	70.2 Å²	70.2	52%	0.522	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-92.6	95	173.6	-65.7	179.6	-178.6	174.4	0	109.6	G237 Y238	K196-G237 PolarHBondContact N-O 3.43Å; K196-Y238 HydrophobicContact CB-CD1 3.73Å; K196-Y238 HydrophobicContact CB-CE1 3.79Å; K196-Y238 HydrophobicContact CD-CE1 4.15Å; K196-Y238 WeakPolarHBondContact O-CD1 3.31Å
197	F	79	Confident	70	Confident	26 Å²	26	69.1 Å²	69.1	11%	0.114	37%	0.365	C	S	.	.			trans	-80.6	128.3	167.9	-65.7	-88.7	0	0	0	110.1	C46 P56 V195 V199 Y215 L224 V239	C46-F197 HydrophobicContact CB-CE2 4.43Å; C46-F197 WeakPolarHBondContact SG-CD1 3.33Å; C46-F197 WeakPolarHBondContact SG-CE1 3.35Å; C46-F197 VanDerWaalsContact SG-CG 3.5Å; C46-F197 WeakPolarHBondContact SG-CZ 3.4Å; P56-F197 HydrophobicContact CB-CD2 4.46Å; P56-F197 HydrophobicContact CB-CE2 3.98Å; P56-F197 HydrophobicContact CG-CD2 3.99Å; P56-F197 HydrophobicContact CG-CE2 4.01Å; V195-F197 HydrophobicContact CB-CD2 4.21Å; V195-F197 HydrophobicContact CB-CE2 3.77Å; V195-F197 HydrophobicContact CB-CZ 4.44Å; V195-F197 HydrophobicContact CG1-CD2 3.72Å; V195-F197 HydrophobicContact CG1-CE1 4.3Å; V195-F197 HydrophobicContact CG1-CE2 3.36Å; V195-F197 HydrophobicContact CG1-CG 4.32Å; V195-F197 HydrophobicContact CG1-CZ 3.69Å; V195-F197 PolarHBondContact O-N 2.82Å; F197-V199 PolarHBondContact O-N 2.84Å; F197-Y215 HydrophobicContact CB-CD1 3.31Å; F197-Y215 HydrophobicContact CB-CE1 3.74Å; F197-Y215 HydrophobicContact CB-CG 3.99Å; F197-Y215 HydrophobicContact CG-CD1 4.17Å; F197-Y215 HydrophobicContact CG-CG 4.46Å; F197-L224 HydrophobicContact CD1-CD1 3.98Å; F197-L224 HydrophobicContact CE1-CD1 4.39Å; F197-V239 HydrophobicContact CD1-CB 4.12Å; F197-V239 HydrophobicContact CD1-CG2 3.65Å; F197-V239 HydrophobicContact CE1-CB 4.14Å; F197-V239 HydrophobicContact CE1-CG1 4.19Å; F197-V239 HydrophobicContact CE1-CG2 3.54Å; F197-V239 HydrophobicContact CG-CG2 4.24Å; F197-V239 HydrophobicContact CZ-CG2 4.02Å
198	K	76.3	Confident	68.2	Low	101 Å²	101	73 Å²	73	44%	0.439	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	111	172.2	-168.9	177	-175.6	-177.4	0	107.8	V216 A218	K198-V216 PolarHBondContact O-N 3.12Å; K198-A218 HydrophobicContact CB-CB 4.36Å; K198-A218 HydrophobicContact CD-CB 4.34Å; K198-A218 PolarHBondContact NZ-O 2.56Å
199	V	74.9	Confident	66.5	Low	72 Å²	72	69.4 Å²	69.4	44%	0.436	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.1	167.7	-177.4	0	0	0	0	107.5	F197 S201 Y215	F197-V199 PolarHBondContact O-N 2.84Å; V199-S201 PolarHBondContact O-N 2.68Å; V199-Y215 HydrophobicContact CG2-CD1 4.02Å; V199-Y215 HydrophobicContact CG2-CE1 3.68Å
200	A	66	Low	65.1	Low	25 Å²	25	67.9 Å²	67.9	21%	0.207	38%	0.378	C	S	.	.			trans	-63	126	173.3	0	0	0	0	0	110.5	V203 V214 V216	A200-V203 HydrophobicContact CB-CG2 3.3Å; A200-V214 PolarHBondContact N-O 2.94Å; A200-V216 HydrophobicContact CB-CG2 3.6Å
201	S	61.4	Low	63.5	Low	125 Å²	125	59.8 Å²	59.8	87%	0.874	35%	0.352	S	S	*	.	S	Bend	trans	-74.1	-26.8	176.4	47.2	0	0	0	0	113	V199	V199-S201 PolarHBondContact O-N 2.68Å
202	S	49.7	Very low	62.1	Low	110 Å²	110	61.3 Å²	61.3	77%	0.769	36%	0.355	S	S	*	.	S	Bend	trans	-121.6	61.2	-176.9	44.1	0	0	0	0	111.1
203	V	53	Low	61	Low	38 Å²	38	64.1 Å²	64.1	23%	0.23	37%	0.371	C	S	.	.			trans	-83.1	126.8	169	-175.5	0	0	0	0	109.2	A200 E207 V214	A200-V203 HydrophobicContact CB-CG2 3.3Å; V203-E207 HydrophobicContact CG1-CB 3.7Å; V203-V214 HydrophobicContact CG1-CG2 4.42Å; V203-V214 HydrophobicContact CG2-CB 4.27Å
204	S	50.2	Low	60.1	Low	34 Å²	34	62.3 Å²	62.3	24%	0.238	36%	0.362	C	S	.	.			trans	-57.9	139.9	172.6	58.1	0	0	0	0	111.3	S206 E207	S204-S206 PolarHBondContact O-N 2.93Å; S204-E207 PolarHBondContact O-N 2.91Å
205	E	48.2	Very low	59.7	Low	31 Å²	31	59.3 Å²	59.3	15%	0.145	35%	0.347	C	S	.	.	H	α-helix	trans	-60.9	-21.1	-160.9	-61.4	156.4	168.7	0	0	113.9	E207 L208 A209 R938 V940	E205-E207 PolarHBondContact O-N 2.78Å; E205-L208 PolarHBondContact O-N 2.8Å; E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 2.92Å; E205-R938 HydrophobicContact CB-CB 4.46Å; E205-R938 HydrophobicContact CG-CB 4.41Å; E205-R938 VanDerWaalsContact CG-NE 3.33Å; E205-R938 IonicContact OE1-CZ 3.97Å; E205-R938 IonicContact OE1-NE 2.7Å; E205-R938 PolarHBondContact OE1-NE 2.74Å; E205-R938 IonicContact OE1-NH2 3.67Å; E205-R938 PolarHBondContact OE1-NH2 2.82Å; E205-R938 WeakPolarHBondContact OE2-CA 3.44Å; E205-R938 WeakPolarHBondContact OE2-CB 3.35Å; E205-R938 IonicContact OE2-NE 2.71Å; E205-V940 HydrophobicContact CB-CG2 3.78Å; E205-V940 HydrophobicContact CG-CG2 3.6Å; E205-V940 WeakPolarHBondContact OE2-CG2 3.22Å
206	S	48.9	Very low	59.5	Low	22 Å²	22	59.4 Å²	59.4	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-26.2	175.1	51.5	0	0	0	0	115.9	S204 S930 Y932	S204-S206 PolarHBondContact O-N 2.93Å; S206-S930 WeakPolarHBondContact CB-OG 3.13Å; S206-Y932 WeakPolarHBondContact CA-OH 3.34Å; S206-Y932 PolarHBondContact O-OH 2.98Å
207	E	46.9	Very low	59.6	Low	59 Å²	59	53.7 Å²	53.7	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-89.8	-33.4	174	-69.8	178.9	-177.8	0	0	110.5	V203 S204 E205 A209 S210 R928	V203-E207 HydrophobicContact CG1-CB 3.7Å; S204-E207 PolarHBondContact O-N 2.91Å; E205-E207 PolarHBondContact O-N 2.78Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 2.89Å; E207-S210 WeakPolarHBondContact O-CB 3.34Å; E207-S210 PolarHBondContact O-N 3.09Å; E207-S210 PolarHBondContact O-OG 3.39Å; E207-R928 IonicContact OE1-CZ 3.31Å; E207-R928 IonicContact OE1-NH1 2.68Å; E207-R928 PolarHBondContact OE1-NH1 2.82Å; E207-R928 IonicContact OE1-NH2 3.39Å
208	L	43.6	Very low	59.6	Low	101 Å²	101	52.6 Å²	52.6	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-41	169.9	-167.5	71.8	0	0	0	112.1	E205 S210 G211	E205-L208 PolarHBondContact O-N 2.8Å; L208-S210 PolarHBondContact O-N 2.93Å; L208-G211 PolarHBondContact O-N 2.81Å
209	A	43.5	Very low	59.7	Low	65 Å²	65	50.2 Å²	50.2	54%	0.537	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-15	174.5	0	0	0	0	0	114.2	E205 E207 Y932	E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 2.92Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 2.89Å; A209-Y932 HydrophobicContact CB-CD1 4.49Å; A209-Y932 HydrophobicContact CB-CE1 3.69Å; A209-Y932 HydrophobicContact CB-CE2 4.47Å
210	S	50.1	Low	59.8	Low	49 Å²	49	50 Å²	50	34%	0.343	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.3	172.5	76.8	0	0	0	0	114.1	E207 L208 K212	E207-S210 WeakPolarHBondContact O-CB 3.34Å; E207-S210 PolarHBondContact O-N 3.09Å; E207-S210 PolarHBondContact O-OG 3.39Å; L208-S210 PolarHBondContact O-N 2.93Å; S210-K212 PolarHBondContact O-N 3.26Å
211	G	48.1	Very low	60.3	Low	33 Å²	33	51 Å²	51	34%	0.34	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	20.6	-178.7	0	0	0	0	0	114	R52 L208	R52-G211 PolarHBondContact NH2-O 2.97Å; L208-G211 PolarHBondContact O-N 2.81Å
212	K	51.8	Low	60.9	Low	92 Å²	92	48.6 Å²	48.6	40%	0.4	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-100.2	137.6	178.5	-67.8	-170.7	171.1	-155.6	0	110.8	S210	S210-K212 PolarHBondContact O-N 3.26Å
213	N	61.2	Low	62	Low	77 Å²	77	48 Å²	48	41%	0.412	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-89	117	171.1	-62.7	7.3	0	0	0	108.1	Y215	N213-Y215 HydrophobicContact CB-CE1 4.2Å; N213-Y215 HydrophobicContact CB-CE2 3.96Å; N213-Y215 VanDerWaalsContact O-CD2 3.23Å; N213-Y215 WeakPolarHBondContact O-CD2 3.43Å; N213-Y215 WeakPolarHBondContact O-CE2 3.5Å
214	V	66.3	Low	62.8	Low	19 Å²	19	46.4 Å²	46.4	12%	0.115	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-86.4	134.4	174.4	-178.8	0	0	0	0	109.1	A200 V203 L223	A200-V214 PolarHBondContact N-O 2.94Å; V203-V214 HydrophobicContact CG1-CG2 4.42Å; V203-V214 HydrophobicContact CG2-CB 4.27Å; V214-L223 HydrophobicContact CG1-CD2 3.52Å
215	Y	73.8	Confident	63.5	Low	36 Å²	36	48.8 Å²	48.8	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.5	-170.9	-62.9	-73.9	0	0	0	113	D44 C46 F197 V199 N213 L224	D44-Y215 HydrophobicContact CB-CD2 4.2Å; C46-Y215 HydrophobicContact CB-CD2 3.84Å; C46-Y215 HydrophobicContact CB-CE2 3.48Å; C46-Y215 VanDerWaalsContact CB-CE2 3.48Å; C46-Y215 WeakPolarHBondContact SG-CD2 3.06Å; C46-Y215 VanDerWaalsContact SG-CE2 3.52Å; F197-Y215 HydrophobicContact CB-CD1 3.31Å; F197-Y215 HydrophobicContact CB-CE1 3.74Å; F197-Y215 HydrophobicContact CB-CG 3.99Å; F197-Y215 HydrophobicContact CG-CD1 4.17Å; F197-Y215 HydrophobicContact CG-CG 4.46Å; V199-Y215 HydrophobicContact CG2-CD1 4.02Å; V199-Y215 HydrophobicContact CG2-CE1 3.68Å; N213-Y215 HydrophobicContact CB-CE1 4.2Å; N213-Y215 HydrophobicContact CB-CE2 3.96Å; N213-Y215 VanDerWaalsContact O-CD2 3.23Å; N213-Y215 WeakPolarHBondContact O-CD2 3.43Å; N213-Y215 WeakPolarHBondContact O-CE2 3.5Å; Y215-L224 PolarHBondContact O-N 3.18Å
216	V	77.8	Confident	64	Low	12 Å²	12	48.8 Å²	48.8	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.7	-164.7	-164.2	0	0	0	0	111.2	K198 A200 A218 G221 D222 L223 L224	K198-V216 PolarHBondContact O-N 3.12Å; A200-V216 HydrophobicContact CB-CG2 3.6Å; V216-A218 PolarHBondContact O-N 3.13Å; V216-G221 VanDerWaalsContact CG1-CA 3.43Å; V216-G221 WeakPolarHBondContact CG1-O 3.25Å; V216-D222 CarbonylContact C-O 3.57Å; V216-D222 WeakPolarHBondContact CA-O 3.38Å; V216-D222 WeakPolarHBondContact CG1-O 3.28Å; V216-L223 HydrophobicContact CG2-CD2 4.46Å; V216-L224 VanDerWaalsContact C-CD1 3.48Å; V216-L224 WeakPolarHBondContact O-CD1 3.44Å
217	C	80.6	Confident	64.4	Low	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.309	C	S	.	.			trans	-53.3	120.6	165.7	179.6	0	0	0	0	108.6	L219 T220 G221 D222 L224 T241	C217-L219 PolarHBondContact O-N 3.1Å; C217-L219 VanDerWaalsContact O-N 3.11Å; C217-T220 PolarHBondContact SG-OG1 3.15Å; C217-G221 PolarHBondContact O-N 3.24Å; C217-D222 HydrophobicContact CB-CB 3.91Å; C217-D222 VanDerWaalsContact CB-O 3.3Å; C217-D222 WeakPolarHBondContact CB-O 3.3Å; C217-D222 PolarHBondContact N-O 2.88Å; C217-L224 HydrophobicContact CB-CD2 4.05Å; C217-T241 HydrophobicContact CB-CG2 4.19Å
218	A	79.3	Confident	65.6	Low	4 Å²	4	50.4 Å²	50.4	3%	0.033	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.6	-171.2	0	0	0	0	0	112.8	K198 V216 Y238 V239 F257	K198-A218 HydrophobicContact CB-CB 4.36Å; K198-A218 HydrophobicContact CD-CB 4.34Å; K198-A218 PolarHBondContact NZ-O 2.56Å; V216-A218 PolarHBondContact O-N 3.13Å; A218-Y238 HydrophobicContact CB-CD1 3.92Å; A218-Y238 HydrophobicContact CB-CG 3.96Å; A218-V239 PolarHBondContact N-O 3.03Å; A218-F257 HydrophobicContact CB-CE1 4.25Å; A218-F257 HydrophobicContact CB-CE2 3.81Å; A218-F257 HydrophobicContact CB-CZ 3.39Å
219	L	78.6	Confident	67.2	Low	50 Å²	50	48 Å²	48	26%	0.262	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-68.5	-179.3	-80.8	173.6	0	0	0	113.1	C217 I240 V249 P256 F257	C217-L219 PolarHBondContact O-N 3.1Å; C217-L219 VanDerWaalsContact O-N 3.11Å; L219-I240 HydrophobicContact CB-CG1 4.47Å; L219-I240 HydrophobicContact CD1-CD1 3.52Å; L219-I240 HydrophobicContact CD1-CG1 3.78Å; L219-I240 HydrophobicContact CD1-CG2 4.1Å; L219-I240 HydrophobicContact CG-CD1 3.92Å; L219-I240 HydrophobicContact CG-CG1 4.01Å; L219-V249 HydrophobicContact CD1-CG2 3.92Å; L219-P256 HydrophobicContact CD1-CG 3.84Å; L219-P256 HydrophobicContact CD2-CB 3.52Å; L219-P256 HydrophobicContact CD2-CG 3.26Å; L219-P256 HydrophobicContact CG-CG 3.94Å; L219-F257 HydrophobicContact CB-CZ 4.42Å; L219-F257 HydrophobicContact CD2-CE1 4.02Å; L219-F257 HydrophobicContact CD2-CE2 4.27Å; L219-F257 HydrophobicContact CD2-CZ 3.67Å; L219-F257 HydrophobicContact CG-CE1 4.49Å; L219-F257 HydrophobicContact CG-CE2 4.12Å; L219-F257 HydrophobicContact CG-CZ 3.67Å
220	T	77.4	Confident	69	Low	68 Å²	68	45.2 Å²	45.2	42%	0.417	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-15	-163.3	44	0	0	0	0	114.4	C217 D222	C217-T220 PolarHBondContact SG-OG1 3.15Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 WeakPolarHBondContact CB-OD2 3.18Å; T220-D222 PolarHBondContact OG1-OD2 2.73Å
221	G	75.3	Confident	70.7	Confident	46 Å²	46	42.9 Å²	42.9	47%	0.474	26%	0.259	S	S	.	.			trans	81.9	4.3	-168.9	0	0	0	0	0	114.3	V216 C217	V216-G221 VanDerWaalsContact CG1-CA 3.43Å; V216-G221 WeakPolarHBondContact CG1-O 3.25Å; C217-G221 PolarHBondContact O-N 3.24Å
222	D	74.1	Confident	72.6	Confident	75 Å²	75	41.6 Å²	41.6	40%	0.401	25%	0.245	S	C	.	.			trans	-66.8	135.4	177.7	-60.4	-40.2	0	0	0	112.2	V216 C217 T220 T241	V216-D222 CarbonylContact C-O 3.57Å; V216-D222 WeakPolarHBondContact CA-O 3.38Å; V216-D222 WeakPolarHBondContact CG1-O 3.28Å; C217-D222 HydrophobicContact CB-CB 3.91Å; C217-D222 VanDerWaalsContact CB-O 3.3Å; C217-D222 WeakPolarHBondContact CB-O 3.3Å; C217-D222 PolarHBondContact N-O 2.88Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 WeakPolarHBondContact CB-OD2 3.18Å; T220-D222 PolarHBondContact OG1-OD2 2.73Å; D222-T241 HydrophobicContact CB-CG2 4.14Å
223	L	72.8	Confident	74.2	Confident	98 Å²	98	37.2 Å²	37.2	51%	0.513	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-68.5	132.9	176.7	-69.2	166.2	0	0	0	112.5	V214 V216 N225	V214-L223 HydrophobicContact CG1-CD2 3.52Å; V216-L223 HydrophobicContact CG2-CD2 4.46Å; L223-N225 PolarHBondContact O-N 2.74Å
224	L	69.9	Low	75.3	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	23%	0.225	C	C	.	.			trans	-89.8	91.9	-176.3	-60.7	177.4	0	0	0	111.9	C45 F197 Y215 V216 C217 V239 T241	C45-L224 PolarHBondContact SG-O 2.88Å; F197-L224 HydrophobicContact CD1-CD1 3.98Å; F197-L224 HydrophobicContact CE1-CD1 4.39Å; Y215-L224 PolarHBondContact O-N 3.18Å; V216-L224 VanDerWaalsContact C-CD1 3.48Å; V216-L224 WeakPolarHBondContact O-CD1 3.44Å; C217-L224 HydrophobicContact CB-CD2 4.05Å; L224-V239 HydrophobicContact CD1-CB 4Å; L224-V239 HydrophobicContact CD1-CG1 3.87Å; L224-V239 HydrophobicContact CD2-CG1 4.45Å; L224-T241 HydrophobicContact CD2-CG2 4.08Å
225	N	64.9	Low	76	Confident	84 Å²	84	39 Å²	39	45%	0.449	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-92.8	153.1	178.2	-65.1	-52.8	0	0	0	111.9	C45 L223 A227 T228	C45-N225 VanDerWaalsContact SG-C 3.55Å; L223-N225 PolarHBondContact O-N 2.74Å; N225-A227 PolarHBondContact O-N 3.33Å; N225-T228 PolarHBondContact N-OG1 2.83Å; N225-T228 PolarHBondContact O-N 3.44Å; N225-T228 PolarHBondContact O-OG1 3.32Å
226	N	58.4	Low	76.4	Confident	31 Å²	31	37.8 Å²	37.8	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.4	173.7	-83.2	-22.3	0	0	0	115	F40 F43 C45	F40-N226 PolarHBondContact O-ND2 2.83Å; F43-N226 VanDerWaalsContact O-CG 3.31Å; F43-N226 PolarHBondContact O-ND2 2.9Å; C45-N226 WeakPolarHBondContact CA-OD1 3.14Å
227	A	59.2	Low	76.7	Confident	71 Å²	71	37.8 Å²	37.8	59%	0.587	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-32.6	172.5	0	0	0	0	0	113.8	N225 R272	N225-A227 PolarHBondContact O-N 3.33Å; A227-R272 PolarHBondContact O-NE 2.82Å; A227-R272 PolarHBondContact O-NH2 3.34Å
228	T	70.3	Confident	77	Confident	44 Å²	44	41.2 Å²	41.2	27%	0.27	24%	0.244	S	C	.	.	S	Bend	trans	-68.9	124.7	-178.3	40.5	0	0	0	0	109.8	N225 C230	N225-T228 PolarHBondContact N-OG1 2.83Å; N225-T228 PolarHBondContact O-N 3.44Å; N225-T228 PolarHBondContact O-OG1 3.32Å; T228-C230 PolarHBondContact O-N 2.97Å; T228-C230 PolarHBondContact O-SG 3.42Å
229	P	77.5	Confident	77.3	Confident	52 Å²	52	41 Å²	41	34%	0.338	24%	0.243	S	C	.	.			trans	-69	125.5	173.7	30.5	-32.2	0	0	0	108.6	V242	P229-V242 HydrophobicContact CB-CB 4.23Å; P229-V242 HydrophobicContact CB-CG2 3.81Å; P229-V242 HydrophobicContact CG-CB 4.07Å; P229-V242 HydrophobicContact CG-CG2 4.23Å; P229-V242 PolarHBondContact O-N 3.2Å
230	C	82.2	Confident	77.7	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.8	-171.9	-61.1	0	0	0	0	111.1	T228 V239 I240 L270	T228-C230 PolarHBondContact O-N 2.97Å; T228-C230 PolarHBondContact O-SG 3.42Å; C230-V239 HydrophobicContact CB-CG1 3.96Å; C230-I240 CarbonylContact C-O 3.58Å; C230-I240 VanDerWaalsContact CA-O 3.29Å; C230-I240 WeakPolarHBondContact CA-O 3.43Å; C230-L270 HydrophobicContact CB-CB 4.46Å; C230-L270 HydrophobicContact CB-CD1 3.97Å; C230-L270 PolarHBondContact O-N 2.84Å
231	V	85.3	Confident	78	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.2	-180	177.2	0	0	0	0	108.9	V239 I240 V242 L245 L267 I268 F269	V231-V239 WeakPolarHBondContact O-CA 3.12Å; V231-I240 PolarHBondContact N-O 3.25Å; V231-I240 PolarHBondContact O-N 3.16Å; V231-V242 HydrophobicContact CG2-CG2 3.66Å; V231-L245 HydrophobicContact CG2-CD2 4.15Å; V231-L267 HydrophobicContact CG1-CB 4.06Å; V231-L267 HydrophobicContact CG1-CD2 4.49Å; V231-I268 WeakPolarHBondContact CA-O 3.33Å; V231-F269 HydrophobicContact CG2-CD1 3.44Å; V231-F269 VanDerWaalsContact CG2-CD1 3.44Å; V231-F269 HydrophobicContact CG2-CD2 4.5Å; V231-F269 HydrophobicContact CG2-CE1 3.63Å; V231-F269 HydrophobicContact CG2-CG 3.91Å; V231-F269 HydrophobicContact CG2-CZ 4.24Å
232	V	87.1	Confident	78.5	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	168.6	-166.5	0	0	0	0	108.5	V195 K234 Y238 V239 I268 L270	V195-V232 HydrophobicContact CG1-CG1 4.33Å; V195-V232 HydrophobicContact CG1-CG2 4.34Å; V195-V232 HydrophobicContact CG2-CG1 4.47Å; V195-V232 HydrophobicContact CG2-CG2 4.44Å; V232-K234 PolarHBondContact O-N 3.29Å; V232-Y238 WeakPolarHBondContact CA-O 3.34Å; V232-V239 HydrophobicContact CG2-CG2 4.2Å; V232-I268 HydrophobicContact CB-CB 4.48Å; V232-I268 PolarHBondContact N-O 3.11Å; V232-I268 PolarHBondContact O-N 3.19Å; V232-L270 HydrophobicContact CG2-CD1 4.04Å; V232-L270 HydrophobicContact CG2-CD2 3.7Å; V232-L270 HydrophobicContact CG2-CG 3.89Å
233	L	87.2	Confident	78.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.3	170.1	-63.3	-178.9	0	0	0	109.2	T235 S236 G237 Y238 I240 L245 D255 L262 L267	L233-T235 PolarHBondContact O-N 3.07Å; L233-T235 VanDerWaalsContact O-N 3.14Å; L233-S236 WeakPolarHBondContact CB-OG 3.47Å; L233-S236 PolarHBondContact O-N 3.35Å; L233-G237 WeakPolarHBondContact O-CA 3.27Å; L233-G237 PolarHBondContact O-N 3.06Å; L233-Y238 PolarHBondContact N-O 3.5Å; L233-Y238 VanDerWaalsContact N-O 3.15Å; L233-I240 HydrophobicContact CD1-CD1 3.4Å; L233-I240 VanDerWaalsContact CD1-CD1 3.4Å; L233-I240 HydrophobicContact CG-CD1 3.83Å; L233-L245 HydrophobicContact CD2-CD1 4.35Å; L233-D255 WeakPolarHBondContact CD1-OD1 3.18Å; L233-L262 HydrophobicContact CD1-CD1 4.27Å; L233-L262 HydrophobicContact CD2-CD1 3.95Å; L233-L262 HydrophobicContact CD2-CD2 4.27Å; L233-L267 HydrophobicContact CD2-CD2 3.39Å
234	K	83.5	Confident	79.4	Confident	91 Å²	91	32.1 Å²	32.1	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.7	-177.5	173.1	158.1	136.5	-98.3	0	113.7	L193 V232 D265 D266 I268	L193-K234 HydrophobicContact CD1-CB 4.32Å; L193-K234 HydrophobicContact CD1-CD 3.98Å; L193-K234 HydrophobicContact CD1-CG 3.85Å; V232-K234 PolarHBondContact O-N 3.29Å; K234-D265 PolarHBondContact NZ-O 2.99Å; K234-D266 HydrophobicContact CB-CB 4.08Å; K234-D266 VanDerWaalsContact CB-O 3.27Å; K234-D266 WeakPolarHBondContact CB-O 3.36Å; K234-D266 PolarHBondContact N-O 3.26Å; K234-D266 IonicContact NZ-OD1 2.73Å; K234-D266 PolarHBondContact NZ-OD1 3.05Å; K234-I268 HydrophobicContact CB-CD1 4.43Å; K234-I268 HydrophobicContact CD-CD1 4.34Å
235	T	81.9	Confident	80	Confident	43 Å²	43	32 Å²	32	26%	0.264	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.1	179.9	48.5	0	0	0	0	115	L233 D255 N258 L262 D266	L233-T235 PolarHBondContact O-N 3.07Å; L233-T235 VanDerWaalsContact O-N 3.14Å; T235-D255 WeakPolarHBondContact CB-OD2 3.38Å; T235-D255 PolarHBondContact OG1-OD1 3.09Å; T235-D255 PolarHBondContact OG1-OD2 2.93Å; T235-N258 PolarHBondContact O-ND2 3.46Å; T235-L262 HydrophobicContact CG2-CD2 3.96Å; T235-L262 WeakPolarHBondContact OG1-CD2 3.36Å; T235-D266 HydrophobicContact CG2-CB 4.39Å
236	S	81.6	Confident	81	Confident	11 Å²	11	32.7 Å²	32.7	8%	0.077	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-19.2	-174.4	57.5	0	0	0	0	114	L233 Y238 D255 N258	L233-S236 WeakPolarHBondContact CB-OG 3.47Å; L233-S236 PolarHBondContact O-N 3.35Å; S236-Y238 PolarHBondContact O-N 3.43Å; S236-D255 PolarHBondContact OG-OD1 2.92Å; S236-N258 WeakPolarHBondContact CA-ND2 3.06Å; S236-N258 WeakPolarHBondContact CB-ND2 3.23Å
237	G	84	Confident	82.1	Confident	11 Å²	11	36.8 Å²	36.8	11%	0.113	20%	0.196	C	C	.	.			trans	78.8	-2.4	179.9	0	0	0	0	0	114.4	K196 L233	K196-G237 PolarHBondContact N-O 3.43Å; L233-G237 WeakPolarHBondContact O-CA 3.27Å; L233-G237 PolarHBondContact O-N 3.06Å
238	Y	87.5	Confident	83.2	Confident	72 Å²	72	36.4 Å²	36.4	28%	0.282	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-80.7	150.8	-177.4	-71	-62.9	0	0	0	113	K196 A218 V232 L233 S236 F257	K196-Y238 HydrophobicContact CB-CD1 3.73Å; K196-Y238 HydrophobicContact CB-CE1 3.79Å; K196-Y238 HydrophobicContact CD-CE1 4.15Å; K196-Y238 WeakPolarHBondContact O-CD1 3.31Å; A218-Y238 HydrophobicContact CB-CD1 3.92Å; A218-Y238 HydrophobicContact CB-CG 3.96Å; V232-Y238 WeakPolarHBondContact CA-O 3.34Å; L233-Y238 PolarHBondContact N-O 3.5Å; L233-Y238 VanDerWaalsContact N-O 3.15Å; S236-Y238 PolarHBondContact O-N 3.43Å; Y238-F257 HydrophobicContact CD2-CB 4.13Å; Y238-F257 HydrophobicContact CD2-CD1 4.46Å; Y238-F257 AromaticContact CD2-CD2 3.39Å; Y238-F257 HydrophobicContact CD2-CD2 3.39Å; Y238-F257 AromaticContact CD2-CE2 3.83Å; Y238-F257 HydrophobicContact CD2-CE2 3.83Å; Y238-F257 AromaticContact CD2-CG 3.74Å; Y238-F257 HydrophobicContact CD2-CG 3.74Å; Y238-F257 HydrophobicContact CE2-CB 4.14Å; Y238-F257 HydrophobicContact CE2-CD2 4.15Å; Y238-F257 HydrophobicContact CE2-CG 4.02Å; Y238-F257 HydrophobicContact CG-CD2 4.05Å; Y238-F257 HydrophobicContact CG-CE2 4.02Å
239	V	85.5	Confident	83.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.7	178.9	-168.8	0	0	0	0	111.3	V195 F197 A218 L224 C230 V231 V232 L270	V195-V239 HydrophobicContact CG1-CG2 3.2Å; F197-V239 HydrophobicContact CD1-CB 4.12Å; F197-V239 HydrophobicContact CD1-CG2 3.65Å; F197-V239 HydrophobicContact CE1-CB 4.14Å; F197-V239 HydrophobicContact CE1-CG1 4.19Å; F197-V239 HydrophobicContact CE1-CG2 3.54Å; F197-V239 HydrophobicContact CG-CG2 4.24Å; F197-V239 HydrophobicContact CZ-CG2 4.02Å; A218-V239 PolarHBondContact N-O 3.03Å; L224-V239 HydrophobicContact CD1-CB 4Å; L224-V239 HydrophobicContact CD1-CG1 3.87Å; L224-V239 HydrophobicContact CD2-CG1 4.45Å; C230-V239 HydrophobicContact CB-CG1 3.96Å; V231-V239 WeakPolarHBondContact O-CA 3.12Å; V232-V239 HydrophobicContact CG2-CG2 4.2Å; V239-L270 HydrophobicContact CG1-CD1 4.08Å
240	I	85.2	Confident	84	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.2	-171.7	-77.8	161.4	0	0	0	109.2	L219 C230 V231 L233 S244 L245 F257	L219-I240 HydrophobicContact CB-CG1 4.47Å; L219-I240 HydrophobicContact CD1-CD1 3.52Å; L219-I240 HydrophobicContact CD1-CG1 3.78Å; L219-I240 HydrophobicContact CD1-CG2 4.1Å; L219-I240 HydrophobicContact CG-CD1 3.92Å; L219-I240 HydrophobicContact CG-CG1 4.01Å; C230-I240 CarbonylContact C-O 3.58Å; C230-I240 VanDerWaalsContact CA-O 3.29Å; C230-I240 WeakPolarHBondContact CA-O 3.43Å; V231-I240 PolarHBondContact N-O 3.25Å; V231-I240 PolarHBondContact O-N 3.16Å; L233-I240 HydrophobicContact CD1-CD1 3.4Å; L233-I240 VanDerWaalsContact CD1-CD1 3.4Å; L233-I240 HydrophobicContact CG-CD1 3.83Å; I240-S244 WeakPolarHBondContact CG2-OG 3.33Å; I240-L245 HydrophobicContact CG2-CB 4.22Å; I240-F257 HydrophobicContact CD1-CE2 3.95Å
241	T	84.9	Confident	84	Confident	10 Å²	10	43 Å²	43	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.8	173.8	58.4	0	0	0	0	110.7	C217 D222 L224 E243 S244 L245	C217-T241 HydrophobicContact CB-CG2 4.19Å; D222-T241 HydrophobicContact CB-CG2 4.14Å; L224-T241 HydrophobicContact CD2-CG2 4.08Å; T241-E243 PolarHBondContact O-N 3.45Å; T241-E243 VanDerWaalsContact O-N 3.17Å; T241-S244 PolarHBondContact N-OG 3.23Å; T241-S244 PolarHBondContact O-N 3.3Å; T241-S244 PolarHBondContact O-OG 3.15Å; T241-S244 VanDerWaalsContact O-OG 3.05Å; T241-S244 WeakPolarHBondContact OG1-CB 3.33Å; T241-S244 PolarHBondContact OG1-N 2.83Å; T241-S244 PolarHBondContact OG1-OG 2.74Å; T241-L245 PolarHBondContact O-N 3.38Å
242	V	84.7	Confident	83.8	Confident	21 Å²	21	49.5 Å²	49.5	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-35.3	176.6	171.7	0	0	0	0	111.2	P229 V231 S244 L245 E246 F269	P229-V242 HydrophobicContact CB-CB 4.23Å; P229-V242 HydrophobicContact CB-CG2 3.81Å; P229-V242 HydrophobicContact CG-CB 4.07Å; P229-V242 HydrophobicContact CG-CG2 4.23Å; P229-V242 PolarHBondContact O-N 3.2Å; V231-V242 HydrophobicContact CG2-CG2 3.66Å; V242-S244 PolarHBondContact O-N 3.4Å; V242-L245 WeakPolarHBondContact O-CB 3.39Å; V242-L245 PolarHBondContact O-N 3.21Å; V242-E246 HydrophobicContact CG1-CG 4.25Å; V242-E246 WeakPolarHBondContact O-CB 2.98Å; V242-E246 VanDerWaalsContact O-CG 3.27Å; V242-E246 WeakPolarHBondContact O-CG 3Å; V242-E246 PolarHBondContact O-N 2.93Å; V242-F269 HydrophobicContact CG2-CD1 3.94Å; V242-F269 HydrophobicContact CG2-CE1 3.87Å
243	E	83.4	Confident	83.7	Confident	115 Å²	115	53.5 Å²	53.5	54%	0.537	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-39.7	175.2	-70.5	-168.2	-136.4	0	0	113.7	T241 E246 K247	T241-E243 PolarHBondContact O-N 3.45Å; T241-E243 VanDerWaalsContact O-N 3.17Å; E243-E246 PolarHBondContact O-N 2.77Å; E243-K247 HydrophobicContact CB-CD 4.43Å; E243-K247 VanDerWaalsContact O-CB 3.22Å; E243-K247 WeakPolarHBondContact O-CB 3.22Å; E243-K247 WeakPolarHBondContact O-CD 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.14Å; E243-K247 PolarHBondContact O-N 3.28Å; E243-K247 IonicContact OE2-NZ 3.67Å; E243-K247 PolarHBondContact OE2-NZ 2.85Å
244	S	82.3	Confident	83.6	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-79.1	-29.7	178.7	52.5	0	0	0	0	112.4	I240 T241 V242 E246 V248 V249	I240-S244 WeakPolarHBondContact CG2-OG 3.33Å; T241-S244 PolarHBondContact N-OG 3.23Å; T241-S244 PolarHBondContact O-N 3.3Å; T241-S244 PolarHBondContact O-OG 3.15Å; T241-S244 VanDerWaalsContact O-OG 3.05Å; T241-S244 WeakPolarHBondContact OG1-CB 3.33Å; T241-S244 PolarHBondContact OG1-N 2.83Å; T241-S244 PolarHBondContact OG1-OG 2.74Å; V242-S244 PolarHBondContact O-N 3.4Å; S244-E246 VanDerWaalsContact C-N 3.32Å; S244-E246 PolarHBondContact O-N 3.28Å; S244-V248 WeakPolarHBondContact O-CB 3.26Å; S244-V248 PolarHBondContact O-N 3.19Å; S244-V249 PolarHBondContact O-N 3.27Å
245	L	83.1	Confident	83.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-56	-47.1	163.5	-178.2	84	0	0	0	110.7	V231 L233 I240 T241 V242 V249 K250 L267 F269	V231-L245 HydrophobicContact CG2-CD2 4.15Å; L233-L245 HydrophobicContact CD2-CD1 4.35Å; I240-L245 HydrophobicContact CG2-CB 4.22Å; T241-L245 PolarHBondContact O-N 3.38Å; V242-L245 WeakPolarHBondContact O-CB 3.39Å; V242-L245 PolarHBondContact O-N 3.21Å; L245-V249 HydrophobicContact CD1-CB 3.92Å; L245-V249 HydrophobicContact CD1-CG1 4.03Å; L245-V249 HydrophobicContact CD1-CG2 4.33Å; L245-V249 CarbonylContact O-C 3.53Å; L245-V249 WeakPolarHBondContact O-CB 3.1Å; L245-V249 PolarHBondContact O-N 3.44Å; L245-V249 VanDerWaalsContact O-N 3.09Å; L245-K250 PolarHBondContact O-N 3.44Å; L245-L267 HydrophobicContact CD1-CD1 4.19Å; L245-L267 HydrophobicContact CD1-CD2 3.79Å; L245-L267 HydrophobicContact CD2-CD1 4.26Å; L245-F269 HydrophobicContact CD2-CE1 4.47Å; L245-F269 HydrophobicContact CD2-CZ 4.25Å
246	E	85.4	Confident	83.5	Confident	98 Å²	98	53 Å²	53	46%	0.458	25%	0.253	S	S	.	.	I	π-helix	trans	-76.4	-36.9	-176.8	-69.1	-173.2	147	0	0	113.9	V242 E243 S244 K250	V242-E246 HydrophobicContact CG1-CG 4.25Å; V242-E246 WeakPolarHBondContact O-CB 2.98Å; V242-E246 VanDerWaalsContact O-CG 3.27Å; V242-E246 WeakPolarHBondContact O-CG 3Å; V242-E246 PolarHBondContact O-N 2.93Å; E243-E246 PolarHBondContact O-N 2.77Å; S244-E246 VanDerWaalsContact C-N 3.32Å; S244-E246 PolarHBondContact O-N 3.28Å; E246-K250 HydrophobicContact CG-CD 3.96Å; E246-K250 IonicContact OE1-NZ 3.19Å; E246-K250 PolarHBondContact OE1-NZ 3.29Å
247	K	83	Confident	83.6	Confident	117 Å²	117	56 Å²	56	51%	0.509	27%	0.265	S	S	.	.	I	π-helix	trans	-80.4	-22.9	-178.3	-70.2	164.8	-179.7	172.1	0	113.8	E243 K251	E243-K247 HydrophobicContact CB-CD 4.43Å; E243-K247 VanDerWaalsContact O-CB 3.22Å; E243-K247 WeakPolarHBondContact O-CB 3.22Å; E243-K247 WeakPolarHBondContact O-CD 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.14Å; E243-K247 PolarHBondContact O-N 3.28Å; E243-K247 IonicContact OE2-NZ 3.67Å; E243-K247 PolarHBondContact OE2-NZ 2.85Å; K247-K251 WeakPolarHBondContact O-CD 3.24Å; K247-K251 WeakPolarHBondContact O-CE 3.39Å; K247-K251 PolarHBondContact O-NZ 2.71Å
248	V	81.4	Confident	83.5	Confident	63 Å²	63	58.8 Å²	58.8	38%	0.382	28%	0.277	S	S	.	.	I	π-helix	trans	-125.6	-66.4	-175.3	-172.1	0	0	0	0	111	S244 K250 K251	S244-V248 WeakPolarHBondContact O-CB 3.26Å; S244-V248 PolarHBondContact O-N 3.19Å; V248-K250 PolarHBondContact O-N 3.3Å; V248-K251 WeakPolarHBondContact O-CB 2.99Å; V248-K251 PolarHBondContact O-N 3.17Å
249	V	82.7	Confident	83.1	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.024	29%	0.293	C	S	.	.	I	π-helix	trans	-64.2	-40.9	-167.9	-173.1	0	0	0	0	112.8	L219 S244 L245 K251 E252 W253 P256 L262	L219-V249 HydrophobicContact CD1-CG2 3.92Å; S244-V249 PolarHBondContact O-N 3.27Å; L245-V249 HydrophobicContact CD1-CB 3.92Å; L245-V249 HydrophobicContact CD1-CG1 4.03Å; L245-V249 HydrophobicContact CD1-CG2 4.33Å; L245-V249 CarbonylContact O-C 3.53Å; L245-V249 WeakPolarHBondContact O-CB 3.1Å; L245-V249 PolarHBondContact O-N 3.44Å; L245-V249 VanDerWaalsContact O-N 3.09Å; V249-K251 PolarHBondContact O-N 3.4Å; V249-E252 PolarHBondContact O-N 2.8Å; V249-W253 WeakPolarHBondContact O-CA 3.36Å; V249-W253 PolarHBondContact O-N 2.9Å; V249-P256 HydrophobicContact CG2-CG 4.44Å; V249-L262 HydrophobicContact CG1-CD1 3.49Å; V249-L262 VanDerWaalsContact CG1-CD1 3.49Å
250	K	82.4	Confident	83.1	Confident	74 Å²	74	64.1 Å²	64.1	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-6.9	176.1	-72.4	-168.6	-173.3	171.4	0	114.5	L245 E246 V248 W253	L245-K250 PolarHBondContact O-N 3.44Å; E246-K250 HydrophobicContact CG-CD 3.96Å; E246-K250 IonicContact OE1-NZ 3.19Å; E246-K250 PolarHBondContact OE1-NZ 3.29Å; V248-K250 PolarHBondContact O-N 3.3Å; K250-W253 HydrophobicContact CB-CZ2 4.38Å; K250-W253 HydrophobicContact CG-CH2 4.44Å; K250-W253 HydrophobicContact CG-CZ2 4.11Å; K250-W253 PolarHBondContact O-NE1 2.84Å
251	K	83	Confident	83	Confident	163 Å²	163	72.5 Å²	72.5	71%	0.709	36%	0.356	S	S	*	.	H	α-helix	trans	-85.7	-42	173.5	-67.4	177.6	176.9	158.5	0	112.1	K247 V248 V249	K247-K251 WeakPolarHBondContact O-CD 3.24Å; K247-K251 WeakPolarHBondContact O-CE 3.39Å; K247-K251 PolarHBondContact O-NZ 2.71Å; V248-K251 WeakPolarHBondContact O-CB 2.99Å; V248-K251 PolarHBondContact O-N 3.17Å; V249-K251 PolarHBondContact O-N 3.4Å
252	E	81.1	Confident	82.8	Confident	137 Å²	137	72.5 Å²	72.5	64%	0.64	36%	0.355	S	S	*	.	H	α-helix	trans	-103.3	-20.6	-173.3	-66	176.6	-171.4	0	0	113	V249 I254	V249-E252 PolarHBondContact O-N 2.8Å; E252-I254 WeakPolarHBondContact O-CG1 3.29Å; E252-I254 PolarHBondContact O-N 2.98Å
253	W	84.8	Confident	82.7	Confident	89 Å²	89	75 Å²	75	34%	0.337	37%	0.371	S	S	.	.			trans	51.2	35.2	-175	-70.4	90.4	0	0	0	113.9	V249 K250 K261 L262 E264 L267	V249-W253 WeakPolarHBondContact O-CA 3.36Å; V249-W253 PolarHBondContact O-N 2.9Å; K250-W253 HydrophobicContact CB-CZ2 4.38Å; K250-W253 HydrophobicContact CG-CH2 4.44Å; K250-W253 HydrophobicContact CG-CZ2 4.11Å; K250-W253 PolarHBondContact O-NE1 2.84Å; W253-K261 CarbonylContact O-C 3.5Å; W253-K261 WeakPolarHBondContact O-CA 3.49Å; W253-L262 PolarHBondContact O-N 2.99Å; W253-E264 HydrophobicContact CH2-CG 3.72Å; W253-E264 HydrophobicContact CZ3-CG 3.89Å; W253-L267 HydrophobicContact CZ3-CD1 4.3Å
254	I	84.1	Confident	82.6	Confident	63 Å²	63	76.3 Å²	76.3	32%	0.323	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-124.8	142.3	178.7	-69.7	163.4	0	0	0	109.2	E252 P256 K260 K261	E252-I254 WeakPolarHBondContact O-CG1 3.29Å; E252-I254 PolarHBondContact O-N 2.98Å; I254-P256 WeakPolarHBondContact O-CD 3.4Å; I254-K260 CarbonylContact C-O 3.49Å; I254-K260 WeakPolarHBondContact CA-O 3.22Å; I254-K261 HydrophobicContact CG1-CG 4.29Å
255	D	82.8	Confident	82.5	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.005	41%	0.411	C	S	.	.			trans	-59.9	112.8	167.3	-98.7	-59.7	0	0	0	110	L233 T235 S236 F257 N258 G259 K260	L233-D255 WeakPolarHBondContact CD1-OD1 3.18Å; T235-D255 WeakPolarHBondContact CB-OD2 3.38Å; T235-D255 PolarHBondContact OG1-OD1 3.09Å; T235-D255 PolarHBondContact OG1-OD2 2.93Å; S236-D255 PolarHBondContact OG-OD1 2.92Å; D255-F257 PolarHBondContact O-N 2.72Å; D255-F257 VanDerWaalsContact O-N 3.07Å; D255-N258 HydrophobicContact CB-CB 3.76Å; D255-N258 PolarHBondContact O-N 3.2Å; D255-G259 PolarHBondContact O-N 3.23Å; D255-K260 PolarHBondContact N-O 3.44Å
256	P	80.5	Confident	82.5	Confident	58 Å²	58	84 Å²	84	38%	0.377	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.2	178	27.7	-34	0	0	0	113.7	L219 V249 I254	L219-P256 HydrophobicContact CD1-CG 3.84Å; L219-P256 HydrophobicContact CD2-CB 3.52Å; L219-P256 HydrophobicContact CD2-CG 3.26Å; L219-P256 HydrophobicContact CG-CG 3.94Å; V249-P256 HydrophobicContact CG2-CG 4.44Å; I254-P256 WeakPolarHBondContact O-CD 3.4Å
257	F	83.5	Confident	82.5	Confident	74 Å²	74	80.1 Å²	80.1	33%	0.325	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-24.1	175.7	-54	-60.9	0	0	0	114.4	A218 L219 Y238 I240 D255	A218-F257 HydrophobicContact CB-CE1 4.25Å; A218-F257 HydrophobicContact CB-CE2 3.81Å; A218-F257 HydrophobicContact CB-CZ 3.39Å; L219-F257 HydrophobicContact CB-CZ 4.42Å; L219-F257 HydrophobicContact CD2-CE1 4.02Å; L219-F257 HydrophobicContact CD2-CE2 4.27Å; L219-F257 HydrophobicContact CD2-CZ 3.67Å; L219-F257 HydrophobicContact CG-CE1 4.49Å; L219-F257 HydrophobicContact CG-CE2 4.12Å; L219-F257 HydrophobicContact CG-CZ 3.67Å; Y238-F257 HydrophobicContact CD2-CB 4.13Å; Y238-F257 HydrophobicContact CD2-CD1 4.46Å; Y238-F257 AromaticContact CD2-CD2 3.39Å; Y238-F257 HydrophobicContact CD2-CD2 3.39Å; Y238-F257 AromaticContact CD2-CE2 3.83Å; Y238-F257 HydrophobicContact CD2-CE2 3.83Å; Y238-F257 AromaticContact CD2-CG 3.74Å; Y238-F257 HydrophobicContact CD2-CG 3.74Å; Y238-F257 HydrophobicContact CE2-CB 4.14Å; Y238-F257 HydrophobicContact CE2-CD2 4.15Å; Y238-F257 HydrophobicContact CE2-CG 4.02Å; Y238-F257 HydrophobicContact CG-CD2 4.05Å; Y238-F257 HydrophobicContact CG-CE2 4.02Å; I240-F257 HydrophobicContact CD1-CE2 3.95Å; D255-F257 PolarHBondContact O-N 2.72Å; D255-F257 VanDerWaalsContact O-N 3.07Å
258	N	81.6	Confident	82.6	Confident	70 Å²	70	75.2 Å²	75.2	37%	0.374	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-10.7	-170.1	-72.8	-2.7	0	0	0	113.8	T235 S236 D255 K260	T235-N258 PolarHBondContact O-ND2 3.46Å; S236-N258 WeakPolarHBondContact CA-ND2 3.06Å; S236-N258 WeakPolarHBondContact CB-ND2 3.23Å; D255-N258 HydrophobicContact CB-CB 3.76Å; D255-N258 PolarHBondContact O-N 3.2Å; N258-K260 HydrophobicContact CB-CG 4.32Å; N258-K260 PolarHBondContact O-N 2.93Å; N258-K260 VanDerWaalsContact O-N 3.09Å
259	G	80.6	Confident	82.7	Confident	60 Å²	60	77.3 Å²	77.3	62%	0.619	38%	0.383	S	S	*	.			trans	67	3.5	-176.8	0	0	0	0	0	115.6	D255	D255-G259 PolarHBondContact O-N 3.23Å
260	K	85.2	Confident	82.4	Confident	125 Å²	125	78.7 Å²	78.7	54%	0.543	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-80.6	145	179.3	-65.7	-177.4	179.6	-179.1	0	110.7	I254 D255 N258	I254-K260 CarbonylContact C-O 3.49Å; I254-K260 WeakPolarHBondContact CA-O 3.22Å; D255-K260 PolarHBondContact N-O 3.44Å; N258-K260 HydrophobicContact CB-CG 4.32Å; N258-K260 PolarHBondContact O-N 2.93Å; N258-K260 VanDerWaalsContact O-N 3.09Å
261	K	82.1	Confident	81.6	Confident	177 Å²	177	82.3 Å²	82.3	77%	0.77	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-69.4	136.3	172.1	-65.3	-174.9	178.1	-175.5	0	110.1	W253 I254	W253-K261 CarbonylContact O-C 3.5Å; W253-K261 WeakPolarHBondContact O-CA 3.49Å; I254-K261 HydrophobicContact CG1-CG 4.29Å
262	L	81.6	Confident	80.2	Confident	10 Å²	10	82.5 Å²	82.5	5%	0.052	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-99.9	151.4	-179.1	-78.5	167.2	0	0	0	111.3	L233 T235 V249 W253 D266	L233-L262 HydrophobicContact CD1-CD1 4.27Å; L233-L262 HydrophobicContact CD2-CD1 3.95Å; L233-L262 HydrophobicContact CD2-CD2 4.27Å; T235-L262 HydrophobicContact CG2-CD2 3.96Å; T235-L262 WeakPolarHBondContact OG1-CD2 3.36Å; V249-L262 HydrophobicContact CG1-CD1 3.49Å; V249-L262 VanDerWaalsContact CG1-CD1 3.49Å; W253-L262 PolarHBondContact O-N 2.99Å; L262-D266 HydrophobicContact CD2-CB 4Å
263	T	83.2	Confident	78.6	Confident	74 Å²	74	77.3 Å²	77.3	45%	0.454	38%	0.381	S	S	.	.			trans	-122.4	165.4	169.9	68.8	0	0	0	0	110.3	D265 D266	T263-D265 VanDerWaalsContact C-N 3.26Å; T263-D265 PolarHBondContact O-N 2.9Å; T263-D266 PolarHBondContact N-OD2 2.84Å; T263-D266 WeakPolarHBondContact O-CB 3.43Å; T263-D266 PolarHBondContact O-N 3.1Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.82Å
264	E	80.8	Confident	76.9	Confident	141 Å²	141	73.8 Å²	73.8	66%	0.659	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.5	-31.3	179	-62.4	-163.4	140.7	0	0	112.7	W253 D266 L267	W253-E264 HydrophobicContact CH2-CG 3.72Å; W253-E264 HydrophobicContact CZ3-CG 3.89Å; E264-D266 PolarHBondContact O-N 3.26Å; E264-D266 VanDerWaalsContact O-N 3.16Å; E264-L267 WeakPolarHBondContact O-CB 3.41Å; E264-L267 PolarHBondContact O-N 2.72Å; E264-L267 VanDerWaalsContact O-N 3.08Å
265	D	79.5	Confident	75.2	Confident	141 Å²	141	71.5 Å²	71.5	75%	0.754	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.3	-5.6	174.8	-73.7	-28.7	0	0	0	114	K234 T263	K234-D265 PolarHBondContact NZ-O 2.99Å; T263-D265 VanDerWaalsContact C-N 3.26Å; T263-D265 PolarHBondContact O-N 2.9Å
266	D	83.9	Confident	73.3	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.134	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-97.5	-0.8	172.5	-64.9	-56.6	0	0	0	113.2	K234 T235 L262 T263 E264	K234-D266 HydrophobicContact CB-CB 4.08Å; K234-D266 VanDerWaalsContact CB-O 3.27Å; K234-D266 WeakPolarHBondContact CB-O 3.36Å; K234-D266 PolarHBondContact N-O 3.26Å; K234-D266 IonicContact NZ-OD1 2.73Å; K234-D266 PolarHBondContact NZ-OD1 3.05Å; T235-D266 HydrophobicContact CG2-CB 4.39Å; L262-D266 HydrophobicContact CD2-CB 4Å; T263-D266 PolarHBondContact N-OD2 2.84Å; T263-D266 WeakPolarHBondContact O-CB 3.43Å; T263-D266 PolarHBondContact O-N 3.1Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.82Å; E264-D266 PolarHBondContact O-N 3.26Å; E264-D266 VanDerWaalsContact O-N 3.16Å
267	L	85.4	Confident	71.7	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.089	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	91.6	-174.8	-54.6	-178	0	0	0	111.8	V231 L233 L245 W253 E264 F269	V231-L267 HydrophobicContact CG1-CB 4.06Å; V231-L267 HydrophobicContact CG1-CD2 4.49Å; L233-L267 HydrophobicContact CD2-CD2 3.39Å; L245-L267 HydrophobicContact CD1-CD1 4.19Å; L245-L267 HydrophobicContact CD1-CD2 3.79Å; L245-L267 HydrophobicContact CD2-CD1 4.26Å; W253-L267 HydrophobicContact CZ3-CD1 4.3Å; E264-L267 WeakPolarHBondContact O-CB 3.41Å; E264-L267 PolarHBondContact O-N 2.72Å; E264-L267 VanDerWaalsContact O-N 3.08Å; L267-F269 HydrophobicContact CB-CE2 4.23Å; L267-F269 WeakPolarHBondContact O-CD2 3.47Å; L267-F269 PolarHBondContact O-N 3.41Å
268	I	84.9	Confident	70.1	Confident	13 Å²	13	67.8 Å²	67.8	7%	0.067	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	99.9	-177.8	-56.8	177.1	0	0	0	110.3	V58 L193 V231 V232 K234 L270	V58-I268 HydrophobicContact CG1-CG2 3.81Å; L193-I268 HydrophobicContact CD1-CD1 3.37Å; V231-I268 WeakPolarHBondContact CA-O 3.33Å; V232-I268 HydrophobicContact CB-CB 4.48Å; V232-I268 PolarHBondContact N-O 3.11Å; V232-I268 PolarHBondContact O-N 3.19Å; K234-I268 HydrophobicContact CB-CD1 4.43Å; K234-I268 HydrophobicContact CD-CD1 4.34Å; I268-L270 PolarHBondContact O-N 3.32Å
269	F	82.4	Confident	68.5	Low	107 Å²	107	66 Å²	66	47%	0.469	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	118.1	174	-66.8	-97	0	0	0	111.2	G62 V231 V242 L245 L267 R271	G62-F269 WeakPolarHBondContact CA-O 3.47Å; V231-F269 HydrophobicContact CG2-CD1 3.44Å; V231-F269 VanDerWaalsContact CG2-CD1 3.44Å; V231-F269 HydrophobicContact CG2-CD2 4.5Å; V231-F269 HydrophobicContact CG2-CE1 3.63Å; V231-F269 HydrophobicContact CG2-CG 3.91Å; V231-F269 HydrophobicContact CG2-CZ 4.24Å; V242-F269 HydrophobicContact CG2-CD1 3.94Å; V242-F269 HydrophobicContact CG2-CE1 3.87Å; L245-F269 HydrophobicContact CD2-CE1 4.47Å; L245-F269 HydrophobicContact CD2-CZ 4.25Å; L267-F269 HydrophobicContact CB-CE2 4.23Å; L267-F269 WeakPolarHBondContact O-CD2 3.47Å; L267-F269 PolarHBondContact O-N 3.41Å; F269-R271 PolarHBondContact O-N 3.32Å
270	L	77	Confident	67	Low	34 Å²	34	63.5 Å²	63.5	18%	0.178	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69.5	128.2	178	-67.1	180	0	0	0	110.8	V58 C230 V232 V239 I268 R272	V58-L270 HydrophobicContact CG1-CD2 4.17Å; V58-L270 HydrophobicContact CG2-CD2 3.76Å; C230-L270 HydrophobicContact CB-CB 4.46Å; C230-L270 HydrophobicContact CB-CD1 3.97Å; C230-L270 PolarHBondContact O-N 2.84Å; V232-L270 HydrophobicContact CG2-CD1 4.04Å; V232-L270 HydrophobicContact CG2-CD2 3.7Å; V232-L270 HydrophobicContact CG2-CG 3.89Å; V239-L270 HydrophobicContact CG1-CD1 4.08Å; I268-L270 PolarHBondContact O-N 3.32Å; L270-R272 PolarHBondContact O-N 2.77Å
271	R	65.8	Low	65.3	Low	149 Å²	149	61.8 Å²	61.8	56%	0.562	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-67.7	128.2	177.8	-75.7	-87.3	177.4	167.5	-5.7	109.6	E61 G62 Y63 F269 G273	E61-R271 WeakPolarHBondContact O-CG 3.15Å; G62-R271 PolarHBondContact O-N 2.68Å; Y63-R271 HydrophobicContact CD1-CB 4.23Å; Y63-R271 HydrophobicContact CD2-CG 4.08Å; Y63-R271 HydrophobicContact CE1-CB 3.99Å; Y63-R271 HydrophobicContact CE1-CG 4.12Å; Y63-R271 HydrophobicContact CE2-CB 4.38Å; Y63-R271 HydrophobicContact CE2-CG 3.65Å; Y63-R271 HydrophobicContact CG-CG 4.49Å; F269-R271 PolarHBondContact O-N 3.32Å; R271-G273 PolarHBondContact O-N 3.25Å
272	R	53.4	Low	63.3	Low	168 Å²	168	55.6 Å²	55.6	63%	0.634	28%	0.282	S	S	*	.	S	Bend	trans	-63.4	96.2	176.5	-86.5	-178.2	167.1	153.8	-4.4	111.3	Y28 A227 L270	Y28-R272 PolarHBondContact OH-O 2.92Å; A227-R272 PolarHBondContact O-NE 2.82Å; A227-R272 PolarHBondContact O-NH2 3.34Å; L270-R272 PolarHBondContact O-N 2.77Å
273	G	47.8	Very low	61.3	Low	27 Å²	27	62.3 Å²	62.3	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	82.5	140.7	166.9	0	0	0	0	0	115	Y28 R271	Y28-G273 VanDerWaalsContact CE1-C 3.45Å; Y28-G273 VanDerWaalsContact OH-C 3.31Å; Y28-G273 VanDerWaalsContact OH-CA 3.26Å; Y28-G273 WeakPolarHBondContact OH-CA 3.17Å; Y28-G273 PolarHBondContact OH-O 2.97Å; R271-G273 PolarHBondContact O-N 3.25Å
274	G	49.1	Very low	58.9	Low	15 Å²	15	60.6 Å²	60.6	16%	0.155	31%	0.306	C	S	.	.			trans	104.4	84.7	178.1	0	0	0	0	0	112.7	G276	G274-G276 PolarHBondContact O-N 2.78Å
275	T	47.3	Very low	56.5	Low	15 Å²	15	62.8 Å²	62.8	9%	0.092	32%	0.316	C	S	.	.			trans	-62.7	126.3	160.8	47.6	0	0	0	0	108.8	L48 L64 F277 A278	L48-T275 HydrophobicContact CB-CG2 3.65Å; L48-T275 HydrophobicContact CD1-CG2 4.19Å; L64-T275 HydrophobicContact CB-CG2 4.37Å; L64-T275 HydrophobicContact CD2-CG2 4.44Å; L64-T275 VanDerWaalsContact O-CA 3.25Å; L64-T275 WeakPolarHBondContact O-CA 3.21Å; T275-F277 PolarHBondContact O-N 3.02Å; T275-A278 PolarHBondContact O-N 3.2Å
276	G	43.6	Very low	54.1	Low	1 Å²	1	59.5 Å²	59.5	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.5	-172.3	0	0	0	0	0	115.3	L64 G274 A278 A279 T280	L64-G276 PolarHBondContact O-N 2.93Å; G274-G276 PolarHBondContact O-N 2.78Å; G276-A278 PolarHBondContact O-N 3.1Å; G276-A279 PolarHBondContact O-N 3Å; G276-T280 PolarHBondContact O-N 2.97Å
277	F	47.8	Very low	51.3	Low	31 Å²	31	68.4 Å²	68.4	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-37.4	-46.3	160.4	-98.8	-76.2	0	0	0	114.6	T49 D66 A69 T275 A279 T280	T49-F277 HydrophobicContact CG2-CB 3.98Å; T49-F277 HydrophobicContact CG2-CD1 4.06Å; T49-F277 HydrophobicContact CG2-CD2 3.33Å; T49-F277 HydrophobicContact CG2-CE1 4.23Å; T49-F277 HydrophobicContact CG2-CE2 3.53Å; T49-F277 HydrophobicContact CG2-CG 3.58Å; T49-F277 HydrophobicContact CG2-CZ 3.97Å; D66-F277 HydrophobicContact CB-CE2 3.4Å; D66-F277 VanDerWaalsContact CB-CE2 3.4Å; D66-F277 HydrophobicContact CB-CZ 3.38Å; D66-F277 VanDerWaalsContact N-CE2 3.25Å; A69-F277 HydrophobicContact CB-CD1 3.86Å; A69-F277 HydrophobicContact CB-CE1 3.27Å; A69-F277 HydrophobicContact CB-CE2 4.35Å; A69-F277 HydrophobicContact CB-CZ 3.58Å; T275-F277 PolarHBondContact O-N 3.02Å; F277-A279 PolarHBondContact O-N 2.95Å; F277-T280 PolarHBondContact O-N 3.17Å; F277-T280 VanDerWaalsContact O-N 3.14Å; F277-T280 PolarHBondContact O-OG1 2.88Å
278	A	49.2	Very low	48.6	Very low	24 Å²	24	71.5 Å²	71.5	20%	0.198	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-10.5	-176.7	0	0	0	0	0	113.4	Q23 T275 G276	Q23-A278 PolarHBondContact NE2-O 3.26Å; T275-A278 PolarHBondContact O-N 3.2Å; G276-A278 PolarHBondContact O-N 3.1Å
279	A	47.7	Very low	45.6	Very low	31 Å²	31	77.8 Å²	77.8	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-116.5	-5.5	177.6	0	0	0	0	0	113.9	P181 V182 G276 F277 N281	P181-A279 HydrophobicContact CB-CB 3.85Å; P181-A279 WeakPolarHBondContact O-CB 3.29Å; V182-A279 HydrophobicContact CG2-CB 4.47Å; G276-A279 PolarHBondContact O-N 3Å; F277-A279 PolarHBondContact O-N 2.95Å; A279-N281 VanDerWaalsContact C-N 3.34Å
280	T	48.6	Very low	43	Very low	8 Å²	8	82.2 Å²	82.2	5%	0.049	41%	0.413	C	S	.	.	H	α-helix	trans	-73.9	-26.5	172	57.3	0	0	0	0	112.3	F65 Y73 P181 G276 F277 E282	F65-T280 HydrophobicContact CE1-CG2 4.31Å; Y73-T280 HydrophobicContact CD1-CG2 4.37Å; Y73-T280 HydrophobicContact CD2-CG2 3.75Å; Y73-T280 HydrophobicContact CE2-CG2 4.4Å; Y73-T280 HydrophobicContact CG-CG2 3.73Å; P181-T280 HydrophobicContact CB-CG2 4.36Å; P181-T280 HydrophobicContact CG-CG2 3.87Å; G276-T280 PolarHBondContact O-N 2.97Å; F277-T280 PolarHBondContact O-N 3.17Å; F277-T280 VanDerWaalsContact O-N 3.14Å; F277-T280 PolarHBondContact O-OG1 2.88Å; T280-E282 PolarHBondContact O-N 2.99Å
281	N	49.2	Very low	40.4	Very low	89 Å²	89	86.6 Å²	86.6	48%	0.476	44%	0.444	S	S	.	.			trans	54.8	14.4	-178.2	-67.5	-34.6	0	0	0	115.2	A279	A279-N281 VanDerWaalsContact C-N 3.34Å
282	E	41.8	Very low	38.6	Very low	47 Å²	47	83.8 Å²	83.8	22%	0.22	45%	0.453	C	S	.	.			trans	-92.2	128.6	-177.3	-76.1	-165	152.7	0	0	113.2	K72 Y73 H76 T280 L284	K72-E282 WeakPolarHBondContact CB-OE2 3.45Å; Y73-E282 VanDerWaalsContact CA-CD 3.49Å; Y73-E282 WeakPolarHBondContact CA-OE1 3.43Å; Y73-E282 WeakPolarHBondContact CA-OE2 3.34Å; Y73-E282 PolarHBondContact N-OE1 2.93Å; Y73-E282 PolarHBondContact N-OE2 3.03Å; H76-E282 WeakPolarHBondContact CB-OE1 3.38Å; H76-E282 IonicContact CG-OE1 2.66Å; T280-E282 PolarHBondContact O-N 2.99Å; E282-L284 PolarHBondContact O-N 2.93Å; E282-L284 VanDerWaalsContact O-N 3.17Å
283	N	39.7	Very low	37.2	Very low	152 Å²	152	83 Å²	83	81%	0.813	46%	0.46	S	S	*	.			trans	-81.2	91.6	175.2	-71.3	-40.5	0	0	0	110.9	Q285	N283-Q285 PolarHBondContact O-N 3.45Å
284	L	31.6	Very low	36.1	Very low	37 Å²	37	90.5 Å²	90.5	19%	0.194	49%	0.488	C	S	.	.			trans	-63.5	128	168.4	-77.5	84.7	0	0	0	110	E68 A69 K72 E282 S286	E68-L284 HydrophobicContact CB-CD2 3.89Å; A69-L284 HydrophobicContact CB-CD1 3.72Å; A69-L284 HydrophobicContact CB-CD2 4.12Å; K72-L284 HydrophobicContact CD-CD2 4.18Å; K72-L284 HydrophobicContact CD-CG 3.97Å; E282-L284 PolarHBondContact O-N 2.93Å; E282-L284 VanDerWaalsContact O-N 3.17Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.92Å
285	Q	30.2	Very low	34.9	Very low	187 Å²	187	97.1 Å²	97.1	87%	0.874	52%	0.519	S	S	*	.			trans	-69.1	90.1	168	-67.7	-179.2	-5.6	0	0	109.7	N283	N283-Q285 PolarHBondContact O-N 3.45Å
286	S	30.6	Very low	33.9	Very low	72 Å²	72	104.1 Å²	104.1	50%	0.503	55%	0.55	S	S	.	*			trans	-67.9	172.8	153.9	63.9	0	0	0	0	109.6	L284 V288	L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.92Å; S286-V288 VanDerWaalsContact O-CG2 3.26Å; S286-V288 WeakPolarHBondContact O-CG2 3.44Å; S286-V288 PolarHBondContact O-N 3.34Å
287	K	23.6	Very low	33.1	Very low	212 Å²	212	111.6 Å²	111.6	92%	0.922	59%	0.585	S	S	*	*			trans	-74.5	77	173	-153.6	174.8	-170.3	179.9	0	109	V289	K287-V289 PolarHBondContact O-N 2.96Å; K287-V289 VanDerWaalsContact O-N 3.11Å
288	V	28.6	Very low	32.1	Very low	83 Å²	83	115.6 Å²	115.6	50%	0.503	62%	0.615	S	S	.	*			trans	-69.4	107.8	-169	-161.7	0	0	0	0	110.4	S286 R290	S286-V288 VanDerWaalsContact O-CG2 3.26Å; S286-V288 WeakPolarHBondContact O-CG2 3.44Å; S286-V288 PolarHBondContact O-N 3.34Å; V288-R290 HydrophobicContact CG1-CB 4.14Å; V288-R290 HydrophobicContact CG1-CG 3.61Å; V288-R290 PolarHBondContact O-N 2.63Å
289	V	23.3	Very low	30.9	Very low	145 Å²	145	122 Å²	122	88%	0.879	65%	0.646	S	S	*	*			trans	-76.5	69.3	164.8	-172.8	0	0	0	0	108.6	K287	K287-V289 PolarHBondContact O-N 2.96Å; K287-V289 VanDerWaalsContact O-N 3.11Å
290	R	26.4	Very low	30.3	Very low	199 Å²	199	130.6 Å²	130.6	75%	0.751	67%	0.673	S	S	*	*			trans	-84.5	128.6	162.8	-93.3	169.6	-168	-170.3	4.2	107.6	V288 A292	V288-R290 HydrophobicContact CG1-CB 4.14Å; V288-R290 HydrophobicContact CG1-CG 3.61Å; V288-R290 PolarHBondContact O-N 2.63Å; R290-A292 PolarHBondContact O-N 3.08Å; R290-A292 VanDerWaalsContact O-N 3.11Å
291	P	24	Very low	29.7	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	70%	0.7	S	S	*	*			trans	-65.4	104.6	148.7	28.6	-29.5	0	0	0	107.2
292	A	26.7	Very low	28.9	Very low	89 Å²	89	132.8 Å²	132.8	74%	0.736	70%	0.704	S	S	*	*			trans	-87.9	136.9	170.6	0	0	0	0	0	109.1	R290	R290-A292 PolarHBondContact O-N 3.08Å; R290-A292 VanDerWaalsContact O-N 3.11Å
293	L	25.4	Very low	28.5	Very low	153 Å²	153	136.7 Å²	136.7	80%	0.801	73%	0.726	S	S	*	*			trans	-156	95	179.6	-112.6	171.3	0	0	0	111.2
294	E	23.5	Very low	28.3	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	72%	0.716	S	S	*	*			trans	-129	161.7	146.3	-73.6	-166.9	154.8	0	0	107.8
295	L	25.1	Very low	28.5	Very low	154 Å²	154	138.5 Å²	138.5	81%	0.806	73%	0.734	S	S	*	*			trans	-67	148.6	-166.8	-58.3	70.4	0	0	0	110.6
296	H	24.8	Very low	28.8	Very low	162 Å²	162	137.1 Å²	137.1	75%	0.75	72%	0.722	S	S	*	*			cis	-154	-178.1	49.4	-123.3	-99.4	0	0	0	113.1
297	H	26.2	Very low	29	Very low	158 Å²	158	141.5 Å²	141.5	73%	0.731	73%	0.728	S	S	*	*			trans	-39	157.6	-173.2	-79.3	-127.5	0	0	0	120.5
298	C	27.2	Very low	29.3	Very low	115 Å²	115	138.5 Å²	138.5	78%	0.777	71%	0.711	S	S	*	*			trans	71.8	127.2	170.6	-57.2	0	0	0	0	114.8
299	L	25.4	Very low	29.5	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	72%	0.717	S	S	*	*			cis	-133.5	94.4	15.1	-75.1	154.3	0	0	0	111.4	A301	L299-A301 PolarHBondContact O-N 2.83Å
300	Y	34.4	Very low	30	Very low	211 Å²	211	139.2 Å²	139.2	83%	0.827	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	7	-174.6	-116.8	-88.2	0	0	0	115.7
301	A	36.7	Very low	30.2	Very low	76 Å²	76	134.7 Å²	134.7	63%	0.628	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-34.8	-169.3	0	0	0	0	0	115	L299	L299-A301 PolarHBondContact O-N 2.83Å
302	A	31.2	Very low	30.4	Very low	67 Å²	67	135.1 Å²	135.1	55%	0.554	68%	0.682	S	S	*	*	H	α-helix	trans	-69.5	-47.3	-167.6	0	0	0	0	0	114	I304 I305	A302-I304 VanDerWaalsContact C-N 3.26Å; A302-I304 PolarHBondContact O-N 3.03Å; A302-I305 PolarHBondContact O-N 3.5Å
303	N	33.3	Very low	30.6	Very low	128 Å²	128	134.7 Å²	134.7	68%	0.684	67%	0.673	S	S	*	*	H	α-helix	trans	-74	-12.1	-168.9	-71.4	-7.9	0	0	0	114.5	I305	N303-I305 VanDerWaalsContact C-N 3.29Å
304	I	36.4	Very low	30.7	Very low	115 Å²	115	135.7 Å²	135.7	59%	0.59	67%	0.672	S	S	*	*	H	α-helix	trans	-69	-31.3	173.4	-62.5	176.8	0	0	0	110.5	A302 R308	A302-I304 VanDerWaalsContact C-N 3.26Å; A302-I304 PolarHBondContact O-N 3.03Å; I304-R308 PolarHBondContact O-N 2.82Å
305	I	35.9	Very low	30.8	Very low	113 Å²	113	135.1 Å²	135.1	58%	0.579	67%	0.666	S	S	*	*	H	α-helix	trans	-68.5	-43.1	179.6	-56.6	176	0	0	0	110.7	A302 N303 Y307 R308 L309	A302-I305 PolarHBondContact O-N 3.5Å; N303-I305 VanDerWaalsContact C-N 3.29Å; I305-Y307 PolarHBondContact O-N 3.46Å; I305-R308 WeakPolarHBondContact O-CB 3.46Å; I305-R308 PolarHBondContact O-N 3.16Å; I305-R308 VanDerWaalsContact O-N 3.14Å; I305-L309 PolarHBondContact O-N 3.45Å
306	Y	35.9	Very low	31	Very low	158 Å²	158	131.6 Å²	131.6	62%	0.62	66%	0.655	S	S	*	*	H	α-helix	trans	-63.5	-45.6	-175.3	-161.5	-85.4	0	0	0	112.7	R308 L309 Q310	Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 2.97Å; Y306-L309 PolarHBondContact O-N 3.46Å; Y306-Q310 PolarHBondContact O-N 3.43Å
307	Y	33.9	Very low	31	Very low	163 Å²	163	130.3 Å²	130.3	64%	0.639	65%	0.653	S	S	*	*	H	α-helix	trans	-66.9	-27.6	175.4	-83	-80.4	0	0	0	113.1	I305 I311	I305-Y307 PolarHBondContact O-N 3.46Å; Y307-I311 WeakPolarHBondContact O-CG1 3.39Å; Y307-I311 PolarHBondContact O-N 3.27Å
308	R	30	Very low	30.9	Very low	149 Å²	149	128.6 Å²	128.6	56%	0.562	65%	0.65	S	S	*	*	H	α-helix	trans	-69.9	-36.2	177.8	-153.6	173.4	-166.7	173.6	4.1	112.2	I304 I305 Y306 F312	I304-R308 PolarHBondContact O-N 2.82Å; I305-R308 WeakPolarHBondContact O-CB 3.46Å; I305-R308 PolarHBondContact O-N 3.16Å; I305-R308 VanDerWaalsContact O-N 3.14Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 2.97Å; R308-F312 PolarHBondContact O-N 3.39Å
309	L	33.2	Very low	30.8	Very low	121 Å²	121	131 Å²	131	63%	0.634	65%	0.649	S	S	*	*	H	α-helix	trans	-66.2	-44	173.7	-73.7	165.5	0	0	0	112.1	I305 Y306 F312 S313	I305-L309 PolarHBondContact O-N 3.45Å; Y306-L309 PolarHBondContact O-N 3.46Å; L309-F312 WeakPolarHBondContact O-CB 3.15Å; L309-F312 PolarHBondContact O-N 2.83Å; L309-S313 PolarHBondContact O-N 3.06Å
310	Q	33.9	Very low	30.6	Very low	122 Å²	122	131.8 Å²	131.8	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-74.7	-27.9	-174	-154.4	164	11.4	0	0	113.3	Y306 S313	Y306-Q310 PolarHBondContact O-N 3.43Å; Q310-S313 PolarHBondContact O-N 3.17Å
311	I	30.4	Very low	30	Very low	105 Å²	105	130.1 Å²	130.1	54%	0.538	65%	0.646	S	S	.	*	H	α-helix	trans	-71.3	-36.7	171.8	-67	168.7	0	0	0	111.3	Y307 S313 F314 F315	Y307-I311 WeakPolarHBondContact O-CG1 3.39Å; Y307-I311 PolarHBondContact O-N 3.27Å; I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 3.1Å; I311-F314 PolarHBondContact O-N 3.24Å; I311-F315 HydrophobicContact CG2-CD2 4.36Å; I311-F315 HydrophobicContact CG2-CE2 4.48Å
312	F	28.1	Very low	29.3	Very low	136 Å²	136	135.3 Å²	135.3	60%	0.596	66%	0.657	S	S	*	*	H	α-helix	trans	-59.4	-35.1	173.7	-111.8	-86.1	0	0	0	113	R308 L309 F314	R308-F312 PolarHBondContact O-N 3.39Å; L309-F312 WeakPolarHBondContact O-CB 3.15Å; L309-F312 PolarHBondContact O-N 2.83Å; F312-F314 VanDerWaalsContact C-N 3.35Å; F312-F314 PolarHBondContact O-N 2.67Å
313	S	31	Very low	28.9	Very low	80 Å²	80	137.4 Å²	137.4	56%	0.559	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-16.3	178	-175	0	0	0	0	114.9	L309 Q310 I311 S316	L309-S313 PolarHBondContact O-N 3.06Å; Q310-S313 PolarHBondContact O-N 3.17Å; I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 3.1Å; S313-S316 PolarHBondContact O-OG 2.98Å
314	F	28.9	Very low	28.2	Very low	174 Å²	174	136 Å²	136	76%	0.763	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-24	-175.2	-146	-91.4	0	0	0	112.9	I311 F312 S316	I311-F314 PolarHBondContact O-N 3.24Å; F312-F314 VanDerWaalsContact C-N 3.35Å; F312-F314 PolarHBondContact O-N 2.67Å; F314-S316 VanDerWaalsContact C-N 3.32Å
315	F	25.5	Very low	27.5	Very low	170 Å²	170	139.3 Å²	139.3	75%	0.746	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-6.9	175.2	-89.2	-81.7	0	0	0	114.5	I311	I311-F315 HydrophobicContact CG2-CD2 4.36Å; I311-F315 HydrophobicContact CG2-CE2 4.48Å
316	S	27.8	Very low	26.7	Very low	81 Å²	81	140.9 Å²	140.9	57%	0.566	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-19.4	176.7	60.2	0	0	0	0	114.4	S313 F314	S313-S316 PolarHBondContact O-OG 2.98Å; F314-S316 VanDerWaalsContact C-N 3.32Å
317	N	25.4	Very low	26.1	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	71%	0.711	S	S	*	*	S	Bend	trans	-109.3	45	-167.6	-67.5	16.4	0	0	0	112.7
318	N	24.8	Very low	25.4	Very low	123 Å²	123	140 Å²	140	66%	0.658	72%	0.72	S	S	*	*			trans	-133.1	94.5	169.8	-89.8	-30.9	0	0	0	109.3
319	H	23.7	Very low	25.5	Very low	166 Å²	166	137.9 Å²	137.9	77%	0.769	73%	0.725	S	S	*	*				174.3	164.7	122.5	-107.4	-89.2	0	0	0	114.2
320	F	22.7	Very low	24.9	Very low	175 Å²	175	139.9 Å²	139.9	77%	0.768	74%	0.736	S	S	*	*			trans	70.8	107.2	164.5	-78.6	-70.7	0	0	0	120.5
321	Q	21.3	Very low	24.5	Very low	177 Å²	177	138.9 Å²	138.9	83%	0.827	75%	0.748	S	S	*	*			trans	-58.8	141.8	141.3	-49.2	150.3	-74.4	0	0	109.2
322	Q	22.6	Very low	24	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.864	76%	0.758	S	S	*	*				-161.9	162	126.1	-116.3	170.1	-44.7	0	0	112.7
323	S	21.6	Very low	24	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	77%	0.771	S	S	*	*			trans	-80.1	162.4	-175.5	49.5	0	0	0	0	113.2
324	A	20.1	Very low	23.7	Very low	98 Å²	98	142.3 Å²	142.3	81%	0.81	79%	0.788	S	S	*	*			trans	-53.7	136	177.4	0	0	0	0	0	114.6
325	M	20.6	Very low	23.5	Very low	185 Å²	185	142.2 Å²	142.2	91%	0.911	80%	0.795	S	S	*	*				-168.3	171.6	120.7	-103.7	179.4	-177	0	0	110.5
326	D	19.4	Very low	23.7	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	80%	0.796	S	S	*	*			trans	-74.8	170.7	-161.4	-53	-75.7	0	0	0	116.9
327	S	22.5	Very low	23.8	Very low	125 Å²	125	141.4 Å²	141.4	87%	0.874	81%	0.814	S	S	*	*			trans	90.4	153.4	157.8	75	0	0	0	0	120.9
328	E	20.3	Very low	23.9	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	81%	0.81	S	S	*	*			trans	-91.7	178.4	-172.9	-66.8	-176.7	135.1	0	0	112.6
329	P	32.2	Very low	24.1	Very low	103 Å²	103	140.1 Å²	140.1	67%	0.669	81%	0.808	S	S	*	*			cis	-136.2	-173.5	-30.9	29.7	-8.5	0	0	0	114.5
330	L	21.1	Very low	24.3	Very low	163 Å²	163	140.7 Å²	140.7	85%	0.853	81%	0.811	S	S	*	*			trans	87.3	144.7	141.5	-116.5	133.4	0	0	0	121.5
331	A	23.8	Very low	24.6	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	81%	0.807	S	S	*	*			trans	67.2	141.1	172	0	0	0	0	0	118.5
332	G	20.4	Very low	24.9	Very low	73 Å²	73	133.8 Å²	133.8	75%	0.753	80%	0.799	S	S	*	*			trans	-147.9	170.8	-178.1	0	0	0	0	0	114.4
333	P	28.3	Very low	25.1	Very low	133 Å²	133	131.6 Å²	131.6	86%	0.864	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-100.6	164.6	-171.1	38.3	-34.5	0	0	0	114.9
334	M	24.3	Very low	25.4	Very low	187 Å²	187	134.8 Å²	134.8	92%	0.921	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.3	155.8	-176.2	-59.7	-180	75.1	0	0	114.2
335	L	25.9	Very low	26.1	Very low	173 Å²	173	137.2 Å²	137.2	91%	0.906	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.9	137.9	179.7	-77.7	160.3	0	0	0	113
336	P	28.9	Very low	26.4	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.8	149.8	-178.2	-16.5	32.1	0	0	0	115.8	A338	P336-A338 PolarHBondContact O-N 3.29Å
337	A	30.1	Very low	26.9	Very low	115 Å²	115	130.9 Å²	130.9	95%	0.95	78%	0.775	S	S	*	*	S	Bend	trans	-79.1	67.9	-175.9	0	0	0	0	0	114.6
338	A	28.3	Very low	27.1	Very low	75 Å²	75	136.5 Å²	136.5	62%	0.62	78%	0.777	S	S	*	*			trans	-102.3	2.4	175.9	0	0	0	0	0	114.6	P336	P336-A338 PolarHBondContact O-N 3.29Å
339	Y	28	Very low	27.6	Very low	156 Å²	156	135.2 Å²	135.2	61%	0.612	77%	0.77	S	S	*	*	S	Bend	trans	-84.8	-26.7	-164.4	-159.9	-107.3	0	0	0	115
340	E	28.5	Very low	27.5	Very low	178 Å²	178	139.6 Å²	139.6	83%	0.832	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-77.3	-31.1	-169.3	-60.9	-170	140.9	0	0	114	N342	E340-N342 PolarHBondContact O-N 3.14Å
341	A	27.7	Very low	28	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-62.9	-28.1	-177.2	0	0	0	0	0	113.8	M343	A341-M343 PolarHBondContact O-N 2.96Å
342	N	27.4	Very low	28.5	Very low	123 Å²	123	141.5 Å²	141.5	66%	0.658	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-85.5	-2	-169.9	-80.3	-37.3	0	0	0	115.2	E340	E340-N342 PolarHBondContact O-N 3.14Å
343	M	28.6	Very low	29.6	Very low	140 Å²	140	139.8 Å²	139.8	69%	0.69	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-74.4	-25	177.9	-92.4	-162.5	174.7	0	0	114.4	A341 L345	A341-M343 PolarHBondContact O-N 2.96Å; M343-L345 PolarHBondContact O-N 3.27Å
344	Q	27.5	Very low	30.3	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.822	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-76.5	-18.4	-174.1	-65.6	-171.4	-3.4	0	0	114.3	G346	Q344-G346 VanDerWaalsContact C-N 3.31Å; Q344-G346 PolarHBondContact O-N 2.96Å
345	L	34.2	Very low	31.6	Very low	150 Å²	150	138.5 Å²	138.5	79%	0.785	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-91.2	18.6	-178.5	-67.5	171.8	0	0	0	114.1	M343	M343-L345 PolarHBondContact O-N 3.27Å
346	G	27.1	Very low	33	Very low	62 Å²	62	132 Å²	132	64%	0.639	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-75.7	-19.5	179.5	0	0	0	0	0	115.5	Q344 R348	Q344-G346 VanDerWaalsContact C-N 3.31Å; Q344-G346 PolarHBondContact O-N 2.96Å; G346-R348 VanDerWaalsContact C-N 3.32Å; G346-R348 PolarHBondContact O-N 3.28Å
347	I	29.4	Very low	34.7	Very low	136 Å²	136	126.7 Å²	126.7	70%	0.697	65%	0.649	S	S	*	*			trans	-80.7	78.4	-175.4	-50.1	-178.7	0	0	0	110.4	H349	I347-H349 VanDerWaalsContact C-N 3.29Å; I347-H349 PolarHBondContact O-N 3.11Å
348	R	27.9	Very low	36.8	Very low	242 Å²	242	128.1 Å²	128.1	91%	0.913	64%	0.636	S	S	*	*			trans	-68.5	89.4	162.8	-72	-174.4	176.5	-174.7	-1.4	109.2	G346 K350	G346-R348 VanDerWaalsContact C-N 3.32Å; G346-R348 PolarHBondContact O-N 3.28Å; R348-K350 PolarHBondContact O-N 2.93Å
349	H	29.2	Very low	39.2	Very low	152 Å²	152	124.8 Å²	124.8	70%	0.704	61%	0.607	S	S	*	*			trans	-47.5	137.5	163.2	-78.3	-105.6	0	0	0	109.2	I347 T351	I347-H349 VanDerWaalsContact C-N 3.29Å; I347-H349 PolarHBondContact O-N 3.11Å; H349-T351 PolarHBondContact O-N 3.06Å
350	K	30	Very low	41.5	Very low	195 Å²	195	120.8 Å²	120.8	85%	0.848	60%	0.602	S	S	*	*			trans	-56.8	114.4	155.7	-71	178	-179.7	174.8	0	105.3	R348 Q352	R348-K350 PolarHBondContact O-N 2.93Å; K350-Q352 VanDerWaalsContact C-N 3.35Å; K350-Q352 PolarHBondContact O-N 3.29Å
351	T	31.6	Very low	43.8	Very low	122 Å²	122	113.9 Å²	113.9	75%	0.748	58%	0.576	S	S	*	*			trans	-62.8	98.9	177.5	49.1	0	0	0	0	108.1	H349 S353	H349-T351 PolarHBondContact O-N 3.06Å; T351-S353 PolarHBondContact O-N 2.81Å
352	Q	35.3	Very low	46.1	Very low	183 Å²	183	113 Å²	113	86%	0.855	56%	0.563	S	S	*	*			trans	-56.7	130	163.8	-73.4	174.3	-37.1	0	0	106.6	K350 R354	K350-Q352 VanDerWaalsContact C-N 3.35Å; K350-Q352 PolarHBondContact O-N 3.29Å; Q352-R354 PolarHBondContact O-N 3.22Å
353	S	42.9	Very low	48.8	Very low	37 Å²	37	112.7 Å²	112.7	26%	0.259	56%	0.56	S	S	.	*			trans	-61.1	124	-171.3	51.7	0	0	0	0	110.3	T351 R355 D688	T351-S353 PolarHBondContact O-N 2.81Å; S353-R355 VanDerWaalsContact C-N 3.34Å; S353-R355 PolarHBondContact O-N 3.24Å; S353-R355 PolarHBondContact OG-NH1 3.2Å; S353-R355 VanDerWaalsContact OG-NH1 3.1Å; S353-D688 VanDerWaalsContact CA-OD1 3.28Å; S353-D688 WeakPolarHBondContact CA-OD1 3.44Å; S353-D688 VanDerWaalsContact CA-OD2 3.26Å; S353-D688 WeakPolarHBondContact CA-OD2 3.44Å; S353-D688 WeakPolarHBondContact CB-OD1 3.38Å
354	R	42.9	Very low	51.7	Low	206 Å²	206	106.9 Å²	106.9	78%	0.777	53%	0.532	S	S	*	.			trans	-58.7	87.3	-173.9	-92	-171.8	161.6	-161.8	-3.1	111.7	Q352 D688 S690	Q352-R354 PolarHBondContact O-N 3.22Å; R354-D688 PolarHBondContact N-OD2 3.25Å; R354-S690 VanDerWaalsContact C-OG 3.25Å; R354-S690 PolarHBondContact N-OG 3.47Å; R354-S690 WeakPolarHBondContact O-CB 3.3Å; R354-S690 PolarHBondContact O-OG 2.83Å
355	R	52.8	Low	54.8	Low	87 Å²	87	101.8 Å²	101.8	33%	0.328	51%	0.51	S	S	.	.			trans	-47.6	153.2	178.4	-64.6	-84.1	-177.6	-91.5	-7.6	111.7	S353 S357 L359 S360 E659	S353-R355 VanDerWaalsContact C-N 3.34Å; S353-R355 PolarHBondContact O-N 3.24Å; S353-R355 PolarHBondContact OG-NH1 3.2Å; S353-R355 VanDerWaalsContact OG-NH1 3.1Å; R355-S357 VanDerWaalsContact C-N 3.33Å; R355-S357 WeakPolarHBondContact CB-O 3.33Å; R355-L359 WeakPolarHBondContact CD-O 3.37Å; R355-L359 PolarHBondContact NE-O 3.11Å; R355-S360 PolarHBondContact NE-O 3.31Å; R355-S360 PolarHBondContact NH2-O 2.97Å; R355-E659 WeakPolarHBondContact CD-OE1 3.32Å; R355-E659 IonicContact NE-OE1 2.78Å
356	F	54.1	Low	57.5	Low	35 Å²	35	95 Å²	95	15%	0.154	47%	0.474	C	S	.	.	S	Bend	trans	-90.1	-7.1	171.5	-75.3	-55.9	0	0	0	113.1	P644 E659 M662 S690 C691	F356-P644 HydrophobicContact CB-CG 3.96Å; F356-E659 PolarHBondContact N-OE2 2.84Å; F356-M662 HydrophobicContact CB-CE 4.02Å; F356-M662 HydrophobicContact CB-CG 4.04Å; F356-M662 HydrophobicContact CB-SD 4.03Å; F356-M662 HydrophobicContact CD1-CB 4.02Å; F356-M662 HydrophobicContact CD1-CE 4.31Å; F356-M662 HydrophobicContact CD1-CG 3.89Å; F356-M662 HydrophobicContact CD1-SD 3.39Å; F356-M662 WeakPolarHBondContact CD1-SD 3.48Å; F356-M662 HydrophobicContact CD2-CB 3.79Å; F356-M662 HydrophobicContact CD2-CG 3.91Å; F356-M662 HydrophobicContact CD2-SD 4.49Å; F356-M662 HydrophobicContact CE1-CB 3.86Å; F356-M662 HydrophobicContact CE1-CG 4.24Å; F356-M662 HydrophobicContact CE1-SD 3.85Å; F356-M662 HydrophobicContact CE2-CB 3.59Å; F356-M662 HydrophobicContact CE2-CG 4.23Å; F356-M662 HydrophobicContact CG-CB 3.98Å; F356-M662 HydrophobicContact CG-CE 4.4Å; F356-M662 HydrophobicContact CG-CG 3.71Å; F356-M662 HydrophobicContact CG-SD 3.76Å; F356-M662 HydrophobicContact CZ-CB 3.63Å; F356-M662 HydrophobicContact CZ-CG 4.39Å; F356-S690 WeakPolarHBondContact CD2-O 2.98Å; F356-S690 WeakPolarHBondContact CE2-O 3.49Å; F356-C691 HydrophobicContact CZ-CB 3.91Å; F356-C691 WeakPolarHBondContact CZ-SG 3.37Å
357	S	64.6	Low	60.4	Low	8 Å²	8	98.3 Å²	98.3	6%	0.056	47%	0.473	C	S	.	.	S	Bend	trans	-126.9	173.8	175.2	60.1	0	0	0	0	110.1	R355 L359 E643 E659	R355-S357 VanDerWaalsContact C-N 3.33Å; R355-S357 WeakPolarHBondContact CB-O 3.33Å; S357-L359 PolarHBondContact O-N 3.47Å; S357-L359 WeakPolarHBondContact OG-CB 3.28Å; S357-L359 WeakPolarHBondContact OG-CG 3.37Å; S357-L359 PolarHBondContact OG-N 3.23Å; S357-E643 VanDerWaalsContact CA-CD 3.46Å; S357-E643 WeakPolarHBondContact CA-OE1 3.39Å; S357-E643 WeakPolarHBondContact CA-OE2 3.23Å; S357-E643 VanDerWaalsContact CB-OE2 3.31Å; S357-E643 WeakPolarHBondContact CB-OE2 3.45Å; S357-E659 PolarHBondContact N-OE2 3.48Å; S357-E659 VanDerWaalsContact N-OE2 3.13Å; S357-E659 VanDerWaalsContact OG-CG 3.24Å; S357-E659 WeakPolarHBondContact OG-CG 3.27Å; S357-E659 PolarHBondContact OG-OE2 3.42Å
358	H	75.7	Confident	63.2	Low	145 Å²	145	93.9 Å²	93.9	67%	0.671	46%	0.461	S	S	*	.	S	Bend	trans	-87	17.8	167.4	-64.8	79.6	0	0	0	112.9	Y400 E643	H358-Y400 HydrophobicContact CB-CD1 3.59Å; H358-Y400 HydrophobicContact CB-CE1 3.63Å; H358-Y400 HydrophobicContact CB-CG 4.28Å; H358-E643 IonicContact CE1-OE1 2.8Å; H358-E643 IonicContact CG-OE1 3.73Å; H358-E643 PolarHBondContact N-OE1 2.71Å; H358-E643 PolarHBondContact N-OE2 3.29Å; H358-E643 IonicContact ND1-OE1 2.67Å; H358-E643 PolarHBondContact ND1-OE1 3.12Å
359	L	77.3	Confident	66.3	Low	4 Å²	4	83 Å²	83	2%	0.021	42%	0.42	C	S	.	.			trans	-71.6	139.9	175.7	-62.9	-172.1	0	0	0	112.6	R355 S357 I364 V399 Y400 I645 E659	R355-L359 WeakPolarHBondContact CD-O 3.37Å; R355-L359 PolarHBondContact NE-O 3.11Å; S357-L359 PolarHBondContact O-N 3.47Å; S357-L359 WeakPolarHBondContact OG-CB 3.28Å; S357-L359 WeakPolarHBondContact OG-CG 3.37Å; S357-L359 PolarHBondContact OG-N 3.23Å; L359-I364 HydrophobicContact CB-CD1 4.14Å; L359-I364 HydrophobicContact CD1-CD1 4.49Å; L359-I364 HydrophobicContact CD2-CD1 4.09Å; L359-I364 HydrophobicContact CG-CD1 4.47Å; L359-V399 HydrophobicContact CD2-CG1 3.85Å; L359-V399 WeakPolarHBondContact CD2-O 3.4Å; L359-Y400 HydrophobicContact CD2-CD1 4.23Å; L359-Y400 HydrophobicContact CD2-CE1 4.34Å; L359-I645 HydrophobicContact CD1-CD1 3.86Å; L359-I645 HydrophobicContact CD1-CG1 3.87Å; L359-I645 HydrophobicContact CD1-CG2 3.97Å; L359-I645 HydrophobicContact CD2-CD1 3.9Å; L359-I645 HydrophobicContact CG-CD1 3.72Å; L359-I645 HydrophobicContact CG-CG1 4.2Å; L359-E659 HydrophobicContact CD1-CG 4.25Å
360	S	75.8	Confident	69.3	Low	72 Å²	72	82.5 Å²	82.5	50%	0.503	42%	0.42	S	S	.	.	S	Bend	trans	-65.1	-39	176.7	50.1	0	0	0	0	112.4	R355 G401	R355-S360 PolarHBondContact NE-O 3.31Å; R355-S360 PolarHBondContact NH2-O 2.97Å; S360-G401 PolarHBondContact OG-O 2.82Å; S360-G401 VanDerWaalsContact OG-O 3.14Å
361	A	77	Confident	72.3	Confident	34 Å²	34	73.5 Å²	73.5	28%	0.281	38%	0.382	S	S	.	.	S	Bend	trans	-128.6	151.8	176.8	0	0	0	0	0	111.7	I363 I364	A361-I363 PolarHBondContact O-N 3.03Å; A361-I364 HydrophobicContact CB-CG1 4.11Å
362	P	76.8	Confident	75.3	Confident	64 Å²	64	70.8 Å²	70.8	42%	0.416	36%	0.361	S	S	.	.	S	Bend	trans	-70.2	-15.9	-178.7	30.4	-37.2	0	0	0	113.5	G658 E659	P362-G658 WeakPolarHBondContact O-CA 3.39Å; P362-E659 WeakPolarHBondContact CA-OE1 3.42Å; P362-E659 WeakPolarHBondContact CB-OE1 3.5Å; P362-E659 PolarHBondContact O-N 3.2Å
363	I	83.7	Confident	78.2	Confident	116 Å²	116	62 Å²	62	60%	0.595	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	128	166.3	-55.2	176.8	0	0	0	106.5	A361 Y656 M657	A361-I363 PolarHBondContact O-N 3.03Å; I363-Y656 HydrophobicContact CG2-CD1 4.04Å; I363-M657 CarbonylContact C-O 3.52Å; I363-M657 WeakPolarHBondContact CA-O 3.35Å
364	I	89.5	Confident	80.8	Confident	19 Å²	19	61.9 Å²	61.9	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.1	175.6	-60.5	-176.6	0	0	0	108.1	L359 A361 L366 C403 Y656 M657	L359-I364 HydrophobicContact CB-CD1 4.14Å; L359-I364 HydrophobicContact CD1-CD1 4.49Å; L359-I364 HydrophobicContact CD2-CD1 4.09Å; L359-I364 HydrophobicContact CG-CD1 4.47Å; A361-I364 HydrophobicContact CB-CG1 4.11Å; I364-L366 HydrophobicContact CG2-CD2 4Å; I364-C403 VanDerWaalsContact CD1-SG 3.55Å; I364-C403 HydrophobicContact CG2-CB 4.33Å; I364-Y656 WeakPolarHBondContact O-CA 3.34Å; I364-M657 HydrophobicContact CB-CE 4.3Å; I364-M657 HydrophobicContact CG2-CE 4.1Å; I364-M657 PolarHBondContact N-O 3.3Å; I364-M657 PolarHBondContact O-N 3.33Å
365	L	92.1	Very high	83.3	Confident	68 Å²	68	52 Å²	52	36%	0.356	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.1	177.5	166.4	56.9	0	0	0	108.6	Q367 K654 Y656	L365-Q367 HydrophobicContact CD1-CG 4.13Å; L365-Q367 HydrophobicContact CD2-CG 4.31Å; L365-Q367 HydrophobicContact CG-CG 3.9Å; L365-K654 HydrophobicContact CD1-CB 3.68Å; L365-K654 HydrophobicContact CD1-CD 3.74Å; L365-K654 HydrophobicContact CD1-CG 3.74Å; L365-K654 HydrophobicContact CD2-CD 4.3Å; L365-Y656 HydrophobicContact CB-CD1 4.07Å; L365-Y656 HydrophobicContact CB-CE1 3.87Å; L365-Y656 HydrophobicContact CD1-CD1 4.19Å; L365-Y656 HydrophobicContact CD1-CE1 3.85Å; L365-Y656 HydrophobicContact CD1-CE2 4.24Å; L365-Y656 HydrophobicContact CD2-CE1 4.16Å; L365-Y656 HydrophobicContact CG-CE1 4.16Å
366	L	91.8	Very high	85.4	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.8	174.2	-48.6	174.7	0	0	0	109.4	I364 L385 W397 C403 I655 M657	I364-L366 HydrophobicContact CG2-CD2 4Å; L366-L385 HydrophobicContact CD1-CD1 3.98Å; L366-L385 HydrophobicContact CD1-CD2 4.11Å; L366-W397 HydrophobicContact CB-CD2 4.22Å; L366-W397 HydrophobicContact CB-CE3 4.05Å; L366-W397 HydrophobicContact CB-CH2 4.08Å; L366-W397 HydrophobicContact CB-CZ2 4.2Å; L366-W397 HydrophobicContact CB-CZ3 3.99Å; L366-W397 HydrophobicContact CD1-CB 4.19Å; L366-W397 HydrophobicContact CD1-CD2 3.87Å; L366-W397 HydrophobicContact CD1-CE3 4.25Å; L366-W397 HydrophobicContact CD1-CG 3.85Å; L366-W397 HydrophobicContact CD2-CD2 4.48Å; L366-W397 HydrophobicContact CD2-CE3 4.03Å; L366-W397 HydrophobicContact CD2-CZ3 4.49Å; L366-W397 HydrophobicContact CG-CD2 4.41Å; L366-W397 HydrophobicContact CG-CE3 4.33Å; L366-C403 HydrophobicContact CD2-CB 3.72Å; L366-I655 HydrophobicContact CB-CB 4.24Å; L366-I655 HydrophobicContact CD1-CB 4.37Å; L366-I655 HydrophobicContact CD1-CG2 4.26Å; L366-I655 PolarHBondContact N-O 3.19Å; L366-I655 PolarHBondContact O-N 2.89Å; L366-M657 HydrophobicContact CD1-CE 4.15Å; L366-M657 HydrophobicContact CD2-CE 4.14Å; L366-M657 HydrophobicContact CG-CE 4.37Å
367	Q	88.9	Confident	87.4	Confident	133 Å²	133	47.1 Å²	47.1	62%	0.621	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.3	179.2	-55.4	-162.8	-58.7	0	0	110	L365 W397	L365-Q367 HydrophobicContact CD1-CG 4.13Å; L365-Q367 HydrophobicContact CD2-CG 4.31Å; L365-Q367 HydrophobicContact CG-CG 3.9Å; Q367-W397 WeakPolarHBondContact O-CH2 3.5Å
368	G	87.9	Confident	88.9	Confident	42 Å²	42	47.1 Å²	47.1	43%	0.433	26%	0.257	S	S	.	.			trans	169.2	-20	-177.4	0	0	0	0	0	114.5
369	H	93	Very high	89.7	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.065	23%	0.226	C	C	.	.			trans	-68.7	137.1	164.3	-71.2	-73.8	0	0	0	110.2	V373 S387 D391	H369-V373 HydrophobicContact CB-CG2 3.85Å; H369-V373 VanDerWaalsContact CD2-CG2 3.45Å; H369-V373 WeakPolarHBondContact CD2-CG2 3.31Å; H369-S387 PolarHBondContact CE1-O 3.38Å; H369-S387 PolarHBondContact NE2-OG 2.98Å; H369-D391 WeakPolarHBondContact CA-OD2 3.38Å; H369-D391 WeakPolarHBondContact CB-OD2 3.44Å; H369-D391 IonicContact ND1-OD2 3.04Å
370	M	92.6	Very high	90.1	Very high	142 Å²	142	45.6 Å²	45.6	70%	0.7	25%	0.249	S	C	*	.	S	Bend	trans	-91.1	-8.9	177.6	-60	-61.9	-63.9	0	0	112.1	D391 K653	M370-D391 VanDerWaalsContact C-OD1 3.27Å; M370-D391 WeakPolarHBondContact CA-OD2 3.04Å; M370-D391 WeakPolarHBondContact CB-OD1 3.18Å; M370-D391 PolarHBondContact N-OD2 2.97Å; M370-K653 WeakPolarHBondContact O-CD 3.4Å; M370-K653 WeakPolarHBondContact O-CE 3.24Å; M370-K653 PolarHBondContact O-NZ 3.32Å
371	G	92.9	Very high	90.6	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	25%	0.254	C	S	.	.	S	Bend	trans	-142.7	-171.5	-175.6	0	0	0	0	0	112.5	V373 D391 K653	G371-V373 PolarHBondContact O-N 3.3Å; G371-D391 WeakPolarHBondContact CA-OD1 3.4Å; G371-D391 PolarHBondContact N-OD1 2.7Å; G371-D391 PolarHBondContact N-OD2 3.21Å; G371-K653 WeakPolarHBondContact O-CB 3.44Å; G371-K653 VanDerWaalsContact O-CG 3.27Å; G371-K653 WeakPolarHBondContact O-CG 3.47Å
372	E	94.2	Very high	91.1	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	24%	0.241	S	C	.	.			trans	-64.5	131.1	-177.5	-54.8	-167.3	149.2	0	0	111.3	Y374 G389 F390	E372-Y374 HydrophobicContact CB-CE1 3.82Å; E372-Y374 WeakPolarHBondContact OE2-CE1 3.28Å; E372-Y374 VanDerWaalsContact OE2-CZ 3.27Å; E372-Y374 PolarHBondContact OE2-OH 3.35Å; E372-G389 CarbonylContact O-C 2.95Å; E372-G389 WeakPolarHBondContact O-CA 3.46Å; E372-F390 HydrophobicContact CB-CB 4.26Å; E372-F390 PolarHBondContact O-N 2.77Å
373	V	96.6	Very high	91.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116	172.7	-166.4	0	0	0	0	107.8	H369 G371 A388 N635 A649 G650 I655	H369-V373 HydrophobicContact CB-CG2 3.85Å; H369-V373 VanDerWaalsContact CD2-CG2 3.45Å; H369-V373 WeakPolarHBondContact CD2-CG2 3.31Å; G371-V373 PolarHBondContact O-N 3.3Å; V373-A388 WeakPolarHBondContact CG1-O 3.44Å; V373-N635 PolarHBondContact O-ND2 2.81Å; V373-A649 HydrophobicContact CB-CB 4.18Å; V373-A649 HydrophobicContact CG1-CB 3.78Å; V373-G650 PolarHBondContact N-O 3.33Å; V373-G650 CarbonylContact O-C 3.54Å; V373-I655 HydrophobicContact CG1-CD1 4.34Å; V373-I655 HydrophobicContact CG1-CG1 4.21Å; V373-I655 HydrophobicContact CG2-CG1 4.31Å
374	Y	96.1	Very high	92.1	Very high	33 Å²	33	42.8 Å²	42.8	13%	0.129	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-35.7	178.6	-64	-50.2	0	0	0	111.7	E372 A388 F390 A415 M417 N635	E372-Y374 HydrophobicContact CB-CE1 3.82Å; E372-Y374 WeakPolarHBondContact OE2-CE1 3.28Å; E372-Y374 VanDerWaalsContact OE2-CZ 3.27Å; E372-Y374 PolarHBondContact OE2-OH 3.35Å; Y374-A388 PolarHBondContact N-O 3.25Å; Y374-F390 HydrophobicContact CE2-CB 3.97Å; Y374-F390 HydrophobicContact CE2-CD2 4.36Å; Y374-A415 HydrophobicContact CD2-CB 4.37Å; Y374-A415 HydrophobicContact CE2-CB 3.96Å; Y374-M417 HydrophobicContact CD2-SD 4.18Å; Y374-N635 WeakPolarHBondContact O-CB 3.31Å
375	T	96	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.6	-177.6	44.3	0	0	0	0	114	S387 A388 M417 E418 E636	T375-S387 CarbonylContact O-C 2.79Å; T375-S387 WeakPolarHBondContact O-CA 3.44Å; T375-A388 PolarHBondContact N-O 3.46Å; T375-A388 PolarHBondContact O-N 3.5Å; T375-A388 VanDerWaalsContact O-O 3.09Å; T375-M417 WeakPolarHBondContact CG2-O 3.4Å; T375-E418 HydrophobicContact CG2-CB 4.39Å; T375-E418 HydrophobicContact CG2-CG 4.22Å; T375-E636 WeakPolarHBondContact CA-OE2 3.48Å; T375-E636 WeakPolarHBondContact CB-OE2 3.48Å; T375-E636 HydrophobicContact CG2-CB 4.43Å; T375-E636 WeakPolarHBondContact CG2-OE2 3.39Å
376	A	96.6	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	138	173.5	0	0	0	0	0	110.8	A386 E636 L647 A649	A376-A386 CarbonylContact C-O 3.57Å; A376-A386 WeakPolarHBondContact CA-O 3.46Å; A376-A386 WeakPolarHBondContact CB-O 3.42Å; A376-E636 PolarHBondContact N-OE2 3.31Å; A376-L647 HydrophobicContact CB-CD1 4.22Å; A376-L647 HydrophobicContact CB-CD2 3.71Å; A376-A649 HydrophobicContact CB-CB 3.97Å
377	K	96.5	Very high	92.8	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.078	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.6	-175.7	-72.1	-56.6	-166.6	-159.2	0	112.1	L385 A386 L419 F421 E636 D638	K377-L385 CarbonylContact O-C 3.52Å; K377-L385 VanDerWaalsContact O-CA 3.28Å; K377-L385 WeakPolarHBondContact O-CA 3.02Å; K377-L385 WeakPolarHBondContact O-CB 3.42Å; K377-A386 PolarHBondContact N-O 3.36Å; K377-A386 PolarHBondContact O-N 3.14Å; K377-L419 HydrophobicContact CB-CD1 3.82Å; K377-L419 HydrophobicContact CG-CD1 3.97Å; K377-L419 WeakPolarHBondContact CG-O 3.28Å; K377-F421 HydrophobicContact CB-CD2 4.17Å; K377-F421 HydrophobicContact CB-CE2 4.25Å; K377-E636 WeakPolarHBondContact CE-OE1 3.46Å; K377-E636 IonicContact NZ-OE1 3.87Å; K377-E636 PolarHBondContact NZ-OE1 2.93Å; K377-D638 WeakPolarHBondContact CA-OD2 3.31Å; K377-D638 HydrophobicContact CD-CB 4.15Å; K377-D638 VanDerWaalsContact CD-OD1 3.23Å; K377-D638 WeakPolarHBondContact CD-OD1 3.47Å; K377-D638 WeakPolarHBondContact CD-OD2 3.48Å; K377-D638 WeakPolarHBondContact CE-OD1 3.37Å; K377-D638 IonicContact NZ-OD1 3.58Å; K377-D638 PolarHBondContact NZ-OD1 3.09Å
378	F	95.7	Very high	93.1	Very high	9 Å²	9	32 Å²	32	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	149.9	164.5	-69.5	-73.6	0	0	0	112.2	L385 V399 F421 D638 H640 I645 L647 M657	F378-L385 HydrophobicContact CD1-CB 4.04Å; F378-L385 HydrophobicContact CE1-CB 4.46Å; F378-V399 HydrophobicContact CD1-CG2 3.78Å; F378-V399 HydrophobicContact CE1-CG1 4.23Å; F378-V399 HydrophobicContact CE1-CG2 3.73Å; F378-F421 WeakPolarHBondContact O-CD2 3.35Å; F378-D638 HydrophobicContact CD2-CB 4.25Å; F378-D638 PolarHBondContact N-OD2 3.25Å; F378-H640 AromaticContact CD1-CD2 3.81Å; F378-H640 HydrophobicContact CD2-CB 4.02Å; F378-H640 HydrophobicContact CE1-CB 4.36Å; F378-H640 AromaticContact CE1-CD2 3.75Å; F378-H640 HydrophobicContact CE2-CB 3.8Å; F378-H640 HydrophobicContact CG-CB 4.37Å; F378-H640 HydrophobicContact CZ-CB 3.97Å; F378-I645 HydrophobicContact CZ-CG2 3.99Å; F378-L647 HydrophobicContact CD2-CB 4.28Å; F378-L647 HydrophobicContact CE1-CD1 4.48Å; F378-L647 HydrophobicContact CE2-CB 3.41Å; F378-L647 VanDerWaalsContact CE2-CB 3.41Å; F378-L647 HydrophobicContact CE2-CD1 4.29Å; F378-L647 HydrophobicContact CE2-CG 4.49Å; F378-L647 HydrophobicContact CZ-CB 3.67Å; F378-L647 HydrophobicContact CZ-CD1 4.19Å; F378-M657 HydrophobicContact CE1-SD 4.06Å; F378-M657 HydrophobicContact CZ-SD 4.31Å
379	S	92.5	Very high	93.5	Very high	3 Å²	3	30 Å²	30	2%	0.021	14%	0.143	C	C	.	.			trans	-61.5	167.2	161.7	57.1	0	0	0	0	111.8	E381 G382 T383 F384	S379-E381 VanDerWaalsContact C-N 3.33Å; S379-E381 PolarHBondContact O-N 3.36Å; S379-G382 PolarHBondContact O-N 2.74Å; S379-G382 WeakPolarHBondContact OG-CA 3.49Å; S379-G382 PolarHBondContact OG-N 2.83Å; S379-T383 PolarHBondContact OG-N 3.15Å; S379-F384 VanDerWaalsContact CB-CE2 3.5Å; S379-F384 WeakPolarHBondContact CB-O 3.4Å; S379-F384 PolarHBondContact N-O 2.67Å; S379-F384 PolarHBondContact OG-N 2.74Å; S379-F384 PolarHBondContact OG-O 3.43Å
380	K	87.1	Confident	93.6	Very high	113 Å²	113	35.1 Å²	35.1	49%	0.491	17%	0.166	S	C	.	.	S	Bend	trans	-70.7	-27.2	-179.1	-64.5	-56.7	-175.5	-164.8	0	114	S422 P641	K380-S422 WeakPolarHBondContact CE-O 3.47Å; K380-S422 WeakPolarHBondContact CG-O 3.34Å; K380-P641 WeakPolarHBondContact O-CB 3.33Å; K380-P641 VanDerWaalsContact O-CG 3.3Å; K380-P641 WeakPolarHBondContact O-CG 3.4Å
381	E	85.2	Confident	93.7	Very high	132 Å²	132	30 Å²	30	62%	0.617	14%	0.141	S	C	*	.	S	Bend	trans	-84.4	-24.9	170.2	-56.8	-169.2	143	0	0	112.4	S379 T383	S379-E381 VanDerWaalsContact C-N 3.33Å; S379-E381 PolarHBondContact O-N 3.36Å; E381-T383 VanDerWaalsContact C-N 3.35Å; E381-T383 HydrophobicContact CB-CG2 4.07Å
382	G	87	Confident	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	77.7	18.2	-174.7	0	0	0	0	0	113.9	S379 V399 H640	S379-G382 PolarHBondContact O-N 2.74Å; S379-G382 WeakPolarHBondContact OG-CA 3.49Å; S379-G382 PolarHBondContact OG-N 2.83Å; G382-V399 WeakPolarHBondContact O-CB 3.41Å; G382-V399 VanDerWaalsContact O-CG2 3.29Å; G382-V399 WeakPolarHBondContact O-CG2 3.03Å; G382-H640 WeakPolarHBondContact CA-NE2 3.29Å; G382-H640 PolarHBondContact O-NE2 2.96Å
383	T	89.8	Confident	93.8	Very high	53 Å²	53	34.9 Å²	34.9	33%	0.325	16%	0.161	S	C	.	.	S	Bend	trans	-75.6	-40.1	176.1	44.2	0	0	0	0	111.9	S379 E381 V399	S379-T383 PolarHBondContact OG-N 3.15Å; E381-T383 VanDerWaalsContact C-N 3.35Å; E381-T383 HydrophobicContact CB-CG2 4.07Å; T383-V399 WeakPolarHBondContact O-CB 3.43Å; T383-V399 PolarHBondContact O-N 2.89Å
384	F	92.7	Very high	93.8	Very high	43 Å²	43	34.9 Å²	34.9	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.7	173.4	52.3	-88.1	0	0	0	112.3	S379 W397 F406 F421 M442	S379-F384 VanDerWaalsContact CB-CE2 3.5Å; S379-F384 WeakPolarHBondContact CB-O 3.4Å; S379-F384 PolarHBondContact N-O 2.67Å; S379-F384 PolarHBondContact OG-N 2.74Å; S379-F384 PolarHBondContact OG-O 3.43Å; F384-W397 CarbonylContact C-O 3.55Å; F384-W397 VanDerWaalsContact CA-O 3.25Å; F384-W397 WeakPolarHBondContact CA-O 3.38Å; F384-W397 WeakPolarHBondContact CB-O 3.41Å; F384-F406 HydrophobicContact CB-CE1 3.83Å; F384-F406 HydrophobicContact CB-CZ 4.11Å; F384-F406 HydrophobicContact CG-CZ 4.39Å; F384-F421 HydrophobicContact CD2-CE1 4.17Å; F384-F421 HydrophobicContact CD2-CZ 4.03Å; F384-F421 HydrophobicContact CE2-CD1 4.45Å; F384-F421 AromaticContact CE2-CE1 3.66Å; F384-F421 HydrophobicContact CE2-CE1 3.66Å; F384-F421 AromaticContact CE2-CZ 3.98Å; F384-F421 HydrophobicContact CE2-CZ 3.98Å; F384-M442 HydrophobicContact CD2-CE 4.1Å; F384-M442 HydrophobicContact CE2-CE 3.74Å
385	L	94.5	Very high	93.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.1	173.1	69.3	118.9	0	0	0	110.9	L366 K377 F378 L396 W397 V399 L647 M657	L366-L385 HydrophobicContact CD1-CD1 3.98Å; L366-L385 HydrophobicContact CD1-CD2 4.11Å; K377-L385 CarbonylContact O-C 3.52Å; K377-L385 VanDerWaalsContact O-CA 3.28Å; K377-L385 WeakPolarHBondContact O-CA 3.02Å; K377-L385 WeakPolarHBondContact O-CB 3.42Å; F378-L385 HydrophobicContact CD1-CB 4.04Å; F378-L385 HydrophobicContact CE1-CB 4.46Å; L385-L396 WeakPolarHBondContact O-CA 3.31Å; L385-W397 HydrophobicContact CD1-CB 4.24Å; L385-W397 HydrophobicContact CD1-CG 4.13Å; L385-W397 HydrophobicContact CD2-CB 3.89Å; L385-W397 HydrophobicContact CG-CB 3.86Å; L385-W397 HydrophobicContact CG-CG 4.27Å; L385-W397 PolarHBondContact N-O 3.25Å; L385-W397 PolarHBondContact O-N 3.4Å; L385-V399 HydrophobicContact CB-CG2 4.39Å; L385-V399 HydrophobicContact CD2-CG2 3.73Å; L385-L647 HydrophobicContact CB-CD1 4.45Å; L385-L647 HydrophobicContact CD1-CD1 3.8Å; L385-M657 HydrophobicContact CD2-CE 4.25Å; L385-M657 HydrophobicContact CD2-SD 3.56Å; L385-M657 VanDerWaalsContact CD2-SD 3.56Å
386	A	96.1	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.3	172.7	0	0	0	0	0	110.7	A376 K377 I394 L396 L419 F421 L428	A376-A386 CarbonylContact C-O 3.57Å; A376-A386 WeakPolarHBondContact CA-O 3.46Å; A376-A386 WeakPolarHBondContact CB-O 3.42Å; K377-A386 PolarHBondContact N-O 3.36Å; K377-A386 PolarHBondContact O-N 3.14Å; A386-I394 HydrophobicContact CB-CG2 4.28Å; A386-L396 HydrophobicContact CB-CD2 3.46Å; A386-L396 VanDerWaalsContact CB-CD2 3.46Å; A386-L419 HydrophobicContact CB-CD1 3.77Å; A386-F421 HydrophobicContact CB-CE1 4.4Å; A386-F421 HydrophobicContact CB-CE2 3.79Å; A386-F421 HydrophobicContact CB-CZ 3.47Å; A386-F421 VanDerWaalsContact CB-CZ 3.47Å; A386-L428 HydrophobicContact CB-CD1 3.31Å
387	S	96.7	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	141.2	-178.1	62	0	0	0	0	112.2	H369 T375 I394 L395 W397 I655	H369-S387 PolarHBondContact CE1-O 3.38Å; H369-S387 PolarHBondContact NE2-OG 2.98Å; T375-S387 CarbonylContact O-C 2.79Å; T375-S387 WeakPolarHBondContact O-CA 3.44Å; S387-I394 CarbonylContact O-C 3.56Å; S387-I394 WeakPolarHBondContact O-CA 3.24Å; S387-L395 PolarHBondContact N-O 2.87Å; S387-L395 PolarHBondContact O-N 2.9Å; S387-L395 PolarHBondContact OG-O 2.81Å; S387-W397 PolarHBondContact OG-NE1 2.93Å; S387-I655 WeakPolarHBondContact OG-CD1 3.3Å
388	A	96.5	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.9	-177	0	0	0	0	0	112.6	V373 Y374 T375 K393 I394 I416 L419	V373-A388 WeakPolarHBondContact CG1-O 3.44Å; Y374-A388 PolarHBondContact N-O 3.25Å; T375-A388 PolarHBondContact N-O 3.46Å; T375-A388 PolarHBondContact O-N 3.5Å; T375-A388 VanDerWaalsContact O-O 3.09Å; A388-K393 WeakPolarHBondContact CB-O 3.39Å; A388-I394 HydrophobicContact CB-CG1 4.16Å; A388-I416 HydrophobicContact CB-CB 3.77Å; A388-I416 HydrophobicContact CB-CD1 3.9Å; A388-I416 HydrophobicContact CB-CG1 4.44Å; A388-I416 HydrophobicContact CB-CG2 3.54Å; A388-L419 HydrophobicContact CB-CD2 3.65Å
389	G	94.7	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-134.5	178.6	0	0	0	0	0	113.2	E372 D391 Q392 A415 I416	E372-G389 CarbonylContact O-C 2.95Å; E372-G389 WeakPolarHBondContact O-CA 3.46Å; G389-D391 VanDerWaalsContact C-N 3.25Å; G389-D391 PolarHBondContact O-N 2.68Å; G389-Q392 PolarHBondContact O-N 3.05Å; G389-A415 WeakPolarHBondContact O-CA 3.47Å; G389-I416 PolarHBondContact O-N 3.25Å
390	F	95.6	Very high	92.9	Very high	122 Å²	122	38.8 Å²	38.8	54%	0.535	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.6	-174	-167.9	-93.9	0	0	0	113.7	E372 Y374 Q392	E372-F390 HydrophobicContact CB-CB 4.26Å; E372-F390 PolarHBondContact O-N 2.77Å; Y374-F390 HydrophobicContact CE2-CB 3.97Å; Y374-F390 HydrophobicContact CE2-CD2 4.36Å; F390-Q392 WeakPolarHBondContact O-CG 3.34Å; F390-Q392 PolarHBondContact O-N 3.22Å; F390-Q392 VanDerWaalsContact O-N 3.1Å
391	D	94.1	Very high	92.7	Very high	35 Å²	35	35.6 Å²	35.6	19%	0.187	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.9	-176	-63.3	-43.1	0	0	0	115.6	H369 M370 G371 G389 K393	H369-D391 WeakPolarHBondContact CA-OD2 3.38Å; H369-D391 WeakPolarHBondContact CB-OD2 3.44Å; H369-D391 IonicContact ND1-OD2 3.04Å; M370-D391 VanDerWaalsContact C-OD1 3.27Å; M370-D391 WeakPolarHBondContact CA-OD2 3.04Å; M370-D391 WeakPolarHBondContact CB-OD1 3.18Å; M370-D391 PolarHBondContact N-OD2 2.97Å; G371-D391 WeakPolarHBondContact CA-OD1 3.4Å; G371-D391 PolarHBondContact N-OD1 2.7Å; G371-D391 PolarHBondContact N-OD2 3.21Å; G389-D391 VanDerWaalsContact C-N 3.25Å; G389-D391 PolarHBondContact O-N 2.68Å; D391-K393 PolarHBondContact O-N 2.73Å
392	Q	95.1	Very high	92.4	Very high	75 Å²	75	37.6 Å²	37.6	35%	0.35	19%	0.188	S	C	.	.	S	Bend	trans	63.4	9.1	177.6	-33.4	-174.8	-11.3	0	0	114	G389 F390 H412 T413 G414	G389-Q392 PolarHBondContact O-N 3.05Å; F390-Q392 WeakPolarHBondContact O-CG 3.34Å; F390-Q392 PolarHBondContact O-N 3.22Å; F390-Q392 VanDerWaalsContact O-N 3.1Å; Q392-H412 HydrophobicContact CB-CB 4.35Å; Q392-H412 PolarHBondContact OE1-O 2.9Å; Q392-T413 PolarHBondContact NE2-O 2.82Å; Q392-T413 PolarHBondContact OE1-O 3.07Å; Q392-G414 WeakPolarHBondContact CG-O 3.31Å
393	K	95	Very high	92.2	Very high	96 Å²	96	37.8 Å²	37.8	42%	0.417	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.7	178.7	-68.4	172	-177.6	177.7	0	110.5	A388 D391 V408 L409	A388-K393 WeakPolarHBondContact CB-O 3.39Å; D391-K393 PolarHBondContact O-N 2.73Å; K393-V408 HydrophobicContact CB-CG1 4.35Å; K393-V408 HydrophobicContact CD-CG1 4.1Å; K393-V408 HydrophobicContact CG-CG1 4.31Å; K393-L409 WeakPolarHBondContact CA-O 3.49Å
394	I	96.5	Very high	92	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.5	168.6	-47.9	164.8	0	0	0	106.4	A386 S387 A388 L396 V408 L409 I416 L428 T430 W440	A386-I394 HydrophobicContact CB-CG2 4.28Å; S387-I394 CarbonylContact O-C 3.56Å; S387-I394 WeakPolarHBondContact O-CA 3.24Å; A388-I394 HydrophobicContact CB-CG1 4.16Å; I394-L396 HydrophobicContact CG2-CD2 4.03Å; I394-V408 WeakPolarHBondContact O-CA 3.16Å; I394-L409 HydrophobicContact CB-CB 4.03Å; I394-L409 HydrophobicContact CB-CD1 4.38Å; I394-L409 HydrophobicContact CB-CG 4.32Å; I394-L409 HydrophobicContact CD1-CB 4.15Å; I394-L409 HydrophobicContact CD1-CD1 4.08Å; I394-L409 HydrophobicContact CG1-CB 4.43Å; I394-L409 PolarHBondContact N-O 2.91Å; I394-L409 PolarHBondContact O-N 2.86Å; I394-I416 HydrophobicContact CD1-CD1 4.46Å; I394-I416 HydrophobicContact CG1-CD1 3.72Å; I394-L428 HydrophobicContact CD1-CD2 3.89Å; I394-L428 HydrophobicContact CG2-CD1 4.35Å; I394-T430 HydrophobicContact CD1-CG2 3.48Å; I394-T430 VanDerWaalsContact CD1-CG2 3.48Å; I394-T430 HydrophobicContact CG1-CG2 4.16Å; I394-W440 HydrophobicContact CD1-CD2 4.21Å; I394-W440 HydrophobicContact CD1-CG 4.26Å; I394-W440 HydrophobicContact CD1-CZ2 4.23Å
395	L	95.9	Very high	91.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.3	174.2	-53.7	-175.8	0	0	0	108.7	S387 W397 V408	S387-L395 PolarHBondContact N-O 2.87Å; S387-L395 PolarHBondContact O-N 2.9Å; S387-L395 PolarHBondContact OG-O 2.81Å; L395-W397 HydrophobicContact CB-CZ2 4.04Å; L395-W397 HydrophobicContact CD1-CH2 4.36Å; L395-W397 HydrophobicContact CD1-CZ2 3.69Å; L395-V408 HydrophobicContact CD2-CB 4.18Å; L395-V408 HydrophobicContact CD2-CG1 3.76Å; L395-V408 HydrophobicContact CD2-CG2 3.58Å
396	L	94.9	Very high	91.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	-179.4	-58.1	-178.6	0	0	0	109.1	L385 A386 I394 N405 F406 A407 L409 L428 M442	L385-L396 WeakPolarHBondContact O-CA 3.31Å; A386-L396 HydrophobicContact CB-CD2 3.46Å; A386-L396 VanDerWaalsContact CB-CD2 3.46Å; I394-L396 HydrophobicContact CG2-CD2 4.03Å; L396-N405 PolarHBondContact N-OD1 3.21Å; L396-N405 CarbonylContact O-C 3.52Å; L396-N405 VanDerWaalsContact O-CA 3.31Å; L396-N405 WeakPolarHBondContact O-CA 3.31Å; L396-N405 PolarHBondContact O-OD1 3.38Å; L396-F406 HydrophobicContact CB-CD1 4.4Å; L396-F406 HydrophobicContact CB-CE1 3.84Å; L396-F406 HydrophobicContact CB-CE2 4Å; L396-F406 HydrophobicContact CB-CZ 3.62Å; L396-F406 HydrophobicContact CD1-CE2 4.24Å; L396-F406 HydrophobicContact CD1-CZ 4.32Å; L396-F406 VanDerWaalsContact O-CD1 3.24Å; L396-F406 WeakPolarHBondContact O-CD1 3.28Å; L396-F406 PolarHBondContact O-N 2.68Å; L396-A407 HydrophobicContact CB-CB 4.26Å; L396-A407 WeakPolarHBondContact CB-O 3.28Å; L396-A407 HydrophobicContact CD1-CB 3.95Å; L396-A407 HydrophobicContact CG-CB 4.46Å; L396-A407 PolarHBondContact N-O 3.13Å; L396-L409 HydrophobicContact CD1-CD1 4.21Å; L396-L409 HydrophobicContact CD1-CD2 4.19Å; L396-L409 HydrophobicContact CD1-CG 4.15Å; L396-L428 HydrophobicContact CD2-CD1 4.26Å; L396-M442 HydrophobicContact CD1-CE 3.46Å; L396-M442 VanDerWaalsContact CD1-CE 3.46Å; L396-M442 HydrophobicContact CD1-SD 4.13Å; L396-M442 HydrophobicContact CD2-CE 3.91Å; L396-M442 HydrophobicContact CD2-SD 4.42Å; L396-M442 HydrophobicContact CG-CE 4.29Å
397	W	94.6	Very high	91.4	Very high	14 Å²	14	46.3 Å²	46.3	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.3	-174.5	-41.4	75.1	0	0	0	111.2	L366 Q367 F384 L385 S387 L395 D404 N405	L366-W397 HydrophobicContact CB-CD2 4.22Å; L366-W397 HydrophobicContact CB-CE3 4.05Å; L366-W397 HydrophobicContact CB-CH2 4.08Å; L366-W397 HydrophobicContact CB-CZ2 4.2Å; L366-W397 HydrophobicContact CB-CZ3 3.99Å; L366-W397 HydrophobicContact CD1-CB 4.19Å; L366-W397 HydrophobicContact CD1-CD2 3.87Å; L366-W397 HydrophobicContact CD1-CE3 4.25Å; L366-W397 HydrophobicContact CD1-CG 3.85Å; L366-W397 HydrophobicContact CD2-CD2 4.48Å; L366-W397 HydrophobicContact CD2-CE3 4.03Å; L366-W397 HydrophobicContact CD2-CZ3 4.49Å; L366-W397 HydrophobicContact CG-CD2 4.41Å; L366-W397 HydrophobicContact CG-CE3 4.33Å; Q367-W397 WeakPolarHBondContact O-CH2 3.5Å; F384-W397 CarbonylContact C-O 3.55Å; F384-W397 VanDerWaalsContact CA-O 3.25Å; F384-W397 WeakPolarHBondContact CA-O 3.38Å; F384-W397 WeakPolarHBondContact CB-O 3.41Å; L385-W397 HydrophobicContact CD1-CB 4.24Å; L385-W397 HydrophobicContact CD1-CG 4.13Å; L385-W397 HydrophobicContact CD2-CB 3.89Å; L385-W397 HydrophobicContact CG-CB 3.86Å; L385-W397 HydrophobicContact CG-CG 4.27Å; L385-W397 PolarHBondContact N-O 3.25Å; L385-W397 PolarHBondContact O-N 3.4Å; S387-W397 PolarHBondContact OG-NE1 2.93Å; L395-W397 HydrophobicContact CB-CZ2 4.04Å; L395-W397 HydrophobicContact CD1-CH2 4.36Å; L395-W397 HydrophobicContact CD1-CZ2 3.69Å; W397-D404 VanDerWaalsContact CA-O 3.3Å; W397-D404 WeakPolarHBondContact CA-O 3.39Å; W397-N405 HydrophobicContact CD2-CB 4.03Å; W397-N405 HydrophobicContact CE3-CB 3.62Å; W397-N405 HydrophobicContact CH2-CB 4.16Å; W397-N405 HydrophobicContact CZ3-CB 3.7Å
398	N	92.8	Very high	91.2	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.9	164.7	-69.4	-41.3	0	0	0	109.5	Y400 C403 D404 F406	N398-Y400 VanDerWaalsContact C-N 3.32Å; N398-C403 VanDerWaalsContact O-CA 3.27Å; N398-C403 WeakPolarHBondContact O-CA 3.36Å; N398-C403 WeakPolarHBondContact O-CB 3.41Å; N398-D404 PolarHBondContact N-O 3.22Å; N398-F406 WeakPolarHBondContact OD1-CD1 3.4Å
399	V	89.3	Confident	91.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-74.6	-29.8	174.2	177.7	0	0	0	0	110.6	L359 F378 G382 T383 L385 C403 I645 M657	L359-V399 HydrophobicContact CD2-CG1 3.85Å; L359-V399 WeakPolarHBondContact CD2-O 3.4Å; F378-V399 HydrophobicContact CD1-CG2 3.78Å; F378-V399 HydrophobicContact CE1-CG1 4.23Å; F378-V399 HydrophobicContact CE1-CG2 3.73Å; G382-V399 WeakPolarHBondContact O-CB 3.41Å; G382-V399 VanDerWaalsContact O-CG2 3.29Å; G382-V399 WeakPolarHBondContact O-CG2 3.03Å; T383-V399 WeakPolarHBondContact O-CB 3.43Å; T383-V399 PolarHBondContact O-N 2.89Å; L385-V399 HydrophobicContact CB-CG2 4.39Å; L385-V399 HydrophobicContact CD2-CG2 3.73Å; V399-C403 PolarHBondContact O-SG 3.21Å; V399-I645 HydrophobicContact CG1-CD1 4.16Å; V399-M657 HydrophobicContact CG1-SD 4.31Å
400	Y	87.3	Confident	91	Very high	63 Å²	63	54 Å²	54	25%	0.247	29%	0.285	C	S	.	.	S	Bend	trans	-110	162.9	-170.9	-55.2	-55.4	0	0	0	113.4	H358 L359 N398 C403 H640 E643	H358-Y400 HydrophobicContact CB-CD1 3.59Å; H358-Y400 HydrophobicContact CB-CE1 3.63Å; H358-Y400 HydrophobicContact CB-CG 4.28Å; L359-Y400 HydrophobicContact CD2-CD1 4.23Å; L359-Y400 HydrophobicContact CD2-CE1 4.34Å; N398-Y400 VanDerWaalsContact C-N 3.32Å; Y400-C403 PolarHBondContact O-N 2.7Å; Y400-H640 AromaticContact CE2-NE2 3.72Å; Y400-H640 AromaticContact CZ-NE2 3.21Å; Y400-H640 PolarHBondContact OH-CE1 3.36Å; Y400-H640 PolarHBondContact OH-NE2 3.12Å; Y400-E643 WeakPolarHBondContact CE1-OE2 3.24Å; Y400-E643 VanDerWaalsContact OH-CD 3.3Å; Y400-E643 PolarHBondContact OH-OE2 3.03Å
401	G	82.4	Confident	90.7	Very high	46 Å²	46	50 Å²	50	47%	0.474	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-126.2	-179.9	0	0	0	0	0	113.1	S360 C403	S360-G401 PolarHBondContact OG-O 2.82Å; S360-G401 VanDerWaalsContact OG-O 3.14Å; G401-C403 VanDerWaalsContact C-N 3.28Å
402	E	78.4	Confident	90.8	Very high	173 Å²	173	48.8 Å²	48.8	81%	0.808	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.7	175.9	-55	-166.7	176.5	0	0	112.3
403	C	83.5	Confident	90.8	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.034	29%	0.285	C	S	.	.			trans	61.5	36.5	178.5	-54.2	0	0	0	0	114.5	I364 L366 N398 V399 Y400 G401 M657	I364-C403 VanDerWaalsContact CD1-SG 3.55Å; I364-C403 HydrophobicContact CG2-CB 4.33Å; L366-C403 HydrophobicContact CD2-CB 3.72Å; N398-C403 VanDerWaalsContact O-CA 3.27Å; N398-C403 WeakPolarHBondContact O-CA 3.36Å; N398-C403 WeakPolarHBondContact O-CB 3.41Å; V399-C403 PolarHBondContact O-SG 3.21Å; Y400-C403 PolarHBondContact O-N 2.7Å; G401-C403 VanDerWaalsContact C-N 3.28Å; C403-M657 HydrophobicContact CB-CE 4.37Å
404	D	86.1	Confident	90.8	Very high	89 Å²	89	45.8 Å²	45.8	48%	0.476	27%	0.268	S	S	.	.			trans	-60.1	144.9	-177.3	-59.5	-66.8	0	0	0	114.2	W397 N398 F406	W397-D404 VanDerWaalsContact CA-O 3.3Å; W397-D404 WeakPolarHBondContact CA-O 3.39Å; N398-D404 PolarHBondContact N-O 3.22Å; D404-F406 PolarHBondContact O-N 2.76Å
405	N	88.3	Confident	90.7	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	97.3	162.9	171.9	36.9	0	0	0	109.3	L396 W397 A407 V408	L396-N405 PolarHBondContact N-OD1 3.21Å; L396-N405 CarbonylContact O-C 3.52Å; L396-N405 VanDerWaalsContact O-CA 3.31Å; L396-N405 WeakPolarHBondContact O-CA 3.31Å; L396-N405 PolarHBondContact O-OD1 3.38Å; W397-N405 HydrophobicContact CD2-CB 4.03Å; W397-N405 HydrophobicContact CE3-CB 3.62Å; W397-N405 HydrophobicContact CH2-CB 4.16Å; W397-N405 HydrophobicContact CZ3-CB 3.7Å; N405-A407 PolarHBondContact OD1-O 2.95Å; N405-V408 WeakPolarHBondContact ND2-CG2 3.46Å
406	F	90.7	Very high	90.8	Very high	95 Å²	95	45.9 Å²	45.9	42%	0.417	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-22.2	-173.9	66.5	-94	0	0	0	113.7	F384 L396 N398 D404	F384-F406 HydrophobicContact CB-CE1 3.83Å; F384-F406 HydrophobicContact CB-CZ 4.11Å; F384-F406 HydrophobicContact CG-CZ 4.39Å; L396-F406 HydrophobicContact CB-CD1 4.4Å; L396-F406 HydrophobicContact CB-CE1 3.84Å; L396-F406 HydrophobicContact CB-CE2 4Å; L396-F406 HydrophobicContact CB-CZ 3.62Å; L396-F406 HydrophobicContact CD1-CE2 4.24Å; L396-F406 HydrophobicContact CD1-CZ 4.32Å; L396-F406 VanDerWaalsContact O-CD1 3.24Å; L396-F406 WeakPolarHBondContact O-CD1 3.28Å; L396-F406 PolarHBondContact O-N 2.68Å; N398-F406 WeakPolarHBondContact OD1-CD1 3.4Å; D404-F406 PolarHBondContact O-N 2.76Å
407	A	91	Very high	90.9	Very high	31 Å²	31	47.6 Å²	47.6	26%	0.256	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.1	-178.3	0	0	0	0	0	113.2	L396 N405	L396-A407 HydrophobicContact CB-CB 4.26Å; L396-A407 WeakPolarHBondContact CB-O 3.28Å; L396-A407 HydrophobicContact CD1-CB 3.95Å; L396-A407 HydrophobicContact CG-CB 4.46Å; L396-A407 PolarHBondContact N-O 3.13Å; N405-A407 PolarHBondContact OD1-O 2.95Å
408	V	93.6	Very high	91	Very high	70 Å²	70	47.3 Å²	47.3	42%	0.424	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.5	-178.5	179.9	0	0	0	0	110	K393 I394 L395 N405	K393-V408 HydrophobicContact CB-CG1 4.35Å; K393-V408 HydrophobicContact CD-CG1 4.1Å; K393-V408 HydrophobicContact CG-CG1 4.31Å; I394-V408 WeakPolarHBondContact O-CA 3.16Å; L395-V408 HydrophobicContact CD2-CB 4.18Å; L395-V408 HydrophobicContact CD2-CG1 3.76Å; L395-V408 HydrophobicContact CD2-CG2 3.58Å; N405-V408 WeakPolarHBondContact ND2-CG2 3.46Å
409	L	94.2	Very high	91.1	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.9	175.7	-39.6	-179	0	0	0	109	K393 I394 L396 W440	K393-L409 WeakPolarHBondContact CA-O 3.49Å; I394-L409 HydrophobicContact CB-CB 4.03Å; I394-L409 HydrophobicContact CB-CD1 4.38Å; I394-L409 HydrophobicContact CB-CG 4.32Å; I394-L409 HydrophobicContact CD1-CB 4.15Å; I394-L409 HydrophobicContact CD1-CD1 4.08Å; I394-L409 HydrophobicContact CG1-CB 4.43Å; I394-L409 PolarHBondContact N-O 2.91Å; I394-L409 PolarHBondContact O-N 2.86Å; L396-L409 HydrophobicContact CD1-CD1 4.21Å; L396-L409 HydrophobicContact CD1-CD2 4.19Å; L396-L409 HydrophobicContact CD1-CG 4.15Å; L409-W440 HydrophobicContact CB-CD2 4.37Å; L409-W440 HydrophobicContact CB-CE3 3.96Å; L409-W440 HydrophobicContact CB-CZ3 4.07Å; L409-W440 HydrophobicContact CD1-CB 3.89Å; L409-W440 HydrophobicContact CD1-CD2 4.09Å; L409-W440 HydrophobicContact CD1-CE3 4.16Å; L409-W440 HydrophobicContact CD1-CG 3.97Å
410	S	91.8	Very high	91.4	Very high	81 Å²	81	45.9 Å²	45.9	57%	0.566	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.4	-177.9	67.4	0	0	0	0	111.8	W440	S410-W440 WeakPolarHBondContact O-CH2 3.4Å
411	G	90.5	Very high	91.7	Very high	39 Å²	39	43.3 Å²	43.3	40%	0.402	26%	0.259	S	S	.	.			trans	136.4	-7.4	176.3	0	0	0	0	0	114.7	R438	G411-R438 PolarHBondContact O-NH1 3.24Å; G411-R438 PolarHBondContact O-NH2 3.48Å
412	H	95	Very high	92.1	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.042	24%	0.241	C	C	.	.			trans	-61.4	147.1	155	-80.6	-72.6	0	0	0	109.9	Q392 I416 S432 D434 T436 R438 W440	Q392-H412 HydrophobicContact CB-CB 4.35Å; Q392-H412 PolarHBondContact OE1-O 2.9Å; H412-I416 HydrophobicContact CB-CD1 4.24Å; H412-I416 HydrophobicContact CB-CG1 4.16Å; H412-S432 WeakPolarHBondContact CE1-CB 3.38Å; H412-S432 PolarHBondContact CE1-OG 3.26Å; H412-S432 WeakPolarHBondContact ND1-CB 3.35Å; H412-S432 PolarHBondContact ND1-OG 2.9Å; H412-S432 VanDerWaalsContact ND1-OG 3.11Å; H412-S432 WeakPolarHBondContact NE2-CB 3.15Å; H412-S432 PolarHBondContact NE2-OG 2.64Å; H412-D434 WeakPolarHBondContact CA-OD2 3.49Å; H412-D434 VanDerWaalsContact CE1-CB 3.46Å; H412-D434 WeakPolarHBondContact CE1-CB 3.36Å; H412-D434 IonicContact CE1-OD1 2.05Å; H412-D434 IonicContact CE1-OD2 2.68Å; H412-D434 PolarHBondContact CE1-OD2 2.82Å; H412-D434 IonicContact CG-OD2 2.7Å; H412-D434 IonicContact ND1-OD2 3.88Å; H412-D434 PolarHBondContact ND1-OD2 3.04Å; H412-T436 PolarHBondContact NE2-O 3.06Å; H412-R438 VanDerWaalsContact CA-NH2 3.34Å; H412-R438 PolarHBondContact ND1-NE 3.41Å; H412-R438 WeakPolarHBondContact NE2-CG 3.41Å; H412-W440 AromaticContact CD2-CZ2 3.83Å
413	T	94.9	Very high	92.4	Very high	102 Å²	102	36.7 Å²	36.7	63%	0.626	23%	0.229	S	C	*	.	S	Bend	trans	-111.9	11.8	-179.4	40.9	0	0	0	0	111.8	Q392 D434	Q392-T413 PolarHBondContact NE2-O 2.82Å; Q392-T413 PolarHBondContact OE1-O 3.07Å; T413-D434 WeakPolarHBondContact CA-OD1 3.21Å; T413-D434 WeakPolarHBondContact CB-OD1 3.35Å; T413-D434 PolarHBondContact N-OD1 2.6Å; T413-D434 PolarHBondContact N-OD2 2.8Å; T413-D434 PolarHBondContact OG1-OD1 3.36Å; T413-D434 PolarHBondContact OG1-OD2 3.26Å
414	G	94.9	Very high	92.4	Very high	6 Å²	6	41.8 Å²	41.8	6%	0.062	25%	0.252	C	S	.	.	S	Bend	trans	-160.4	167.3	-173.9	0	0	0	0	0	110.3	Q392 T433 D434	Q392-G414 WeakPolarHBondContact CG-O 3.31Å; G414-T433 WeakPolarHBondContact CA-OG1 3.37Å; G414-D434 PolarHBondContact N-OD1 3.31Å
415	A	95.6	Very high	92.3	Very high	10 Å²	10	38 Å²	38	8%	0.083	23%	0.233	C	C	.	.			trans	-59.4	141.1	-177.1	0	0	0	0	0	112	Y374 G389 S432 T433	Y374-A415 HydrophobicContact CD2-CB 4.37Å; Y374-A415 HydrophobicContact CE2-CB 3.96Å; G389-A415 WeakPolarHBondContact O-CA 3.47Å; A415-S432 CarbonylContact O-C 3.59Å; A415-S432 WeakPolarHBondContact O-CA 3.29Å; A415-S432 WeakPolarHBondContact O-CB 3.24Å; A415-T433 HydrophobicContact CB-CG2 4.26Å; A415-T433 PolarHBondContact N-OG1 2.86Å; A415-T433 PolarHBondContact O-N 3.08Å
416	I	97.7	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.8	179	-63	167.3	0	0	0	108.1	A388 G389 I394 H412 T430 C431	A388-I416 HydrophobicContact CB-CB 3.77Å; A388-I416 HydrophobicContact CB-CD1 3.9Å; A388-I416 HydrophobicContact CB-CG1 4.44Å; A388-I416 HydrophobicContact CB-CG2 3.54Å; G389-I416 PolarHBondContact O-N 3.25Å; I394-I416 HydrophobicContact CD1-CD1 4.46Å; I394-I416 HydrophobicContact CG1-CD1 3.72Å; H412-I416 HydrophobicContact CB-CD1 4.24Å; H412-I416 HydrophobicContact CB-CG1 4.16Å; I416-T430 HydrophobicContact CG2-CG2 3.89Å; I416-C431 WeakPolarHBondContact CA-O 3.36Å
417	M	96.3	Very high	92.4	Very high	38 Å²	38	34.8 Å²	34.8	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-21.4	-167.3	-72.3	-65.4	-171.8	0	0	114	Y374 T375 C431 T433 R594	Y374-M417 HydrophobicContact CD2-SD 4.18Å; T375-M417 WeakPolarHBondContact CG2-O 3.4Å; M417-C431 PolarHBondContact N-O 2.93Å; M417-T433 HydrophobicContact CE-CG2 3.55Å; M417-T433 HydrophobicContact CG-CG2 4.22Å; M417-R594 PolarHBondContact O-NH1 3.02Å
418	E	96.1	Very high	92.5	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151.7	170.4	-157	170.7	-170.2	0	0	110.7	T375 H420 T430 C431 S460 C461 R594	T375-E418 HydrophobicContact CG2-CB 4.39Å; T375-E418 HydrophobicContact CG2-CG 4.22Å; E418-H420 VanDerWaalsContact CD-NE2 3.32Å; E418-H420 IonicContact OE1-CD2 3.31Å; E418-H420 IonicContact OE1-CE1 3.99Å; E418-H420 IonicContact OE1-NE2 3.72Å; E418-H420 PolarHBondContact OE1-NE2 3.2Å; E418-T430 WeakPolarHBondContact O-CA 3.43Å; E418-C431 WeakPolarHBondContact CB-SG 3.37Å; E418-C431 PolarHBondContact N-SG 2.84Å; E418-C431 PolarHBondContact O-N 3.15Å; E418-S460 WeakPolarHBondContact OE2-CA 3.39Å; E418-S460 WeakPolarHBondContact OE2-CB 3.22Å; E418-C461 PolarHBondContact OE2-N 2.76Å; E418-R594 IonicContact OE2-NH1 2.73Å
419	L	96	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.1	174.9	70.2	94.8	0	0	0	111.3	K377 A386 A388 L428 V429 T430	K377-L419 HydrophobicContact CB-CD1 3.82Å; K377-L419 HydrophobicContact CG-CD1 3.97Å; K377-L419 WeakPolarHBondContact CG-O 3.28Å; A386-L419 HydrophobicContact CB-CD1 3.77Å; A388-L419 HydrophobicContact CB-CD2 3.65Å; L419-L428 HydrophobicContact CD1-CD1 4.44Å; L419-V429 CarbonylContact C-O 3.52Å; L419-V429 WeakPolarHBondContact CA-O 3.21Å; L419-T430 HydrophobicContact CB-CG2 3.87Å
420	H	95.3	Very high	92.8	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140.6	179	-78.6	-98.4	0	0	0	111.8	E418 V429 C461 H462 L463	E418-H420 VanDerWaalsContact CD-NE2 3.32Å; E418-H420 IonicContact OE1-CD2 3.31Å; E418-H420 IonicContact OE1-CE1 3.99Å; E418-H420 IonicContact OE1-NE2 3.72Å; E418-H420 PolarHBondContact OE1-NE2 3.2Å; H420-V429 PolarHBondContact N-O 2.67Å; H420-V429 PolarHBondContact O-N 2.99Å; H420-C461 PolarHBondContact CD2-O 3.05Å; H420-C461 PolarHBondContact NE2-O 2.92Å; H420-H462 AromaticContact CE1-CD2 3.74Å; H420-L463 HydrophobicContact CB-CD1 4.03Å; H420-L463 HydrophobicContact CB-CG 4.4Å
421	F	93.8	Very high	93	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.044	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	148.9	170.4	-71.7	-78.7	0	0	0	112.4	K377 F378 F384 A386 L428 M442 L463	K377-F421 HydrophobicContact CB-CD2 4.17Å; K377-F421 HydrophobicContact CB-CE2 4.25Å; F378-F421 WeakPolarHBondContact O-CD2 3.35Å; F384-F421 HydrophobicContact CD2-CE1 4.17Å; F384-F421 HydrophobicContact CD2-CZ 4.03Å; F384-F421 HydrophobicContact CE2-CD1 4.45Å; F384-F421 AromaticContact CE2-CE1 3.66Å; F384-F421 HydrophobicContact CE2-CE1 3.66Å; F384-F421 AromaticContact CE2-CZ 3.98Å; F384-F421 HydrophobicContact CE2-CZ 3.98Å; A386-F421 HydrophobicContact CB-CE1 4.4Å; A386-F421 HydrophobicContact CB-CE2 3.79Å; A386-F421 HydrophobicContact CB-CZ 3.47Å; A386-F421 VanDerWaalsContact CB-CZ 3.47Å; F421-L428 HydrophobicContact CD1-CB 4.26Å; F421-L428 HydrophobicContact CD1-CD1 4.32Å; F421-L428 HydrophobicContact CE1-CB 4.34Å; F421-L428 HydrophobicContact CE1-CD1 3.8Å; F421-L428 HydrophobicContact CE1-CG 4.5Å; F421-L428 HydrophobicContact CZ-CD1 3.96Å; F421-M442 HydrophobicContact CE1-CE 3.85Å; F421-M442 HydrophobicContact CE1-CG 4.38Å; F421-M442 HydrophobicContact CE1-SD 3.93Å; F421-L463 WeakPolarHBondContact O-CD1 3.16Å
422	S	89.9	Confident	93.3	Very high	14 Å²	14	23.9 Å²	23.9	10%	0.098	14%	0.139	C	C	.	.			trans	-61.8	170.9	166.3	61.6	0	0	0	0	112.8	K380 E424 S425 M427	K380-S422 WeakPolarHBondContact CE-O 3.47Å; K380-S422 WeakPolarHBondContact CG-O 3.34Å; S422-E424 PolarHBondContact O-N 3.49Å; S422-S425 PolarHBondContact O-N 3.38Å; S422-S425 WeakPolarHBondContact OG-CA 3.37Å; S422-S425 PolarHBondContact OG-N 3.38Å; S422-M427 PolarHBondContact N-O 2.83Å; S422-M427 PolarHBondContact OG-N 3.38Å; S422-M427 PolarHBondContact OG-O 3.14Å
423	A	84.3	Confident	93.4	Very high	66 Å²	66	24.9 Å²	24.9	55%	0.545	15%	0.145	S	C	.	.	S	Bend	trans	-65.4	-28	174.3	0	0	0	0	0	113.1
424	E	83.7	Confident	93.4	Very high	112 Å²	112	21.4 Å²	21.4	52%	0.523	12%	0.123	S	C	.	.	S	Bend	trans	-93.3	-10.5	178	-62.4	139.7	129.5	0	0	112.1	S422 D426 R469	S422-E424 PolarHBondContact O-N 3.49Å; E424-D426 WeakPolarHBondContact CB-OD1 3.29Å; E424-D426 PolarHBondContact O-N 2.85Å; E424-R469 VanDerWaalsContact CD-NH2 3.29Å; E424-R469 IonicContact OE1-NH2 3.57Å; E424-R469 PolarHBondContact OE1-NH2 3.08Å; E424-R469 IonicContact OE2-CZ 3.61Å; E424-R469 IonicContact OE2-NE 2.65Å; E424-R469 IonicContact OE2-NH2 3.71Å; E424-R469 PolarHBondContact OE2-NH2 2.96Å
425	S	84.2	Confident	93.5	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.07	14%	0.143	C	C	.	.	S	Bend	trans	66	-10.5	-172.3	11.8	0	0	0	0	117.9	S422 M427 M442	S422-S425 PolarHBondContact O-N 3.38Å; S422-S425 WeakPolarHBondContact OG-CA 3.37Å; S422-S425 PolarHBondContact OG-N 3.38Å; S425-M427 PolarHBondContact O-N 2.92Å; S425-M442 WeakPolarHBondContact O-CG 3.25Å
426	D	89.5	Confident	93.5	Very high	57 Å²	57	27.1 Å²	27.1	31%	0.305	14%	0.141	S	C	.	.	S	Bend	trans	-60.5	-14.1	174.3	14.5	-66.2	0	0	0	114.8	E424 M442 R469	E424-D426 WeakPolarHBondContact CB-OD1 3.29Å; E424-D426 PolarHBondContact O-N 2.85Å; D426-M442 WeakPolarHBondContact O-CB 3.45Å; D426-M442 PolarHBondContact O-N 3.07Å; D426-R469 IonicContact OD2-NH2 3.48Å
427	M	91.6	Very high	93.5	Very high	29 Å²	29	27.2 Å²	27.2	14%	0.143	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134	-176.4	-53.4	-86.6	131.7	0	0	110.5	S422 S425 I439 W440 L448	S422-M427 PolarHBondContact N-O 2.83Å; S422-M427 PolarHBondContact OG-N 3.38Å; S422-M427 PolarHBondContact OG-O 3.14Å; S425-M427 PolarHBondContact O-N 2.92Å; M427-I439 HydrophobicContact CB-CG2 4.25Å; M427-I439 HydrophobicContact SD-CG2 4.11Å; M427-W440 WeakPolarHBondContact CA-O 3.35Å; M427-L448 HydrophobicContact CE-CD1 3.75Å; M427-L448 HydrophobicContact SD-CD1 3.37Å; M427-L448 WeakPolarHBondContact SD-CD1 3.46Å
428	L	94.3	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	173.7	179.4	154.7	0	0	0	109.9	A386 I394 L396 L419 F421 T430 I439 W440 M442	A386-L428 HydrophobicContact CB-CD1 3.31Å; I394-L428 HydrophobicContact CD1-CD2 3.89Å; I394-L428 HydrophobicContact CG2-CD1 4.35Å; L396-L428 HydrophobicContact CD2-CD1 4.26Å; L419-L428 HydrophobicContact CD1-CD1 4.44Å; F421-L428 HydrophobicContact CD1-CB 4.26Å; F421-L428 HydrophobicContact CD1-CD1 4.32Å; F421-L428 HydrophobicContact CE1-CB 4.34Å; F421-L428 HydrophobicContact CE1-CD1 3.8Å; F421-L428 HydrophobicContact CE1-CG 4.5Å; F421-L428 HydrophobicContact CZ-CD1 3.96Å; L428-T430 HydrophobicContact CD2-CG2 3.58Å; L428-I439 WeakPolarHBondContact O-CA 3.46Å; L428-W440 HydrophobicContact CD2-CG 4.42Å; L428-W440 PolarHBondContact N-O 3.29Å; L428-W440 PolarHBondContact O-N 3.17Å; L428-M442 HydrophobicContact CB-CG 4.16Å; L428-M442 HydrophobicContact CB-SD 3.58Å; L428-M442 VanDerWaalsContact CB-SD 3.58Å; L428-M442 HydrophobicContact CD1-SD 3.99Å; L428-M442 HydrophobicContact CG-SD 4.43Å
429	V	95.6	Very high	93.4	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	178.9	176.2	0	0	0	0	110.4	L419 H420 I437 R438 I439 L463 I471	L419-V429 CarbonylContact C-O 3.52Å; L419-V429 WeakPolarHBondContact CA-O 3.21Å; H420-V429 PolarHBondContact N-O 2.67Å; H420-V429 PolarHBondContact O-N 2.99Å; V429-I437 HydrophobicContact CG1-CG2 3.73Å; V429-R438 CarbonylContact C-O 3.46Å; V429-R438 VanDerWaalsContact CA-O 3.28Å; V429-R438 WeakPolarHBondContact CA-O 3.28Å; V429-I439 HydrophobicContact CG2-CB 4.41Å; V429-I439 HydrophobicContact CG2-CG1 4.02Å; V429-I439 HydrophobicContact CG2-CG2 4.19Å; V429-L463 HydrophobicContact CB-CD1 4.29Å; V429-L463 HydrophobicContact CB-CD2 4.49Å; V429-L463 HydrophobicContact CB-CG 4.5Å; V429-L463 HydrophobicContact CG2-CD1 4.07Å; V429-L463 HydrophobicContact CG2-CD2 3.93Å; V429-L463 HydrophobicContact CG2-CG 4.36Å; V429-I471 HydrophobicContact CG1-CD1 4.09Å; V429-I471 HydrophobicContact CG1-CG2 3.95Å; V429-I471 HydrophobicContact CG2-CD1 4.13Å
430	T	97.1	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.1	177.3	49	0	0	0	0	112.8	I394 I416 E418 L419 L428 I437 R438 W440	I394-T430 HydrophobicContact CD1-CG2 3.48Å; I394-T430 VanDerWaalsContact CD1-CG2 3.48Å; I394-T430 HydrophobicContact CG1-CG2 4.16Å; I416-T430 HydrophobicContact CG2-CG2 3.89Å; E418-T430 WeakPolarHBondContact O-CA 3.43Å; L419-T430 HydrophobicContact CB-CG2 3.87Å; L428-T430 HydrophobicContact CD2-CG2 3.58Å; T430-I437 CarbonylContact O-C 3.09Å; T430-I437 VanDerWaalsContact O-CA 3.23Å; T430-I437 WeakPolarHBondContact O-CA 3.32Å; T430-I437 WeakPolarHBondContact O-CG2 3.48Å; T430-R438 PolarHBondContact N-O 2.97Å; T430-R438 PolarHBondContact O-N 3.2Å; T430-W440 PolarHBondContact OG1-NE1 2.97Å
431	C	96.3	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	160.8	163.9	72.6	0	0	0	0	111.8	I416 M417 E418 I437 V458 C461	I416-C431 WeakPolarHBondContact CA-O 3.36Å; M417-C431 PolarHBondContact N-O 2.93Å; E418-C431 WeakPolarHBondContact CB-SG 3.37Å; E418-C431 PolarHBondContact N-SG 2.84Å; E418-C431 PolarHBondContact O-N 3.15Å; C431-I437 HydrophobicContact CB-CG1 4.24Å; C431-V458 HydrophobicContact CB-CB 3.95Å; C431-V458 HydrophobicContact CB-CG1 3.57Å; C431-V458 PolarHBondContact SG-O 2.96Å; C431-V458 VanDerWaalsContact SG-O 3.42Å; C431-C461 HydrophobicContact CB-CB 3.97Å
432	S	97.2	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.8	-169.2	60.2	0	0	0	0	114.6	H412 A415 D434 R435 T436 V458	H412-S432 WeakPolarHBondContact CE1-CB 3.38Å; H412-S432 PolarHBondContact CE1-OG 3.26Å; H412-S432 WeakPolarHBondContact ND1-CB 3.35Å; H412-S432 PolarHBondContact ND1-OG 2.9Å; H412-S432 VanDerWaalsContact ND1-OG 3.11Å; H412-S432 WeakPolarHBondContact NE2-CB 3.15Å; H412-S432 PolarHBondContact NE2-OG 2.64Å; A415-S432 CarbonylContact O-C 3.59Å; A415-S432 WeakPolarHBondContact O-CA 3.29Å; A415-S432 WeakPolarHBondContact O-CB 3.24Å; S432-D434 PolarHBondContact O-N 2.87Å; S432-D434 WeakPolarHBondContact OG-CB 3.29Å; S432-R435 PolarHBondContact O-N 3.03Å; S432-T436 PolarHBondContact N-O 3.34Å; S432-T436 PolarHBondContact OG-O 2.9Å; S432-V458 PolarHBondContact O-N 3.07Å
433	T	96.4	Very high	93	Very high	30 Å²	30	34.3 Å²	34.3	18%	0.184	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.1	169.1	64.5	0	0	0	0	113.4	G414 A415 M417 R435 F457	G414-T433 WeakPolarHBondContact CA-OG1 3.37Å; A415-T433 HydrophobicContact CB-CG2 4.26Å; A415-T433 PolarHBondContact N-OG1 2.86Å; A415-T433 PolarHBondContact O-N 3.08Å; M417-T433 HydrophobicContact CE-CG2 3.55Å; M417-T433 HydrophobicContact CG-CG2 4.22Å; T433-R435 PolarHBondContact O-N 3.38Å; T433-F457 HydrophobicContact CG2-CB 4.26Å; T433-F457 HydrophobicContact CG2-CD1 4.04Å; T433-F457 HydrophobicContact CG2-CD2 4.33Å; T433-F457 HydrophobicContact CG2-CE1 4.44Å; T433-F457 HydrophobicContact CG2-CG 3.97Å; T433-F457 VanDerWaalsContact O-CD1 3.26Å; T433-F457 WeakPolarHBondContact O-CD1 3.31Å
434	D	96	Very high	93.3	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-7.7	166.5	-67.6	-25.7	0	0	0	113.4	H412 T413 G414 S432 T436 R438	H412-D434 WeakPolarHBondContact CA-OD2 3.49Å; H412-D434 VanDerWaalsContact CE1-CB 3.46Å; H412-D434 WeakPolarHBondContact CE1-CB 3.36Å; H412-D434 IonicContact CE1-OD1 2.05Å; H412-D434 IonicContact CE1-OD2 2.68Å; H412-D434 PolarHBondContact CE1-OD2 2.82Å; H412-D434 IonicContact CG-OD2 2.7Å; H412-D434 IonicContact ND1-OD2 3.88Å; H412-D434 PolarHBondContact ND1-OD2 3.04Å; T413-D434 WeakPolarHBondContact CA-OD1 3.21Å; T413-D434 WeakPolarHBondContact CB-OD1 3.35Å; T413-D434 PolarHBondContact N-OD1 2.6Å; T413-D434 PolarHBondContact N-OD2 2.8Å; T413-D434 PolarHBondContact OG1-OD1 3.36Å; T413-D434 PolarHBondContact OG1-OD2 3.26Å; G414-D434 PolarHBondContact N-OD1 3.31Å; S432-D434 PolarHBondContact O-N 2.87Å; S432-D434 WeakPolarHBondContact OG-CB 3.29Å; D434-T436 HydrophobicContact CB-CG2 4.28Å; D434-T436 WeakPolarHBondContact CB-OG1 3.35Å; D434-T436 PolarHBondContact O-N 3.11Å; D434-R438 IonicContact OD2-CZ 3.94Å; D434-R438 IonicContact OD2-NH2 2.96Å; D434-R438 PolarHBondContact OD2-NH2 3.37Å
435	R	96.7	Very high	93.5	Very high	130 Å²	130	31.2 Å²	31.2	49%	0.491	16%	0.16	S	C	.	.	S	Bend	trans	66.4	23	-170.2	-35.4	174.1	-172.9	-173.2	10.5	111.9	S432 T433 A455 S456	S432-R435 PolarHBondContact O-N 3.03Å; T433-R435 PolarHBondContact O-N 3.38Å; R435-A455 VanDerWaalsContact CD-O 3.29Å; R435-A455 WeakPolarHBondContact CD-O 3.09Å; R435-A455 PolarHBondContact NH1-O 3.08Å; R435-S456 VanDerWaalsContact CB-O 3.32Å; R435-S456 WeakPolarHBondContact CB-O 3.44Å; R435-S456 WeakPolarHBondContact CG-O 3.36Å
436	T	95.9	Very high	93.8	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.2	-176.8	69.1	0	0	0	0	112.6	H412 S432 D434 K450 F451 K452	H412-T436 PolarHBondContact NE2-O 3.06Å; S432-T436 PolarHBondContact N-O 3.34Å; S432-T436 PolarHBondContact OG-O 2.9Å; D434-T436 HydrophobicContact CB-CG2 4.28Å; D434-T436 WeakPolarHBondContact CB-OG1 3.35Å; D434-T436 PolarHBondContact O-N 3.11Å; T436-K450 HydrophobicContact CG2-CG 4.36Å; T436-F451 VanDerWaalsContact CA-O 3.31Å; T436-F451 WeakPolarHBondContact CA-O 3.49Å; T436-F451 WeakPolarHBondContact CB-O 3.27Å; T436-F451 WeakPolarHBondContact CG2-O 3.41Å; T436-K452 HydrophobicContact CG2-CG 3.88Å
437	I	96.3	Very high	94	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.1	171.3	-59.1	136.8	0	0	0	107	V429 T430 C431 F451 V458 S473 W483	V429-I437 HydrophobicContact CG1-CG2 3.73Å; T430-I437 CarbonylContact O-C 3.09Å; T430-I437 VanDerWaalsContact O-CA 3.23Å; T430-I437 WeakPolarHBondContact O-CA 3.32Å; T430-I437 WeakPolarHBondContact O-CG2 3.48Å; C431-I437 HydrophobicContact CB-CG1 4.24Å; I437-F451 HydrophobicContact CB-CB 4.31Å; I437-F451 HydrophobicContact CB-CD2 4.25Å; I437-F451 HydrophobicContact CG2-CD2 4.25Å; I437-F451 PolarHBondContact N-O 3.29Å; I437-F451 PolarHBondContact O-N 3.38Å; I437-V458 HydrophobicContact CD1-CG1 4.31Å; I437-V458 HydrophobicContact CG1-CG1 4.09Å; I437-S473 VanDerWaalsContact CD1-OG 3.26Å; I437-S473 WeakPolarHBondContact CD1-OG 3.46Å; I437-W483 HydrophobicContact CD1-CZ2 4.15Å
438	R	95.8	Very high	94	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.9	-179.8	-61.8	-175.9	-161.1	-156	15.2	111.3	G411 H412 V429 T430 D434 W440 R449 K450	G411-R438 PolarHBondContact O-NH1 3.24Å; G411-R438 PolarHBondContact O-NH2 3.48Å; H412-R438 VanDerWaalsContact CA-NH2 3.34Å; H412-R438 PolarHBondContact ND1-NE 3.41Å; H412-R438 WeakPolarHBondContact NE2-CG 3.41Å; V429-R438 CarbonylContact C-O 3.46Å; V429-R438 VanDerWaalsContact CA-O 3.28Å; V429-R438 WeakPolarHBondContact CA-O 3.28Å; T430-R438 PolarHBondContact N-O 2.97Å; T430-R438 PolarHBondContact O-N 3.2Å; D434-R438 IonicContact OD2-CZ 3.94Å; D434-R438 IonicContact OD2-NH2 2.96Å; D434-R438 PolarHBondContact OD2-NH2 3.37Å; R438-W440 HydrophobicContact CB-CZ2 4.43Å; R438-R449 CarbonylContact C-O 3.45Å; R438-R449 VanDerWaalsContact CA-O 3.24Å; R438-R449 WeakPolarHBondContact CA-O 3.28Å; R438-K450 HydrophobicContact CG-CB 4.22Å; R438-K450 HydrophobicContact CG-CG 4.09Å
439	I	95	Very high	93.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.5	165.7	-46	179.3	0	0	0	106.9	M427 L428 V429 C447 L448 R449 F451 I471 Q485	M427-I439 HydrophobicContact CB-CG2 4.25Å; M427-I439 HydrophobicContact SD-CG2 4.11Å; L428-I439 WeakPolarHBondContact O-CA 3.46Å; V429-I439 HydrophobicContact CG2-CB 4.41Å; V429-I439 HydrophobicContact CG2-CG1 4.02Å; V429-I439 HydrophobicContact CG2-CG2 4.19Å; I439-C447 CarbonylContact O-C 3.56Å; I439-L448 HydrophobicContact CG2-CD1 4.47Å; I439-L448 PolarHBondContact O-N 3.18Å; I439-R449 HydrophobicContact CB-CB 4.32Å; I439-R449 HydrophobicContact CD1-CB 4.14Å; I439-R449 HydrophobicContact CD1-CG 4.41Å; I439-R449 HydrophobicContact CG1-CB 4.17Å; I439-R449 PolarHBondContact N-O 2.74Å; I439-R449 PolarHBondContact O-N 2.7Å; I439-F451 HydrophobicContact CD1-CE2 3.84Å; I439-F451 HydrophobicContact CD1-CZ 4.19Å; I439-F451 HydrophobicContact CG1-CE2 3.91Å; I439-I471 HydrophobicContact CD1-CD1 3.96Å; I439-I471 HydrophobicContact CG1-CD1 4.03Å; I439-Q485 HydrophobicContact CD1-CB 4.08Å; I439-Q485 HydrophobicContact CD1-CG 3.65Å
440	W	95.2	Very high	93.9	Very high	8 Å²	8	44.8 Å²	44.8	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139	172.9	-53.5	85.3	0	0	0	108.8	I394 L409 S410 H412 M427 L428 T430 R438 V446 C447	I394-W440 HydrophobicContact CD1-CD2 4.21Å; I394-W440 HydrophobicContact CD1-CG 4.26Å; I394-W440 HydrophobicContact CD1-CZ2 4.23Å; L409-W440 HydrophobicContact CB-CD2 4.37Å; L409-W440 HydrophobicContact CB-CE3 3.96Å; L409-W440 HydrophobicContact CB-CZ3 4.07Å; L409-W440 HydrophobicContact CD1-CB 3.89Å; L409-W440 HydrophobicContact CD1-CD2 4.09Å; L409-W440 HydrophobicContact CD1-CE3 4.16Å; L409-W440 HydrophobicContact CD1-CG 3.97Å; S410-W440 WeakPolarHBondContact O-CH2 3.4Å; H412-W440 AromaticContact CD2-CZ2 3.83Å; M427-W440 WeakPolarHBondContact CA-O 3.35Å; L428-W440 HydrophobicContact CD2-CG 4.42Å; L428-W440 PolarHBondContact N-O 3.29Å; L428-W440 PolarHBondContact O-N 3.17Å; T430-W440 PolarHBondContact OG1-NE1 2.97Å; R438-W440 HydrophobicContact CB-CZ2 4.43Å; W440-V446 WeakPolarHBondContact CA-O 2.92Å; W440-C447 HydrophobicContact CD2-CB 4.25Å; W440-C447 HydrophobicContact CE3-CB 3.76Å; W440-C447 HydrophobicContact CH2-CB 4.04Å; W440-C447 HydrophobicContact CZ2-CB 4.5Å; W440-C447 HydrophobicContact CZ3-CB 3.66Å
441	D	92.7	Very high	93.7	Very high	20 Å²	20	45 Å²	45	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.1	163.9	179.2	5.4	0	0	0	109	E443 T444 G445 V446 L448	D441-E443 PolarHBondContact OD1-N 3.05Å; D441-T444 WeakPolarHBondContact CB-OG1 3.1Å; D441-T444 VanDerWaalsContact CG-OG1 3.26Å; D441-T444 WeakPolarHBondContact OD2-CB 3.41Å; D441-T444 VanDerWaalsContact OD2-CG2 3.22Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.25Å; D441-T444 PolarHBondContact OD2-N 2.78Å; D441-T444 PolarHBondContact OD2-OG1 3.21Å; D441-G445 WeakPolarHBondContact O-CA 3.28Å; D441-G445 PolarHBondContact O-N 3.05Å; D441-V446 PolarHBondContact N-O 3.45Å; D441-L448 HydrophobicContact CB-CD1 3.87Å; D441-L448 HydrophobicContact CB-CD2 4.07Å; D441-L448 HydrophobicContact CB-CG 3.81Å
442	M	90.3	Very high	93.6	Very high	28 Å²	28	52 Å²	52	14%	0.138	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.5	178.9	-68.9	-63.9	-55.4	0	0	113.2	F384 L396 F421 S425 D426 L428	F384-M442 HydrophobicContact CD2-CE 4.1Å; F384-M442 HydrophobicContact CE2-CE 3.74Å; L396-M442 HydrophobicContact CD1-CE 3.46Å; L396-M442 VanDerWaalsContact CD1-CE 3.46Å; L396-M442 HydrophobicContact CD1-SD 4.13Å; L396-M442 HydrophobicContact CD2-CE 3.91Å; L396-M442 HydrophobicContact CD2-SD 4.42Å; L396-M442 HydrophobicContact CG-CE 4.29Å; F421-M442 HydrophobicContact CE1-CE 3.85Å; F421-M442 HydrophobicContact CE1-CG 4.38Å; F421-M442 HydrophobicContact CE1-SD 3.93Å; S425-M442 WeakPolarHBondContact O-CG 3.25Å; D426-M442 WeakPolarHBondContact O-CB 3.45Å; D426-M442 PolarHBondContact O-N 3.07Å; L428-M442 HydrophobicContact CB-CG 4.16Å; L428-M442 HydrophobicContact CB-SD 3.58Å; L428-M442 VanDerWaalsContact CB-SD 3.58Å; L428-M442 HydrophobicContact CD1-SD 3.99Å; L428-M442 HydrophobicContact CG-SD 4.43Å
443	E	88.5	Confident	93.3	Very high	176 Å²	176	53.5 Å²	53.5	82%	0.822	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-47.1	176.7	-63.5	-167.6	151.1	0	0	111.5	D441	D441-E443 PolarHBondContact OD1-N 3.05Å
444	T	90.2	Very high	93.2	Very high	87 Å²	87	52.7 Å²	52.7	53%	0.534	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-14.1	-177.5	67.2	0	0	0	0	114.5	D441 V446	D441-T444 WeakPolarHBondContact CB-OG1 3.1Å; D441-T444 VanDerWaalsContact CG-OG1 3.26Å; D441-T444 WeakPolarHBondContact OD2-CB 3.41Å; D441-T444 VanDerWaalsContact OD2-CG2 3.22Å; D441-T444 WeakPolarHBondContact OD2-CG2 3.25Å; D441-T444 PolarHBondContact OD2-N 2.78Å; D441-T444 PolarHBondContact OD2-OG1 3.21Å; T444-V446 PolarHBondContact O-N 2.85Å; T444-V446 WeakPolarHBondContact OG1-CB 3.45Å; T444-V446 WeakPolarHBondContact OG1-CG2 3.26Å; T444-V446 PolarHBondContact OG1-N 3.43Å
445	G	87.8	Confident	93.2	Very high	25 Å²	25	54.6 Å²	54.6	26%	0.258	29%	0.288	S	S	.	.			trans	70.2	8.4	-172.8	0	0	0	0	0	114.6	D441	D441-G445 WeakPolarHBondContact O-CA 3.28Å; D441-G445 PolarHBondContact O-N 3.05Å
446	V	92.4	Very high	93.1	Very high	84 Å²	84	50 Å²	50	51%	0.509	28%	0.275	S	S	.	.			trans	-88.2	140.2	-173.5	179.8	0	0	0	0	111.9	W440 D441 T444 L448	W440-V446 WeakPolarHBondContact CA-O 2.92Å; D441-V446 PolarHBondContact N-O 3.45Å; T444-V446 PolarHBondContact O-N 2.85Å; T444-V446 WeakPolarHBondContact OG1-CB 3.45Å; T444-V446 WeakPolarHBondContact OG1-CG2 3.26Å; T444-V446 PolarHBondContact OG1-N 3.43Å; V446-L448 PolarHBondContact O-N 2.71Å
447	C	92.6	Very high	93.1	Very high	42 Å²	42	53.9 Å²	53.9	28%	0.284	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	89.1	170.9	173.5	0	0	0	0	111.2	I439 W440 R449	I439-C447 CarbonylContact O-C 3.56Å; W440-C447 HydrophobicContact CD2-CB 4.25Å; W440-C447 HydrophobicContact CE3-CB 3.76Å; W440-C447 HydrophobicContact CH2-CB 4.04Å; W440-C447 HydrophobicContact CZ2-CB 4.5Å; W440-C447 HydrophobicContact CZ3-CB 3.66Å; C447-R449 PolarHBondContact O-N 3.14Å
448	L	91.7	Very high	93.2	Very high	74 Å²	74	53.9 Å²	53.9	39%	0.387	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	-41.1	179.1	-65.4	175.5	0	0	0	114.2	M427 I439 D441 V446	M427-L448 HydrophobicContact CE-CD1 3.75Å; M427-L448 HydrophobicContact SD-CD1 3.37Å; M427-L448 WeakPolarHBondContact SD-CD1 3.46Å; I439-L448 HydrophobicContact CG2-CD1 4.47Å; I439-L448 PolarHBondContact O-N 3.18Å; D441-L448 HydrophobicContact CB-CD1 3.87Å; D441-L448 HydrophobicContact CB-CD2 4.07Å; D441-L448 HydrophobicContact CB-CG 3.81Å; V446-L448 PolarHBondContact O-N 2.71Å
449	R	92.6	Very high	93.2	Very high	94 Å²	94	53.7 Å²	53.7	36%	0.355	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.5	-176.7	-70.1	-62.2	-176.2	99.1	-3.3	111.1	R438 I439 C447 F451 Q485 R486 K487	R438-R449 CarbonylContact C-O 3.45Å; R438-R449 VanDerWaalsContact CA-O 3.24Å; R438-R449 WeakPolarHBondContact CA-O 3.28Å; I439-R449 HydrophobicContact CB-CB 4.32Å; I439-R449 HydrophobicContact CD1-CB 4.14Å; I439-R449 HydrophobicContact CD1-CG 4.41Å; I439-R449 HydrophobicContact CG1-CB 4.17Å; I439-R449 PolarHBondContact N-O 2.74Å; I439-R449 PolarHBondContact O-N 2.7Å; C447-R449 PolarHBondContact O-N 3.14Å; R449-F451 HydrophobicContact CB-CE2 4.35Å; R449-F451 HydrophobicContact CB-CZ 4.43Å; R449-Q485 PolarHBondContact NH1-O 2.96Å; R449-Q485 VanDerWaalsContact NH1-O 3.09Å; R449-R486 PolarHBondContact NH1-O 3.11Å; R449-R486 PolarHBondContact NH2-O 2.81Å; R449-K487 PolarHBondContact NH1-O 3.36Å
450	K	94.2	Very high	93.2	Very high	90 Å²	90	53.6 Å²	53.6	39%	0.391	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	100.7	172.3	179.8	170.5	-179.4	169.4	0	109.4	T436 R438	T436-K450 HydrophobicContact CG2-CG 4.36Å; R438-K450 HydrophobicContact CG-CB 4.22Å; R438-K450 HydrophobicContact CG-CG 4.09Å
451	F	94.7	Very high	93.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.9	175.2	-60.9	-74	0	0	0	110.3	T436 I437 I439 R449 I471 W483 R488	T436-F451 VanDerWaalsContact CA-O 3.31Å; T436-F451 WeakPolarHBondContact CA-O 3.49Å; T436-F451 WeakPolarHBondContact CB-O 3.27Å; T436-F451 WeakPolarHBondContact CG2-O 3.41Å; I437-F451 HydrophobicContact CB-CB 4.31Å; I437-F451 HydrophobicContact CB-CD2 4.25Å; I437-F451 HydrophobicContact CG2-CD2 4.25Å; I437-F451 PolarHBondContact N-O 3.29Å; I437-F451 PolarHBondContact O-N 3.38Å; I439-F451 HydrophobicContact CD1-CE2 3.84Å; I439-F451 HydrophobicContact CD1-CZ 4.19Å; I439-F451 HydrophobicContact CG1-CE2 3.91Å; R449-F451 HydrophobicContact CB-CE2 4.35Å; R449-F451 HydrophobicContact CB-CZ 4.43Å; F451-I471 HydrophobicContact CD2-CD1 4.45Å; F451-I471 HydrophobicContact CE2-CD1 3.7Å; F451-I471 HydrophobicContact CZ-CD1 4.38Å; F451-W483 HydrophobicContact CB-CD2 4.1Å; F451-W483 HydrophobicContact CB-CE3 3.79Å; F451-W483 HydrophobicContact CB-CH2 4.21Å; F451-W483 HydrophobicContact CB-CZ3 3.84Å; F451-W483 HydrophobicContact CD1-CB 4.34Å; F451-W483 HydrophobicContact CD1-CD2 4.03Å; F451-W483 AromaticContact CD1-CE3 3.4Å; F451-W483 HydrophobicContact CD1-CE3 3.4Å; F451-W483 HydrophobicContact CD1-CG 4.43Å; F451-W483 HydrophobicContact CD1-CZ3 4.02Å; F451-W483 HydrophobicContact CE1-CB 4.15Å; F451-W483 HydrophobicContact CE1-CE3 4.18Å; F451-W483 HydrophobicContact CE2-CB 4.5Å; F451-W483 HydrophobicContact CG-CD2 4.05Å; F451-W483 AromaticContact CG-CE3 3.77Å; F451-W483 HydrophobicContact CG-CE3 3.77Å; F451-W483 HydrophobicContact CG-CG 4.41Å; F451-W483 HydrophobicContact CG-CZ3 4.29Å; F451-W483 HydrophobicContact CZ-CB 4.24Å; F451-R488 WeakPolarHBondContact CD1-O 3.45Å
452	K	92.9	Very high	93.4	Very high	147 Å²	147	53 Å²	53	64%	0.639	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.1	172.3	-68.8	-174	175.5	-172.4	0	107.8	T436	T436-K452 HydrophobicContact CG2-CG 3.88Å
453	G	90.8	Very high	93.6	Very high	33 Å²	33	52.9 Å²	52.9	34%	0.34	29%	0.288	S	S	.	.			trans	153.9	-6.5	175.1	0	0	0	0	0	115.5	K481	G453-K481 PolarHBondContact O-NZ 3.31Å
454	H	95.4	Very high	93.6	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.06	26%	0.255	C	S	.	.			trans	-78.9	144.4	159.4	-77.7	-70.2	0	0	0	110.2	V458 S473 S475 D477 T479	H454-V458 HydrophobicContact CB-CG2 3.83Å; H454-S473 PolarHBondContact NE2-OG 2.84Å; H454-S475 PolarHBondContact CE1-OG 2.76Å; H454-S475 WeakPolarHBondContact ND1-CB 3.36Å; H454-S475 PolarHBondContact ND1-OG 3.34Å; H454-D477 WeakPolarHBondContact CA-OD2 3.29Å; H454-D477 WeakPolarHBondContact CB-OD2 3.43Å; H454-D477 IonicContact CG-OD2 3.9Å; H454-D477 IonicContact ND1-OD1 3.62Å; H454-D477 IonicContact ND1-OD2 2.92Å; H454-D477 PolarHBondContact ND1-OD2 3.36Å; H454-T479 PolarHBondContact CE1-O 2.81Å; H454-T479 PolarHBondContact ND1-OG1 3.46Å
455	A	94.6	Very high	93.5	Very high	68 Å²	68	44.6 Å²	44.6	56%	0.562	24%	0.243	S	C	*	.	S	Bend	trans	-90.6	-20.3	179.4	0	0	0	0	0	112.7	R435 D477	R435-A455 VanDerWaalsContact CD-O 3.29Å; R435-A455 WeakPolarHBondContact CD-O 3.09Å; R435-A455 PolarHBondContact NH1-O 3.08Å; A455-D477 HydrophobicContact CB-CB 3.95Å; A455-D477 PolarHBondContact N-OD2 3.17Å
456	S	96.1	Very high	93.1	Very high	33 Å²	33	51.4 Å²	51.4	23%	0.231	26%	0.261	C	S	.	.	S	Bend	trans	-132.4	-172	178.7	-158.2	0	0	0	0	112	R435 D476	R435-S456 VanDerWaalsContact CB-O 3.32Å; R435-S456 WeakPolarHBondContact CB-O 3.44Å; R435-S456 WeakPolarHBondContact CG-O 3.36Å; S456-D476 WeakPolarHBondContact OG-CB 3.1Å
457	F	95.8	Very high	92.5	Very high	89 Å²	89	50.7 Å²	50.7	39%	0.39	27%	0.271	S	S	.	.			trans	-58.6	136.2	-177.8	-55.3	-30.3	0	0	0	112	T433 S475 D476	T433-F457 HydrophobicContact CG2-CB 4.26Å; T433-F457 HydrophobicContact CG2-CD1 4.04Å; T433-F457 HydrophobicContact CG2-CD2 4.33Å; T433-F457 HydrophobicContact CG2-CE1 4.44Å; T433-F457 HydrophobicContact CG2-CG 3.97Å; T433-F457 VanDerWaalsContact O-CD1 3.26Å; T433-F457 WeakPolarHBondContact O-CD1 3.31Å; F457-S475 CarbonylContact O-C 3.55Å; F457-S475 WeakPolarHBondContact O-CA 3.4Å; F457-S475 WeakPolarHBondContact O-CB 3.22Å; F457-D476 HydrophobicContact CB-CB 4.44Å; F457-D476 WeakPolarHBondContact CD2-OD2 3.29Å; F457-D476 PolarHBondContact O-N 3.01Å
458	V	97.5	Very high	91.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.2	174.8	-170.2	0	0	0	0	107.7	C431 S432 I437 H454 G474	C431-V458 HydrophobicContact CB-CB 3.95Å; C431-V458 HydrophobicContact CB-CG1 3.57Å; C431-V458 PolarHBondContact SG-O 2.96Å; C431-V458 VanDerWaalsContact SG-O 3.42Å; S432-V458 PolarHBondContact O-N 3.07Å; I437-V458 HydrophobicContact CD1-CG1 4.31Å; I437-V458 HydrophobicContact CG1-CG1 4.09Å; H454-V458 HydrophobicContact CB-CG2 3.83Å; V458-G474 CarbonylContact C-O 3.59Å; V458-G474 WeakPolarHBondContact CG1-O 3.17Å
459	N	96.6	Very high	91.7	Very high	10 Å²	10	54 Å²	54	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-30.9	-172.3	-66.4	-33.9	0	0	0	112.7	G474 D476 V500 L592 R594	N459-G474 PolarHBondContact N-O 2.82Å; N459-D476 PolarHBondContact ND2-OD1 3.33Å; N459-V500 PolarHBondContact ND2-O 3.43Å; N459-L592 HydrophobicContact CB-CD1 3.84Å; N459-R594 PolarHBondContact O-NH2 3.34Å
460	S	95.8	Very high	91.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153	-175.4	41.2	0	0	0	0	112.6	E418 S473 G474 T501 A502 V503	E418-S460 WeakPolarHBondContact OE2-CA 3.39Å; E418-S460 WeakPolarHBondContact OE2-CB 3.22Å; S460-S473 VanDerWaalsContact O-CA 3.3Å; S460-S473 WeakPolarHBondContact O-CA 3.03Å; S460-G474 PolarHBondContact N-O 3.49Å; S460-G474 PolarHBondContact O-N 3.08Å; S460-T501 WeakPolarHBondContact CB-O 3.5Å; S460-T501 VanDerWaalsContact OG-C 3.3Å; S460-T501 PolarHBondContact OG-O 2.9Å; S460-A502 VanDerWaalsContact OG-CA 3.22Å; S460-A502 WeakPolarHBondContact OG-CA 3.29Å; S460-A502 PolarHBondContact OG-N 2.9Å; S460-V503 PolarHBondContact OG-N 3.18Å
461	C	95.7	Very high	91.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.6	168.3	63.5	0	0	0	0	111.1	E418 H420 C431 I471 C472	E418-C461 PolarHBondContact OE2-N 2.76Å; H420-C461 PolarHBondContact CD2-O 3.05Å; H420-C461 PolarHBondContact NE2-O 2.92Å; C431-C461 HydrophobicContact CB-CB 3.97Å; C461-I471 HydrophobicContact CB-CG2 4.43Å; C461-C472 CarbonylContact C-O 3.52Å; C461-C472 WeakPolarHBondContact CA-O 3.47Å; C461-C472 WeakPolarHBondContact CB-O 3.43Å
462	H	95.5	Very high	91.8	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.5	179.5	-173	-77.1	0	0	0	111	H420 C472 V503	H420-H462 AromaticContact CE1-CD2 3.74Å; H462-C472 PolarHBondContact N-O 3.22Å; H462-C472 PolarHBondContact O-N 3.49Å; H462-C472 PolarHBondContact O-SG 3.09Å; H462-V503 WeakPolarHBondContact CB-O 3.31Å
463	L	93.4	Very high	92	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	150.5	-176.4	-77	169.9	0	0	0	113.1	H420 F421 V429 R465 I471	H420-L463 HydrophobicContact CB-CD1 4.03Å; H420-L463 HydrophobicContact CB-CG 4.4Å; F421-L463 WeakPolarHBondContact O-CD1 3.16Å; V429-L463 HydrophobicContact CB-CD1 4.29Å; V429-L463 HydrophobicContact CB-CD2 4.49Å; V429-L463 HydrophobicContact CB-CG 4.5Å; V429-L463 HydrophobicContact CG2-CD1 4.07Å; V429-L463 HydrophobicContact CG2-CD2 3.93Å; V429-L463 HydrophobicContact CG2-CG 4.36Å; L463-R465 PolarHBondContact O-N 3.32Å; L463-I471 HydrophobicContact CD2-CB 4.41Å; L463-I471 HydrophobicContact CD2-CD1 4.49Å; L463-I471 HydrophobicContact CD2-CG1 3.86Å; L463-I471 HydrophobicContact CD2-CG2 4.27Å
464	A	90.5	Very high	92.3	Very high	17 Å²	17	37.6 Å²	37.6	14%	0.14	20%	0.204	C	C	.	.			trans	-60.1	126.3	163.6	0	0	0	0	0	110.6	P468 L470 F505 T509	A464-P468 VanDerWaalsContact CB-O 3.23Å; A464-P468 WeakPolarHBondContact CB-O 3.37Å; A464-L470 HydrophobicContact CB-CB 4.14Å; A464-L470 WeakPolarHBondContact CB-O 3.27Å; A464-L470 PolarHBondContact N-O 2.99Å; A464-F505 HydrophobicContact CB-CE2 4.49Å; A464-T509 HydrophobicContact CB-CG2 3.57Å
465	R	86.3	Confident	92.4	Very high	73 Å²	73	37 Å²	37	28%	0.275	20%	0.202	S	C	.	.	S	Bend	trans	-81.7	-27.1	174.8	-59.9	-155	-59	-155.5	7.4	113.2	L463 D507 L547 S548 P549	L463-R465 PolarHBondContact O-N 3.32Å; R465-D507 IonicContact CZ-OD1 3.8Å; R465-D507 IonicContact NE-OD1 2.68Å; R465-D507 PolarHBondContact NE-OD1 3.39Å; R465-D507 IonicContact NH2-OD1 2.7Å; R465-D507 PolarHBondContact NH2-OD1 3.29Å; R465-L547 HydrophobicContact CG-CD1 4.48Å; R465-L547 VanDerWaalsContact NH1-CB 3.35Å; R465-S548 VanDerWaalsContact CZ-O 3.3Å; R465-S548 PolarHBondContact NH1-O 3.21Å; R465-S548 PolarHBondContact NH2-O 3.35Å; R465-P549 PolarHBondContact NH2-O 3Å
466	R	80.8	Confident	92.4	Very high	167 Å²	167	35.5 Å²	35.5	63%	0.63	18%	0.184	S	C	*	.	S	Bend	trans	-142.7	157.5	-177.4	-69.5	177.8	165.7	156.9	-7.9	109.6	D507 T509	R466-D507 WeakPolarHBondContact CD-OD2 3.43Å; R466-D507 IonicContact CZ-OD2 2.74Å; R466-D507 IonicContact NE-OD2 3.74Å; R466-D507 IonicContact NH1-OD2 3.12Å; R466-D507 PolarHBondContact NH1-OD2 3.08Å; R466-T509 VanDerWaalsContact O-CG2 3.22Å; R466-T509 WeakPolarHBondContact O-CG2 3.32Å
467	G	79.1	Confident	92.4	Very high	70 Å²	70	36 Å²	36	72%	0.722	19%	0.185	S	C	*	.	S	Bend	trans	78.8	-144.6	177.3	0	0	0	0	0	113.4
468	P	80.6	Confident	92.3	Very high	76 Å²	76	32.2 Å²	32.2	49%	0.494	17%	0.17	S	C	.	.	S	Bend	trans	-65.6	146.9	-177.8	26.9	-33.1	0	0	0	112	A464 L470	A464-P468 VanDerWaalsContact CB-O 3.23Å; A464-P468 WeakPolarHBondContact CB-O 3.37Å; P468-L470 HydrophobicContact CB-CG 4.09Å; P468-L470 HydrophobicContact CG-CD1 3.83Å; P468-L470 HydrophobicContact CG-CG 3.87Å; P468-L470 PolarHBondContact O-N 2.72Å
469	R	87.6	Confident	92.3	Very high	109 Å²	109	33.1 Å²	33.1	41%	0.411	18%	0.176	S	C	.	.			trans	-70.9	73.4	176.4	-69.4	-172.6	177.3	178.2	-3.6	111.2	E424 D426 Q485	E424-R469 VanDerWaalsContact CD-NH2 3.29Å; E424-R469 IonicContact OE1-NH2 3.57Å; E424-R469 PolarHBondContact OE1-NH2 3.08Å; E424-R469 IonicContact OE2-CZ 3.61Å; E424-R469 IonicContact OE2-NE 2.65Å; E424-R469 IonicContact OE2-NH2 3.71Å; E424-R469 PolarHBondContact OE2-NH2 2.96Å; D426-R469 IonicContact OD2-NH2 3.48Å; R469-Q485 HydrophobicContact CB-CB 4.31Å; R469-Q485 PolarHBondContact O-N 2.76Å
470	L	93.3	Very high	92.3	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.105	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	152.3	177.4	-60.5	179.3	0	0	0	112	A464 P468 W483 D484 I491 F505	A464-L470 HydrophobicContact CB-CB 4.14Å; A464-L470 WeakPolarHBondContact CB-O 3.27Å; A464-L470 PolarHBondContact N-O 2.99Å; P468-L470 HydrophobicContact CB-CG 4.09Å; P468-L470 HydrophobicContact CG-CD1 3.83Å; P468-L470 HydrophobicContact CG-CG 3.87Å; P468-L470 PolarHBondContact O-N 2.72Å; L470-W483 VanDerWaalsContact CA-O 3.31Å; L470-W483 WeakPolarHBondContact CA-O 3.38Å; L470-D484 HydrophobicContact CD2-CB 4.39Å; L470-I491 HydrophobicContact CD2-CD1 3.44Å; L470-I491 VanDerWaalsContact CD2-CD1 3.44Å; L470-F505 HydrophobicContact CB-CE2 4.23Å; L470-F505 HydrophobicContact CB-CZ 3.77Å
471	I	94.9	Very high	92.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.8	174.8	-36.5	-179.5	0	0	0	107.8	V429 I439 F451 C461 L463 V482 W483	V429-I471 HydrophobicContact CG1-CD1 4.09Å; V429-I471 HydrophobicContact CG1-CG2 3.95Å; V429-I471 HydrophobicContact CG2-CD1 4.13Å; I439-I471 HydrophobicContact CD1-CD1 3.96Å; I439-I471 HydrophobicContact CG1-CD1 4.03Å; F451-I471 HydrophobicContact CD2-CD1 4.45Å; F451-I471 HydrophobicContact CE2-CD1 3.7Å; F451-I471 HydrophobicContact CZ-CD1 4.38Å; C461-I471 HydrophobicContact CB-CG2 4.43Å; L463-I471 HydrophobicContact CD2-CB 4.41Å; L463-I471 HydrophobicContact CD2-CD1 4.49Å; L463-I471 HydrophobicContact CD2-CG1 3.86Å; L463-I471 HydrophobicContact CD2-CG2 4.27Å; I471-V482 CarbonylContact O-C 3.57Å; I471-V482 WeakPolarHBondContact O-CA 3.36Å; I471-W483 HydrophobicContact CB-CB 4.32Å; I471-W483 PolarHBondContact N-O 2.78Å; I471-W483 PolarHBondContact O-N 2.91Å
472	C	95.6	Very high	92.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	151	166	59	0	0	0	0	110	C461 H462 K481 V482 V503 F505 V512	C461-C472 CarbonylContact C-O 3.52Å; C461-C472 WeakPolarHBondContact CA-O 3.47Å; C461-C472 WeakPolarHBondContact CB-O 3.43Å; H462-C472 PolarHBondContact N-O 3.22Å; H462-C472 PolarHBondContact O-N 3.49Å; H462-C472 PolarHBondContact O-SG 3.09Å; C472-K481 CarbonylContact C-O 3.28Å; C472-K481 WeakPolarHBondContact CA-O 3.5Å; C472-V482 HydrophobicContact CB-CG2 4.49Å; C472-V503 HydrophobicContact CB-CG1 3.97Å; C472-F505 HydrophobicContact CB-CD1 4.49Å; C472-F505 HydrophobicContact CB-CD2 4.29Å; C472-F505 HydrophobicContact CB-CE1 3.98Å; C472-F505 HydrophobicContact CB-CE2 3.77Å; C472-F505 HydrophobicContact CB-CZ 3.59Å; C472-F505 VanDerWaalsContact N-CE2 3.3Å; C472-F505 VanDerWaalsContact SG-CD2 3.51Å; C472-F505 VanDerWaalsContact SG-CE2 3.53Å; C472-V512 HydrophobicContact CB-CG1 4.25Å; C472-V512 HydrophobicContact CB-CG2 4.41Å
473	S	96.9	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.5	-179.4	57	0	0	0	0	112.5	I437 H454 S460 I480 K481 W483	I437-S473 VanDerWaalsContact CD1-OG 3.26Å; I437-S473 WeakPolarHBondContact CD1-OG 3.46Å; H454-S473 PolarHBondContact NE2-OG 2.84Å; S460-S473 VanDerWaalsContact O-CA 3.3Å; S460-S473 WeakPolarHBondContact O-CA 3.03Å; S473-I480 CarbonylContact O-C 3.39Å; S473-I480 VanDerWaalsContact O-CA 3.26Å; S473-I480 WeakPolarHBondContact O-CA 3.39Å; S473-K481 PolarHBondContact N-O 3.16Å; S473-K481 PolarHBondContact O-N 2.78Å; S473-K481 PolarHBondContact OG-O 3.04Å; S473-W483 PolarHBondContact OG-NE1 2.87Å
474	G	96.4	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.6	176.3	0	0	0	0	0	111.7	V458 N459 S460 V500 V503	V458-G474 CarbonylContact C-O 3.59Å; V458-G474 WeakPolarHBondContact CG1-O 3.17Å; N459-G474 PolarHBondContact N-O 2.82Å; S460-G474 PolarHBondContact N-O 3.49Å; S460-G474 PolarHBondContact O-N 3.08Å; G474-V500 CarbonylContact C-O 3.53Å; G474-V503 VanDerWaalsContact CA-CG2 3.42Å
475	S	97.1	Very high	92	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.4	-169.6	72.9	0	0	0	0	114.8	H454 F457 D477 G478 T479 V500	H454-S475 PolarHBondContact CE1-OG 2.76Å; H454-S475 WeakPolarHBondContact ND1-CB 3.36Å; H454-S475 PolarHBondContact ND1-OG 3.34Å; F457-S475 CarbonylContact O-C 3.55Å; F457-S475 WeakPolarHBondContact O-CA 3.4Å; F457-S475 WeakPolarHBondContact O-CB 3.22Å; S475-D477 PolarHBondContact O-N 3.02Å; S475-D477 PolarHBondContact OG-N 3.45Å; S475-D477 PolarHBondContact OG-OD1 3.39Å; S475-D477 PolarHBondContact OG-OD2 3.29Å; S475-G478 PolarHBondContact O-N 3.31Å; S475-T479 PolarHBondContact OG-O 3.04Å; S475-T479 VanDerWaalsContact OG-O 3.11Å; S475-V500 PolarHBondContact N-O 3.33Å; S475-V500 PolarHBondContact O-N 3.38Å
476	D	96	Very high	92.1	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.4	174.3	-80.9	-7	0	0	0	114.5	S456 F457 N459 G478 Q499	S456-D476 WeakPolarHBondContact OG-CB 3.1Å; F457-D476 HydrophobicContact CB-CB 4.44Å; F457-D476 WeakPolarHBondContact CD2-OD2 3.29Å; F457-D476 PolarHBondContact O-N 3.01Å; N459-D476 PolarHBondContact ND2-OD1 3.33Å; D476-G478 VanDerWaalsContact C-N 3.26Å; D476-Q499 HydrophobicContact CB-CG 4.41Å; D476-Q499 VanDerWaalsContact CG-NE2 3.32Å; D476-Q499 PolarHBondContact OD1-NE2 3.01Å
477	D	95.4	Very high	92.5	Very high	45 Å²	45	38 Å²	38	24%	0.241	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.4	173.1	68.7	40.8	0	0	0	113.3	H454 A455 S475 T479	H454-D477 WeakPolarHBondContact CA-OD2 3.29Å; H454-D477 WeakPolarHBondContact CB-OD2 3.43Å; H454-D477 IonicContact CG-OD2 3.9Å; H454-D477 IonicContact ND1-OD1 3.62Å; H454-D477 IonicContact ND1-OD2 2.92Å; H454-D477 PolarHBondContact ND1-OD2 3.36Å; A455-D477 HydrophobicContact CB-CB 3.95Å; A455-D477 PolarHBondContact N-OD2 3.17Å; S475-D477 PolarHBondContact O-N 3.02Å; S475-D477 PolarHBondContact OG-N 3.45Å; S475-D477 PolarHBondContact OG-OD1 3.39Å; S475-D477 PolarHBondContact OG-OD2 3.29Å; D477-T479 PolarHBondContact O-N 2.81Å; D477-T479 WeakPolarHBondContact OD1-CA 3.28Å; D477-T479 WeakPolarHBondContact OD1-CB 3.45Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.43Å; D477-T479 PolarHBondContact OD1-N 2.91Å; D477-T479 PolarHBondContact OD1-OG1 3.26Å
478	G	94.4	Very high	92.9	Very high	8 Å²	8	44.1 Å²	44.1	8%	0.082	20%	0.196	C	C	.	.	S	Bend	trans	81.4	-8.2	-178.6	0	0	0	0	0	113.9	S475 D476 N496	S475-G478 PolarHBondContact O-N 3.31Å; D476-G478 VanDerWaalsContact C-N 3.26Å; G478-N496 WeakPolarHBondContact O-CA 3.23Å; G478-N496 VanDerWaalsContact O-CB 3.24Å; G478-N496 WeakPolarHBondContact O-CB 3.39Å; G478-N496 PolarHBondContact O-N 2.79Å
479	T	96	Very high	93.3	Very high	20 Å²	20	45.3 Å²	45.3	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	146.6	178.8	75.4	0	0	0	0	112.9	H454 S475 D477 K481 F494 D495	H454-T479 PolarHBondContact CE1-O 2.81Å; H454-T479 PolarHBondContact ND1-OG1 3.46Å; S475-T479 PolarHBondContact OG-O 3.04Å; S475-T479 VanDerWaalsContact OG-O 3.11Å; D477-T479 PolarHBondContact O-N 2.81Å; D477-T479 WeakPolarHBondContact OD1-CA 3.28Å; D477-T479 WeakPolarHBondContact OD1-CB 3.45Å; D477-T479 WeakPolarHBondContact OD1-CG2 3.43Å; D477-T479 PolarHBondContact OD1-N 2.91Å; D477-T479 PolarHBondContact OD1-OG1 3.26Å; T479-K481 WeakPolarHBondContact OG1-CE 3.07Å; T479-F494 WeakPolarHBondContact CA-O 3.46Å; T479-D495 WeakPolarHBondContact CG2-OD1 3.29Å
480	I	96.5	Very high	93.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.7	165.7	-59.4	158.6	0	0	0	107	S473 S493 F494 V500 V503 V512 A514 W524	S473-I480 CarbonylContact O-C 3.39Å; S473-I480 VanDerWaalsContact O-CA 3.26Å; S473-I480 WeakPolarHBondContact O-CA 3.39Å; I480-S493 CarbonylContact O-C 3.58Å; I480-S493 WeakPolarHBondContact O-CA 3.15Å; I480-F494 HydrophobicContact CB-CB 4.39Å; I480-F494 PolarHBondContact N-O 3.3Å; I480-F494 PolarHBondContact O-N 3.44Å; I480-V500 HydrophobicContact CD1-CG2 4.36Å; I480-V500 HydrophobicContact CG1-CB 4.44Å; I480-V500 HydrophobicContact CG1-CG1 4.07Å; I480-V500 HydrophobicContact CG1-CG2 3.98Å; I480-V503 HydrophobicContact CG2-CG1 4.13Å; I480-V512 HydrophobicContact CG2-CG1 3.9Å; I480-A514 HydrophobicContact CD1-CB 3.45Å; I480-A514 VanDerWaalsContact CD1-CB 3.45Å; I480-A514 HydrophobicContact CG1-CB 4.2Å; I480-W524 HydrophobicContact CD1-CD2 4.27Å; I480-W524 HydrophobicContact CD1-CE3 3.86Å; I480-W524 HydrophobicContact CD1-CH2 3.23Å; I480-W524 HydrophobicContact CD1-CZ2 3.69Å; I480-W524 HydrophobicContact CD1-CZ3 3.34Å
481	K	96.2	Very high	93.5	Very high	18 Å²	18	46.5 Å²	46.5	8%	0.078	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.9	-179.1	-61.8	-168.7	-176.4	-158.2	0	111.9	G453 C472 S473 T479 W483 Y490 H492	G453-K481 PolarHBondContact O-NZ 3.31Å; C472-K481 CarbonylContact C-O 3.28Å; C472-K481 WeakPolarHBondContact CA-O 3.5Å; S473-K481 PolarHBondContact N-O 3.16Å; S473-K481 PolarHBondContact O-N 2.78Å; S473-K481 PolarHBondContact OG-O 3.04Å; T479-K481 WeakPolarHBondContact OG1-CE 3.07Å; K481-W483 HydrophobicContact CB-CZ2 3.83Å; K481-W483 HydrophobicContact CD-CH2 4.49Å; K481-W483 HydrophobicContact CD-CZ2 4.05Å; K481-Y490 HydrophobicContact CD-CD1 3.83Å; K481-Y490 HydrophobicContact CD-CD2 4.46Å; K481-Y490 HydrophobicContact CD-CE1 4.1Å; K481-Y490 HydrophobicContact CD-CG 4.03Å; K481-H492 WeakPolarHBondContact CA-O 3.48Å
482	V	95.9	Very high	93.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.5	-177.6	-178.4	0	0	0	0	108.7	I471 C472 Y490 I491 H492 F494 F505 V512 L526	I471-V482 CarbonylContact O-C 3.57Å; I471-V482 WeakPolarHBondContact O-CA 3.36Å; C472-V482 HydrophobicContact CB-CG2 4.49Å; V482-Y490 CarbonylContact O-C 3.59Å; V482-Y490 WeakPolarHBondContact O-CA 3.39Å; V482-I491 HydrophobicContact CG1-CD1 4.49Å; V482-I491 PolarHBondContact O-N 3.47Å; V482-H492 HydrophobicContact CB-CB 4.2Å; V482-H492 HydrophobicContact CG2-CB 4.35Å; V482-H492 PolarHBondContact N-O 2.94Å; V482-F494 HydrophobicContact CG2-CE2 4.15Å; V482-F505 HydrophobicContact CG1-CE1 4.36Å; V482-F505 HydrophobicContact CG1-CZ 4.22Å; V482-V512 HydrophobicContact CG2-CG2 4.12Å; V482-L526 HydrophobicContact CG1-CD2 4.24Å; V482-L526 HydrophobicContact CG2-CD2 3.86Å
483	W	95.1	Very high	93.4	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.7	-170.4	-48.7	85.5	0	0	0	110.6	I437 F451 L470 I471 S473 K481 Y490	I437-W483 HydrophobicContact CD1-CZ2 4.15Å; F451-W483 HydrophobicContact CB-CD2 4.1Å; F451-W483 HydrophobicContact CB-CE3 3.79Å; F451-W483 HydrophobicContact CB-CH2 4.21Å; F451-W483 HydrophobicContact CB-CZ3 3.84Å; F451-W483 HydrophobicContact CD1-CB 4.34Å; F451-W483 HydrophobicContact CD1-CD2 4.03Å; F451-W483 AromaticContact CD1-CE3 3.4Å; F451-W483 HydrophobicContact CD1-CE3 3.4Å; F451-W483 HydrophobicContact CD1-CG 4.43Å; F451-W483 HydrophobicContact CD1-CZ3 4.02Å; F451-W483 HydrophobicContact CE1-CB 4.15Å; F451-W483 HydrophobicContact CE1-CE3 4.18Å; F451-W483 HydrophobicContact CE2-CB 4.5Å; F451-W483 HydrophobicContact CG-CD2 4.05Å; F451-W483 AromaticContact CG-CE3 3.77Å; F451-W483 HydrophobicContact CG-CE3 3.77Å; F451-W483 HydrophobicContact CG-CG 4.41Å; F451-W483 HydrophobicContact CG-CZ3 4.29Å; F451-W483 HydrophobicContact CZ-CB 4.24Å; L470-W483 VanDerWaalsContact CA-O 3.31Å; L470-W483 WeakPolarHBondContact CA-O 3.38Å; I471-W483 HydrophobicContact CB-CB 4.32Å; I471-W483 PolarHBondContact N-O 2.78Å; I471-W483 PolarHBondContact O-N 2.91Å; S473-W483 PolarHBondContact OG-NE1 2.87Å; K481-W483 HydrophobicContact CB-CZ2 3.83Å; K481-W483 HydrophobicContact CD-CH2 4.49Å; K481-W483 HydrophobicContact CD-CZ2 4.05Å; W483-Y490 AromaticContact CH2-CD1 3.94Å; W483-Y490 HydrophobicContact CH2-CD1 3.94Å; W483-Y490 HydrophobicContact CH2-CG 4.48Å; W483-Y490 HydrophobicContact CZ3-CD1 4.09Å; W483-Y490 HydrophobicContact CZ3-CG 4.47Å
484	D	92	Very high	93.3	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.6	167.1	-179.2	-10.5	0	0	0	108.1	L470 R486 K487 I491	L470-D484 HydrophobicContact CD2-CB 4.39Å; D484-R486 PolarHBondContact O-N 2.85Å; D484-R486 VanDerWaalsContact O-N 3.1Å; D484-R486 VanDerWaalsContact OD1-CB 3.31Å; D484-R486 WeakPolarHBondContact OD1-CB 3.24Å; D484-R486 WeakPolarHBondContact OD1-CG 3.26Å; D484-R486 PolarHBondContact OD1-N 2.87Å; D484-K487 HydrophobicContact CB-CB 4.06Å; D484-K487 HydrophobicContact CB-CD 4.11Å; D484-K487 HydrophobicContact CB-CG 3.99Å; D484-K487 PolarHBondContact O-N 2.87Å; D484-I491 HydrophobicContact CB-CD1 3.84Å; D484-I491 HydrophobicContact CB-CG1 4.11Å
485	Q	86.2	Confident	93.1	Very high	37 Å²	37	58.1 Å²	58.1	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-52.4	-31.5	172.1	178.3	170.3	43.9	0	0	112.4	I439 R449 R469	I439-Q485 HydrophobicContact CD1-CB 4.08Å; I439-Q485 HydrophobicContact CD1-CG 3.65Å; R449-Q485 PolarHBondContact NH1-O 2.96Å; R449-Q485 VanDerWaalsContact NH1-O 3.09Å; R469-Q485 HydrophobicContact CB-CB 4.31Å; R469-Q485 PolarHBondContact O-N 2.76Å
486	R	88.6	Confident	92.9	Very high	213 Å²	213	59.2 Å²	59.2	80%	0.804	28%	0.275	S	S	*	.	S	Bend	trans	-77.4	-43.9	-176.5	-60.2	174.3	173.5	176.4	-2.2	112.1	R449 D484	R449-R486 PolarHBondContact NH1-O 3.11Å; R449-R486 PolarHBondContact NH2-O 2.81Å; D484-R486 PolarHBondContact O-N 2.85Å; D484-R486 VanDerWaalsContact O-N 3.1Å; D484-R486 VanDerWaalsContact OD1-CB 3.31Å; D484-R486 WeakPolarHBondContact OD1-CB 3.24Å; D484-R486 WeakPolarHBondContact OD1-CG 3.26Å; D484-R486 PolarHBondContact OD1-N 2.87Å
487	K	89.2	Confident	92.6	Very high	111 Å²	111	66.2 Å²	66.2	48%	0.483	30%	0.304	S	S	.	.			trans	-77.2	168.1	-178.6	-60.3	178.2	-174.5	179.9	0	111.7	R449 D484	R449-K487 PolarHBondContact NH1-O 3.36Å; D484-K487 HydrophobicContact CB-CB 4.06Å; D484-K487 HydrophobicContact CB-CD 4.11Å; D484-K487 HydrophobicContact CB-CG 3.99Å; D484-K487 PolarHBondContact O-N 2.87Å
488	R	87	Confident	92.6	Very high	199 Å²	199	70.6 Å²	70.6	75%	0.751	32%	0.318	S	S	*	.	S	Bend	trans	-95	-37.2	175.1	176.1	174.7	169.2	170.1	-5.2	112	F451	F451-R488 WeakPolarHBondContact CD1-O 3.45Å
489	D	89.6	Confident	92.6	Very high	102 Å²	102	73.9 Å²	73.9	55%	0.545	33%	0.331	S	S	.	.	S	Bend	trans	-102.3	166.2	-175	-43.8	-68.4	0	0	0	110.4
490	Y	93	Very high	92.7	Very high	95 Å²	95	73 Å²	73	37%	0.373	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.4	178.5	57.2	-89.2	0	0	0	111.4	K481 V482 W483 S493	K481-Y490 HydrophobicContact CD-CD1 3.83Å; K481-Y490 HydrophobicContact CD-CD2 4.46Å; K481-Y490 HydrophobicContact CD-CE1 4.1Å; K481-Y490 HydrophobicContact CD-CG 4.03Å; V482-Y490 CarbonylContact O-C 3.59Å; V482-Y490 WeakPolarHBondContact O-CA 3.39Å; W483-Y490 AromaticContact CH2-CD1 3.94Å; W483-Y490 HydrophobicContact CH2-CD1 3.94Å; W483-Y490 HydrophobicContact CH2-CG 4.48Å; W483-Y490 HydrophobicContact CZ3-CD1 4.09Å; W483-Y490 HydrophobicContact CZ3-CG 4.47Å; Y490-S493 WeakPolarHBondContact CE2-OG 3.39Å
491	I	91.9	Very high	92.6	Very high	59 Å²	59	73.6 Å²	73.6	30%	0.303	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-44.3	175.8	-39.5	173.5	0	0	0	110.4	L470 V482 D484	L470-I491 HydrophobicContact CD2-CD1 3.44Å; L470-I491 VanDerWaalsContact CD2-CD1 3.44Å; V482-I491 HydrophobicContact CG1-CD1 4.49Å; V482-I491 PolarHBondContact O-N 3.47Å; D484-I491 HydrophobicContact CB-CD1 3.84Å; D484-I491 HydrophobicContact CB-CG1 4.11Å
492	H	93.5	Very high	92.6	Very high	66 Å²	66	72.8 Å²	72.8	31%	0.306	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.5	-178.6	-56.3	-82.5	0	0	0	109.8	K481 V482 F494 L526	K481-H492 WeakPolarHBondContact CA-O 3.48Å; V482-H492 HydrophobicContact CB-CB 4.2Å; V482-H492 HydrophobicContact CG2-CB 4.35Å; V482-H492 PolarHBondContact N-O 2.94Å; H492-F494 HydrophobicContact CB-CE1 3.86Å; H492-F494 HydrophobicContact CB-CE2 4.27Å; H492-F494 HydrophobicContact CB-CZ 3.62Å; H492-L526 PolarHBondContact CE1-O 3.22Å
493	S	94.3	Very high	92.7	Very high	47 Å²	47	73 Å²	73	33%	0.329	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.5	164.8	50.2	0	0	0	0	108.2	I480 Y490	I480-S493 CarbonylContact O-C 3.58Å; I480-S493 WeakPolarHBondContact O-CA 3.15Å; Y490-S493 WeakPolarHBondContact CE2-OG 3.39Å
494	F	94.7	Very high	92.7	Very high	9 Å²	9	72.9 Å²	72.9	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	174.4	-51.4	-48.5	0	0	0	109	T479 I480 V482 H492 V512 W524 L526	T479-F494 WeakPolarHBondContact CA-O 3.46Å; I480-F494 HydrophobicContact CB-CB 4.39Å; I480-F494 PolarHBondContact N-O 3.3Å; I480-F494 PolarHBondContact O-N 3.44Å; V482-F494 HydrophobicContact CG2-CE2 4.15Å; H492-F494 HydrophobicContact CB-CE1 3.86Å; H492-F494 HydrophobicContact CB-CE2 4.27Å; H492-F494 HydrophobicContact CB-CZ 3.62Å; F494-V512 HydrophobicContact CE2-CG2 4.43Å; F494-W524 HydrophobicContact CB-CD2 4.48Å; F494-W524 HydrophobicContact CB-CG 4.25Å; F494-W524 HydrophobicContact CD2-CB 4Å; F494-W524 AromaticContact CD2-CG 3.96Å; F494-W524 HydrophobicContact CD2-CG 3.96Å; F494-W524 HydrophobicContact CE2-CB 4.11Å; F494-W524 HydrophobicContact CG-CB 4.44Å; F494-W524 AromaticContact CG-CD1 3.67Å; F494-W524 HydrophobicContact CG-CG 4.06Å; F494-L526 HydrophobicContact CE2-CD2 3.94Å; F494-L526 HydrophobicContact CZ-CD2 3.96Å
495	D	92.8	Very high	92.9	Very high	124 Å²	124	71.6 Å²	71.6	66%	0.663	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.5	-177.5	-55.8	-28.8	0	0	0	109.9	T479	T479-D495 WeakPolarHBondContact CG2-OD1 3.29Å
496	N	92.1	Very high	93.1	Very high	24 Å²	24	70.4 Å²	70.4	13%	0.128	31%	0.314	C	S	.	.			trans	-114.4	156.7	170.7	-174.3	49.1	0	0	0	110	G478 Y498 V500 D518 K522 W524	G478-N496 WeakPolarHBondContact O-CA 3.23Å; G478-N496 VanDerWaalsContact O-CB 3.24Å; G478-N496 WeakPolarHBondContact O-CB 3.39Å; G478-N496 PolarHBondContact O-N 2.79Å; N496-Y498 PolarHBondContact ND2-O 3.14Å; N496-V500 HydrophobicContact CB-CG2 4.03Å; N496-D518 PolarHBondContact ND2-OD1 3.3Å; N496-K522 PolarHBondContact OD1-NZ 2.91Å; N496-W524 HydrophobicContact CB-CZ2 4.42Å
497	K	91	Very high	93.2	Very high	184 Å²	184	61 Å²	61	80%	0.8	28%	0.28	S	S	*	.	S	Bend	trans	-74.1	-28.2	-174.9	-70.9	-173.4	177.6	-178.1	0	114
498	Y	94.5	Very high	93.1	Very high	137 Å²	137	59.4 Å²	59.4	54%	0.537	28%	0.28	S	S	.	.	S	Bend	trans	-131.5	172.2	179.8	-52.8	-93.9	0	0	0	111.1	N496 D518	N496-Y498 PolarHBondContact ND2-O 3.14Å; Y498-D518 WeakPolarHBondContact CD2-OD2 3.2Å
499	Q	95	Very high	93.2	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	25%	0.249	S	C	.	.			trans	-57.7	135.7	-176.5	-56.1	-175.9	-58.5	0	0	111.6	D476 G516 I517	D476-Q499 HydrophobicContact CB-CG 4.41Å; D476-Q499 VanDerWaalsContact CG-NE2 3.32Å; D476-Q499 PolarHBondContact OD1-NE2 3.01Å; Q499-G516 VanDerWaalsContact O-CA 3.24Å; Q499-G516 WeakPolarHBondContact O-CA 3.44Å; Q499-I517 HydrophobicContact CB-CD1 3.89Å; Q499-I517 HydrophobicContact CB-CG1 4.26Å; Q499-I517 HydrophobicContact CG-CD1 4.25Å; Q499-I517 PolarHBondContact O-N 3.28Å; Q499-I517 VanDerWaalsContact O-N 3.1Å; Q499-I517 VanDerWaalsContact OE1-CD1 3.24Å
500	V	96.8	Very high	93.2	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.6	-179	-178.7	0	0	0	0	109.1	N459 G474 S475 I480 N496 V503 A514	N459-V500 PolarHBondContact ND2-O 3.43Å; G474-V500 CarbonylContact C-O 3.53Å; S475-V500 PolarHBondContact N-O 3.33Å; S475-V500 PolarHBondContact O-N 3.38Å; I480-V500 HydrophobicContact CD1-CG2 4.36Å; I480-V500 HydrophobicContact CG1-CB 4.44Å; I480-V500 HydrophobicContact CG1-CG1 4.07Å; I480-V500 HydrophobicContact CG1-CG2 3.98Å; N496-V500 HydrophobicContact CB-CG2 4.03Å; V500-V503 HydrophobicContact CG1-CG2 3.55Å; V500-A514 HydrophobicContact CG1-CB 3.79Å
501	T	96.1	Very high	93.2	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-35.4	-171.4	47.1	0	0	0	0	111.9	S460 G515 G516 V542 L592	S460-T501 WeakPolarHBondContact CB-O 3.5Å; S460-T501 VanDerWaalsContact OG-C 3.3Å; S460-T501 PolarHBondContact OG-O 2.9Å; T501-G515 PolarHBondContact N-O 2.89Å; T501-G515 VanDerWaalsContact N-O 3.13Å; T501-G515 PolarHBondContact OG1-O 2.9Å; T501-G516 WeakPolarHBondContact OG1-CA 3.3Å; T501-V542 VanDerWaalsContact CB-O 3.31Å; T501-V542 WeakPolarHBondContact CB-O 3.49Å; T501-V542 PolarHBondContact OG1-O 3.29Å; T501-L592 HydrophobicContact CG2-CD2 3.95Å
502	A	96	Very high	93.4	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.9	-177.7	0	0	0	0	0	111.7	S460 A514 G515 V542 L545	S460-A502 VanDerWaalsContact OG-CA 3.22Å; S460-A502 WeakPolarHBondContact OG-CA 3.29Å; S460-A502 PolarHBondContact OG-N 2.9Å; A502-A514 VanDerWaalsContact O-CA 3.28Å; A502-A514 WeakPolarHBondContact O-CA 3.36Å; A502-G515 PolarHBondContact N-O 3.16Å; A502-G515 PolarHBondContact O-N 2.61Å; A502-V542 HydrophobicContact CB-CG1 4.38Å; A502-L545 HydrophobicContact CB-CB 4.09Å; A502-L545 HydrophobicContact CB-CD1 4.14Å; A502-L545 HydrophobicContact CB-CG 3.79Å
503	V	96.6	Very high	93.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.1	178.3	-171.1	0	0	0	0	110.7	S460 H462 C472 G474 I480 V500 V512 I513 A514	S460-V503 PolarHBondContact OG-N 3.18Å; H462-V503 WeakPolarHBondContact CB-O 3.31Å; C472-V503 HydrophobicContact CB-CG1 3.97Å; G474-V503 VanDerWaalsContact CA-CG2 3.42Å; I480-V503 HydrophobicContact CG2-CG1 4.13Å; V500-V503 HydrophobicContact CG1-CG2 3.55Å; V503-V512 HydrophobicContact CG1-CG1 3.49Å; V503-V512 VanDerWaalsContact CG1-CG1 3.49Å; V503-I513 CarbonylContact C-O 3.56Å; V503-I513 WeakPolarHBondContact CA-O 3.45Å; V503-I513 WeakPolarHBondContact CG1-O 3.49Å; V503-A514 HydrophobicContact CB-CB 4.46Å; V503-A514 HydrophobicContact CG1-CB 4.37Å; V503-A514 HydrophobicContact CG2-CB 3.88Å
504	T	96	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.1	168.5	51.3	0	0	0	0	110.8	I513 L545	T504-I513 PolarHBondContact N-O 3.47Å; T504-I513 PolarHBondContact O-N 3.41Å; T504-L545 HydrophobicContact CG2-CB 3.64Å
505	F	95.3	Very high	93.7	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	171.2	160.1	-76.2	-71.8	0	0	0	110.4	A464 L470 C472 V482 H511 V512 L526 L547	A464-F505 HydrophobicContact CB-CE2 4.49Å; L470-F505 HydrophobicContact CB-CE2 4.23Å; L470-F505 HydrophobicContact CB-CZ 3.77Å; C472-F505 HydrophobicContact CB-CD1 4.49Å; C472-F505 HydrophobicContact CB-CD2 4.29Å; C472-F505 HydrophobicContact CB-CE1 3.98Å; C472-F505 HydrophobicContact CB-CE2 3.77Å; C472-F505 HydrophobicContact CB-CZ 3.59Å; C472-F505 VanDerWaalsContact N-CE2 3.3Å; C472-F505 VanDerWaalsContact SG-CD2 3.51Å; C472-F505 VanDerWaalsContact SG-CE2 3.53Å; V482-F505 HydrophobicContact CG1-CE1 4.36Å; V482-F505 HydrophobicContact CG1-CZ 4.22Å; F505-H511 CarbonylContact C-O 3.53Å; F505-H511 WeakPolarHBondContact CA-O 3.39Å; F505-V512 HydrophobicContact CD1-CG2 3.75Å; F505-V512 HydrophobicContact CE1-CG2 3.72Å; F505-L526 HydrophobicContact CD1-CD1 4.2Å; F505-L526 HydrophobicContact CE1-CD1 4.04Å; F505-L547 VanDerWaalsContact O-CD1 3.24Å; F505-L547 WeakPolarHBondContact O-CD1 3.42Å; F505-L547 VanDerWaalsContact O-CD2 3.28Å; F505-L547 WeakPolarHBondContact O-CD2 3.46Å; F505-L547 VanDerWaalsContact O-CG 3.31Å; F505-L547 WeakPolarHBondContact O-CG 3.35Å
506	N	92	Very high	93.7	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.064	15%	0.154	C	C	.	.			trans	-80.7	161	151.2	-84.8	24.5	0	0	0	110.9	T508 T509 H511 I513 I568	N506-T508 VanDerWaalsContact C-N 3.27Å; N506-T508 PolarHBondContact O-N 2.9Å; N506-T509 PolarHBondContact O-N 3.06Å; N506-H511 HydrophobicContact CB-CB 4.08Å; N506-H511 PolarHBondContact N-O 2.79Å; N506-I513 WeakPolarHBondContact OD1-CD1 3.39Å; N506-I568 WeakPolarHBondContact OD1-CD1 3.44Å
507	D	89.7	Confident	93.8	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.091	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.4	-179.6	-167.4	73.8	0	0	0	114.2	R465 R466 T509	R465-D507 IonicContact CZ-OD1 3.8Å; R465-D507 IonicContact NE-OD1 2.68Å; R465-D507 PolarHBondContact NE-OD1 3.39Å; R465-D507 IonicContact NH2-OD1 2.7Å; R465-D507 PolarHBondContact NH2-OD1 3.29Å; R466-D507 WeakPolarHBondContact CD-OD2 3.43Å; R466-D507 IonicContact CZ-OD2 2.74Å; R466-D507 IonicContact NE-OD2 3.74Å; R466-D507 IonicContact NH1-OD2 3.12Å; R466-D507 PolarHBondContact NH1-OD2 3.08Å; D507-T509 VanDerWaalsContact C-N 3.27Å; D507-T509 PolarHBondContact O-N 3.31Å
508	T	87.8	Confident	93.8	Very high	76 Å²	76	26.9 Å²	26.9	47%	0.466	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.1	174.6	63.4	0	0	0	0	114	N506 E510	N506-T508 VanDerWaalsContact C-N 3.27Å; N506-T508 PolarHBondContact O-N 2.9Å; T508-E510 VanDerWaalsContact CB-OE2 3.28Å; T508-E510 WeakPolarHBondContact CB-OE2 2.97Å; T508-E510 PolarHBondContact O-N 3.13Å; T508-E510 PolarHBondContact OG1-OE2 2.96Å
509	T	87.8	Confident	93.8	Very high	18 Å²	18	22.2 Å²	22.2	11%	0.11	12%	0.118	C	C	.	.	S	Bend	trans	57.2	25.9	-171.8	67	0	0	0	0	115	A464 R466 N506 D507 L526	A464-T509 HydrophobicContact CB-CG2 3.57Å; R466-T509 VanDerWaalsContact O-CG2 3.22Å; R466-T509 WeakPolarHBondContact O-CG2 3.32Å; N506-T509 PolarHBondContact O-N 3.06Å; D507-T509 VanDerWaalsContact C-N 3.27Å; D507-T509 PolarHBondContact O-N 3.31Å; T509-L526 WeakPolarHBondContact O-CD1 3.43Å
510	E	90.8	Very high	93.8	Very high	64 Å²	64	20.5 Å²	20.5	30%	0.299	11%	0.111	S	C	.	.	S	Bend	trans	-94.2	-18.2	175.3	-64.2	172.8	117.1	0	0	113.2	T508 L526 R527	T508-E510 VanDerWaalsContact CB-OE2 3.28Å; T508-E510 WeakPolarHBondContact CB-OE2 2.97Å; T508-E510 PolarHBondContact O-N 3.13Å; T508-E510 PolarHBondContact OG1-OE2 2.96Å; E510-L526 WeakPolarHBondContact O-CB 3.45Å; E510-L526 PolarHBondContact O-N 3.22Å; E510-R527 IonicContact OE1-CZ 3.9Å; E510-R527 IonicContact OE1-NH1 3.68Å; E510-R527 PolarHBondContact OE1-NH1 3.2Å; E510-R527 IonicContact OE1-NH2 3.58Å; E510-R527 PolarHBondContact OE1-NH2 3.08Å
511	H	93.6	Very high	93.8	Very high	40 Å²	40	20.5 Å²	20.5	19%	0.185	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.1	176.9	-63	-63.6	0	0	0	112.2	F505 N506 V523 W524	F505-H511 CarbonylContact C-O 3.53Å; F505-H511 WeakPolarHBondContact CA-O 3.39Å; N506-H511 HydrophobicContact CB-CB 4.08Å; N506-H511 PolarHBondContact N-O 2.79Å; H511-V523 HydrophobicContact CB-CG1 3.83Å; H511-W524 WeakPolarHBondContact CA-O 3.4Å; H511-W524 WeakPolarHBondContact CB-O 3.44Å; H511-W524 PolarHBondContact ND1-O 2.86Å
512	V	95.4	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134	165.1	179.2	0	0	0	0	107.8	C472 I480 V482 F494 V503 F505 V523 W524 L526	C472-V512 HydrophobicContact CB-CG1 4.25Å; C472-V512 HydrophobicContact CB-CG2 4.41Å; I480-V512 HydrophobicContact CG2-CG1 3.9Å; V482-V512 HydrophobicContact CG2-CG2 4.12Å; F494-V512 HydrophobicContact CE2-CG2 4.43Å; V503-V512 HydrophobicContact CG1-CG1 3.49Å; V503-V512 VanDerWaalsContact CG1-CG1 3.49Å; F505-V512 HydrophobicContact CD1-CG2 3.75Å; F505-V512 HydrophobicContact CE1-CG2 3.72Å; V512-V523 CarbonylContact O-C 3.52Å; V512-V523 WeakPolarHBondContact O-CA 3.15Å; V512-W524 PolarHBondContact N-O 3.32Å; V512-W524 VanDerWaalsContact N-O 3.09Å; V512-W524 PolarHBondContact O-N 3.31Å; V512-L526 HydrophobicContact CG2-CD1 3.97Å; V512-L526 HydrophobicContact CG2-CD2 3.82Å; V512-L526 HydrophobicContact CG2-CG 3.98Å
513	I	96.3	Very high	93.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.8	176	-58.6	-178.7	0	0	0	107.5	V503 T504 N506 K522 V523 L545 V554 I568	V503-I513 CarbonylContact C-O 3.56Å; V503-I513 WeakPolarHBondContact CA-O 3.45Å; V503-I513 WeakPolarHBondContact CG1-O 3.49Å; T504-I513 PolarHBondContact N-O 3.47Å; T504-I513 PolarHBondContact O-N 3.41Å; N506-I513 WeakPolarHBondContact OD1-CD1 3.39Å; I513-K522 WeakPolarHBondContact CA-O 3.32Å; I513-V523 HydrophobicContact CD1-CG2 4.23Å; I513-V523 HydrophobicContact CG1-CB 4.37Å; I513-V523 HydrophobicContact CG1-CG1 3.99Å; I513-V523 HydrophobicContact CG1-CG2 3.89Å; I513-V523 HydrophobicContact CG2-CG2 4.45Å; I513-L545 HydrophobicContact CG2-CD1 4.1Å; I513-V554 HydrophobicContact CD1-CG2 3.89Å; I513-I568 HydrophobicContact CD1-CB 4.22Å; I513-I568 HydrophobicContact CD1-CD1 4.38Å; I513-I568 HydrophobicContact CD1-CG2 3.51Å
514	A	96.3	Very high	93.6	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.2	172.9	0	0	0	0	0	112.4	I480 V500 A502 V503 L521 K522 W524	I480-A514 HydrophobicContact CD1-CB 3.45Å; I480-A514 VanDerWaalsContact CD1-CB 3.45Å; I480-A514 HydrophobicContact CG1-CB 4.2Å; V500-A514 HydrophobicContact CG1-CB 3.79Å; A502-A514 VanDerWaalsContact O-CA 3.28Å; A502-A514 WeakPolarHBondContact O-CA 3.36Å; V503-A514 HydrophobicContact CB-CB 4.46Å; V503-A514 HydrophobicContact CG1-CB 4.37Å; V503-A514 HydrophobicContact CG2-CB 3.88Å; A514-L521 WeakPolarHBondContact O-CA 3.41Å; A514-K522 PolarHBondContact N-O 2.94Å; A514-K522 PolarHBondContact O-N 3.19Å; A514-W524 HydrophobicContact CB-CH2 4.23Å; A514-W524 HydrophobicContact CB-CZ3 3.68Å
515	G	95.5	Very high	93.5	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.4	168.4	0	0	0	0	0	110.1	T501 A502	T501-G515 PolarHBondContact N-O 2.89Å; T501-G515 VanDerWaalsContact N-O 3.13Å; T501-G515 PolarHBondContact OG1-O 2.9Å; A502-G515 PolarHBondContact N-O 3.16Å; A502-G515 PolarHBondContact O-N 2.61Å
516	G	93.6	Very high	93.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	-157.8	-173.4	0	0	0	0	0	112.5	Q499 T501 D518 N519 V542	Q499-G516 VanDerWaalsContact O-CA 3.24Å; Q499-G516 WeakPolarHBondContact O-CA 3.44Å; T501-G516 WeakPolarHBondContact OG1-CA 3.3Å; G516-D518 PolarHBondContact O-N 3.04Å; G516-N519 PolarHBondContact O-N 3.08Å; G516-V542 PolarHBondContact O-N 3Å
517	I	94.3	Very high	93.2	Very high	69 Å²	69	31.8 Å²	31.8	35%	0.354	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.5	174.6	-57.7	-175.7	0	0	0	112.1	Q499 N519 T541	Q499-I517 HydrophobicContact CB-CD1 3.89Å; Q499-I517 HydrophobicContact CB-CG1 4.26Å; Q499-I517 HydrophobicContact CG-CD1 4.25Å; Q499-I517 PolarHBondContact O-N 3.28Å; Q499-I517 VanDerWaalsContact O-N 3.1Å; Q499-I517 VanDerWaalsContact OE1-CD1 3.24Å; I517-N519 PolarHBondContact O-N 2.86Å; I517-N519 PolarHBondContact O-OD1 2.68Å; I517-T541 HydrophobicContact CB-CG2 4.3Å; I517-T541 HydrophobicContact CG1-CG2 4.06Å; I517-T541 HydrophobicContact CG2-CG2 4.22Å
518	D	91.5	Very high	93.3	Very high	29 Å²	29	38.4 Å²	38.4	16%	0.155	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.5	166.5	-62.9	75.1	0	0	0	114.2	N496 Y498 G516 D520 K522	N496-D518 PolarHBondContact ND2-OD1 3.3Å; Y498-D518 WeakPolarHBondContact CD2-OD2 3.2Å; G516-D518 PolarHBondContact O-N 3.04Å; D518-D520 PolarHBondContact O-N 3.47Å; D518-K522 VanDerWaalsContact CG-NZ 3.33Å; D518-K522 IonicContact OD1-NZ 2.67Å; D518-K522 IonicContact OD2-NZ 2.8Å; D518-K522 PolarHBondContact OD2-NZ 3.2Å
519	N	94.4	Very high	93.3	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.203	18%	0.176	C	C	.	.			trans	62.8	-35.3	-165.1	-51.9	-21.9	0	0	0	114.5	G516 I517 H538 V539 D540 T541 V542	G516-N519 PolarHBondContact O-N 3.08Å; I517-N519 PolarHBondContact O-N 2.86Å; I517-N519 PolarHBondContact O-OD1 2.68Å; N519-H538 HydrophobicContact CB-CB 4.28Å; N519-H538 WeakPolarHBondContact O-CB 3.1Å; N519-V539 VanDerWaalsContact ND2-C 3.33Å; N519-V539 PolarHBondContact ND2-O 3.39Å; N519-D540 WeakPolarHBondContact OD1-CA 3.16Å; N519-D540 PolarHBondContact OD1-O 2.54Å; N519-T541 WeakPolarHBondContact OD1-CA 3.4Å; N519-T541 PolarHBondContact OD1-N 3.15Å; N519-V542 WeakPolarHBondContact O-CG2 3.38Å
520	D	94.3	Very high	93.5	Very high	42 Å²	42	40 Å²	40	23%	0.225	20%	0.198	C	C	.	.	S	Bend	trans	-66.8	141.2	177.6	-67.8	-29.8	0	0	0	112.9	D518 F536	D518-D520 PolarHBondContact O-N 3.47Å; D520-F536 HydrophobicContact CB-CD1 4.4Å; D520-F536 WeakPolarHBondContact OD1-CD1 3.34Å; D520-F536 VanDerWaalsContact OD2-CD1 3.31Å; D520-F536 WeakPolarHBondContact OD2-CD1 2.99Å; D520-F536 VanDerWaalsContact OD2-CE1 3.27Å; D520-F536 WeakPolarHBondContact OD2-CE1 3.45Å
521	L	96.4	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.3	163.9	-56.7	-174.9	0	0	0	109.4	A514 G534 M535 V542 L545 W566	A514-L521 WeakPolarHBondContact O-CA 3.41Å; L521-G534 CarbonylContact O-C 3.52Å; L521-G534 WeakPolarHBondContact O-CA 3.43Å; L521-M535 HydrophobicContact CB-CB 3.99Å; L521-M535 HydrophobicContact CB-CG 3.91Å; L521-M535 HydrophobicContact CB-SD 4.23Å; L521-M535 HydrophobicContact CD1-SD 4.32Å; L521-M535 PolarHBondContact N-O 2.91Å; L521-M535 VanDerWaalsContact N-O 3.15Å; L521-M535 PolarHBondContact O-N 3.21Å; L521-V542 HydrophobicContact CD2-CB 4.47Å; L521-V542 HydrophobicContact CD2-CG1 4.07Å; L521-V542 HydrophobicContact CD2-CG2 3.89Å; L521-L545 HydrophobicContact CD1-CD2 4.08Å; L521-L545 HydrophobicContact CD2-CD1 4.49Å; L521-L545 HydrophobicContact CD2-CD2 3.84Å; L521-W566 HydrophobicContact CD1-CD2 4.18Å; L521-W566 HydrophobicContact CD1-CG 4.15Å; L521-W566 HydrophobicContact CD1-CZ2 4.32Å
522	K	95.3	Very high	93.4	Very high	37 Å²	37	40.5 Å²	40.5	16%	0.161	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	176.7	-66.6	171.6	-160	174.3	0	109.4	N496 I513 A514 D518 W524 V531	N496-K522 PolarHBondContact OD1-NZ 2.91Å; I513-K522 WeakPolarHBondContact CA-O 3.32Å; A514-K522 PolarHBondContact N-O 2.94Å; A514-K522 PolarHBondContact O-N 3.19Å; D518-K522 VanDerWaalsContact CG-NZ 3.33Å; D518-K522 IonicContact OD1-NZ 2.67Å; D518-K522 IonicContact OD2-NZ 2.8Å; D518-K522 PolarHBondContact OD2-NZ 3.2Å; K522-W524 HydrophobicContact CB-CE3 4.08Å; K522-W524 HydrophobicContact CB-CH2 3.4Å; K522-W524 HydrophobicContact CB-CZ2 4.06Å; K522-W524 HydrophobicContact CB-CZ3 3.4Å; K522-W524 HydrophobicContact CD-CH2 4.06Å; K522-W524 HydrophobicContact CD-CZ2 4.31Å; K522-W524 HydrophobicContact CG-CH2 4.34Å; K522-W524 WeakPolarHBondContact O-CZ3 3.29Å; K522-V531 HydrophobicContact CB-CG1 4.41Å
523	V	95.1	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114	-178.2	-173.7	0	0	0	0	108.6	H511 V512 I513 V531 A532 Y533 M535	H511-V523 HydrophobicContact CB-CG1 3.83Å; V512-V523 CarbonylContact O-C 3.52Å; V512-V523 WeakPolarHBondContact O-CA 3.15Å; I513-V523 HydrophobicContact CD1-CG2 4.23Å; I513-V523 HydrophobicContact CG1-CB 4.37Å; I513-V523 HydrophobicContact CG1-CG1 3.99Å; I513-V523 HydrophobicContact CG1-CG2 3.89Å; I513-V523 HydrophobicContact CG2-CG2 4.45Å; V523-V531 CarbonylContact O-C 3.52Å; V523-V531 WeakPolarHBondContact O-CA 3.47Å; V523-A532 PolarHBondContact O-N 3.49Å; V523-Y533 HydrophobicContact CB-CD1 4.49Å; V523-Y533 HydrophobicContact CB-CD2 4.15Å; V523-Y533 HydrophobicContact CB-CE1 4.3Å; V523-Y533 HydrophobicContact CB-CE2 3.94Å; V523-Y533 HydrophobicContact CB-CG 4.42Å; V523-Y533 HydrophobicContact CG1-CE1 4.13Å; V523-Y533 HydrophobicContact CG1-CE2 4.35Å; V523-Y533 HydrophobicContact CG2-CD2 3.79Å; V523-Y533 HydrophobicContact CG2-CE2 3.39Å; V523-Y533 PolarHBondContact N-O 3.34Å; V523-M535 HydrophobicContact CG2-CG 4.14Å; V523-M535 HydrophobicContact CG2-SD 4Å
524	W	95.2	Very high	93	Very high	9 Å²	9	43.9 Å²	43.9	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	177	-70	-102	0	0	0	110.7	I480 F494 N496 H511 V512 A514 K522 V530 V531	I480-W524 HydrophobicContact CD1-CD2 4.27Å; I480-W524 HydrophobicContact CD1-CE3 3.86Å; I480-W524 HydrophobicContact CD1-CH2 3.23Å; I480-W524 HydrophobicContact CD1-CZ2 3.69Å; I480-W524 HydrophobicContact CD1-CZ3 3.34Å; F494-W524 HydrophobicContact CB-CD2 4.48Å; F494-W524 HydrophobicContact CB-CG 4.25Å; F494-W524 HydrophobicContact CD2-CB 4Å; F494-W524 AromaticContact CD2-CG 3.96Å; F494-W524 HydrophobicContact CD2-CG 3.96Å; F494-W524 HydrophobicContact CE2-CB 4.11Å; F494-W524 HydrophobicContact CG-CB 4.44Å; F494-W524 AromaticContact CG-CD1 3.67Å; F494-W524 HydrophobicContact CG-CG 4.06Å; N496-W524 HydrophobicContact CB-CZ2 4.42Å; H511-W524 WeakPolarHBondContact CA-O 3.4Å; H511-W524 WeakPolarHBondContact CB-O 3.44Å; H511-W524 PolarHBondContact ND1-O 2.86Å; V512-W524 PolarHBondContact N-O 3.32Å; V512-W524 VanDerWaalsContact N-O 3.09Å; V512-W524 PolarHBondContact O-N 3.31Å; A514-W524 HydrophobicContact CB-CH2 4.23Å; A514-W524 HydrophobicContact CB-CZ3 3.68Å; K522-W524 HydrophobicContact CB-CE3 4.08Å; K522-W524 HydrophobicContact CB-CH2 3.4Å; K522-W524 HydrophobicContact CB-CZ2 4.06Å; K522-W524 HydrophobicContact CB-CZ3 3.4Å; K522-W524 HydrophobicContact CD-CH2 4.06Å; K522-W524 HydrophobicContact CD-CZ2 4.31Å; K522-W524 HydrophobicContact CG-CH2 4.34Å; K522-W524 WeakPolarHBondContact O-CZ3 3.29Å; W524-V530 WeakPolarHBondContact CA-O 3.5Å; W524-V531 HydrophobicContact CD2-CG2 4.23Å; W524-V531 HydrophobicContact CG-CG2 4.34Å; W524-V531 HydrophobicContact CZ2-CG2 4.2Å
525	D	93.2	Very high	92.9	Very high	14 Å²	14	43.9 Å²	43.9	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.8	168.8	177.9	-27.5	0	0	0	109.2	R527 K528 G529 V530 A532	D525-R527 PolarHBondContact O-N 3.23Å; D525-R527 WeakPolarHBondContact OD1-CA 3.4Å; D525-R527 WeakPolarHBondContact OD1-CB 3.4Å; D525-R527 PolarHBondContact OD1-N 3.17Å; D525-K528 HydrophobicContact CB-CB 4.14Å; D525-K528 HydrophobicContact CB-CG 4.37Å; D525-K528 PolarHBondContact O-N 3.09Å; D525-K528 PolarHBondContact OD1-N 3.42Å; D525-K528 VanDerWaalsContact OD1-N 3.17Å; D525-K528 WeakPolarHBondContact OD2-CD 3.29Å; D525-K528 WeakPolarHBondContact OD2-CE 3.46Å; D525-K528 WeakPolarHBondContact OD2-CG 3.46Å; D525-K528 IonicContact OD2-NZ 3.94Å; D525-K528 PolarHBondContact OD2-NZ 3.3Å; D525-G529 WeakPolarHBondContact O-CA 3.39Å; D525-G529 PolarHBondContact O-N 3.32Å; D525-V530 PolarHBondContact N-O 3.21Å; D525-A532 HydrophobicContact CB-CB 4.3Å
526	L	90.7	Very high	92.8	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.079	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.6	-176.7	-78.6	159.6	0	0	0	113.2	V482 H492 F494 F505 T509 E510 V512	V482-L526 HydrophobicContact CG1-CD2 4.24Å; V482-L526 HydrophobicContact CG2-CD2 3.86Å; H492-L526 PolarHBondContact CE1-O 3.22Å; F494-L526 HydrophobicContact CE2-CD2 3.94Å; F494-L526 HydrophobicContact CZ-CD2 3.96Å; F505-L526 HydrophobicContact CD1-CD1 4.2Å; F505-L526 HydrophobicContact CE1-CD1 4.04Å; T509-L526 WeakPolarHBondContact O-CD1 3.43Å; E510-L526 WeakPolarHBondContact O-CB 3.45Å; E510-L526 PolarHBondContact O-N 3.22Å; V512-L526 HydrophobicContact CG2-CD1 3.97Å; V512-L526 HydrophobicContact CG2-CD2 3.82Å; V512-L526 HydrophobicContact CG2-CG 3.98Å
527	R	91	Very high	92.6	Very high	192 Å²	192	52.5 Å²	52.5	73%	0.725	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-32.6	177.7	-60.5	-169.8	-177.3	104.5	2.2	112.2	E510 D525	E510-R527 IonicContact OE1-CZ 3.9Å; E510-R527 IonicContact OE1-NH1 3.68Å; E510-R527 PolarHBondContact OE1-NH1 3.2Å; E510-R527 IonicContact OE1-NH2 3.58Å; E510-R527 PolarHBondContact OE1-NH2 3.08Å; D525-R527 PolarHBondContact O-N 3.23Å; D525-R527 WeakPolarHBondContact OD1-CA 3.4Å; D525-R527 WeakPolarHBondContact OD1-CB 3.4Å; D525-R527 PolarHBondContact OD1-N 3.17Å
528	K	90.8	Very high	92.7	Very high	156 Å²	156	49.8 Å²	49.8	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-27.2	-179.4	-61	-174.9	-171.1	107.8	0	113.8	D525 V530	D525-K528 HydrophobicContact CB-CB 4.14Å; D525-K528 HydrophobicContact CB-CG 4.37Å; D525-K528 PolarHBondContact O-N 3.09Å; D525-K528 PolarHBondContact OD1-N 3.42Å; D525-K528 VanDerWaalsContact OD1-N 3.17Å; D525-K528 WeakPolarHBondContact OD2-CD 3.29Å; D525-K528 WeakPolarHBondContact OD2-CE 3.46Å; D525-K528 WeakPolarHBondContact OD2-CG 3.46Å; D525-K528 IonicContact OD2-NZ 3.94Å; D525-K528 PolarHBondContact OD2-NZ 3.3Å; K528-V530 VanDerWaalsContact C-N 3.28Å; K528-V530 PolarHBondContact O-N 2.83Å
529	G	88.9	Confident	92.8	Very high	34 Å²	34	53.7 Å²	53.7	35%	0.351	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	17.1	-172.8	0	0	0	0	0	114.9	D525	D525-G529 WeakPolarHBondContact O-CA 3.39Å; D525-G529 PolarHBondContact O-N 3.32Å
530	V	91.5	Very high	92.8	Very high	94 Å²	94	55 Å²	55	57%	0.57	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	152	-175	-177	0	0	0	0	109.8	W524 D525 K528 A532	W524-V530 WeakPolarHBondContact CA-O 3.5Å; D525-V530 PolarHBondContact N-O 3.21Å; K528-V530 VanDerWaalsContact C-N 3.28Å; K528-V530 PolarHBondContact O-N 2.83Å; V530-A532 PolarHBondContact O-N 3.04Å
531	V	91.6	Very high	92.8	Very high	63 Å²	63	54.2 Å²	54.2	38%	0.382	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	115.6	169.5	-179	0	0	0	0	109.1	K522 V523 W524 Y533	K522-V531 HydrophobicContact CB-CG1 4.41Å; V523-V531 CarbonylContact O-C 3.52Å; V523-V531 WeakPolarHBondContact O-CA 3.47Å; W524-V531 HydrophobicContact CD2-CG2 4.23Å; W524-V531 HydrophobicContact CG-CG2 4.34Å; W524-V531 HydrophobicContact CZ2-CG2 4.2Å; V531-Y533 WeakPolarHBondContact CG1-O 3.26Å
532	A	90.8	Very high	92.8	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-41.1	176.4	0	0	0	0	0	111.8	V523 D525 V530	V523-A532 PolarHBondContact O-N 3.49Å; D525-A532 HydrophobicContact CB-CB 4.3Å; V530-A532 PolarHBondContact O-N 3.04Å
533	Y	92.1	Very high	92.7	Very high	48 Å²	48	52.6 Å²	52.6	19%	0.188	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	161.2	172.4	52.9	-89.9	0	0	0	111.4	V523 V531 M535 R576	V523-Y533 HydrophobicContact CB-CD1 4.49Å; V523-Y533 HydrophobicContact CB-CD2 4.15Å; V523-Y533 HydrophobicContact CB-CE1 4.3Å; V523-Y533 HydrophobicContact CB-CE2 3.94Å; V523-Y533 HydrophobicContact CB-CG 4.42Å; V523-Y533 HydrophobicContact CG1-CE1 4.13Å; V523-Y533 HydrophobicContact CG1-CE2 4.35Å; V523-Y533 HydrophobicContact CG2-CD2 3.79Å; V523-Y533 HydrophobicContact CG2-CE2 3.39Å; V523-Y533 PolarHBondContact N-O 3.34Å; V531-Y533 WeakPolarHBondContact CG1-O 3.26Å; Y533-M535 HydrophobicContact CD2-CG 4.25Å; Y533-M535 HydrophobicContact CE2-CE 4.04Å; Y533-M535 HydrophobicContact CE2-CG 4.25Å; Y533-M535 HydrophobicContact CE2-SD 4.28Å; Y533-R576 PolarHBondContact OH-NH1 3.39Å
534	G	91.2	Very high	92.7	Very high	23 Å²	23	52.6 Å²	52.6	24%	0.237	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	158	167.3	0	0	0	0	0	111.5	L521	L521-G534 CarbonylContact O-C 3.52Å; L521-G534 WeakPolarHBondContact O-CA 3.43Å
535	M	93.8	Very high	92.8	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.02	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	98.6	175.4	-20.1	-177.1	72.5	0	0	107.6	L521 V523 Y533 W566 I568 R576	L521-M535 HydrophobicContact CB-CB 3.99Å; L521-M535 HydrophobicContact CB-CG 3.91Å; L521-M535 HydrophobicContact CB-SD 4.23Å; L521-M535 HydrophobicContact CD1-SD 4.32Å; L521-M535 PolarHBondContact N-O 2.91Å; L521-M535 VanDerWaalsContact N-O 3.15Å; L521-M535 PolarHBondContact O-N 3.21Å; V523-M535 HydrophobicContact CG2-CG 4.14Å; V523-M535 HydrophobicContact CG2-SD 4Å; Y533-M535 HydrophobicContact CD2-CG 4.25Å; Y533-M535 HydrophobicContact CE2-CE 4.04Å; Y533-M535 HydrophobicContact CE2-CG 4.25Å; Y533-M535 HydrophobicContact CE2-SD 4.28Å; M535-W566 HydrophobicContact CB-CD2 4.26Å; M535-W566 HydrophobicContact CB-CE3 3.63Å; M535-W566 HydrophobicContact CB-CH2 4.29Å; M535-W566 HydrophobicContact CB-CZ3 3.64Å; M535-W566 HydrophobicContact CE-CB 3.68Å; M535-W566 HydrophobicContact CE-CD2 4.4Å; M535-W566 HydrophobicContact CE-CE3 4.09Å; M535-W566 HydrophobicContact CE-CG 4.29Å; M535-W566 HydrophobicContact SD-CB 4.23Å; M535-W566 HydrophobicContact SD-CG 4.45Å; M535-I568 HydrophobicContact CE-CG2 4.1Å; M535-I568 HydrophobicContact SD-CG2 4.36Å; M535-R576 HydrophobicContact CE-CB 3.57Å; M535-R576 HydrophobicContact CE-CG 4.23Å
536	F	93	Very high	92.9	Very high	146 Å²	146	53.2 Å²	53.2	64%	0.64	29%	0.293	S	S	*	.			trans	-91.7	148.8	-168.8	-57.7	-88.7	0	0	0	111.8	D520 W566	D520-F536 HydrophobicContact CB-CD1 4.4Å; D520-F536 WeakPolarHBondContact OD1-CD1 3.34Å; D520-F536 VanDerWaalsContact OD2-CD1 3.31Å; D520-F536 WeakPolarHBondContact OD2-CD1 2.99Å; D520-F536 VanDerWaalsContact OD2-CE1 3.27Å; D520-F536 WeakPolarHBondContact OD2-CE1 3.45Å; F536-W566 WeakPolarHBondContact O-CH2 3.28Å
537	G	89.9	Confident	93.1	Very high	38 Å²	38	52.8 Å²	52.8	39%	0.392	29%	0.291	S	S	.	.			trans	138.3	-6.8	161	0	0	0	0	0	116.8	R564	G537-R564 PolarHBondContact O-NH1 2.84Å; G537-R564 PolarHBondContact O-NH2 2.86Å
538	H	95.5	Very high	93.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.056	26%	0.258	C	S	.	.			trans	-67.4	146.4	166.1	-81.3	-64.8	0	0	0	110.9	N519 S556 S558 D560 R564 W566	N519-H538 HydrophobicContact CB-CB 4.28Å; N519-H538 WeakPolarHBondContact O-CB 3.1Å; H538-S556 PolarHBondContact NE2-OG 3.29Å; H538-S558 PolarHBondContact CE1-OG 3.07Å; H538-S558 PolarHBondContact ND1-OG 3.48Å; H538-D560 WeakPolarHBondContact CA-OD2 3.43Å; H538-D560 IonicContact CG-OD2 3.17Å; H538-D560 IonicContact ND1-OD1 2.74Å; H538-D560 IonicContact ND1-OD2 3.84Å; H538-D560 PolarHBondContact ND1-OD2 2.8Å; H538-R564 WeakPolarHBondContact CE1-CD 3.38Å; H538-R564 PolarHBondContact CE1-NE 3.42Å; H538-R564 PolarHBondContact ND1-NE 2.73Å; H538-W566 AromaticContact CD2-CZ2 3.79Å; H538-W566 AromaticContact NE2-CZ2 3.83Å
539	V	94.2	Very high	93.2	Very high	112 Å²	112	38.6 Å²	38.6	68%	0.679	24%	0.24	S	C	*	.	S	Bend	trans	-101	-19.9	-174.2	-171.1	0	0	0	0	112.3	N519 D560	N519-V539 VanDerWaalsContact ND2-C 3.33Å; N519-V539 PolarHBondContact ND2-O 3.39Å; V539-D560 HydrophobicContact CB-CB 3.96Å; V539-D560 PolarHBondContact N-OD2 3.44Å; V539-D560 VanDerWaalsContact N-OD2 3.08Å
540	D	94	Very high	93.2	Very high	65 Å²	65	43.1 Å²	43.1	35%	0.348	26%	0.256	S	S	.	.	S	Bend	trans	-147.4	170.1	-179.5	-167	4.2	0	0	0	109.2	N519 M559 D560	N519-D540 WeakPolarHBondContact OD1-CA 3.16Å; N519-D540 PolarHBondContact OD1-O 2.54Å; D540-M559 HydrophobicContact CB-CB 4.22Å; D540-M559 VanDerWaalsContact OD2-CB 3.24Å; D540-M559 WeakPolarHBondContact OD2-CB 3.25Å; D540-D560 HydrophobicContact CB-CB 4.07Å
541	T	94.6	Very high	93.2	Very high	25 Å²	25	39.3 Å²	39.3	15%	0.153	24%	0.236	C	C	.	.			trans	-48.3	133.5	-167.5	57.7	0	0	0	0	113.8	I517 N519 S558 M559	I517-T541 HydrophobicContact CB-CG2 4.3Å; I517-T541 HydrophobicContact CG1-CG2 4.06Å; I517-T541 HydrophobicContact CG2-CG2 4.22Å; N519-T541 WeakPolarHBondContact OD1-CA 3.4Å; N519-T541 PolarHBondContact OD1-N 3.15Å; T541-S558 CarbonylContact O-C 3.58Å; T541-S558 WeakPolarHBondContact O-CA 3.32Å; T541-S558 WeakPolarHBondContact O-CB 3.43Å; T541-M559 PolarHBondContact O-N 2.79Å; T541-M559 WeakPolarHBondContact OG1-CG 3.14Å
542	V	96.2	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.1	172.1	176.2	0	0	0	0	108.5	T501 A502 G516 N519 L521 L545 N557	T501-V542 VanDerWaalsContact CB-O 3.31Å; T501-V542 WeakPolarHBondContact CB-O 3.49Å; T501-V542 PolarHBondContact OG1-O 3.29Å; A502-V542 HydrophobicContact CB-CG1 4.38Å; G516-V542 PolarHBondContact O-N 3Å; N519-V542 WeakPolarHBondContact O-CG2 3.38Å; L521-V542 HydrophobicContact CD2-CB 4.47Å; L521-V542 HydrophobicContact CD2-CG1 4.07Å; L521-V542 HydrophobicContact CD2-CG2 3.89Å; V542-L545 HydrophobicContact CG1-CD2 4.4Å; V542-L545 HydrophobicContact CG1-CG 4.41Å; V542-N557 CarbonylContact C-O 3.57Å; V542-N557 WeakPolarHBondContact CA-O 3.42Å; V542-N557 WeakPolarHBondContact CG1-O 3.32Å
543	T	94.6	Very high	93.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-24.5	-173.8	45.9	0	0	0	0	113.6	N557 S558 M559 L593 R594	T543-N557 PolarHBondContact N-O 3.33Å; T543-N557 VanDerWaalsContact OG1-C 3.29Å; T543-N557 PolarHBondContact OG1-ND2 3.19Å; T543-N557 PolarHBondContact OG1-O 2.72Å; T543-S558 PolarHBondContact OG1-N 2.74Å; T543-M559 HydrophobicContact CG2-CG 3.78Å; T543-M559 HydrophobicContact CG2-SD 3.8Å; T543-L593 WeakPolarHBondContact CB-O 3.5Å; T543-L593 PolarHBondContact OG1-O 3.34Å; T543-R594 PolarHBondContact O-NE 3.24Å; T543-R594 VanDerWaalsContact O-NE 3.09Å
544	G	94	Very high	93.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.3	179	0	0	0	0	0	112.7	S556 N557	G544-S556 WeakPolarHBondContact O-CA 3.19Å; G544-N557 PolarHBondContact O-N 3.27Å
545	L	96.9	Very high	94	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.8	174.3	-75.5	177	0	0	0	109.9	A502 T504 I513 L521 V542 V554 L555	A502-L545 HydrophobicContact CB-CB 4.09Å; A502-L545 HydrophobicContact CB-CD1 4.14Å; A502-L545 HydrophobicContact CB-CG 3.79Å; T504-L545 HydrophobicContact CG2-CB 3.64Å; I513-L545 HydrophobicContact CG2-CD1 4.1Å; L521-L545 HydrophobicContact CD1-CD2 4.08Å; L521-L545 HydrophobicContact CD2-CD1 4.49Å; L521-L545 HydrophobicContact CD2-CD2 3.84Å; V542-L545 HydrophobicContact CG1-CD2 4.4Å; V542-L545 HydrophobicContact CG1-CG 4.41Å; L545-V554 HydrophobicContact CD2-CG1 3.9Å; L545-L555 VanDerWaalsContact CA-O 3.28Å; L545-L555 WeakPolarHBondContact CA-O 3.28Å; L545-L555 VanDerWaalsContact CD2-O 3.31Å; L545-L555 WeakPolarHBondContact CD2-O 3.5Å
546	C	96.1	Very high	94.1	Very high	25 Å²	25	33.5 Å²	33.5	17%	0.169	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	129.6	176.1	-166.3	0	0	0	0	112.7	L555 C595 W597	C546-L555 HydrophobicContact CB-CB 4.23Å; C546-L555 HydrophobicContact CB-CD1 4.4Å; C546-L555 PolarHBondContact N-O 3.24Å; C546-L555 PolarHBondContact O-N 3.03Å; C546-C595 WeakPolarHBondContact CB-O 3.34Å; C546-W597 PolarHBondContact O-NE1 3.4Å
547	L	95.3	Very high	94.3	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.6	172.9	-81.6	176.7	0	0	0	111.9	R465 F505 V554 I568	R465-L547 HydrophobicContact CG-CD1 4.48Å; R465-L547 VanDerWaalsContact NH1-CB 3.35Å; F505-L547 VanDerWaalsContact O-CD1 3.24Å; F505-L547 WeakPolarHBondContact O-CD1 3.42Å; F505-L547 VanDerWaalsContact O-CD2 3.28Å; F505-L547 WeakPolarHBondContact O-CD2 3.46Å; F505-L547 VanDerWaalsContact O-CG 3.31Å; F505-L547 WeakPolarHBondContact O-CG 3.35Å; L547-V554 HydrophobicContact CD2-CG2 3.75Å; L547-I568 HydrophobicContact CD2-CD1 3.8Å
548	S	94.2	Very high	94.5	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	15%	0.145	C	C	.	.			trans	-57.5	152	165.5	56.1	0	0	0	0	111.7	R465 D550 G551 S552 H553	R465-S548 VanDerWaalsContact CZ-O 3.3Å; R465-S548 PolarHBondContact NH1-O 3.21Å; R465-S548 PolarHBondContact NH2-O 3.35Å; S548-D550 VanDerWaalsContact C-N 3.3Å; S548-D550 PolarHBondContact O-N 3.38Å; S548-G551 PolarHBondContact O-N 3.08Å; S548-G551 PolarHBondContact OG-N 3.35Å; S548-S552 PolarHBondContact OG-N 3.36Å; S548-H553 VanDerWaalsContact CB-O 3.25Å; S548-H553 WeakPolarHBondContact CB-O 3.37Å; S548-H553 PolarHBondContact N-O 2.81Å; S548-H553 WeakPolarHBondContact OG-CA 3.37Å; S548-H553 PolarHBondContact OG-N 3.1Å; S548-H553 PolarHBondContact OG-O 2.93Å
549	P	89.7	Confident	94.4	Very high	47 Å²	47	25.2 Å²	25.2	31%	0.305	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-46.3	175.5	20.8	-31.9	0	0	0	111.5	R465 G551 P599	R465-P549 PolarHBondContact NH2-O 3Å; P549-G551 PolarHBondContact O-N 3.17Å; P549-P599 WeakPolarHBondContact CB-O 3.39Å; P549-P599 WeakPolarHBondContact CG-O 3.36Å
550	D	89.1	Confident	94.4	Very high	130 Å²	130	21.3 Å²	21.3	70%	0.695	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.2	177.9	-61.5	-18.6	0	0	0	114.7	S548 S552	S548-D550 VanDerWaalsContact C-N 3.3Å; S548-D550 PolarHBondContact O-N 3.38Å; D550-S552 PolarHBondContact O-N 2.81Å
551	G	91.2	Very high	94.3	Very high	14 Å²	14	20.2 Å²	20.2	14%	0.144	12%	0.119	C	C	.	.	S	Bend	trans	74	4.2	-176.4	0	0	0	0	0	115.1	S548 P549 I568	S548-G551 PolarHBondContact O-N 3.08Å; S548-G551 PolarHBondContact OG-N 3.35Å; P549-G551 PolarHBondContact O-N 3.17Å; G551-I568 WeakPolarHBondContact O-CD1 3.49Å
552	S	92.8	Very high	94.3	Very high	25 Å²	25	19.4 Å²	19.4	18%	0.175	12%	0.115	C	C	.	.	S	Bend	trans	-76.6	-32.1	177.4	52.6	0	0	0	0	113.2	S548 D550 I568	S548-S552 PolarHBondContact OG-N 3.36Å; D550-S552 PolarHBondContact O-N 2.81Å; S552-I568 VanDerWaalsContact O-CG1 3.25Å; S552-I568 WeakPolarHBondContact O-CG1 3.36Å; S552-I568 PolarHBondContact O-N 3.46Å
553	H	95.3	Very high	94.4	Very high	42 Å²	42	19.4 Å²	19.4	19%	0.194	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.4	-173.4	-65	-59.3	0	0	0	113.9	S548 I565 W566 W597	S548-H553 VanDerWaalsContact CB-O 3.25Å; S548-H553 WeakPolarHBondContact CB-O 3.37Å; S548-H553 PolarHBondContact N-O 2.81Å; S548-H553 WeakPolarHBondContact OG-CA 3.37Å; S548-H553 PolarHBondContact OG-N 3.1Å; S548-H553 PolarHBondContact OG-O 2.93Å; H553-I565 HydrophobicContact CB-CG2 3.96Å; H553-W566 WeakPolarHBondContact CA-O 3.41Å; H553-W566 WeakPolarHBondContact CB-O 3.21Å; H553-W566 PolarHBondContact ND1-O 2.83Å; H553-W597 HydrophobicContact CB-CH2 3.96Å; H553-W597 HydrophobicContact CB-CZ2 3.82Å
554	V	96.2	Very high	94.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.9	171.5	167.8	0	0	0	0	109.9	I513 L545 L547 I565 W566 I568	I513-V554 HydrophobicContact CD1-CG2 3.89Å; L545-V554 HydrophobicContact CD2-CG1 3.9Å; L547-V554 HydrophobicContact CD2-CG2 3.75Å; V554-I565 WeakPolarHBondContact O-CA 3.37Å; V554-W566 PolarHBondContact N-O 2.7Å; V554-W566 VanDerWaalsContact N-O 3.08Å; V554-W566 PolarHBondContact O-N 3.17Å; V554-I568 HydrophobicContact CB-CG2 4.08Å; V554-I568 HydrophobicContact CG2-CD1 3.69Å; V554-I568 HydrophobicContact CG2-CG1 4.13Å; V554-I568 HydrophobicContact CG2-CG2 3.73Å
555	L	97.4	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.5	163.1	-78.5	166.9	0	0	0	110.7	L545 C546 V563 R564 I565 W597 V604	L545-L555 VanDerWaalsContact CA-O 3.28Å; L545-L555 WeakPolarHBondContact CA-O 3.28Å; L545-L555 VanDerWaalsContact CD2-O 3.31Å; L545-L555 WeakPolarHBondContact CD2-O 3.5Å; C546-L555 HydrophobicContact CB-CB 4.23Å; C546-L555 HydrophobicContact CB-CD1 4.4Å; C546-L555 PolarHBondContact N-O 3.24Å; C546-L555 PolarHBondContact O-N 3.03Å; L555-V563 HydrophobicContact CD2-CG1 3.66Å; L555-R564 CarbonylContact C-O 3.57Å; L555-R564 VanDerWaalsContact CA-O 3.29Å; L555-R564 WeakPolarHBondContact CA-O 3.25Å; L555-I565 HydrophobicContact CD2-CD1 4.47Å; L555-I565 HydrophobicContact CD2-CG1 3.68Å; L555-W597 VanDerWaalsContact CD1-CD1 3.45Å; L555-W597 HydrophobicContact CD1-CD2 3.87Å; L555-W597 HydrophobicContact CD1-CG 3.77Å; L555-W597 HydrophobicContact CD1-CZ2 4.38Å; L555-W597 HydrophobicContact CD2-CZ2 4.39Å; L555-W597 HydrophobicContact CG-CD2 4.2Å; L555-W597 VanDerWaalsContact CG-CE2 3.49Å; L555-W597 HydrophobicContact CG-CG 4.48Å; L555-W597 HydrophobicContact CG-CZ2 3.78Å; L555-W597 VanDerWaalsContact CG-NE1 3.33Å; L555-V604 HydrophobicContact CD1-CB 4.3Å; L555-V604 HydrophobicContact CD1-CG1 3.57Å; L555-V604 HydrophobicContact CD1-CG2 3.95Å; L555-V604 HydrophobicContact CD2-CB 4.42Å; L555-V604 HydrophobicContact CD2-CG1 3.69Å; L555-V604 HydrophobicContact CD2-CG2 3.83Å; L555-V604 HydrophobicContact CG-CG1 4.29Å; L555-V604 HydrophobicContact CG-CG2 4.38Å
556	S	96.8	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.1	155.9	51.2	0	0	0	0	110.7	H538 G544 V563 R564 W566	H538-S556 PolarHBondContact NE2-OG 3.29Å; G544-S556 WeakPolarHBondContact O-CA 3.19Å; S556-V563 CarbonylContact O-C 3.57Å; S556-V563 VanDerWaalsContact O-CA 3.29Å; S556-V563 WeakPolarHBondContact O-CA 3.4Å; S556-V563 WeakPolarHBondContact O-CG1 3.3Å; S556-R564 PolarHBondContact N-O 3.4Å; S556-R564 PolarHBondContact O-N 3.11Å; S556-W566 PolarHBondContact OG-NE1 3.46Å
557	N	95.4	Very high	94.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.6	163.6	-169.7	30.7	0	0	0	108.9	V542 T543 G544 V563 L593 C595	V542-N557 CarbonylContact C-O 3.57Å; V542-N557 WeakPolarHBondContact CA-O 3.42Å; V542-N557 WeakPolarHBondContact CG1-O 3.32Å; T543-N557 PolarHBondContact N-O 3.33Å; T543-N557 VanDerWaalsContact OG1-C 3.29Å; T543-N557 PolarHBondContact OG1-ND2 3.19Å; T543-N557 PolarHBondContact OG1-O 2.72Å; G544-N557 PolarHBondContact O-N 3.27Å; N557-V563 HydrophobicContact CB-CG2 4.37Å; N557-V563 VanDerWaalsContact OD1-CG2 3.29Å; N557-V563 WeakPolarHBondContact OD1-CG2 3.15Å; N557-L593 WeakPolarHBondContact ND2-CB 3.33Å; N557-L593 PolarHBondContact ND2-O 3.47Å; N557-C595 HydrophobicContact CB-CB 4.06Å
558	S	95	Very high	94.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	154.6	-173.8	43.6	0	0	0	0	112.8	H538 T541 T543 D560 C561 T562 H586	H538-S558 PolarHBondContact CE1-OG 3.07Å; H538-S558 PolarHBondContact ND1-OG 3.48Å; T541-S558 CarbonylContact O-C 3.58Å; T541-S558 WeakPolarHBondContact O-CA 3.32Å; T541-S558 WeakPolarHBondContact O-CB 3.43Å; T543-S558 PolarHBondContact OG1-N 2.74Å; S558-D560 PolarHBondContact O-N 2.83Å; S558-D560 VanDerWaalsContact O-N 3.11Å; S558-D560 PolarHBondContact OG-OD1 3.48Å; S558-C561 PolarHBondContact O-N 3.08Å; S558-T562 PolarHBondContact OG-O 3.31Å; S558-T562 VanDerWaalsContact OG-O 3.07Å; S558-H586 PolarHBondContact O-CD2 2.86Å; S558-H586 VanDerWaalsContact O-CD2 3.27Å
559	M	93.8	Very high	94.2	Very high	22 Å²	22	25.4 Å²	25.4	11%	0.108	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.9	179.9	-63.4	-57.8	-73.4	0	0	113.4	D540 T541 T543 C561 H586 N587 L593	D540-M559 HydrophobicContact CB-CB 4.22Å; D540-M559 VanDerWaalsContact OD2-CB 3.24Å; D540-M559 WeakPolarHBondContact OD2-CB 3.25Å; T541-M559 PolarHBondContact O-N 2.79Å; T541-M559 WeakPolarHBondContact OG1-CG 3.14Å; T543-M559 HydrophobicContact CG2-CG 3.78Å; T543-M559 HydrophobicContact CG2-SD 3.8Å; M559-C561 PolarHBondContact O-N 3.43Å; M559-H586 HydrophobicContact CE-CB 4Å; M559-H586 HydrophobicContact SD-CB 4.3Å; M559-N587 WeakPolarHBondContact CE-O 3.38Å; M559-L593 HydrophobicContact SD-CD1 4.34Å
560	D	93.1	Very high	94.1	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.16	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	6.6	172.3	77.9	-4.4	0	0	0	115	H538 V539 D540 S558 T562 R564	H538-D560 WeakPolarHBondContact CA-OD2 3.43Å; H538-D560 IonicContact CG-OD2 3.17Å; H538-D560 IonicContact ND1-OD1 2.74Å; H538-D560 IonicContact ND1-OD2 3.84Å; H538-D560 PolarHBondContact ND1-OD2 2.8Å; V539-D560 HydrophobicContact CB-CB 3.96Å; V539-D560 PolarHBondContact N-OD2 3.44Å; V539-D560 VanDerWaalsContact N-OD2 3.08Å; D540-D560 HydrophobicContact CB-CB 4.07Å; S558-D560 PolarHBondContact O-N 2.83Å; S558-D560 VanDerWaalsContact O-N 3.11Å; S558-D560 PolarHBondContact OG-OD1 3.48Å; D560-T562 VanDerWaalsContact C-N 3.26Å; D560-T562 VanDerWaalsContact CG-OG1 3.28Å; D560-T562 PolarHBondContact O-N 3.33Å; D560-T562 WeakPolarHBondContact OD1-CB 3.46Å; D560-T562 PolarHBondContact OD1-N 2.97Å; D560-T562 PolarHBondContact OD1-OG1 2.66Å; D560-T562 PolarHBondContact OD2-OG1 2.88Å; D560-R564 IonicContact OD2-CZ 2.84Å; D560-R564 IonicContact OD2-NH2 2.72Å; D560-R564 PolarHBondContact OD2-NH2 2.83Å
561	C	93.2	Very high	93.8	Very high	41 Å²	41	31.6 Å²	31.6	28%	0.277	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	30.5	-179.5	-57	0	0	0	0	113.4	S558 M559 N584 H586	S558-C561 PolarHBondContact O-N 3.08Å; M559-C561 PolarHBondContact O-N 3.43Å; C561-N584 PolarHBondContact O-OD1 2.92Å; C561-H586 PolarHBondContact SG-N 2.91Å
562	T	94.9	Very high	93.4	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.9	171.9	74.6	0	0	0	0	111.8	S558 D560 R564 V580 L581 Q582	S558-T562 PolarHBondContact OG-O 3.31Å; S558-T562 VanDerWaalsContact OG-O 3.07Å; D560-T562 VanDerWaalsContact C-N 3.26Å; D560-T562 VanDerWaalsContact CG-OG1 3.28Å; D560-T562 PolarHBondContact O-N 3.33Å; D560-T562 WeakPolarHBondContact OD1-CB 3.46Å; D560-T562 PolarHBondContact OD1-N 2.97Å; D560-T562 PolarHBondContact OD1-OG1 2.66Å; D560-T562 PolarHBondContact OD2-OG1 2.88Å; T562-R564 PolarHBondContact OG1-NE 3.49Å; T562-V580 HydrophobicContact CG2-CG1 3.95Å; T562-L581 WeakPolarHBondContact CA-O 3.08Å; T562-Q582 HydrophobicContact CG2-CG 4.24Å
563	V	96.4	Very high	93	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	165.9	174.4	0	0	0	0	107	L555 S556 N557 L581 V604 A606 W616	L555-V563 HydrophobicContact CD2-CG1 3.66Å; S556-V563 CarbonylContact O-C 3.57Å; S556-V563 VanDerWaalsContact O-CA 3.29Å; S556-V563 WeakPolarHBondContact O-CA 3.4Å; S556-V563 WeakPolarHBondContact O-CG1 3.3Å; N557-V563 HydrophobicContact CB-CG2 4.37Å; N557-V563 VanDerWaalsContact OD1-CG2 3.29Å; N557-V563 WeakPolarHBondContact OD1-CG2 3.15Å; V563-L581 HydrophobicContact CB-CB 4.15Å; V563-L581 HydrophobicContact CB-CD1 4.39Å; V563-L581 HydrophobicContact CG1-CD1 4.12Å; V563-L581 PolarHBondContact N-O 3.14Å; V563-L581 WeakPolarHBondContact O-CA 3.39Å; V563-L581 VanDerWaalsContact O-CB 3.29Å; V563-L581 WeakPolarHBondContact O-CB 3.48Å; V563-L581 PolarHBondContact O-N 3.43Å; V563-V604 HydrophobicContact CG1-CG1 3.96Å; V563-A606 HydrophobicContact CG2-CB 3.88Å; V563-W616 HydrophobicContact CG2-CH2 3.92Å; V563-W616 HydrophobicContact CG2-CZ3 4.22Å
564	R	96.7	Very high	92.3	Very high	29 Å²	29	42 Å²	42	11%	0.109	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.8	-169.7	-61.5	-170.8	-165	-165.9	16.6	112.7	G537 H538 L555 S556 D560 T562 W566 R579 V580	G537-R564 PolarHBondContact O-NH1 2.84Å; G537-R564 PolarHBondContact O-NH2 2.86Å; H538-R564 WeakPolarHBondContact CE1-CD 3.38Å; H538-R564 PolarHBondContact CE1-NE 3.42Å; H538-R564 PolarHBondContact ND1-NE 2.73Å; L555-R564 CarbonylContact C-O 3.57Å; L555-R564 VanDerWaalsContact CA-O 3.29Å; L555-R564 WeakPolarHBondContact CA-O 3.25Å; S556-R564 PolarHBondContact N-O 3.4Å; S556-R564 PolarHBondContact O-N 3.11Å; D560-R564 IonicContact OD2-CZ 2.84Å; D560-R564 IonicContact OD2-NH2 2.72Å; D560-R564 PolarHBondContact OD2-NH2 2.83Å; T562-R564 PolarHBondContact OG1-NE 3.49Å; R564-W566 HydrophobicContact CB-CZ2 4.12Å; R564-R579 WeakPolarHBondContact CA-O 3.39Å; R564-V580 HydrophobicContact CG-CB 4.5Å; R564-V580 HydrophobicContact CG-CG1 4.18Å; R564-V580 HydrophobicContact CG-CG2 4.19Å
565	I	96.9	Very high	91.9	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.5	177.4	-59.3	174.7	0	0	0	108.5	H553 V554 L555 V578 R579 L581 W597 V604 V618	H553-I565 HydrophobicContact CB-CG2 3.96Å; V554-I565 WeakPolarHBondContact O-CA 3.37Å; L555-I565 HydrophobicContact CD2-CD1 4.47Å; L555-I565 HydrophobicContact CD2-CG1 3.68Å; I565-V578 PolarHBondContact O-N 3.24Å; I565-R579 HydrophobicContact CB-CB 4.09Å; I565-R579 HydrophobicContact CD1-CB 4.17Å; I565-R579 HydrophobicContact CG1-CB 4.38Å; I565-R579 PolarHBondContact N-O 2.76Å; I565-R579 PolarHBondContact O-N 3.48Å; I565-L581 HydrophobicContact CD1-CD1 4.42Å; I565-W597 HydrophobicContact CD1-CH2 4.07Å; I565-W597 HydrophobicContact CG1-CH2 4.25Å; I565-W597 HydrophobicContact CG2-CH2 3.86Å; I565-W597 HydrophobicContact CG2-CZ2 4.17Å; I565-V604 HydrophobicContact CD1-CG2 4.43Å; I565-V618 HydrophobicContact CD1-CB 4.45Å; I565-V618 HydrophobicContact CD1-CG1 3.86Å; I565-V618 HydrophobicContact CD1-CG2 4.14Å
566	W	96.1	Very high	91.7	Very high	3 Å²	3	49 Å²	49	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.8	-174.1	-57.6	91.7	0	0	0	111.7	L521 M535 F536 H538 H553 V554 S556 R564 R576 C577	L521-W566 HydrophobicContact CD1-CD2 4.18Å; L521-W566 HydrophobicContact CD1-CG 4.15Å; L521-W566 HydrophobicContact CD1-CZ2 4.32Å; M535-W566 HydrophobicContact CB-CD2 4.26Å; M535-W566 HydrophobicContact CB-CE3 3.63Å; M535-W566 HydrophobicContact CB-CH2 4.29Å; M535-W566 HydrophobicContact CB-CZ3 3.64Å; M535-W566 HydrophobicContact CE-CB 3.68Å; M535-W566 HydrophobicContact CE-CD2 4.4Å; M535-W566 HydrophobicContact CE-CE3 4.09Å; M535-W566 HydrophobicContact CE-CG 4.29Å; M535-W566 HydrophobicContact SD-CB 4.23Å; M535-W566 HydrophobicContact SD-CG 4.45Å; F536-W566 WeakPolarHBondContact O-CH2 3.28Å; H538-W566 AromaticContact CD2-CZ2 3.79Å; H538-W566 AromaticContact NE2-CZ2 3.83Å; H553-W566 WeakPolarHBondContact CA-O 3.41Å; H553-W566 WeakPolarHBondContact CB-O 3.21Å; H553-W566 PolarHBondContact ND1-O 2.83Å; V554-W566 PolarHBondContact N-O 2.7Å; V554-W566 VanDerWaalsContact N-O 3.08Å; V554-W566 PolarHBondContact O-N 3.17Å; S556-W566 PolarHBondContact OG-NE1 3.46Å; R564-W566 HydrophobicContact CB-CZ2 4.12Å; W566-R576 CarbonylContact C-O 3.58Å; W566-R576 VanDerWaalsContact CA-O 3.3Å; W566-R576 WeakPolarHBondContact CA-O 3.2Å; W566-C577 HydrophobicContact CE3-CB 3.8Å; W566-C577 HydrophobicContact CH2-CB 4.11Å; W566-C577 HydrophobicContact CZ3-CB 3.57Å
567	D	94.5	Very high	91.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.5	173.8	-166.7	-10.7	0	0	0	111	R569 A572 R576 V578	D567-R569 VanDerWaalsContact OD1-CB 3.26Å; D567-R569 WeakPolarHBondContact OD1-CB 3.24Å; D567-R569 VanDerWaalsContact OD1-CG 3.24Å; D567-R569 WeakPolarHBondContact OD1-CG 3.2Å; D567-R569 IonicContact OD1-CZ 2.63Å; D567-R569 PolarHBondContact OD1-N 2.77Å; D567-R569 VanDerWaalsContact OD1-N 3.09Å; D567-R569 IonicContact OD1-NE 3.67Å; D567-R569 PolarHBondContact OD1-NE 3.19Å; D567-R569 IonicContact OD1-NH2 2.83Å; D567-R569 IonicContact OD2-CZ 3.83Å; D567-R569 IonicContact OD2-NE 2.74Å; D567-R569 PolarHBondContact OD2-NE 3.24Å; D567-R569 IonicContact OD2-NH2 3.61Å; D567-R569 PolarHBondContact OD2-NH2 3.02Å; D567-A572 HydrophobicContact CB-CB 3.85Å; D567-A572 VanDerWaalsContact CG-CB 3.43Å; D567-A572 WeakPolarHBondContact OD2-CB 3.48Å; D567-R576 PolarHBondContact N-O 2.85Å; D567-R576 WeakPolarHBondContact O-CD 3.25Å; D567-R576 PolarHBondContact O-NH1 2.85Å; D567-V578 HydrophobicContact CB-CG2 3.76Å
568	I	92.8	Very high	91.2	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.282	C	S	.	.			trans	-103.4	5.5	-177.6	59	154.1	0	0	0	112.6	N506 I513 M535 L547 G551 S552 V554	N506-I568 WeakPolarHBondContact OD1-CD1 3.44Å; I513-I568 HydrophobicContact CD1-CB 4.22Å; I513-I568 HydrophobicContact CD1-CD1 4.38Å; I513-I568 HydrophobicContact CD1-CG2 3.51Å; M535-I568 HydrophobicContact CE-CG2 4.1Å; M535-I568 HydrophobicContact SD-CG2 4.36Å; L547-I568 HydrophobicContact CD2-CD1 3.8Å; G551-I568 WeakPolarHBondContact O-CD1 3.49Å; S552-I568 VanDerWaalsContact O-CG1 3.25Å; S552-I568 WeakPolarHBondContact O-CG1 3.36Å; S552-I568 PolarHBondContact O-N 3.46Å; V554-I568 HydrophobicContact CB-CG2 4.08Å; V554-I568 HydrophobicContact CG2-CD1 3.69Å; V554-I568 HydrophobicContact CG2-CG1 4.13Å; V554-I568 HydrophobicContact CG2-CG2 3.73Å
569	R	91.5	Very high	91.1	Very high	129 Å²	129	56.3 Å²	56.3	49%	0.487	29%	0.291	S	S	.	.	S	Bend	trans	-62.4	149.8	173.3	-61.7	177.3	-64.9	171.7	3.1	109.9	D567 F571 A572 R576	D567-R569 VanDerWaalsContact OD1-CB 3.26Å; D567-R569 WeakPolarHBondContact OD1-CB 3.24Å; D567-R569 VanDerWaalsContact OD1-CG 3.24Å; D567-R569 WeakPolarHBondContact OD1-CG 3.2Å; D567-R569 IonicContact OD1-CZ 2.63Å; D567-R569 PolarHBondContact OD1-N 2.77Å; D567-R569 VanDerWaalsContact OD1-N 3.09Å; D567-R569 IonicContact OD1-NE 3.67Å; D567-R569 PolarHBondContact OD1-NE 3.19Å; D567-R569 IonicContact OD1-NH2 2.83Å; D567-R569 IonicContact OD2-CZ 3.83Å; D567-R569 IonicContact OD2-NE 2.74Å; D567-R569 PolarHBondContact OD2-NE 3.24Å; D567-R569 IonicContact OD2-NH2 3.61Å; D567-R569 PolarHBondContact OD2-NH2 3.02Å; R569-F571 VanDerWaalsContact C-N 3.35Å; R569-F571 PolarHBondContact O-N 2.76Å; R569-A572 PolarHBondContact O-N 3.39Å; R569-R576 PolarHBondContact O-NH1 2.89Å
570	P	86.5	Confident	91.2	Very high	104 Å²	104	57.6 Å²	57.6	68%	0.675	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-49	179.9	-27.5	35.4	0	0	0	112.4	A572 R576	P570-A572 PolarHBondContact O-N 2.87Å; P570-R576 PolarHBondContact O-NH2 3.42Å
571	F	83.9	Confident	91.3	Very high	204 Å²	204	56.2 Å²	56.2	90%	0.895	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	44.5	-176	-51.8	-71.7	0	0	0	113.6	R569	R569-F571 VanDerWaalsContact C-N 3.35Å; R569-F571 PolarHBondContact O-N 2.76Å
572	A	82.8	Confident	91.2	Very high	18 Å²	18	60.4 Å²	60.4	15%	0.149	31%	0.308	C	S	.	.			trans	-81.4	157.8	171.7	0	0	0	0	0	111.5	D567 R569 P570 R576	D567-A572 HydrophobicContact CB-CB 3.85Å; D567-A572 VanDerWaalsContact CG-CB 3.43Å; D567-A572 WeakPolarHBondContact OD2-CB 3.48Å; R569-A572 PolarHBondContact O-N 3.39Å; P570-A572 PolarHBondContact O-N 2.87Å; A572-R576 HydrophobicContact CB-CG 4.22Å; A572-R576 VanDerWaalsContact CB-NH1 3.33Å
573	P	84.2	Confident	90.7	Very high	84 Å²	84	61.8 Å²	61.8	55%	0.545	33%	0.325	S	S	.	.			trans	-63.6	163.4	171.5	28.7	-37	0	0	0	112.5	V575 R576	P573-V575 VanDerWaalsContact C-N 3.35Å; P573-V575 PolarHBondContact O-N 2.93Å; P573-R576 WeakPolarHBondContact O-CG 3.21Å
574	E	80.8	Confident	90.3	Very high	198 Å²	198	62 Å²	62	93%	0.925	33%	0.326	S	S	*	.	S	Bend	trans	-55.4	-46.8	179	-60.8	-178.6	160.2	0	0	112.3	R576	E574-R576 PolarHBondContact O-N 3.16Å
575	V	86.9	Confident	89.9	Confident	115 Å²	115	66.1 Å²	66.1	70%	0.697	35%	0.346	S	S	*	.			trans	-79.3	87.5	171	-176.3	0	0	0	0	108.8	P573 C577	P573-V575 VanDerWaalsContact C-N 3.35Å; P573-V575 PolarHBondContact O-N 2.93Å; V575-C577 PolarHBondContact O-N 3.24Å
576	R	92.9	Very high	89.5	Confident	32 Å²	32	67 Å²	67	12%	0.121	35%	0.35	C	S	.	.			trans	-73.5	-6.4	-179.2	-66.4	-177.5	171.8	-101.3	-1.8	114.7	Y533 M535 W566 D567 R569 P570 A572 P573 E574 V578	Y533-R576 PolarHBondContact OH-NH1 3.39Å; M535-R576 HydrophobicContact CE-CB 3.57Å; M535-R576 HydrophobicContact CE-CG 4.23Å; W566-R576 CarbonylContact C-O 3.58Å; W566-R576 VanDerWaalsContact CA-O 3.3Å; W566-R576 WeakPolarHBondContact CA-O 3.2Å; D567-R576 PolarHBondContact N-O 2.85Å; D567-R576 WeakPolarHBondContact O-CD 3.25Å; D567-R576 PolarHBondContact O-NH1 2.85Å; R569-R576 PolarHBondContact O-NH1 2.89Å; P570-R576 PolarHBondContact O-NH2 3.42Å; A572-R576 HydrophobicContact CB-CG 4.22Å; A572-R576 VanDerWaalsContact CB-NH1 3.33Å; P573-R576 WeakPolarHBondContact O-CG 3.21Å; E574-R576 PolarHBondContact O-N 3.16Å; R576-V578 PolarHBondContact O-N 3.5Å
577	C	91.6	Very high	88.9	Confident	33 Å²	33	70.5 Å²	70.5	22%	0.223	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	108.3	174.5	-166.7	0	0	0	0	109.7	W566 V575	W566-C577 HydrophobicContact CE3-CB 3.8Å; W566-C577 HydrophobicContact CH2-CB 4.11Å; W566-C577 HydrophobicContact CZ3-CB 3.57Å; V575-C577 PolarHBondContact O-N 3.24Å
578	V	91.1	Very high	87.9	Confident	71 Å²	71	80.3 Å²	80.3	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-40.1	-176.5	-166.1	0	0	0	0	111.1	I565 D567 R576	I565-V578 PolarHBondContact O-N 3.24Å; D567-V578 HydrophobicContact CB-CG2 3.76Å; R576-V578 PolarHBondContact O-N 3.5Å
579	R	93.6	Very high	87	Confident	49 Å²	49	84.6 Å²	84.6	19%	0.185	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.3	-174.5	-53.9	179.9	162.7	-95.6	-7.3	111	R564 I565 V618 M619 Q621	R564-R579 WeakPolarHBondContact CA-O 3.39Å; I565-R579 HydrophobicContact CB-CB 4.09Å; I565-R579 HydrophobicContact CD1-CB 4.17Å; I565-R579 HydrophobicContact CG1-CB 4.38Å; I565-R579 PolarHBondContact N-O 2.76Å; I565-R579 PolarHBondContact O-N 3.48Å; R579-V618 WeakPolarHBondContact CD-O 3.41Å; R579-V618 PolarHBondContact NE-O 3.49Å; R579-V618 PolarHBondContact NH1-O 2.85Å; R579-M619 PolarHBondContact NH1-O 3.04Å; R579-M619 PolarHBondContact NH2-O 3.22Å; R579-M619 PolarHBondContact NH2-SD 3.39Å; R579-Q621 VanDerWaalsContact NH1-CG 3.34Å
580	V	94.8	Very high	85.9	Confident	49 Å²	49	86.7 Å²	86.7	30%	0.297	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.5	170.9	-175.4	0	0	0	0	107.5	T562 R564 Q582	T562-V580 HydrophobicContact CG2-CG1 3.95Å; R564-V580 HydrophobicContact CG-CB 4.5Å; R564-V580 HydrophobicContact CG-CG1 4.18Å; R564-V580 HydrophobicContact CG-CG2 4.19Å; V580-Q582 HydrophobicContact CG1-CG 4.02Å
581	L	94.9	Very high	85.9	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.5	173.1	-51.8	173.5	0	0	0	108	T562 V563 I565 V604 W616 Q621	T562-L581 WeakPolarHBondContact CA-O 3.08Å; V563-L581 HydrophobicContact CB-CB 4.15Å; V563-L581 HydrophobicContact CB-CD1 4.39Å; V563-L581 HydrophobicContact CG1-CD1 4.12Å; V563-L581 PolarHBondContact N-O 3.14Å; V563-L581 WeakPolarHBondContact O-CA 3.39Å; V563-L581 VanDerWaalsContact O-CB 3.29Å; V563-L581 WeakPolarHBondContact O-CB 3.48Å; V563-L581 PolarHBondContact O-N 3.43Å; I565-L581 HydrophobicContact CD1-CD1 4.42Å; L581-V604 HydrophobicContact CD1-CB 4.04Å; L581-V604 HydrophobicContact CD1-CG1 4.1Å; L581-V604 HydrophobicContact CD1-CG2 4.09Å; L581-W616 HydrophobicContact CB-CD2 4.26Å; L581-W616 HydrophobicContact CB-CG 4.14Å; L581-W616 HydrophobicContact CD1-CB 3.96Å; L581-W616 HydrophobicContact CD1-CD2 4.25Å; L581-W616 HydrophobicContact CD1-CG 4.04Å; L581-W616 HydrophobicContact CD2-CB 4.2Å; L581-W616 HydrophobicContact CD2-CG 4.32Å; L581-W616 HydrophobicContact CG-CG 4.4Å; L581-Q621 HydrophobicContact CD2-CB 3.82Å; L581-Q621 HydrophobicContact CD2-CG 4.12Å
582	Q	91.2	Very high	86.1	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	167.4	-174.8	-62.9	-172.4	-25.3	0	0	111.3	T562 V580 W616	T562-Q582 HydrophobicContact CG2-CG 4.24Å; V580-Q582 HydrophobicContact CG1-CG 4.02Å; Q582-W616 PolarHBondContact O-NE1 3.31Å
583	G	84.9	Confident	86.7	Confident	39 Å²	39	75 Å²	75	40%	0.402	38%	0.383	S	S	.	.			trans	102.4	-6.3	171.2	0	0	0	0	0	115	Y614	G583-Y614 WeakPolarHBondContact O-CE1 3.34Å; G583-Y614 PolarHBondContact O-OH 3.16Å
584	N	88.3	Confident	87.2	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.027	36%	0.358	C	S	.	.			trans	-57.1	148.7	144	50.9	-46.7	0	0	0	109.5	C561 H586 Y614 W616	C561-N584 PolarHBondContact O-OD1 2.92Å; N584-H586 PolarHBondContact ND2-NE2 3.37Å; N584-Y614 HydrophobicContact CB-CD2 4.15Å; N584-Y614 HydrophobicContact CB-CE2 4.22Å; N584-Y614 HydrophobicContact CB-CG 4.34Å; N584-W616 HydrophobicContact CB-CH2 3.97Å; N584-W616 HydrophobicContact CB-CZ2 3.95Å; N584-W616 WeakPolarHBondContact OD1-CZ2 3.41Å
585	Q	87.9	Confident	87.8	Confident	114 Å²	114	62 Å²	62	53%	0.533	32%	0.315	S	S	.	.			trans	-127	147.6	168.4	-28.9	-174	-120.2	0	0	108.5	S608 D610	Q585-S608 PolarHBondContact O-OG 3.24Å; Q585-D610 WeakPolarHBondContact CB-OD2 3.45Å; Q585-D610 WeakPolarHBondContact CG-OD2 3.19Å
586	H	87.6	Confident	88.2	Confident	23 Å²	23	56.6 Å²	56.6	11%	0.106	28%	0.282	C	S	.	.			trans	-125.7	140	179.4	-60.5	-52.4	0	0	0	109.9	S558 M559 C561 N584 L593 S609	S558-H586 PolarHBondContact O-CD2 2.86Å; S558-H586 VanDerWaalsContact O-CD2 3.27Å; M559-H586 HydrophobicContact CE-CB 4Å; M559-H586 HydrophobicContact SD-CB 4.3Å; C561-H586 PolarHBondContact SG-N 2.91Å; N584-H586 PolarHBondContact ND2-NE2 3.37Å; H586-L593 WeakPolarHBondContact CE1-CD1 3.34Å; H586-L593 WeakPolarHBondContact ND1-CD1 3.31Å; H586-S609 VanDerWaalsContact CA-OG 3.31Å; H586-S609 WeakPolarHBondContact CA-OG 3.41Å
587	N	84.4	Confident	88.4	Confident	75 Å²	75	56.2 Å²	56.2	40%	0.401	28%	0.281	S	S	.	.			trans	-105.8	-179.8	-178.1	-60.5	-57.3	0	0	0	108.6	M559 E589 S609 D610	M559-N587 WeakPolarHBondContact CE-O 3.38Å; N587-E589 PolarHBondContact O-N 3.39Å; N587-S609 PolarHBondContact N-OG 3.08Å; N587-S609 PolarHBondContact ND2-O 2.87Å; N587-S609 PolarHBondContact ND2-OG 3.2Å; N587-D610 PolarHBondContact ND2-OD1 3.27Å
588	F	74	Confident	88.3	Confident	211 Å²	211	54.9 Å²	54.9	93%	0.925	27%	0.272	S	S	*	.	S	Bend	trans	-67.6	-0.1	180	-54.4	-74.2	0	0	0	114.9	K590	F588-K590 PolarHBondContact O-N 2.73Å; F588-K590 VanDerWaalsContact O-N 3.11Å
589	E	72.4	Confident	88	Confident	94 Å²	94	54.2 Å²	54.2	44%	0.439	27%	0.269	S	S	.	.			trans	-70.8	95.1	172	-67.8	178.6	177	0	0	110.6	N587 N591	N587-E589 PolarHBondContact O-N 3.39Å; E589-N591 PolarHBondContact O-N 2.86Å
590	K	68.7	Low	87.2	Confident	173 Å²	173	55.2 Å²	55.2	75%	0.752	28%	0.278	S	S	*	.			trans	-77.1	48.6	-177.9	-62.5	-166.3	174.9	-164.9	0	114.1	F588	F588-K590 PolarHBondContact O-N 2.73Å; F588-K590 VanDerWaalsContact O-N 3.11Å
591	N	86.4	Confident	86.7	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.214	27%	0.271	C	S	.	.			trans	-79.7	150.7	171.3	-74.9	-14.1	0	0	0	110.6	E589 L593 S633	E589-N591 PolarHBondContact O-N 2.86Å; N591-L593 VanDerWaalsContact C-N 3.34Å; N591-L593 HydrophobicContact CB-CD2 4.23Å; N591-L593 WeakPolarHBondContact O-CG 3.48Å; N591-L593 PolarHBondContact O-N 2.82Å; N591-S633 PolarHBondContact ND2-OG 2.88Å
592	L	89.4	Confident	86.1	Confident	41 Å²	41	57.6 Å²	57.6	22%	0.215	29%	0.293	C	S	.	.			trans	-80.9	79.4	-178.1	-64	-179.6	0	0	0	111	N459 T501 R594	N459-L592 HydrophobicContact CB-CD1 3.84Å; T501-L592 HydrophobicContact CG2-CD2 3.95Å; L592-R594 PolarHBondContact O-N 2.93Å
593	L	94.3	Very high	85.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.			trans	-67.1	111	-178	-48.1	177.4	0	0	0	111.6	T543 N557 M559 H586 N591 V634	T543-L593 WeakPolarHBondContact CB-O 3.5Å; T543-L593 PolarHBondContact OG1-O 3.34Å; N557-L593 WeakPolarHBondContact ND2-CB 3.33Å; N557-L593 PolarHBondContact ND2-O 3.47Å; M559-L593 HydrophobicContact SD-CD1 4.34Å; H586-L593 WeakPolarHBondContact CE1-CD1 3.34Å; H586-L593 WeakPolarHBondContact ND1-CD1 3.31Å; N591-L593 VanDerWaalsContact C-N 3.34Å; N591-L593 HydrophobicContact CB-CD2 4.23Å; N591-L593 WeakPolarHBondContact O-CG 3.48Å; N591-L593 PolarHBondContact O-N 2.82Å; L593-V634 VanDerWaalsContact CD2-O 3.28Å; L593-V634 WeakPolarHBondContact CD2-O 3.41Å
594	R	94.8	Very high	86.4	Confident	6 Å²	6	50 Å²	50	2%	0.023	25%	0.246	C	C	.	.			trans	-87.5	163.4	-178.9	-57	-70.2	155	70	-10.9	112.6	M417 E418 N459 T543 L592 G607 N635 E636	M417-R594 PolarHBondContact O-NH1 3.02Å; E418-R594 IonicContact OE2-NH1 2.73Å; N459-R594 PolarHBondContact O-NH2 3.34Å; T543-R594 PolarHBondContact O-NE 3.24Å; T543-R594 VanDerWaalsContact O-NE 3.09Å; L592-R594 PolarHBondContact O-N 2.93Å; R594-G607 PolarHBondContact O-N 3.34Å; R594-N635 PolarHBondContact N-O 3.34Å; R594-E636 HydrophobicContact CB-CB 4.21Å; R594-E636 HydrophobicContact CB-CG 4.08Å
595	C	94.7	Very high	86.7	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159	178.6	60.8	0	0	0	0	111.3	C546 N557 S605 A606	C546-C595 WeakPolarHBondContact CB-O 3.34Å; N557-C595 HydrophobicContact CB-CB 4.06Å; C595-S605 CarbonylContact C-O 3.54Å; C595-S605 VanDerWaalsContact CA-O 3.22Å; C595-S605 WeakPolarHBondContact CA-O 3.25Å; C595-S605 VanDerWaalsContact CB-O 3.28Å; C595-S605 WeakPolarHBondContact CB-O 3.39Å; C595-A606 HydrophobicContact CB-CB 3.83Å
596	S	95.5	Very high	87	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.5	-176.9	48.5	0	0	0	0	112.3	V604 S605 T637	S596-V604 WeakPolarHBondContact O-CA 3.34Å; S596-S605 PolarHBondContact N-O 2.88Å; S596-S605 PolarHBondContact O-N 2.82Å; S596-S605 PolarHBondContact OG-OG 2.97Å; S596-T637 WeakPolarHBondContact CB-O 3.34Å; S596-T637 PolarHBondContact OG-O 3.06Å; S596-T637 PolarHBondContact OG-OG1 3.36Å
597	W	95.1	Very high	87.2	Confident	24 Å²	24	43.3 Å²	43.3	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	148.1	164.9	-67.8	88.3	0	0	0	110.6	C546 H553 L555 I565 G601 V604 V618 F639	C546-W597 PolarHBondContact O-NE1 3.4Å; H553-W597 HydrophobicContact CB-CH2 3.96Å; H553-W597 HydrophobicContact CB-CZ2 3.82Å; L555-W597 VanDerWaalsContact CD1-CD1 3.45Å; L555-W597 HydrophobicContact CD1-CD2 3.87Å; L555-W597 HydrophobicContact CD1-CG 3.77Å; L555-W597 HydrophobicContact CD1-CZ2 4.38Å; L555-W597 HydrophobicContact CD2-CZ2 4.39Å; L555-W597 HydrophobicContact CG-CD2 4.2Å; L555-W597 VanDerWaalsContact CG-CE2 3.49Å; L555-W597 HydrophobicContact CG-CG 4.48Å; L555-W597 HydrophobicContact CG-CZ2 3.78Å; L555-W597 VanDerWaalsContact CG-NE1 3.33Å; I565-W597 HydrophobicContact CD1-CH2 4.07Å; I565-W597 HydrophobicContact CG1-CH2 4.25Å; I565-W597 HydrophobicContact CG2-CH2 3.86Å; I565-W597 HydrophobicContact CG2-CZ2 4.17Å; W597-G601 WeakPolarHBondContact CZ3-O 3.21Å; W597-V604 HydrophobicContact CE3-CG2 4.28Å; W597-V604 HydrophobicContact CZ3-CG2 4.46Å; W597-V618 HydrophobicContact CE3-CG2 4.29Å; W597-V618 HydrophobicContact CZ3-CG1 4.47Å; W597-V618 HydrophobicContact CZ3-CG2 3.76Å; W597-F639 VanDerWaalsContact C-CD2 3.49Å; W597-F639 WeakPolarHBondContact O-CD2 3.31Å
598	S	90	Very high	87.6	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.035	20%	0.196	C	C	.	.			trans	-67.3	151.1	159.8	62.7	0	0	0	0	110.7	D600 G601 N602 R603	S598-D600 PolarHBondContact O-N 3.46Å; S598-G601 PolarHBondContact O-N 3.5Å; S598-G601 PolarHBondContact OG-N 3.16Å; S598-N602 PolarHBondContact OG-N 3.07Å; S598-R603 PolarHBondContact N-O 2.83Å; S598-R603 PolarHBondContact OG-N 3.01Å; S598-R603 PolarHBondContact OG-O 3.48Å
599	P	84.7	Confident	88.4	Confident	56 Å²	56	29.9 Å²	29.9	36%	0.364	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.9	177.8	23.8	-35.1	0	0	0	113.2	P549 G601	P549-P599 WeakPolarHBondContact CB-O 3.39Å; P549-P599 WeakPolarHBondContact CG-O 3.36Å; P599-G601 PolarHBondContact O-N 2.97Å
600	D	77.5	Confident	89.2	Confident	70 Å²	70	26.4 Å²	26.4	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-0.1	176.7	-76.7	28.7	0	0	0	113.9	S598 N602	S598-D600 PolarHBondContact O-N 3.46Å; D600-N602 PolarHBondContact O-N 3.19Å; D600-N602 PolarHBondContact O-ND2 2.99Å; D600-N602 VanDerWaalsContact O-ND2 3.08Å
601	G	84	Confident	90.3	Very high	15 Å²	15	24.3 Å²	24.3	16%	0.155	13%	0.125	C	C	.	.	S	Bend	trans	68.1	-11.7	-180	0	0	0	0	0	116.5	W597 S598 P599	W597-G601 WeakPolarHBondContact CZ3-O 3.21Å; S598-G601 PolarHBondContact O-N 3.5Å; S598-G601 PolarHBondContact OG-N 3.16Å; P599-G601 PolarHBondContact O-N 2.97Å
602	N	83.1	Confident	90.7	Very high	85 Å²	85	26.2 Å²	26.2	46%	0.455	13%	0.13	S	C	.	.	S	Bend	trans	-77.4	-17.6	-175.2	-65.7	-59.5	0	0	0	114.6	S598 D600 V618	S598-N602 PolarHBondContact OG-N 3.07Å; D600-N602 PolarHBondContact O-N 3.19Å; D600-N602 PolarHBondContact O-ND2 2.99Å; D600-N602 VanDerWaalsContact O-ND2 3.08Å; N602-V618 WeakPolarHBondContact O-CB 3.41Å; N602-V618 WeakPolarHBondContact O-CG2 3.45Å; N602-V618 PolarHBondContact O-N 3.37Å
603	R	86.4	Confident	90.9	Very high	8 Å²	8	24.4 Å²	24.4	3%	0.03	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.3	-174.3	-64.3	176.3	176	-144.2	-18.4	112.6	S598 W616 L624 F639 S870 F871 E872	S598-R603 PolarHBondContact N-O 2.83Å; S598-R603 PolarHBondContact OG-N 3.01Å; S598-R603 PolarHBondContact OG-O 3.48Å; R603-W616 VanDerWaalsContact CA-O 3.32Å; R603-W616 WeakPolarHBondContact CA-O 3.48Å; R603-L624 HydrophobicContact CG-CD1 3.92Å; R603-F639 HydrophobicContact CB-CZ 4.29Å; R603-S870 VanDerWaalsContact NH2-C 3.27Å; R603-S870 PolarHBondContact NH2-O 3.17Å; R603-F871 VanDerWaalsContact CZ-C 3.41Å; R603-F871 PolarHBondContact NH2-O 3.28Å; R603-E872 WeakPolarHBondContact CD-OE1 3.17Å; R603-E872 VanDerWaalsContact CZ-CA 3.5Å; R603-E872 IonicContact CZ-OE1 3.76Å; R603-E872 IonicContact NE-OE1 2.74Å; R603-E872 IonicContact NH1-OE1 3.9Å; R603-E872 PolarHBondContact NH1-OE1 2.94Å
604	V	94.6	Very high	90.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.2	178.1	175.8	0	0	0	0	108.3	L555 V563 I565 L581 S596 W597 V615 W616 V618	L555-V604 HydrophobicContact CD1-CB 4.3Å; L555-V604 HydrophobicContact CD1-CG1 3.57Å; L555-V604 HydrophobicContact CD1-CG2 3.95Å; L555-V604 HydrophobicContact CD2-CB 4.42Å; L555-V604 HydrophobicContact CD2-CG1 3.69Å; L555-V604 HydrophobicContact CD2-CG2 3.83Å; L555-V604 HydrophobicContact CG-CG1 4.29Å; L555-V604 HydrophobicContact CG-CG2 4.38Å; V563-V604 HydrophobicContact CG1-CG1 3.96Å; I565-V604 HydrophobicContact CD1-CG2 4.43Å; L581-V604 HydrophobicContact CD1-CB 4.04Å; L581-V604 HydrophobicContact CD1-CG1 4.1Å; L581-V604 HydrophobicContact CD1-CG2 4.09Å; S596-V604 WeakPolarHBondContact O-CA 3.34Å; W597-V604 HydrophobicContact CE3-CG2 4.28Å; W597-V604 HydrophobicContact CZ3-CG2 4.46Å; V604-V615 CarbonylContact O-C 3.58Å; V604-V615 VanDerWaalsContact O-CA 3.29Å; V604-V615 WeakPolarHBondContact O-CA 3.49Å; V604-W616 HydrophobicContact CG1-CE3 4.35Å; V604-W616 PolarHBondContact N-O 3.48Å; V604-W616 PolarHBondContact O-N 3.03Å; V604-V618 HydrophobicContact CG2-CG2 3.59Å
605	S	95.1	Very high	90.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.3	164.7	66	0	0	0	0	111.8	C595 S596 Y614 T637 F639	C595-S605 CarbonylContact C-O 3.54Å; C595-S605 VanDerWaalsContact CA-O 3.22Å; C595-S605 WeakPolarHBondContact CA-O 3.25Å; C595-S605 VanDerWaalsContact CB-O 3.28Å; C595-S605 WeakPolarHBondContact CB-O 3.39Å; S596-S605 PolarHBondContact N-O 2.88Å; S596-S605 PolarHBondContact O-N 2.82Å; S596-S605 PolarHBondContact OG-OG 2.97Å; S605-Y614 WeakPolarHBondContact CA-O 3.2Å; S605-Y614 WeakPolarHBondContact CB-O 3.28Å; S605-T637 PolarHBondContact O-OG1 3.23Å; S605-T637 WeakPolarHBondContact OG-CB 3.41Å; S605-T637 PolarHBondContact OG-OG1 3.22Å; S605-F639 VanDerWaalsContact OG-CE2 3.27Å; S605-F639 WeakPolarHBondContact OG-CE2 3.23Å
606	A	94.8	Very high	90.6	Very high	1 Å²	1	24 Å²	24	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.9	171.3	0	0	0	0	0	110.4	V563 C595 Y614 W616	V563-A606 HydrophobicContact CG2-CB 3.88Å; C595-A606 HydrophobicContact CB-CB 3.83Å; A606-Y614 PolarHBondContact N-O 3.25Å; A606-Y614 VanDerWaalsContact N-O 3.07Å; A606-Y614 PolarHBondContact O-N 3.14Å; A606-Y614 VanDerWaalsContact O-N 3.08Å; A606-W616 HydrophobicContact CB-CH2 4.11Å; A606-W616 HydrophobicContact CB-CZ3 3.79Å
607	G	92.2	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	152.9	171.2	0	0	0	0	0	112.8	R594 V634	R594-G607 PolarHBondContact O-N 3.34Å; G607-V634 CarbonylContact C-O 3.54Å; G607-V634 VanDerWaalsContact CA-O 3.31Å; G607-V634 WeakPolarHBondContact CA-O 3.29Å
608	S	92.6	Very high	89.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.			trans	-134.7	147	175.7	152.4	0	0	0	0	111.1	Q585 D610 R611 Y612 V634	Q585-S608 PolarHBondContact O-OG 3.24Å; S608-D610 PolarHBondContact O-N 3.01Å; S608-D610 WeakPolarHBondContact OG-CB 3.27Å; S608-D610 PolarHBondContact OG-N 2.97Å; S608-R611 PolarHBondContact O-N 2.98Å; S608-R611 VanDerWaalsContact O-N 3.14Å; S608-Y612 PolarHBondContact N-O 2.75Å; S608-V634 PolarHBondContact O-N 2.86Å; S608-V634 VanDerWaalsContact O-N 3.16Å
609	S	90.3	Very high	89	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.028	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.9	171.5	57.4	0	0	0	0	113.6	H586 N587 R611	H586-S609 VanDerWaalsContact CA-OG 3.31Å; H586-S609 WeakPolarHBondContact CA-OG 3.41Å; N587-S609 PolarHBondContact N-OG 3.08Å; N587-S609 PolarHBondContact ND2-O 2.87Å; N587-S609 PolarHBondContact ND2-OG 3.2Å; S609-R611 PolarHBondContact O-N 3.23Å
610	D	89.9	Confident	88.6	Confident	22 Å²	22	31.1 Å²	31.1	12%	0.118	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.2	167.7	-65.8	-14.3	0	0	0	112.2	Q585 N587 S608 Y612	Q585-D610 WeakPolarHBondContact CB-OD2 3.45Å; Q585-D610 WeakPolarHBondContact CG-OD2 3.19Å; N587-D610 PolarHBondContact ND2-OD1 3.27Å; S608-D610 PolarHBondContact O-N 3.01Å; S608-D610 WeakPolarHBondContact OG-CB 3.27Å; S608-D610 PolarHBondContact OG-N 2.97Å; D610-Y612 HydrophobicContact CB-CD2 3.74Å; D610-Y612 HydrophobicContact CB-CE2 4.38Å; D610-Y612 VanDerWaalsContact O-CD2 3.29Å; D610-Y612 WeakPolarHBondContact O-CD2 3.3Å
611	R	91.5	Very high	89	Confident	129 Å²	129	31.9 Å²	31.9	49%	0.487	16%	0.16	S	C	.	.	S	Bend	trans	77.1	26.9	-176.9	-40.2	161.7	-76.2	-163.7	-4.5	113.4	S608 S609 H630 F631 G632	S608-R611 PolarHBondContact O-N 2.98Å; S608-R611 VanDerWaalsContact O-N 3.14Å; S609-R611 PolarHBondContact O-N 3.23Å; R611-H630 HydrophobicContact CB-CB 4.35Å; R611-H630 WeakPolarHBondContact CB-O 3.23Å; R611-F631 WeakPolarHBondContact CD-O 3.35Å; R611-G632 WeakPolarHBondContact CB-O 3.45Å; R611-G632 WeakPolarHBondContact CG-O 3.48Å
612	Y	93.2	Very high	88.8	Confident	80 Å²	80	39.7 Å²	39.7	31%	0.314	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.1	177.8	-70	-93.7	0	0	0	111.3	S608 D610 K626 L627 P628	S608-Y612 PolarHBondContact N-O 2.75Å; D610-Y612 HydrophobicContact CB-CD2 3.74Å; D610-Y612 HydrophobicContact CB-CE2 4.38Å; D610-Y612 VanDerWaalsContact O-CD2 3.29Å; D610-Y612 WeakPolarHBondContact O-CD2 3.3Å; Y612-K626 HydrophobicContact CD1-CD 4Å; Y612-K626 HydrophobicContact CD1-CG 3.37Å; Y612-K626 HydrophobicContact CE1-CD 4.28Å; Y612-K626 HydrophobicContact CE1-CG 3.96Å; Y612-K626 HydrophobicContact CG-CD 4.2Å; Y612-K626 HydrophobicContact CG-CG 3.82Å; Y612-L627 WeakPolarHBondContact CA-O 3.18Å; Y612-P628 HydrophobicContact CD1-CB 4.12Å; Y612-P628 HydrophobicContact CE1-CB 3.72Å; Y612-P628 HydrophobicContact CE1-CG 4.47Å
613	V	94.2	Very high	88.7	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.8	160.4	-178.8	0	0	0	0	107.9	V615 K626 L627 V634 T637 I646 S648	V613-V615 HydrophobicContact CG1-CG2 4.38Å; V613-K626 CarbonylContact O-C 3.49Å; V613-K626 WeakPolarHBondContact O-CA 3.33Å; V613-L627 HydrophobicContact CB-CB 4.11Å; V613-L627 HydrophobicContact CB-CD1 4.14Å; V613-L627 HydrophobicContact CB-CG 4.44Å; V613-L627 HydrophobicContact CG1-CD1 4.19Å; V613-L627 PolarHBondContact N-O 3.45Å; V613-L627 VanDerWaalsContact N-O 3.1Å; V613-L627 PolarHBondContact O-N 3.47Å; V613-V634 HydrophobicContact CG2-CG1 4.11Å; V613-V634 HydrophobicContact CG2-CG2 4.38Å; V613-T637 HydrophobicContact CG1-CG2 3.8Å; V613-T637 HydrophobicContact CG2-CG2 4.34Å; V613-I646 HydrophobicContact CG1-CD1 3.74Å; V613-S648 WeakPolarHBondContact CG2-OG 3.38Å
614	Y	94.3	Very high	88.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.6	170.8	-75.4	-100.4	0	0	0	109.9	G583 N584 S605 A606 W616 I623 K626	G583-Y614 WeakPolarHBondContact O-CE1 3.34Å; G583-Y614 PolarHBondContact O-OH 3.16Å; N584-Y614 HydrophobicContact CB-CD2 4.15Å; N584-Y614 HydrophobicContact CB-CE2 4.22Å; N584-Y614 HydrophobicContact CB-CG 4.34Å; S605-Y614 WeakPolarHBondContact CA-O 3.2Å; S605-Y614 WeakPolarHBondContact CB-O 3.28Å; A606-Y614 PolarHBondContact N-O 3.25Å; A606-Y614 VanDerWaalsContact N-O 3.07Å; A606-Y614 PolarHBondContact O-N 3.14Å; A606-Y614 VanDerWaalsContact O-N 3.08Å; Y614-W616 HydrophobicContact CD1-CZ2 4.3Å; Y614-W616 HydrophobicContact CG-CH2 4.11Å; Y614-W616 HydrophobicContact CG-CZ2 4.25Å; Y614-I623 HydrophobicContact CD1-CD1 3.86Å; Y614-I623 HydrophobicContact CD1-CG1 4.2Å; Y614-I623 HydrophobicContact CD1-CG2 4.16Å; Y614-I623 HydrophobicContact CE1-CD1 3.86Å; Y614-K626 HydrophobicContact CD1-CB 4.4Å; Y614-K626 HydrophobicContact CD1-CG 4.47Å; Y614-K626 HydrophobicContact CE1-CB 4.31Å; Y614-K626 HydrophobicContact CE1-CD 3.74Å; Y614-K626 HydrophobicContact CE1-CG 4.06Å; Y614-K626 HydrophobicContact CE2-CD 4.41Å; Y614-K626 WeakPolarHBondContact OH-CE 3.21Å; Y614-K626 PolarHBondContact OH-NZ 2.94Å
615	V	92.9	Very high	87.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.2	172.4	-178.6	0	0	0	0	108.7	V604 V613 I623 L624 Y625 F639 I646 L660	V604-V615 CarbonylContact O-C 3.58Å; V604-V615 VanDerWaalsContact O-CA 3.29Å; V604-V615 WeakPolarHBondContact O-CA 3.49Å; V613-V615 HydrophobicContact CG1-CG2 4.38Å; V615-I623 CarbonylContact O-C 3.59Å; V615-I623 WeakPolarHBondContact O-CA 3.43Å; V615-L624 HydrophobicContact CG1-CB 4.48Å; V615-L624 HydrophobicContact CG1-CD1 4.2Å; V615-L624 PolarHBondContact O-N 2.83Å; V615-Y625 HydrophobicContact CB-CD2 3.9Å; V615-Y625 HydrophobicContact CG1-CD2 4.07Å; V615-Y625 HydrophobicContact CG2-CD2 4.19Å; V615-Y625 PolarHBondContact N-O 2.81Å; V615-Y625 PolarHBondContact O-N 2.88Å; V615-F639 HydrophobicContact CG1-CZ 4.1Å; V615-I646 HydrophobicContact CG2-CD1 3.58Å; V615-L660 HydrophobicContact CG2-CD1 4.49Å
616	W	90.1	Very high	87.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.4	176	-60.5	-104.3	0	0	0	111.2	V563 L581 Q582 N584 R603 V604 A606 Y614 R622 I623	V563-W616 HydrophobicContact CG2-CH2 3.92Å; V563-W616 HydrophobicContact CG2-CZ3 4.22Å; L581-W616 HydrophobicContact CB-CD2 4.26Å; L581-W616 HydrophobicContact CB-CG 4.14Å; L581-W616 HydrophobicContact CD1-CB 3.96Å; L581-W616 HydrophobicContact CD1-CD2 4.25Å; L581-W616 HydrophobicContact CD1-CG 4.04Å; L581-W616 HydrophobicContact CD2-CB 4.2Å; L581-W616 HydrophobicContact CD2-CG 4.32Å; L581-W616 HydrophobicContact CG-CG 4.4Å; Q582-W616 PolarHBondContact O-NE1 3.31Å; N584-W616 HydrophobicContact CB-CH2 3.97Å; N584-W616 HydrophobicContact CB-CZ2 3.95Å; N584-W616 WeakPolarHBondContact OD1-CZ2 3.41Å; R603-W616 VanDerWaalsContact CA-O 3.32Å; R603-W616 WeakPolarHBondContact CA-O 3.48Å; V604-W616 HydrophobicContact CG1-CE3 4.35Å; V604-W616 PolarHBondContact N-O 3.48Å; V604-W616 PolarHBondContact O-N 3.03Å; A606-W616 HydrophobicContact CB-CH2 4.11Å; A606-W616 HydrophobicContact CB-CZ3 3.79Å; Y614-W616 HydrophobicContact CD1-CZ2 4.3Å; Y614-W616 HydrophobicContact CG-CH2 4.11Å; Y614-W616 HydrophobicContact CG-CZ2 4.25Å; W616-R622 VanDerWaalsContact CA-O 3.29Å; W616-R622 WeakPolarHBondContact CA-O 3.14Å; W616-I623 HydrophobicContact CG-CG1 4.38Å; W616-I623 VanDerWaalsContact NE1-CG1 3.3Å
617	D	81.8	Confident	87	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.1	158.3	161.3	34.4	0	0	0	108.9	M619 S620 Q621 R622 L624	D617-M619 VanDerWaalsContact C-N 3.29Å; D617-M619 PolarHBondContact O-N 3.1Å; D617-M619 PolarHBondContact OD1-N 2.95Å; D617-S620 WeakPolarHBondContact OD2-CA 3.48Å; D617-S620 WeakPolarHBondContact OD2-CB 3.49Å; D617-S620 PolarHBondContact OD2-N 3.03Å; D617-S620 PolarHBondContact OD2-OG 3.36Å; D617-Q621 VanDerWaalsContact O-CA 3.3Å; D617-Q621 WeakPolarHBondContact O-CA 3.23Å; D617-Q621 PolarHBondContact O-N 2.9Å; D617-R622 PolarHBondContact N-O 2.61Å; D617-L624 HydrophobicContact CB-CD1 3.83Å; D617-L624 HydrophobicContact CB-CD2 4.12Å; D617-L624 HydrophobicContact CB-CG 3.97Å
618	V	84.5	Confident	86.8	Confident	22 Å²	22	52.9 Å²	52.9	13%	0.133	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.1	177.3	170	0	0	0	0	110.9	I565 R579 W597 N602 V604	I565-V618 HydrophobicContact CD1-CB 4.45Å; I565-V618 HydrophobicContact CD1-CG1 3.86Å; I565-V618 HydrophobicContact CD1-CG2 4.14Å; R579-V618 WeakPolarHBondContact CD-O 3.41Å; R579-V618 PolarHBondContact NE-O 3.49Å; R579-V618 PolarHBondContact NH1-O 2.85Å; W597-V618 HydrophobicContact CE3-CG2 4.29Å; W597-V618 HydrophobicContact CZ3-CG1 4.47Å; W597-V618 HydrophobicContact CZ3-CG2 3.76Å; N602-V618 WeakPolarHBondContact O-CB 3.41Å; N602-V618 WeakPolarHBondContact O-CG2 3.45Å; N602-V618 PolarHBondContact O-N 3.37Å; V604-V618 HydrophobicContact CG2-CG2 3.59Å
619	M	81.2	Confident	86.4	Confident	135 Å²	135	54.1 Å²	54.1	67%	0.665	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-42.6	-168.2	-171.3	56.8	-170.3	0	0	113.1	R579 D617	R579-M619 PolarHBondContact NH1-O 3.04Å; R579-M619 PolarHBondContact NH2-O 3.22Å; R579-M619 PolarHBondContact NH2-SD 3.39Å; D617-M619 VanDerWaalsContact C-N 3.29Å; D617-M619 PolarHBondContact O-N 3.1Å; D617-M619 PolarHBondContact OD1-N 2.95Å
620	S	76.4	Confident	86.4	Confident	70 Å²	70	54.5 Å²	54.5	49%	0.49	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	175.3	69.2	0	0	0	0	114.8	D617 R622	D617-S620 WeakPolarHBondContact OD2-CA 3.48Å; D617-S620 WeakPolarHBondContact OD2-CB 3.49Å; D617-S620 PolarHBondContact OD2-N 3.03Å; D617-S620 PolarHBondContact OD2-OG 3.36Å; S620-R622 PolarHBondContact O-N 3.38Å; S620-R622 VanDerWaalsContact O-N 3.1Å; S620-R622 WeakPolarHBondContact OG-CB 3.49Å
621	Q	85.1	Confident	86.4	Confident	86 Å²	86	60.3 Å²	60.3	40%	0.402	29%	0.291	S	S	.	.			trans	60.8	10.6	-175.4	-53.4	177.9	-8	0	0	114.3	R579 L581 D617	R579-Q621 VanDerWaalsContact NH1-CG 3.34Å; L581-Q621 HydrophobicContact CD2-CB 3.82Å; L581-Q621 HydrophobicContact CD2-CG 4.12Å; D617-Q621 VanDerWaalsContact O-CA 3.3Å; D617-Q621 WeakPolarHBondContact O-CA 3.23Å; D617-Q621 PolarHBondContact O-N 2.9Å
622	R	79.8	Confident	86.4	Confident	178 Å²	178	54.7 Å²	54.7	67%	0.672	27%	0.274	S	S	*	.			trans	-90.8	138.9	-172.1	-175.5	-172.1	161.7	173.3	-2.1	111.2	W616 D617 S620 L624	W616-R622 VanDerWaalsContact CA-O 3.29Å; W616-R622 WeakPolarHBondContact CA-O 3.14Å; D617-R622 PolarHBondContact N-O 2.61Å; S620-R622 PolarHBondContact O-N 3.38Å; S620-R622 VanDerWaalsContact O-N 3.1Å; S620-R622 WeakPolarHBondContact OG-CB 3.49Å; R622-L624 PolarHBondContact O-N 2.88Å; R622-L624 VanDerWaalsContact O-N 3.16Å
623	I	82.4	Confident	86.3	Confident	52 Å²	52	50.9 Å²	50.9	27%	0.267	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	114.8	164	-60	164.2	0	0	0	109.3	Y614 V615 W616 Y625 K626	Y614-I623 HydrophobicContact CD1-CD1 3.86Å; Y614-I623 HydrophobicContact CD1-CG1 4.2Å; Y614-I623 HydrophobicContact CD1-CG2 4.16Å; Y614-I623 HydrophobicContact CE1-CD1 3.86Å; V615-I623 CarbonylContact O-C 3.59Å; V615-I623 WeakPolarHBondContact O-CA 3.43Å; W616-I623 HydrophobicContact CG-CG1 4.38Å; W616-I623 VanDerWaalsContact NE1-CG1 3.3Å; I623-Y625 WeakPolarHBondContact CG2-O 3.44Å; I623-K626 HydrophobicContact CG2-CB 4.5Å
624	L	77.3	Confident	86.4	Confident	45 Å²	45	50.7 Å²	50.7	24%	0.236	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-48.8	171.6	-66.9	166.4	0	0	0	110.4	R603 V615 D617 R622	R603-L624 HydrophobicContact CG-CD1 3.92Å; V615-L624 HydrophobicContact CG1-CB 4.48Å; V615-L624 HydrophobicContact CG1-CD1 4.2Å; V615-L624 PolarHBondContact O-N 2.83Å; D617-L624 HydrophobicContact CB-CD1 3.83Å; D617-L624 HydrophobicContact CB-CD2 4.12Å; D617-L624 HydrophobicContact CB-CG 3.97Å; R622-L624 PolarHBondContact O-N 2.88Å; R622-L624 VanDerWaalsContact O-N 3.16Å
625	Y	83.9	Confident	86.5	Confident	41 Å²	41	50.7 Å²	50.7	16%	0.161	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.3	-179.3	-49.9	-70.1	0	0	0	111.4	V615 I623 L627 L660	V615-Y625 HydrophobicContact CB-CD2 3.9Å; V615-Y625 HydrophobicContact CG1-CD2 4.07Å; V615-Y625 HydrophobicContact CG2-CD2 4.19Å; V615-Y625 PolarHBondContact N-O 2.81Å; V615-Y625 PolarHBondContact O-N 2.88Å; I623-Y625 WeakPolarHBondContact CG2-O 3.44Å; Y625-L627 HydrophobicContact CG-CD2 4.3Å; Y625-L660 HydrophobicContact CD2-CD1 4.22Å; Y625-L660 HydrophobicContact CD2-CD2 3.92Å; Y625-L660 HydrophobicContact CE2-CB 4.22Å; Y625-L660 HydrophobicContact CE2-CD1 4.12Å; Y625-L660 HydrophobicContact CE2-CD2 3.95Å; Y625-L660 HydrophobicContact CE2-CG 4.32Å; Y625-L660 HydrophobicContact CG-CD2 4.39Å
626	K	84.2	Confident	86.6	Confident	84 Å²	84	50.8 Å²	50.8	37%	0.365	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	96.8	162.4	173.9	169.3	-178.5	160.1	0	106.1	Y612 V613 Y614 I623 P628	Y612-K626 HydrophobicContact CD1-CD 4Å; Y612-K626 HydrophobicContact CD1-CG 3.37Å; Y612-K626 HydrophobicContact CE1-CD 4.28Å; Y612-K626 HydrophobicContact CE1-CG 3.96Å; Y612-K626 HydrophobicContact CG-CD 4.2Å; Y612-K626 HydrophobicContact CG-CG 3.82Å; V613-K626 CarbonylContact O-C 3.49Å; V613-K626 WeakPolarHBondContact O-CA 3.33Å; Y614-K626 HydrophobicContact CD1-CB 4.4Å; Y614-K626 HydrophobicContact CD1-CG 4.47Å; Y614-K626 HydrophobicContact CE1-CB 4.31Å; Y614-K626 HydrophobicContact CE1-CD 3.74Å; Y614-K626 HydrophobicContact CE1-CG 4.06Å; Y614-K626 HydrophobicContact CE2-CD 4.41Å; Y614-K626 WeakPolarHBondContact OH-CE 3.21Å; Y614-K626 PolarHBondContact OH-NZ 2.94Å; I623-K626 HydrophobicContact CG2-CB 4.5Å; K626-P628 WeakPolarHBondContact O-CD 3.26Å
627	L	88.2	Confident	86.9	Confident	50 Å²	50	50.8 Å²	50.8	26%	0.262	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.1	-170.3	-50.3	168.7	0	0	0	110.1	Y612 V613 Y625 I646 L660	Y612-L627 WeakPolarHBondContact CA-O 3.18Å; V613-L627 HydrophobicContact CB-CB 4.11Å; V613-L627 HydrophobicContact CB-CD1 4.14Å; V613-L627 HydrophobicContact CB-CG 4.44Å; V613-L627 HydrophobicContact CG1-CD1 4.19Å; V613-L627 PolarHBondContact N-O 3.45Å; V613-L627 VanDerWaalsContact N-O 3.1Å; V613-L627 PolarHBondContact O-N 3.47Å; Y625-L627 HydrophobicContact CG-CD2 4.3Å; L627-I646 HydrophobicContact CD1-CG2 3.95Å; L627-L660 HydrophobicContact CD1-CD2 4.09Å; L627-L660 HydrophobicContact CD2-CD2 4.35Å
628	P	88	Confident	87.6	Confident	99 Å²	99	51.5 Å²	51.5	64%	0.643	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	153.3	168.5	32.9	-32.8	0	0	0	111.1	Y612 K626	Y612-P628 HydrophobicContact CD1-CB 4.12Å; Y612-P628 HydrophobicContact CE1-CB 3.72Å; Y612-P628 HydrophobicContact CE1-CG 4.47Å; K626-P628 WeakPolarHBondContact O-CD 3.26Å
629	G	84.3	Confident	88	Confident	26 Å²	26	51.1 Å²	51.1	27%	0.268	26%	0.259	S	S	.	.			trans	169.6	-40.4	169.1	0	0	0	0	0	113.2	F631 Y656	G629-F631 WeakPolarHBondContact O-CD2 3.32Å; G629-F631 WeakPolarHBondContact O-CE2 3.2Å; G629-Y656 PolarHBondContact O-OH 2.73Å
630	H	91.9	Very high	88.6	Confident	13 Å²	13	45 Å²	45	6%	0.06	23%	0.228	C	C	.	.			trans	-73.6	154.7	176.6	-69.8	-83.8	0	0	0	112.6	R611 V634 S648 G650 D652 K654 Y656	R611-H630 HydrophobicContact CB-CB 4.35Å; R611-H630 WeakPolarHBondContact CB-O 3.23Å; H630-V634 HydrophobicContact CB-CG2 4.12Å; H630-S648 PolarHBondContact CE1-O 3.11Å; H630-S648 WeakPolarHBondContact NE2-CB 3.34Å; H630-S648 PolarHBondContact NE2-O 3.45Å; H630-S648 PolarHBondContact NE2-OG 2.65Å; H630-G650 PolarHBondContact CE1-N 3.41Å; H630-D652 WeakPolarHBondContact CA-OD2 3.32Å; H630-D652 IonicContact CE1-OD1 3.93Å; H630-D652 IonicContact CG-OD1 3.13Å; H630-D652 IonicContact ND1-OD1 2.69Å; H630-D652 PolarHBondContact ND1-OD1 3.33Å; H630-D652 IonicContact ND1-OD2 3.48Å; H630-K654 PolarHBondContact CE1-O 3.05Å; H630-Y656 AromaticContact CD2-CD2 3.96Å; H630-Y656 AromaticContact CE1-CD2 3.68Å; H630-Y656 AromaticContact NE2-CD2 3.62Å
631	F	90	Very high	89	Confident	143 Å²	143	43.4 Å²	43.4	63%	0.627	22%	0.217	S	C	*	.	S	Bend	trans	-107	-6.9	176.6	-68.8	-103.7	0	0	0	113.1	R611 G629 D652	R611-F631 WeakPolarHBondContact CD-O 3.35Å; G629-F631 WeakPolarHBondContact O-CD2 3.32Å; G629-F631 WeakPolarHBondContact O-CE2 3.2Å; F631-D652 HydrophobicContact CB-CB 3.88Å; F631-D652 PolarHBondContact N-OD2 2.92Å
632	G	90	Very high	88.8	Confident	11 Å²	11	42.4 Å²	42.4	11%	0.113	22%	0.218	C	C	.	.	S	Bend	trans	-137	-180	175	0	0	0	0	0	111	R611 V634	R611-G632 WeakPolarHBondContact CB-O 3.45Å; R611-G632 WeakPolarHBondContact CG-O 3.48Å; G632-V634 PolarHBondContact O-N 3.31Å
633	S	92.7	Very high	88.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.			trans	-48.5	133.2	177.7	65	0	0	0	0	113.2	N591 N635 G650 S651	N591-S633 PolarHBondContact ND2-OG 2.88Å; S633-N635 PolarHBondContact O-N 2.65Å; S633-N635 PolarHBondContact O-OD1 3.32Å; S633-N635 PolarHBondContact OG-OD1 2.78Å; S633-G650 CarbonylContact O-C 3.57Å; S633-G650 WeakPolarHBondContact O-CA 3.17Å; S633-S651 PolarHBondContact N-OG 2.93Å; S633-S651 PolarHBondContact O-N 3.35Å; S633-S651 PolarHBondContact O-OG 2.78Å; S633-S651 PolarHBondContact OG-OG 3.24Å
634	V	95.3	Very high	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	106.8	169.9	-175.7	0	0	0	0	107.9	L593 G607 S608 V613 H630 G632 T637 A649	L593-V634 VanDerWaalsContact CD2-O 3.28Å; L593-V634 WeakPolarHBondContact CD2-O 3.41Å; G607-V634 CarbonylContact C-O 3.54Å; G607-V634 VanDerWaalsContact CA-O 3.31Å; G607-V634 WeakPolarHBondContact CA-O 3.29Å; S608-V634 PolarHBondContact O-N 2.86Å; S608-V634 VanDerWaalsContact O-N 3.16Å; V613-V634 HydrophobicContact CG2-CG1 4.11Å; V613-V634 HydrophobicContact CG2-CG2 4.38Å; H630-V634 HydrophobicContact CB-CG2 4.12Å; G632-V634 PolarHBondContact O-N 3.31Å; V634-T637 HydrophobicContact CG1-CG2 3.98Å; V634-A649 CarbonylContact C-O 3.57Å
635	N	95.4	Very high	89.2	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-35.8	-171.6	-62.3	-26.8	0	0	0	111.7	V373 Y374 R594 S633 A649 S651	V373-N635 PolarHBondContact O-ND2 2.81Å; Y374-N635 WeakPolarHBondContact O-CB 3.31Å; R594-N635 PolarHBondContact N-O 3.34Å; S633-N635 PolarHBondContact O-N 2.65Å; S633-N635 PolarHBondContact O-OD1 3.32Å; S633-N635 PolarHBondContact OG-OD1 2.78Å; N635-A649 PolarHBondContact N-O 3.01Å; N635-S651 PolarHBondContact ND2-N 2.9Å
636	E	96	Very high	89.6	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.5	172.7	-177.8	155	-136	0	0	112.6	T375 A376 K377 R594 S648 A649	T375-E636 WeakPolarHBondContact CA-OE2 3.48Å; T375-E636 WeakPolarHBondContact CB-OE2 3.48Å; T375-E636 HydrophobicContact CG2-CB 4.43Å; T375-E636 WeakPolarHBondContact CG2-OE2 3.39Å; A376-E636 PolarHBondContact N-OE2 3.31Å; K377-E636 WeakPolarHBondContact CE-OE1 3.46Å; K377-E636 IonicContact NZ-OE1 3.87Å; K377-E636 PolarHBondContact NZ-OE1 2.93Å; R594-E636 HydrophobicContact CB-CB 4.21Å; R594-E636 HydrophobicContact CB-CG 4.08Å; E636-S648 WeakPolarHBondContact O-CA 3.37Å; E636-A649 PolarHBondContact N-O 3.04Å; E636-A649 PolarHBondContact O-N 3.47Å
637	T	95.9	Very high	90.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.8	167.4	62.1	0	0	0	0	109	S596 S605 V613 V634 L647	S596-T637 WeakPolarHBondContact CB-O 3.34Å; S596-T637 PolarHBondContact OG-O 3.06Å; S596-T637 PolarHBondContact OG-OG1 3.36Å; S605-T637 PolarHBondContact O-OG1 3.23Å; S605-T637 WeakPolarHBondContact OG-CB 3.41Å; S605-T637 PolarHBondContact OG-OG1 3.22Å; V613-T637 HydrophobicContact CG1-CG2 3.8Å; V613-T637 HydrophobicContact CG2-CG2 4.34Å; V634-T637 HydrophobicContact CG1-CG2 3.98Å; T637-L647 VanDerWaalsContact CA-O 3.29Å; T637-L647 WeakPolarHBondContact CA-O 3.3Å
638	D	96.3	Very high	90.6	Very high	22 Å²	22	23.2 Å²	23.2	12%	0.118	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.9	175.6	-151.2	45.6	0	0	0	110.4	K377 F378 L647	K377-D638 WeakPolarHBondContact CA-OD2 3.31Å; K377-D638 HydrophobicContact CD-CB 4.15Å; K377-D638 VanDerWaalsContact CD-OD1 3.23Å; K377-D638 WeakPolarHBondContact CD-OD1 3.47Å; K377-D638 WeakPolarHBondContact CD-OD2 3.48Å; K377-D638 WeakPolarHBondContact CE-OD1 3.37Å; K377-D638 IonicContact NZ-OD1 3.58Å; K377-D638 PolarHBondContact NZ-OD1 3.09Å; F378-D638 HydrophobicContact CD2-CB 4.25Å; F378-D638 PolarHBondContact N-OD2 3.25Å; D638-L647 HydrophobicContact CB-CB 4.37Å; D638-L647 HydrophobicContact CB-CD2 4.29Å; D638-L647 PolarHBondContact N-O 2.84Å; D638-L647 PolarHBondContact O-N 3.03Å
639	F	94.2	Very high	90.9	Very high	14 Å²	14	18.5 Å²	18.5	6%	0.061	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.8	171.6	-73.4	-85.9	0	0	0	110	W597 R603 S605 V615 I646 L660	W597-F639 VanDerWaalsContact C-CD2 3.49Å; W597-F639 WeakPolarHBondContact O-CD2 3.31Å; R603-F639 HydrophobicContact CB-CZ 4.29Å; S605-F639 VanDerWaalsContact OG-CE2 3.27Å; S605-F639 WeakPolarHBondContact OG-CE2 3.23Å; V615-F639 HydrophobicContact CG1-CZ 4.1Å; F639-I646 HydrophobicContact CE1-CD1 4.13Å; F639-I646 HydrophobicContact CE1-CG1 4.48Å; F639-I646 HydrophobicContact CZ-CD1 4.18Å; F639-L660 HydrophobicContact CE1-CD1 4.12Å
640	H	92.4	Very high	91.4	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.028	9%	0.093	C	C	.	.			trans	-63.5	139.9	171.9	-176.4	-74.1	0	0	0	110.4	F378 G382 Y400 C642 E643 I645	F378-H640 AromaticContact CD1-CD2 3.81Å; F378-H640 HydrophobicContact CD2-CB 4.02Å; F378-H640 HydrophobicContact CE1-CB 4.36Å; F378-H640 AromaticContact CE1-CD2 3.75Å; F378-H640 HydrophobicContact CE2-CB 3.8Å; F378-H640 HydrophobicContact CG-CB 4.37Å; F378-H640 HydrophobicContact CZ-CB 3.97Å; G382-H640 WeakPolarHBondContact CA-NE2 3.29Å; G382-H640 PolarHBondContact O-NE2 2.96Å; Y400-H640 AromaticContact CE2-NE2 3.72Å; Y400-H640 AromaticContact CZ-NE2 3.21Å; Y400-H640 PolarHBondContact OH-CE1 3.36Å; Y400-H640 PolarHBondContact OH-NE2 3.12Å; H640-C642 VanDerWaalsContact C-N 3.26Å; H640-C642 VanDerWaalsContact CE1-CB 3.44Å; H640-C642 WeakPolarHBondContact CE1-CB 3.44Å; H640-C642 PolarHBondContact ND1-N 2.93Å; H640-C642 VanDerWaalsContact ND1-N 3.1Å; H640-C642 PolarHBondContact O-N 3.06Å; H640-E643 PolarHBondContact ND1-N 2.92Å; H640-I645 HydrophobicContact CB-CB 3.77Å; H640-I645 HydrophobicContact CB-CD1 4.46Å; H640-I645 HydrophobicContact CB-CG1 4.49Å; H640-I645 WeakPolarHBondContact CB-O 3.33Å; H640-I645 PolarHBondContact N-O 2.9Å
641	P	85.8	Confident	91.4	Very high	38 Å²	38	17.4 Å²	17.4	25%	0.247	10%	0.096	C	C	.	.	S	Bend	trans	-67.4	-23	-171.2	26.4	-37.3	0	0	0	114.2	K380	K380-P641 WeakPolarHBondContact O-CB 3.33Å; K380-P641 VanDerWaalsContact O-CG 3.3Å; K380-P641 WeakPolarHBondContact O-CG 3.4Å
642	C	81.3	Confident	91.6	Very high	65 Å²	65	11.9 Å²	11.9	44%	0.439	7%	0.073	S	C	.	.	S	Bend	trans	-122.2	-61	-178.8	-77.4	0	0	0	0	112.7	H640 R873	H640-C642 VanDerWaalsContact C-N 3.26Å; H640-C642 VanDerWaalsContact CE1-CB 3.44Å; H640-C642 WeakPolarHBondContact CE1-CB 3.44Å; H640-C642 PolarHBondContact ND1-N 2.93Å; H640-C642 VanDerWaalsContact ND1-N 3.1Å; H640-C642 PolarHBondContact O-N 3.06Å; C642-R873 PolarHBondContact O-NE 2.8Å; C642-R873 PolarHBondContact O-NH1 2.97Å; C642-R873 PolarHBondContact O-NH2 2.8Å
643	E	79.3	Confident	91.8	Very high	27 Å²	27	16.1 Å²	16.1	13%	0.126	9%	0.088	C	C	.	.	S	Bend	trans	-79.3	157.2	-173.2	-56.8	-160.6	133.7	0	0	111.3	S357 H358 Y400 H640 I645	S357-E643 VanDerWaalsContact CA-CD 3.46Å; S357-E643 WeakPolarHBondContact CA-OE1 3.39Å; S357-E643 WeakPolarHBondContact CA-OE2 3.23Å; S357-E643 VanDerWaalsContact CB-OE2 3.31Å; S357-E643 WeakPolarHBondContact CB-OE2 3.45Å; H358-E643 IonicContact CE1-OE1 2.8Å; H358-E643 IonicContact CG-OE1 3.73Å; H358-E643 PolarHBondContact N-OE1 2.71Å; H358-E643 PolarHBondContact N-OE2 3.29Å; H358-E643 IonicContact ND1-OE1 2.67Å; H358-E643 PolarHBondContact ND1-OE1 3.12Å; Y400-E643 WeakPolarHBondContact CE1-OE2 3.24Å; Y400-E643 VanDerWaalsContact OH-CD 3.3Å; Y400-E643 PolarHBondContact OH-OE2 3.03Å; H640-E643 PolarHBondContact ND1-N 2.92Å; E643-I645 HydrophobicContact CB-CD1 3.84Å; E643-I645 HydrophobicContact CB-CG1 3.98Å; E643-I645 PolarHBondContact O-N 3.14Å
644	P	78.8	Confident	91.8	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.026	10%	0.096	C	C	.	.	S	Bend	trans	-79.7	56.3	-176.9	37.6	-39.1	0	0	0	110.5	F356 E659 L660 M662 E872	F356-P644 HydrophobicContact CB-CG 3.96Å; P644-E659 WeakPolarHBondContact O-CA 3.22Å; P644-L660 PolarHBondContact O-N 3.34Å; P644-M662 HydrophobicContact CB-CE 4.2Å; P644-M662 HydrophobicContact CB-CG 4.2Å; P644-M662 HydrophobicContact CG-CE 3.51Å; P644-M662 HydrophobicContact CG-CG 3.89Å; P644-M662 HydrophobicContact CG-SD 4.5Å; P644-E872 HydrophobicContact CB-CB 4.43Å; P644-E872 HydrophobicContact CB-CG 4.39Å
645	I	89.4	Confident	91.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.5	-178.8	-52.1	164	0	0	0	107.8	L359 F378 V399 H640 E643 M657 G658	L359-I645 HydrophobicContact CD1-CD1 3.86Å; L359-I645 HydrophobicContact CD1-CG1 3.87Å; L359-I645 HydrophobicContact CD1-CG2 3.97Å; L359-I645 HydrophobicContact CD2-CD1 3.9Å; L359-I645 HydrophobicContact CG-CD1 3.72Å; L359-I645 HydrophobicContact CG-CG1 4.2Å; F378-I645 HydrophobicContact CZ-CG2 3.99Å; V399-I645 HydrophobicContact CG1-CD1 4.16Å; H640-I645 HydrophobicContact CB-CB 3.77Å; H640-I645 HydrophobicContact CB-CD1 4.46Å; H640-I645 HydrophobicContact CB-CG1 4.49Å; H640-I645 WeakPolarHBondContact CB-O 3.33Å; H640-I645 PolarHBondContact N-O 2.9Å; E643-I645 HydrophobicContact CB-CD1 3.84Å; E643-I645 HydrophobicContact CB-CG1 3.98Å; E643-I645 PolarHBondContact O-N 3.14Å; I645-M657 HydrophobicContact CG2-CB 4.05Å; I645-G658 WeakPolarHBondContact CA-O 3.31Å
646	I	93.1	Very high	91.8	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.031	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.5	165.8	-167.3	165.3	0	0	0	109.8	V613 V615 L627 F639 M657 G658 L660	V613-I646 HydrophobicContact CG1-CD1 3.74Å; V615-I646 HydrophobicContact CG2-CD1 3.58Å; L627-I646 HydrophobicContact CD1-CG2 3.95Å; F639-I646 HydrophobicContact CE1-CD1 4.13Å; F639-I646 HydrophobicContact CE1-CG1 4.48Å; F639-I646 HydrophobicContact CZ-CD1 4.18Å; I646-M657 CarbonylContact O-C 3.52Å; I646-M657 WeakPolarHBondContact O-CA 3.36Å; I646-G658 PolarHBondContact N-O 3.16Å; I646-G658 PolarHBondContact O-N 2.82Å; I646-L660 HydrophobicContact CB-CD1 3.83Å; I646-L660 HydrophobicContact CB-CG 4.29Å; I646-L660 HydrophobicContact CD1-CD1 4.36Å; I646-L660 HydrophobicContact CG2-CD1 3.8Å; I646-L660 HydrophobicContact CG2-CD2 3.99Å; I646-L660 HydrophobicContact CG2-CG 3.84Å
647	L	95.6	Very high	91.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.8	168.9	176.1	153.1	0	0	0	109.5	A376 F378 L385 T637 D638 I655 Y656	A376-L647 HydrophobicContact CB-CD1 4.22Å; A376-L647 HydrophobicContact CB-CD2 3.71Å; F378-L647 HydrophobicContact CD2-CB 4.28Å; F378-L647 HydrophobicContact CE1-CD1 4.48Å; F378-L647 HydrophobicContact CE2-CB 3.41Å; F378-L647 VanDerWaalsContact CE2-CB 3.41Å; F378-L647 HydrophobicContact CE2-CD1 4.29Å; F378-L647 HydrophobicContact CE2-CG 4.49Å; F378-L647 HydrophobicContact CZ-CB 3.67Å; F378-L647 HydrophobicContact CZ-CD1 4.19Å; L385-L647 HydrophobicContact CB-CD1 4.45Å; L385-L647 HydrophobicContact CD1-CD1 3.8Å; T637-L647 VanDerWaalsContact CA-O 3.29Å; T637-L647 WeakPolarHBondContact CA-O 3.3Å; D638-L647 HydrophobicContact CB-CB 4.37Å; D638-L647 HydrophobicContact CB-CD2 4.29Å; D638-L647 PolarHBondContact N-O 2.84Å; D638-L647 PolarHBondContact O-N 3.03Å; L647-I655 HydrophobicContact CD1-CG2 4.02Å; L647-I655 HydrophobicContact CD2-CG2 4.29Å; L647-I655 HydrophobicContact CG-CG2 3.9Å; L647-Y656 CarbonylContact C-O 3.59Å; L647-Y656 WeakPolarHBondContact CA-O 3.06Å
648	S	96.2	Very high	91.2	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.063	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.9	166.5	64.1	0	0	0	0	112.5	V613 H630 E636 I655 Y656	V613-S648 WeakPolarHBondContact CG2-OG 3.38Å; H630-S648 PolarHBondContact CE1-O 3.11Å; H630-S648 WeakPolarHBondContact NE2-CB 3.34Å; H630-S648 PolarHBondContact NE2-O 3.45Å; H630-S648 PolarHBondContact NE2-OG 2.65Å; E636-S648 WeakPolarHBondContact O-CA 3.37Å; S648-I655 CarbonylContact O-C 3.55Å; S648-I655 VanDerWaalsContact O-CA 3.29Å; S648-I655 WeakPolarHBondContact O-CA 3.5Å; S648-Y656 PolarHBondContact N-O 3.29Å; S648-Y656 PolarHBondContact O-N 3.38Å
649	A	95.6	Very high	90.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.3	179.4	0	0	0	0	0	110.6	V373 A376 V634 N635 E636 I655	V373-A649 HydrophobicContact CB-CB 4.18Å; V373-A649 HydrophobicContact CG1-CB 3.78Å; A376-A649 HydrophobicContact CB-CB 3.97Å; V634-A649 CarbonylContact C-O 3.57Å; N635-A649 PolarHBondContact N-O 3.01Å; E636-A649 PolarHBondContact N-O 3.04Å; E636-A649 PolarHBondContact O-N 3.47Å; A649-I655 HydrophobicContact CB-CG1 4.24Å
650	G	94.1	Very high	89.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.8	-174.5	0	0	0	0	0	115.8	V373 H630 S633 D652 K653 K654	V373-G650 PolarHBondContact N-O 3.33Å; V373-G650 CarbonylContact O-C 3.54Å; H630-G650 PolarHBondContact CE1-N 3.41Å; S633-G650 CarbonylContact O-C 3.57Å; S633-G650 WeakPolarHBondContact O-CA 3.17Å; G650-D652 PolarHBondContact O-N 2.88Å; G650-K653 PolarHBondContact O-N 2.93Å; G650-K654 PolarHBondContact N-O 3.08Å; G650-K654 VanDerWaalsContact N-O 3.12Å
651	S	92.7	Very high	88	Confident	17 Å²	17	23 Å²	23	12%	0.119	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.3	171.7	46.9	0	0	0	0	113.1	S633 N635 K653	S633-S651 PolarHBondContact N-OG 2.93Å; S633-S651 PolarHBondContact O-N 3.35Å; S633-S651 PolarHBondContact O-OG 2.78Å; S633-S651 PolarHBondContact OG-OG 3.24Å; N635-S651 PolarHBondContact ND2-N 2.9Å; S651-K653 PolarHBondContact O-N 2.77Å
652	D	93	Very high	86.6	Confident	27 Å²	27	21.6 Å²	21.6	14%	0.144	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	16	171.1	75.1	-34.5	0	0	0	114.9	H630 F631 G650 K654	H630-D652 WeakPolarHBondContact CA-OD2 3.32Å; H630-D652 IonicContact CE1-OD1 3.93Å; H630-D652 IonicContact CG-OD1 3.13Å; H630-D652 IonicContact ND1-OD1 2.69Å; H630-D652 PolarHBondContact ND1-OD1 3.33Å; H630-D652 IonicContact ND1-OD2 3.48Å; F631-D652 HydrophobicContact CB-CB 3.88Å; F631-D652 PolarHBondContact N-OD2 2.92Å; G650-D652 PolarHBondContact O-N 2.88Å; D652-K654 PolarHBondContact O-N 3.2Å; D652-K654 WeakPolarHBondContact OD2-CD 3.38Å; D652-K654 IonicContact OD2-NZ 2.7Å
653	K	94	Very high	85.8	Confident	100 Å²	100	18.5 Å²	18.5	44%	0.435	9%	0.09	S	C	.	.	S	Bend	trans	68.1	12.6	175.1	-36.2	-169.7	175.3	-174.1	0	114.5	M370 G371 G650 S651	M370-K653 WeakPolarHBondContact O-CD 3.4Å; M370-K653 WeakPolarHBondContact O-CE 3.24Å; M370-K653 PolarHBondContact O-NZ 3.32Å; G371-K653 WeakPolarHBondContact O-CB 3.44Å; G371-K653 VanDerWaalsContact O-CG 3.27Å; G371-K653 WeakPolarHBondContact O-CG 3.47Å; G650-K653 PolarHBondContact O-N 2.93Å; S651-K653 PolarHBondContact O-N 2.77Å
654	K	94.4	Very high	85.3	Confident	36 Å²	36	17.5 Å²	17.5	16%	0.157	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.5	-175.7	-65.3	-178.8	-164	158.2	0	111.6	L365 H630 G650 D652 Y656	L365-K654 HydrophobicContact CD1-CB 3.68Å; L365-K654 HydrophobicContact CD1-CD 3.74Å; L365-K654 HydrophobicContact CD1-CG 3.74Å; L365-K654 HydrophobicContact CD2-CD 4.3Å; H630-K654 PolarHBondContact CE1-O 3.05Å; G650-K654 PolarHBondContact N-O 3.08Å; G650-K654 VanDerWaalsContact N-O 3.12Å; D652-K654 PolarHBondContact O-N 3.2Å; D652-K654 WeakPolarHBondContact OD2-CD 3.38Å; D652-K654 IonicContact OD2-NZ 2.7Å; K654-Y656 HydrophobicContact CB-CE2 4.11Å; K654-Y656 HydrophobicContact CD-CE2 3.96Å
655	I	95.8	Very high	85.4	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.7	165.3	-53.7	158.4	0	0	0	106.6	L366 V373 S387 L647 S648 A649	L366-I655 HydrophobicContact CB-CB 4.24Å; L366-I655 HydrophobicContact CD1-CB 4.37Å; L366-I655 HydrophobicContact CD1-CG2 4.26Å; L366-I655 PolarHBondContact N-O 3.19Å; L366-I655 PolarHBondContact O-N 2.89Å; V373-I655 HydrophobicContact CG1-CD1 4.34Å; V373-I655 HydrophobicContact CG1-CG1 4.21Å; V373-I655 HydrophobicContact CG2-CG1 4.31Å; S387-I655 WeakPolarHBondContact OG-CD1 3.3Å; L647-I655 HydrophobicContact CD1-CG2 4.02Å; L647-I655 HydrophobicContact CD2-CG2 4.29Å; L647-I655 HydrophobicContact CG-CG2 3.9Å; S648-I655 CarbonylContact O-C 3.55Å; S648-I655 VanDerWaalsContact O-CA 3.29Å; S648-I655 WeakPolarHBondContact O-CA 3.5Å; A649-I655 HydrophobicContact CB-CG1 4.24Å
656	Y	94.9	Very high	85.1	Confident	40 Å²	40	19.2 Å²	19.2	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.3	171.1	-71.9	-83.2	0	0	0	109.6	I363 I364 L365 G629 H630 L647 S648 K654	I363-Y656 HydrophobicContact CG2-CD1 4.04Å; I364-Y656 WeakPolarHBondContact O-CA 3.34Å; L365-Y656 HydrophobicContact CB-CD1 4.07Å; L365-Y656 HydrophobicContact CB-CE1 3.87Å; L365-Y656 HydrophobicContact CD1-CD1 4.19Å; L365-Y656 HydrophobicContact CD1-CE1 3.85Å; L365-Y656 HydrophobicContact CD1-CE2 4.24Å; L365-Y656 HydrophobicContact CD2-CE1 4.16Å; L365-Y656 HydrophobicContact CG-CE1 4.16Å; G629-Y656 PolarHBondContact O-OH 2.73Å; H630-Y656 AromaticContact CD2-CD2 3.96Å; H630-Y656 AromaticContact CE1-CD2 3.68Å; H630-Y656 AromaticContact NE2-CD2 3.62Å; L647-Y656 CarbonylContact C-O 3.59Å; L647-Y656 WeakPolarHBondContact CA-O 3.06Å; S648-Y656 PolarHBondContact N-O 3.29Å; S648-Y656 PolarHBondContact O-N 3.38Å; K654-Y656 HydrophobicContact CB-CE2 4.11Å; K654-Y656 HydrophobicContact CD-CE2 3.96Å
657	M	92.5	Very high	84.7	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.3	162.1	-63.3	-172.9	-64.9	0	0	107.8	I363 I364 L366 F378 L385 V399 C403 I645 I646	I363-M657 CarbonylContact C-O 3.52Å; I363-M657 WeakPolarHBondContact CA-O 3.35Å; I364-M657 HydrophobicContact CB-CE 4.3Å; I364-M657 HydrophobicContact CG2-CE 4.1Å; I364-M657 PolarHBondContact N-O 3.3Å; I364-M657 PolarHBondContact O-N 3.33Å; L366-M657 HydrophobicContact CD1-CE 4.15Å; L366-M657 HydrophobicContact CD2-CE 4.14Å; L366-M657 HydrophobicContact CG-CE 4.37Å; F378-M657 HydrophobicContact CE1-SD 4.06Å; F378-M657 HydrophobicContact CZ-SD 4.31Å; L385-M657 HydrophobicContact CD2-CE 4.25Å; L385-M657 HydrophobicContact CD2-SD 3.56Å; L385-M657 VanDerWaalsContact CD2-SD 3.56Å; V399-M657 HydrophobicContact CG1-SD 4.31Å; C403-M657 HydrophobicContact CB-CE 4.37Å; I645-M657 HydrophobicContact CG2-CB 4.05Å; I646-M657 CarbonylContact O-C 3.52Å; I646-M657 WeakPolarHBondContact O-CA 3.36Å
658	G	86.7	Confident	84.2	Confident	11 Å²	11	20.9 Å²	20.9	11%	0.113	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.5	-178.9	0	0	0	0	0	113.7	P362 I645 I646	P362-G658 WeakPolarHBondContact O-CA 3.39Å; I645-G658 WeakPolarHBondContact CA-O 3.31Å; I646-G658 PolarHBondContact N-O 3.16Å; I646-G658 PolarHBondContact O-N 2.82Å
659	E	80.4	Confident	83.7	Confident	37 Å²	37	25.8 Å²	25.8	17%	0.173	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.1	168	-68.5	-172.1	-76.6	0	0	110	R355 F356 S357 L359 P362 P644	R355-E659 WeakPolarHBondContact CD-OE1 3.32Å; R355-E659 IonicContact NE-OE1 2.78Å; F356-E659 PolarHBondContact N-OE2 2.84Å; S357-E659 PolarHBondContact N-OE2 3.48Å; S357-E659 VanDerWaalsContact N-OE2 3.13Å; S357-E659 VanDerWaalsContact OG-CG 3.24Å; S357-E659 WeakPolarHBondContact OG-CG 3.27Å; S357-E659 PolarHBondContact OG-OE2 3.42Å; L359-E659 HydrophobicContact CD1-CG 4.25Å; P362-E659 WeakPolarHBondContact CA-OE1 3.42Å; P362-E659 WeakPolarHBondContact CB-OE1 3.5Å; P362-E659 PolarHBondContact O-N 3.2Å; P644-E659 WeakPolarHBondContact O-CA 3.22Å
660	L	73.2	Confident	83.2	Confident	9 Å²	9	26.2 Å²	26.2	5%	0.047	13%	0.13	C	C	.	.			trans	-92.4	147.4	170.2	-66.1	-178.3	0	0	0	110.9	V615 Y625 L627 F639 P644 I646 M662 E872	V615-L660 HydrophobicContact CG2-CD1 4.49Å; Y625-L660 HydrophobicContact CD2-CD1 4.22Å; Y625-L660 HydrophobicContact CD2-CD2 3.92Å; Y625-L660 HydrophobicContact CE2-CB 4.22Å; Y625-L660 HydrophobicContact CE2-CD1 4.12Å; Y625-L660 HydrophobicContact CE2-CD2 3.95Å; Y625-L660 HydrophobicContact CE2-CG 4.32Å; Y625-L660 HydrophobicContact CG-CD2 4.39Å; L627-L660 HydrophobicContact CD1-CD2 4.09Å; L627-L660 HydrophobicContact CD2-CD2 4.35Å; F639-L660 HydrophobicContact CE1-CD1 4.12Å; P644-L660 PolarHBondContact O-N 3.34Å; I646-L660 HydrophobicContact CB-CD1 3.83Å; I646-L660 HydrophobicContact CB-CG 4.29Å; I646-L660 HydrophobicContact CD1-CD1 4.36Å; I646-L660 HydrophobicContact CG2-CD1 3.8Å; I646-L660 HydrophobicContact CG2-CD2 3.99Å; I646-L660 HydrophobicContact CG2-CG 3.84Å; L660-M662 PolarHBondContact O-N 3.2Å; L660-E872 WeakPolarHBondContact CB-OE2 3.23Å; L660-E872 WeakPolarHBondContact CD1-OE1 3.49Å; L660-E872 VanDerWaalsContact CD1-OE2 3.28Å; L660-E872 WeakPolarHBondContact CD1-OE2 3.44Å
661	E	61.1	Low	82.8	Confident	55 Å²	55	33 Å²	33	26%	0.257	16%	0.156	S	C	.	.			trans	-61.5	106	-174.1	-65.7	-166.7	175.1	0	0	111.1	P692 N693 K753 F871	E661-P692 HydrophobicContact CB-CG 3.72Å; E661-P692 HydrophobicContact CG-CB 4.27Å; E661-P692 HydrophobicContact CG-CG 3.72Å; E661-N693 PolarHBondContact OE2-ND2 3.07Å; E661-K753 WeakPolarHBondContact OE1-CE 3.35Å; E661-K753 IonicContact OE1-NZ 2.72Å; E661-K753 PolarHBondContact OE1-NZ 2.92Å; E661-K753 IonicContact OE2-NZ 3.15Å; E661-K753 PolarHBondContact OE2-NZ 2.89Å; E661-F871 WeakPolarHBondContact O-CD1 3.42Å
662	M	57.3	Low	82.5	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.039	16%	0.159	C	C	.	.			trans	-69.9	165.6	156.7	-61.3	-160.6	-179.5	0	0	110.4	F356 P644 L660 P692 R873	F356-M662 HydrophobicContact CB-CE 4.02Å; F356-M662 HydrophobicContact CB-CG 4.04Å; F356-M662 HydrophobicContact CB-SD 4.03Å; F356-M662 HydrophobicContact CD1-CB 4.02Å; F356-M662 HydrophobicContact CD1-CE 4.31Å; F356-M662 HydrophobicContact CD1-CG 3.89Å; F356-M662 HydrophobicContact CD1-SD 3.39Å; F356-M662 WeakPolarHBondContact CD1-SD 3.48Å; F356-M662 HydrophobicContact CD2-CB 3.79Å; F356-M662 HydrophobicContact CD2-CG 3.91Å; F356-M662 HydrophobicContact CD2-SD 4.49Å; F356-M662 HydrophobicContact CE1-CB 3.86Å; F356-M662 HydrophobicContact CE1-CG 4.24Å; F356-M662 HydrophobicContact CE1-SD 3.85Å; F356-M662 HydrophobicContact CE2-CB 3.59Å; F356-M662 HydrophobicContact CE2-CG 4.23Å; F356-M662 HydrophobicContact CG-CB 3.98Å; F356-M662 HydrophobicContact CG-CE 4.4Å; F356-M662 HydrophobicContact CG-CG 3.71Å; F356-M662 HydrophobicContact CG-SD 3.76Å; F356-M662 HydrophobicContact CZ-CB 3.63Å; F356-M662 HydrophobicContact CZ-CG 4.39Å; P644-M662 HydrophobicContact CB-CE 4.2Å; P644-M662 HydrophobicContact CB-CG 4.2Å; P644-M662 HydrophobicContact CG-CE 3.51Å; P644-M662 HydrophobicContact CG-CG 3.89Å; P644-M662 HydrophobicContact CG-SD 4.5Å; L660-M662 PolarHBondContact O-N 3.2Å; M662-P692 WeakPolarHBondContact O-CD 3.5Å; M662-P692 WeakPolarHBondContact O-CG 3.18Å; M662-R873 WeakPolarHBondContact CA-O 3.41Å; M662-R873 WeakPolarHBondContact CB-O 3.4Å; M662-R873 HydrophobicContact CE-CB 3.83Å; M662-R873 HydrophobicContact CE-CG 4.25Å; M662-R873 HydrophobicContact CG-CB 4Å; M662-R873 HydrophobicContact SD-CB 3.73Å
663	A	63.1	Low	82.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	171.5	159	0	0	0	0	0	111.2	N693 Y867 F871 R873 C874 N875	A663-N693 VanDerWaalsContact CA-O 3.25Å; A663-N693 WeakPolarHBondContact CA-O 3.48Å; A663-N693 HydrophobicContact CB-CB 4.06Å; A663-N693 WeakPolarHBondContact CB-O 3.34Å; A663-Y867 HydrophobicContact CB-CE1 3.71Å; A663-F871 HydrophobicContact CB-CB 3.96Å; A663-F871 HydrophobicContact CB-CD1 3.94Å; A663-F871 HydrophobicContact CB-CD2 3.32Å; A663-F871 HydrophobicContact CB-CE1 4.32Å; A663-F871 HydrophobicContact CB-CE2 3.75Å; A663-F871 HydrophobicContact CB-CG 3.42Å; A663-F871 VanDerWaalsContact CB-CG 3.42Å; A663-F871 HydrophobicContact CB-CZ 4.23Å; A663-R873 PolarHBondContact N-O 3.4Å; A663-R873 VanDerWaalsContact N-O 3.08Å; A663-C874 WeakPolarHBondContact O-CA 3.36Å; A663-N875 PolarHBondContact O-N 3.11Å
664	T	70.3	Confident	82	Confident	6 Å²	6	29 Å²	29	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.2	173.7	58.5	0	0	0	0	110.8	W666 N693 A694 L695 N875	T664-W666 PolarHBondContact OG1-NE1 3.39Å; T664-W666 VanDerWaalsContact OG1-NE1 3.08Å; T664-N693 PolarHBondContact N-O 2.78Å; T664-A694 CarbonylContact O-C 3.56Å; T664-A694 WeakPolarHBondContact O-CA 3.1Å; T664-A694 WeakPolarHBondContact O-CB 3.49Å; T664-A694 WeakPolarHBondContact OG1-CB 3.33Å; T664-L695 PolarHBondContact O-N 2.77Å; T664-N875 HydrophobicContact CG2-CB 4.38Å
665	V	80.5	Confident	81.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119	175.3	179.5	0	0	0	0	107.5	L667 L695 V864 Y867 C874 N875 I876 H877	V665-L667 HydrophobicContact CG1-CD2 3.88Å; V665-L667 HydrophobicContact CG1-CG 4.2Å; V665-L695 CarbonylContact C-O 3.49Å; V665-L695 WeakPolarHBondContact CA-O 3.45Å; V665-V864 HydrophobicContact CG1-CG1 4.34Å; V665-V864 HydrophobicContact CG1-CG2 4.01Å; V665-Y867 HydrophobicContact CG2-CD1 3.66Å; V665-Y867 HydrophobicContact CG2-CE1 3.95Å; V665-C874 HydrophobicContact CG2-CB 4.37Å; V665-N875 PolarHBondContact N-O 2.72Å; V665-I876 HydrophobicContact CB-CG1 4.25Å; V665-I876 CarbonylContact O-C 3.4Å; V665-I876 WeakPolarHBondContact O-CA 3.37Å; V665-H877 PolarHBondContact O-N 3.08Å
666	W	83.1	Confident	81.4	Confident	40 Å²	40	29.1 Å²	29.1	15%	0.152	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.8	176.7	-63.9	81.3	0	0	0	108	T664 L683 L695 L696 I697 H877 V879 F887	T664-W666 PolarHBondContact OG1-NE1 3.39Å; T664-W666 VanDerWaalsContact OG1-NE1 3.08Å; W666-L683 HydrophobicContact CG-CD1 4.48Å; W666-L683 HydrophobicContact CZ2-CD2 4.42Å; W666-L695 PolarHBondContact N-O 3.4Å; W666-L696 HydrophobicContact CB-CB 4.22Å; W666-L696 HydrophobicContact CB-CD1 3.52Å; W666-L696 HydrophobicContact CB-CG 4.49Å; W666-L696 CarbonylContact O-C 3.55Å; W666-L696 WeakPolarHBondContact O-CA 3.4Å; W666-I697 PolarHBondContact O-N 3.2Å; W666-H877 HydrophobicContact CD2-CB 4.06Å; W666-H877 AromaticContact CE2-CD2 4Å; W666-H877 HydrophobicContact CE3-CB 3.6Å; W666-H877 HydrophobicContact CH2-CB 4.31Å; W666-H877 AromaticContact CH2-CD2 3.88Å; W666-H877 AromaticContact CZ2-CD2 3.77Å; W666-H877 HydrophobicContact CZ3-CB 3.74Å; W666-V879 HydrophobicContact CE3-CG2 3.81Å; W666-V879 HydrophobicContact CZ3-CG2 4.12Å; W666-F887 HydrophobicContact CE3-CZ 4.39Å; W666-F887 HydrophobicContact CH2-CE1 4.25Å; W666-F887 AromaticContact CZ3-CE1 3.89Å; W666-F887 HydrophobicContact CZ3-CE1 3.89Å; W666-F887 AromaticContact CZ3-CZ 3.79Å; W666-F887 HydrophobicContact CZ3-CZ 3.79Å
667	L	84.4	Confident	81.1	Confident	35 Å²	35	27.5 Å²	27.5	18%	0.183	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	104.2	176.4	-59	-178.9	0	0	0	107.6	V665 I697 I860 V864 I876 H877 T878 V879	V665-L667 HydrophobicContact CG1-CD2 3.88Å; V665-L667 HydrophobicContact CG1-CG 4.2Å; L667-I697 WeakPolarHBondContact CA-O 3.13Å; L667-I697 HydrophobicContact CD2-CB 3.82Å; L667-I697 HydrophobicContact CD2-CD1 3.88Å; L667-I697 HydrophobicContact CD2-CG1 4.01Å; L667-I860 HydrophobicContact CD2-CG2 4.48Å; L667-V864 HydrophobicContact CD2-CG2 4.32Å; L667-I876 HydrophobicContact CD1-CG2 3.64Å; L667-I876 HydrophobicContact CG-CG2 4.04Å; L667-H877 PolarHBondContact N-O 3.31Å; L667-T878 HydrophobicContact CB-CG2 4.11Å; L667-T878 HydrophobicContact CD1-CG2 4.14Å; L667-T878 CarbonylContact O-C 3.56Å; L667-T878 WeakPolarHBondContact O-CA 3.48Å; L667-V879 PolarHBondContact O-N 2.83Å
668	S	86	Confident	80.8	Confident	7 Å²	7	27.4 Å²	27.4	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.9	174.6	76.5	0	0	0	0	111.4	N676 I697 W698 V879	S668-N676 WeakPolarHBondContact CB-OD1 3.39Å; S668-N676 PolarHBondContact OG-OD1 2.9Å; S668-I697 PolarHBondContact N-O 3.35Å; S668-I697 VanDerWaalsContact N-O 3.1Å; S668-W698 WeakPolarHBondContact OG-CB 3.09Å; S668-V879 WeakPolarHBondContact CA-O 3.37Å
669	N	84.2	Confident	80.8	Confident	111 Å²	111	26.9 Å²	26.9	59%	0.594	13%	0.127	S	C	*	.			trans	-92.9	-9.3	174	-67.9	-31.5	0	0	0	112.1	R671 V879	N669-R671 PolarHBondContact O-N 3.35Å; N669-V879 PolarHBondContact N-O 2.95Å
670	S	86.1	Confident	81	Confident	10 Å²	10	25.6 Å²	25.6	7%	0.07	12%	0.121	C	C	.	.			trans	-61.6	126.9	174.3	-176	0	0	0	0	110	C672 E675 N676 K699 A880	S670-C672 VanDerWaalsContact C-N 3.28Å; S670-C672 PolarHBondContact OG-N 3.08Å; S670-E675 VanDerWaalsContact CB-OE2 3.29Å; S670-E675 WeakPolarHBondContact CB-OE2 3.5Å; S670-E675 PolarHBondContact OG-OE1 3.44Å; S670-E675 PolarHBondContact OG-OE2 3.34Å; S670-N676 PolarHBondContact O-ND2 2.83Å; S670-K699 VanDerWaalsContact O-O 3.06Å; S670-A880 PolarHBondContact N-O 3.1Å
671	R	85.2	Confident	81.5	Confident	143 Å²	143	26.1 Å²	26.1	54%	0.54	12%	0.123	S	C	.	.			trans	-86.4	-0	175.1	-55.9	-167.3	-170.3	-166.4	3.9	113.1	N669 N700 R701 E742	N669-R671 PolarHBondContact O-N 3.35Å; R671-N700 WeakPolarHBondContact O-CA 3.42Å; R671-N700 WeakPolarHBondContact O-CB 3.49Å; R671-R701 HydrophobicContact CB-CG 4.25Å; R671-R701 PolarHBondContact O-N 3.25Å; R671-E742 WeakPolarHBondContact CD-OE1 3.48Å; R671-E742 IonicContact CZ-OE1 3.04Å; R671-E742 VanDerWaalsContact NH1-CD 3.28Å; R671-E742 IonicContact NH1-OE1 3.81Å; R671-E742 PolarHBondContact NH1-OE1 2.8Å; R671-E742 IonicContact NH1-OE2 3.58Å; R671-E742 PolarHBondContact NH1-OE2 2.85Å
672	C	87	Confident	82.5	Confident	28 Å²	28	25.6 Å²	25.6	19%	0.189	12%	0.119	C	C	.	.			trans	-82	118.1	-176.8	180	0	0	0	0	110.4	S670 Y674 E675 N676	S670-C672 VanDerWaalsContact C-N 3.28Å; S670-C672 PolarHBondContact OG-N 3.08Å; C672-Y674 VanDerWaalsContact C-N 3.31Å; C672-Y674 PolarHBondContact O-N 3.33Å; C672-E675 HydrophobicContact CB-CB 3.95Å; C672-E675 HydrophobicContact CB-CG 3.97Å; C672-E675 WeakPolarHBondContact CB-OE1 3.29Å; C672-E675 PolarHBondContact O-N 2.61Å; C672-E675 PolarHBondContact SG-OE1 3.5Å; C672-N676 PolarHBondContact O-N 2.82Å; C672-N676 VanDerWaalsContact O-N 3.13Å; C672-N676 PolarHBondContact O-ND2 2.93Å
673	I	87.2	Confident	83.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-36.1	-178.9	178.9	60.3	0	0	0	112.3	N676 L677 W698 N700 A703 V705 D727 V729	I673-N676 PolarHBondContact O-N 3.02Å; I673-L677 HydrophobicContact CD1-CD1 3.77Å; I673-L677 HydrophobicContact CD1-CG 3.82Å; I673-L677 HydrophobicContact CG1-CD1 3.86Å; I673-L677 HydrophobicContact CG1-CG 4.33Å; I673-L677 WeakPolarHBondContact O-CB 3.45Å; I673-L677 WeakPolarHBondContact O-CG 3.23Å; I673-L677 PolarHBondContact O-N 3.05Å; I673-W698 HydrophobicContact CD1-CH2 3.51Å; I673-W698 HydrophobicContact CD1-CZ3 3.52Å; I673-N700 HydrophobicContact CB-CB 4.4Å; I673-A703 HydrophobicContact CB-CB 4.02Å; I673-A703 HydrophobicContact CG1-CB 3.95Å; I673-A703 HydrophobicContact CG2-CB 3.96Å; I673-V705 HydrophobicContact CD1-CG2 3.67Å; I673-V705 HydrophobicContact CG1-CG2 4.04Å; I673-D727 HydrophobicContact CG2-CB 3.56Å; I673-V729 HydrophobicContact CB-CG2 4.36Å; I673-V729 HydrophobicContact CG1-CB 4.42Å; I673-V729 HydrophobicContact CG1-CG2 3.79Å; I673-V729 HydrophobicContact CG2-CG2 3.62Å
674	Y	88.5	Confident	84.2	Confident	30 Å²	30	26.4 Å²	26.4	12%	0.118	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-42.9	177.6	-50.4	-87.5	0	0	0	112	C672 A678 D727 V729 L897 R898	C672-Y674 VanDerWaalsContact C-N 3.31Å; C672-Y674 PolarHBondContact O-N 3.33Å; Y674-A678 WeakPolarHBondContact O-CB 3.45Å; Y674-A678 PolarHBondContact O-N 3.03Å; Y674-D727 HydrophobicContact CE2-CB 4.35Å; Y674-D727 VanDerWaalsContact CE2-CG 3.48Å; Y674-D727 WeakPolarHBondContact CE2-OD1 3.4Å; Y674-D727 PolarHBondContact OH-OD1 2.91Å; Y674-V729 HydrophobicContact CD1-CG1 3.85Å; Y674-V729 HydrophobicContact CD1-CG2 3.98Å; Y674-V729 HydrophobicContact CE1-CB 4.29Å; Y674-V729 HydrophobicContact CE1-CG1 3.89Å; Y674-V729 HydrophobicContact CE1-CG2 3.51Å; Y674-V729 HydrophobicContact CE2-CG2 4.44Å; Y674-L897 HydrophobicContact CD1-CB 4.15Å; Y674-R898 HydrophobicContact CD1-CB 4.46Å; Y674-R898 HydrophobicContact CD1-CG 3.46Å; Y674-R898 VanDerWaalsContact CD1-CG 3.46Å; Y674-R898 HydrophobicContact CD2-CG 4.46Å; Y674-R898 HydrophobicContact CE1-CB 4.44Å; Y674-R898 HydrophobicContact CE1-CG 3.65Å; Y674-R898 HydrophobicContact CG-CG 3.92Å
675	E	88.5	Confident	84.4	Confident	39 Å²	39	29.2 Å²	29.2	18%	0.182	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-45.8	175.8	-79.5	171.3	-119.9	0	0	111.6	S670 C672 A678 L679 V882 I894	S670-E675 VanDerWaalsContact CB-OE2 3.29Å; S670-E675 WeakPolarHBondContact CB-OE2 3.5Å; S670-E675 PolarHBondContact OG-OE1 3.44Å; S670-E675 PolarHBondContact OG-OE2 3.34Å; C672-E675 HydrophobicContact CB-CB 3.95Å; C672-E675 HydrophobicContact CB-CG 3.97Å; C672-E675 WeakPolarHBondContact CB-OE1 3.29Å; C672-E675 PolarHBondContact O-N 2.61Å; C672-E675 PolarHBondContact SG-OE1 3.5Å; E675-A678 PolarHBondContact O-N 3.34Å; E675-L679 VanDerWaalsContact O-CB 3.32Å; E675-L679 WeakPolarHBondContact O-CB 3.38Å; E675-L679 PolarHBondContact O-N 3.32Å; E675-V882 HydrophobicContact CB-CB 3.97Å; E675-V882 HydrophobicContact CB-CG2 3.8Å; E675-V882 HydrophobicContact CG-CB 4.11Å; E675-V882 HydrophobicContact CG-CG2 4.42Å; E675-V882 PolarHBondContact OE2-N 3.34Å; E675-I894 HydrophobicContact CG-CD1 3.92Å
676	N	89.4	Confident	83.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.7	-38.5	-178.2	-69.9	-35.8	0	0	0	112.8	S668 S670 C672 I673 L679 E680 W698 K699	S668-N676 WeakPolarHBondContact CB-OD1 3.39Å; S668-N676 PolarHBondContact OG-OD1 2.9Å; S670-N676 PolarHBondContact O-ND2 2.83Å; C672-N676 PolarHBondContact O-N 2.82Å; C672-N676 VanDerWaalsContact O-N 3.13Å; C672-N676 PolarHBondContact O-ND2 2.93Å; I673-N676 PolarHBondContact O-N 3.02Å; N676-L679 PolarHBondContact O-N 3.44Å; N676-E680 WeakPolarHBondContact O-CB 3.26Å; N676-E680 PolarHBondContact O-N 3.25Å; N676-W698 HydrophobicContact CB-CD2 3.7Å; N676-W698 HydrophobicContact CB-CE3 3.27Å; N676-W698 HydrophobicContact CB-CG 4.37Å; N676-W698 HydrophobicContact CB-CH2 4.15Å; N676-W698 HydrophobicContact CB-CZ3 3.53Å; N676-K699 PolarHBondContact ND2-O 3.4Å; N676-K699 VanDerWaalsContact ND2-O 3.08Å
677	L	87.7	Confident	82.8	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-70.6	-30.4	172.7	-71.1	175.5	0	0	0	112.5	I673 H681 W698 V705 V729 L897	I673-L677 HydrophobicContact CD1-CD1 3.77Å; I673-L677 HydrophobicContact CD1-CG 3.82Å; I673-L677 HydrophobicContact CG1-CD1 3.86Å; I673-L677 HydrophobicContact CG1-CG 4.33Å; I673-L677 WeakPolarHBondContact O-CB 3.45Å; I673-L677 WeakPolarHBondContact O-CG 3.23Å; I673-L677 PolarHBondContact O-N 3.05Å; L677-H681 WeakPolarHBondContact O-CB 3.25Å; L677-H681 PolarHBondContact O-N 3.48Å; L677-W698 HydrophobicContact CD2-CH2 4.05Å; L677-W698 HydrophobicContact CD2-CZ2 4.19Å; L677-W698 HydrophobicContact CG-CH2 4.28Å; L677-V705 HydrophobicContact CD1-CG1 4.35Å; L677-V705 HydrophobicContact CD1-CG2 4.18Å; L677-V729 HydrophobicContact CD1-CB 4.01Å; L677-V729 HydrophobicContact CD1-CG1 3.74Å; L677-L897 HydrophobicContact CB-CD1 4.06Å; L677-L897 HydrophobicContact CB-CD2 4.03Å; L677-L897 HydrophobicContact CD1-CD2 4.33Å
678	A	87	Confident	81.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.5	-40.6	172.4	0	0	0	0	0	111.4	Y674 E675 H681 W682 V890 M893 I894 L897	Y674-A678 WeakPolarHBondContact O-CB 3.45Å; Y674-A678 PolarHBondContact O-N 3.03Å; E675-A678 PolarHBondContact O-N 3.34Å; A678-H681 PolarHBondContact O-N 2.95Å; A678-W682 WeakPolarHBondContact O-CB 3.38Å; A678-W682 PolarHBondContact O-N 3.13Å; A678-V890 HydrophobicContact CB-CG1 3.94Å; A678-M893 HydrophobicContact CB-CB 4.12Å; A678-I894 HydrophobicContact CB-CD1 4.32Å; A678-I894 HydrophobicContact CB-CG1 3.51Å; A678-L897 HydrophobicContact CB-CD1 3.75Å
679	L	86.4	Confident	79.4	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-45.8	172.2	-178.3	65.8	0	0	0	111.1	E675 N676 H681 W682 L683 L696 V882 F887	E675-L679 VanDerWaalsContact O-CB 3.32Å; E675-L679 WeakPolarHBondContact O-CB 3.38Å; E675-L679 PolarHBondContact O-N 3.32Å; N676-L679 PolarHBondContact O-N 3.44Å; L679-H681 VanDerWaalsContact C-N 3.32Å; L679-H681 PolarHBondContact O-N 2.97Å; L679-W682 PolarHBondContact O-N 2.96Å; L679-L683 HydrophobicContact CD1-CD1 4.13Å; L679-L683 HydrophobicContact CD1-CG 4.3Å; L679-L683 HydrophobicContact CG-CD1 3.94Å; L679-L683 VanDerWaalsContact O-CB 3.28Å; L679-L683 WeakPolarHBondContact O-CB 3.39Å; L679-L683 WeakPolarHBondContact O-CD1 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.18Å; L679-L683 PolarHBondContact O-N 3.37Å; L679-L696 HydrophobicContact CD2-CD1 3.73Å; L679-L696 HydrophobicContact CG-CD1 4.41Å; L679-V882 HydrophobicContact CB-CG1 4.24Å; L679-V882 HydrophobicContact CB-CG2 4.1Å; L679-V882 HydrophobicContact CD1-CG1 4.3Å; L679-V882 HydrophobicContact CD2-CG2 4.1Å; L679-F887 HydrophobicContact CD1-CD1 3.9Å; L679-F887 HydrophobicContact CD1-CD2 4.26Å; L679-F887 HydrophobicContact CD1-CE1 3.57Å; L679-F887 HydrophobicContact CD1-CE2 3.96Å; L679-F887 HydrophobicContact CD1-CG 4.23Å; L679-F887 HydrophobicContact CD1-CZ 3.6Å
680	E	84.5	Confident	77.5	Confident	9 Å²	9	34.5 Å²	34.5	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-53.1	-49	170.5	178.9	-167.8	135.7	0	0	111	N676 L684 L696 Y806 H808	N676-E680 WeakPolarHBondContact O-CB 3.26Å; N676-E680 PolarHBondContact O-N 3.25Å; E680-L684 HydrophobicContact CG-CD1 4.08Å; E680-L684 WeakPolarHBondContact O-CB 3.47Å; E680-L684 VanDerWaalsContact O-CG 3.27Å; E680-L684 WeakPolarHBondContact O-CG 3.49Å; E680-L684 PolarHBondContact O-N 3.04Å; E680-L696 HydrophobicContact CB-CD2 4.33Å; E680-Y806 HydrophobicContact CG-CE2 4.33Å; E680-Y806 WeakPolarHBondContact CG-OH 3.49Å; E680-Y806 PolarHBondContact OE1-OH 3.07Å; E680-Y806 VanDerWaalsContact OE1-OH 3.12Å; E680-Y806 PolarHBondContact OE2-OH 3.35Å; E680-H808 IonicContact OE2-CD2 2.9Å; E680-H808 PolarHBondContact OE2-CD2 3.39Å
681	H	82.9	Confident	75.9	Confident	21 Å²	21	35.2 Å²	35.2	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-72	-36.1	-177.1	-164.7	-118.5	0	0	0	113.3	L677 A678 L679 L684 T685 Y732 M893	L677-H681 WeakPolarHBondContact O-CB 3.25Å; L677-H681 PolarHBondContact O-N 3.48Å; A678-H681 PolarHBondContact O-N 2.95Å; L679-H681 VanDerWaalsContact C-N 3.32Å; L679-H681 PolarHBondContact O-N 2.97Å; H681-L684 WeakPolarHBondContact O-CB 3.34Å; H681-L684 PolarHBondContact O-N 3.31Å; H681-T685 WeakPolarHBondContact O-CB 3.21Å; H681-T685 WeakPolarHBondContact O-CG2 3.35Å; H681-T685 PolarHBondContact O-N 3.08Å; H681-T685 PolarHBondContact O-OG1 2.75Å; H681-Y732 HydrophobicContact CB-CD2 3.97Å; H681-Y732 HydrophobicContact CB-CE2 3.84Å; H681-Y732 AromaticContact CD2-CD2 3.4Å; H681-Y732 VanDerWaalsContact CD2-CD2 3.4Å; H681-Y732 WeakPolarHBondContact CD2-CD2 3.4Å; H681-Y732 AromaticContact CD2-CE2 3.84Å; H681-Y732 AromaticContact CD2-CG 3.53Å; H681-Y732 AromaticContact CE1-CD1 3.79Å; H681-Y732 AromaticContact CE1-CE1 3.64Å; H681-Y732 AromaticContact CE1-CZ 3.76Å; H681-Y732 AromaticContact CG-CD2 3.52Å; H681-Y732 AromaticContact CG-CE2 3.49Å; H681-Y732 VanDerWaalsContact CG-CE2 3.49Å; H681-Y732 AromaticContact CG-CZ 3.98Å; H681-Y732 AromaticContact ND1-CE1 4Å; H681-Y732 AromaticContact ND1-CE2 3.63Å; H681-Y732 AromaticContact ND1-CZ 3.62Å; H681-Y732 AromaticContact NE2-CD1 3.59Å; H681-Y732 AromaticContact NE2-CD2 3.85Å; H681-Y732 AromaticContact NE2-CE1 3.94Å; H681-Y732 AromaticContact NE2-CG 3.55Å; H681-M893 HydrophobicContact CB-SD 4.08Å; H681-M893 PolarHBondContact ND1-SD 3.37Å
682	W	82.8	Confident	74.7	Confident	43 Å²	43	28.9 Å²	28.9	16%	0.163	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-47.5	174.7	-172.1	98.9	0	0	0	110.5	A678 L679 L684 T685 N686 F887 P888 V890 M893	A678-W682 WeakPolarHBondContact O-CB 3.38Å; A678-W682 PolarHBondContact O-N 3.13Å; L679-W682 PolarHBondContact O-N 2.96Å; W682-L684 PolarHBondContact O-N 2.96Å; W682-T685 PolarHBondContact O-N 3.15Å; W682-T685 PolarHBondContact O-OG1 3.02Å; W682-N686 VanDerWaalsContact CD1-ND2 3.26Å; W682-N686 HydrophobicContact CD2-CB 4.28Å; W682-N686 HydrophobicContact CE3-CB 4.49Å; W682-N686 HydrophobicContact CH2-CB 4.48Å; W682-N686 HydrophobicContact CZ2-CB 4.27Å; W682-N686 PolarHBondContact NE1-ND2 3.48Å; W682-N686 WeakPolarHBondContact O-CB 3.12Å; W682-N686 PolarHBondContact O-N 3.25Å; W682-F887 HydrophobicContact CD2-CB 4.13Å; W682-F887 AromaticContact CD2-CD1 3.98Å; W682-F887 HydrophobicContact CD2-CD1 3.98Å; W682-F887 AromaticContact CE3-CD1 3.71Å; W682-F887 HydrophobicContact CE3-CD1 3.71Å; W682-F887 HydrophobicContact CE3-CE1 4.4Å; W682-F887 HydrophobicContact CG-CB 4.33Å; W682-F887 HydrophobicContact CH2-CD1 4.03Å; W682-F887 HydrophobicContact CZ2-CB 4.43Å; W682-F887 HydrophobicContact CZ2-CD1 4.26Å; W682-F887 AromaticContact CZ3-CD1 3.75Å; W682-F887 HydrophobicContact CZ3-CD1 3.75Å; W682-F887 HydrophobicContact CZ3-CE1 4.26Å; W682-P888 HydrophobicContact CZ2-CG 4.41Å; W682-P888 PolarHBondContact NE1-O 2.69Å; W682-V890 HydrophobicContact CB-CG2 3.86Å; W682-V890 HydrophobicContact CG-CG2 3.78Å; W682-M893 HydrophobicContact CB-CE 4.42Å; W682-M893 HydrophobicContact CB-SD 4.22Å
683	L	79.2	Confident	74.1	Confident	9 Å²	9	28 Å²	28	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-24.5	172.8	-69.7	167.5	0	0	0	112.2	W666 L679 W687 L696 L750	W666-L683 HydrophobicContact CG-CD1 4.48Å; W666-L683 HydrophobicContact CZ2-CD2 4.42Å; L679-L683 HydrophobicContact CD1-CD1 4.13Å; L679-L683 HydrophobicContact CD1-CG 4.3Å; L679-L683 HydrophobicContact CG-CD1 3.94Å; L679-L683 VanDerWaalsContact O-CB 3.28Å; L679-L683 WeakPolarHBondContact O-CB 3.39Å; L679-L683 WeakPolarHBondContact O-CD1 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.18Å; L679-L683 PolarHBondContact O-N 3.37Å; L683-W687 HydrophobicContact CB-CE3 4.45Å; L683-W687 HydrophobicContact CD2-CE3 4.2Å; L683-W687 HydrophobicContact CD2-CZ3 3.74Å; L683-W687 WeakPolarHBondContact O-CB 3.31Å; L683-W687 VanDerWaalsContact O-CE3 3.24Å; L683-L696 HydrophobicContact CD1-CB 4.38Å; L683-L696 HydrophobicContact CD1-CD1 4.36Å; L683-L696 HydrophobicContact CD1-CD2 4.08Å; L683-L696 HydrophobicContact CD1-CG 4.5Å; L683-L750 WeakPolarHBondContact O-CD2 3.18Å
684	L	76.9	Confident	73.7	Confident	16 Å²	16	28.1 Å²	28.1	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-85.1	-30.2	174.8	-80.9	168.3	0	0	0	114.9	E680 H681 W682 L750 Y806	E680-L684 HydrophobicContact CG-CD1 4.08Å; E680-L684 WeakPolarHBondContact O-CB 3.47Å; E680-L684 VanDerWaalsContact O-CG 3.27Å; E680-L684 WeakPolarHBondContact O-CG 3.49Å; E680-L684 PolarHBondContact O-N 3.04Å; H681-L684 WeakPolarHBondContact O-CB 3.34Å; H681-L684 PolarHBondContact O-N 3.31Å; W682-L684 PolarHBondContact O-N 2.96Å; L684-L750 HydrophobicContact CD2-CD1 3.71Å; L684-Y806 HydrophobicContact CD1-CD1 4.04Å; L684-Y806 HydrophobicContact CD1-CD2 4.26Å; L684-Y806 HydrophobicContact CD1-CE1 4.08Å; L684-Y806 HydrophobicContact CD1-CE2 4.28Å; L684-Y806 HydrophobicContact CD1-CG 4.13Å; L684-Y806 HydrophobicContact CD2-CD1 4.29Å; L684-Y806 HydrophobicContact CD2-CD2 3.71Å; L684-Y806 HydrophobicContact CD2-CE2 4.42Å; L684-Y806 HydrophobicContact CD2-CG 3.61Å; L684-Y806 HydrophobicContact CG-CD2 4.26Å; L684-Y806 HydrophobicContact CG-CG 4.38Å
685	T	75	Confident	73.6	Confident	65 Å²	65	26.7 Å²	26.7	40%	0.399	14%	0.138	S	C	.	.	H	α-helix	trans	-93.4	-41.2	-175.1	45.8	0	0	0	0	112	H681 W682 W687	H681-T685 WeakPolarHBondContact O-CB 3.21Å; H681-T685 WeakPolarHBondContact O-CG2 3.35Å; H681-T685 PolarHBondContact O-N 3.08Å; H681-T685 PolarHBondContact O-OG1 2.75Å; W682-T685 PolarHBondContact O-N 3.15Å; W682-T685 PolarHBondContact O-OG1 3.02Å; T685-W687 VanDerWaalsContact C-N 3.34Å
686	N	69.5	Low	73.5	Confident	86 Å²	86	25.1 Å²	25.1	46%	0.46	13%	0.131	S	C	.	.	S	Bend	trans	-96.6	17.4	178.9	-61.2	-33	0	0	0	112.2	W682 D688	W682-N686 VanDerWaalsContact CD1-ND2 3.26Å; W682-N686 HydrophobicContact CD2-CB 4.28Å; W682-N686 HydrophobicContact CE3-CB 4.49Å; W682-N686 HydrophobicContact CH2-CB 4.48Å; W682-N686 HydrophobicContact CZ2-CB 4.27Å; W682-N686 PolarHBondContact NE1-ND2 3.48Å; W682-N686 WeakPolarHBondContact O-CB 3.12Å; W682-N686 PolarHBondContact O-N 3.25Å; N686-D688 PolarHBondContact O-N 3.21Å
687	W	60	Low	73.5	Confident	28 Å²	28	25.4 Å²	25.4	11%	0.106	13%	0.132	C	C	.	.			trans	-63.6	120.7	175.3	-152.5	-116.9	0	0	0	111.2	L683 T685 C691 A694 L750	L683-W687 HydrophobicContact CB-CE3 4.45Å; L683-W687 HydrophobicContact CD2-CE3 4.2Å; L683-W687 HydrophobicContact CD2-CZ3 3.74Å; L683-W687 WeakPolarHBondContact O-CB 3.31Å; L683-W687 VanDerWaalsContact O-CE3 3.24Å; T685-W687 VanDerWaalsContact C-N 3.34Å; W687-C691 VanDerWaalsContact CE2-O 3.28Å; W687-C691 HydrophobicContact CH2-CB 3.81Å; W687-C691 HydrophobicContact CZ2-CB 3.36Å; W687-C691 WeakPolarHBondContact CZ2-O 3.3Å; W687-C691 PolarHBondContact NE1-O 2.67Å; W687-A694 HydrophobicContact CH2-CB 3.46Å; W687-A694 VanDerWaalsContact CH2-CB 3.46Å; W687-A694 HydrophobicContact CZ2-CB 3.61Å; W687-A694 HydrophobicContact CZ3-CB 4.4Å; W687-L750 HydrophobicContact CB-CD2 4.42Å; W687-L750 HydrophobicContact CD2-CD2 3.35Å; W687-L750 HydrophobicContact CD2-CG 4.2Å; W687-L750 HydrophobicContact CE3-CD2 3.68Å; W687-L750 HydrophobicContact CG-CD2 3.68Å; W687-L750 HydrophobicContact CG-CG 4.31Å; W687-L750 HydrophobicContact CH2-CD2 4.5Å; W687-L750 HydrophobicContact CZ2-CD2 4.2Å; W687-L750 HydrophobicContact CZ3-CD2 4.26Å
688	D	51.9	Low	73.7	Confident	43 Å²	43	25.3 Å²	25.3	23%	0.23	13%	0.131	C	C	.	.			trans	-86.3	144.8	173.4	-157.4	-17.2	0	0	0	110.2	S353 R354 N686 S690 C691	S353-D688 VanDerWaalsContact CA-OD1 3.28Å; S353-D688 WeakPolarHBondContact CA-OD1 3.44Å; S353-D688 VanDerWaalsContact CA-OD2 3.26Å; S353-D688 WeakPolarHBondContact CA-OD2 3.44Å; S353-D688 WeakPolarHBondContact CB-OD1 3.38Å; R354-D688 PolarHBondContact N-OD2 3.25Å; N686-D688 PolarHBondContact O-N 3.21Å; D688-S690 PolarHBondContact O-N 3.48Å; D688-C691 PolarHBondContact O-N 2.92Å
689	Q	47.9	Very low	73.6	Confident	130 Å²	130	27.4 Å²	27.4	61%	0.607	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.3	-178	-73.3	-172.6	-65.9	0	0	113.2	C691	Q689-C691 VanDerWaalsContact C-N 3.32Å
690	S	44.8	Very low	73.7	Confident	18 Å²	18	27.5 Å²	27.5	13%	0.126	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.7	175.3	52.9	0	0	0	0	113.3	R354 F356 D688 P692	R354-S690 VanDerWaalsContact C-OG 3.25Å; R354-S690 PolarHBondContact N-OG 3.47Å; R354-S690 WeakPolarHBondContact O-CB 3.3Å; R354-S690 PolarHBondContact O-OG 2.83Å; F356-S690 WeakPolarHBondContact CD2-O 2.98Å; F356-S690 WeakPolarHBondContact CE2-O 3.49Å; D688-S690 PolarHBondContact O-N 3.48Å; S690-P692 WeakPolarHBondContact O-CD 3.42Å
691	C	51	Low	73.8	Confident	24 Å²	24	34.8 Å²	34.8	16%	0.162	17%	0.168	C	C	.	.			trans	-91	95.6	172.8	-64.3	0	0	0	0	109.4	F356 W687 D688 Q689 N693	F356-C691 HydrophobicContact CZ-CB 3.91Å; F356-C691 WeakPolarHBondContact CZ-SG 3.37Å; W687-C691 VanDerWaalsContact CE2-O 3.28Å; W687-C691 HydrophobicContact CH2-CB 3.81Å; W687-C691 HydrophobicContact CZ2-CB 3.36Å; W687-C691 WeakPolarHBondContact CZ2-O 3.3Å; W687-C691 PolarHBondContact NE1-O 2.67Å; D688-C691 PolarHBondContact O-N 2.92Å; Q689-C691 VanDerWaalsContact C-N 3.32Å; C691-N693 PolarHBondContact O-N 3.18Å
692	P	60.7	Low	74	Confident	11 Å²	11	34.6 Å²	34.6	7%	0.071	17%	0.169	C	C	.	.			trans	-71.8	-34.2	-172.3	30.1	-33.2	0	0	0	111.4	E661 M662 S690 T751 S752	E661-P692 HydrophobicContact CB-CG 3.72Å; E661-P692 HydrophobicContact CG-CB 4.27Å; E661-P692 HydrophobicContact CG-CG 3.72Å; M662-P692 WeakPolarHBondContact O-CD 3.5Å; M662-P692 WeakPolarHBondContact O-CG 3.18Å; S690-P692 WeakPolarHBondContact O-CD 3.42Å; P692-T751 CarbonylContact O-C 3.59Å; P692-T751 VanDerWaalsContact O-CA 3.25Å; P692-T751 WeakPolarHBondContact O-CA 3.07Å; P692-S752 WeakPolarHBondContact CA-OG 3.39Å; P692-S752 WeakPolarHBondContact CB-OG 3.29Å; P692-S752 PolarHBondContact O-N 3.04Å; P692-S752 PolarHBondContact O-OG 3.19Å
693	N	74.2	Confident	74.2	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.6	-174.4	-45.5	-77.7	0	0	0	111.5	E661 A663 T664 C691 L750 F871	E661-N693 PolarHBondContact OE2-ND2 3.07Å; A663-N693 VanDerWaalsContact CA-O 3.25Å; A663-N693 WeakPolarHBondContact CA-O 3.48Å; A663-N693 HydrophobicContact CB-CB 4.06Å; A663-N693 WeakPolarHBondContact CB-O 3.34Å; T664-N693 PolarHBondContact N-O 2.78Å; C691-N693 PolarHBondContact O-N 3.18Å; N693-L750 CarbonylContact C-O 3.58Å; N693-L750 VanDerWaalsContact CA-O 3.32Å; N693-L750 WeakPolarHBondContact CA-O 3.3Å; N693-F871 HydrophobicContact CB-CE1 4.05Å; N693-F871 HydrophobicContact CB-CE2 4.41Å; N693-F871 HydrophobicContact CB-CZ 3.76Å; N693-F871 WeakPolarHBondContact ND2-CE1 3.41Å
694	A	79.2	Confident	74.5	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.041	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157.8	170.5	0	0	0	0	0	113.2	T664 W687 Y749 L750 Y867	T664-A694 CarbonylContact O-C 3.56Å; T664-A694 WeakPolarHBondContact O-CA 3.1Å; T664-A694 WeakPolarHBondContact O-CB 3.49Å; T664-A694 WeakPolarHBondContact OG1-CB 3.33Å; W687-A694 HydrophobicContact CH2-CB 3.46Å; W687-A694 VanDerWaalsContact CH2-CB 3.46Å; W687-A694 HydrophobicContact CZ2-CB 3.61Å; W687-A694 HydrophobicContact CZ3-CB 4.4Å; A694-Y749 WeakPolarHBondContact O-CA 3.16Å; A694-L750 HydrophobicContact CB-CB 4.34Å; A694-L750 PolarHBondContact N-O 3.41Å; A694-L750 PolarHBondContact O-N 3.19Å; A694-Y867 VanDerWaalsContact CA-OH 3.3Å; A694-Y867 WeakPolarHBondContact CA-OH 3.47Å; A694-Y867 PolarHBondContact N-OH 3.44Å; A694-Y867 PolarHBondContact O-OH 2.9Å
695	L	85.3	Confident	74.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	104.9	175.9	172.8	53.4	0	0	0	109.3	T664 V665 W666 I697 F747 Y749 I863 Y867	T664-L695 PolarHBondContact O-N 2.77Å; V665-L695 CarbonylContact C-O 3.49Å; V665-L695 WeakPolarHBondContact CA-O 3.45Å; W666-L695 PolarHBondContact N-O 3.4Å; L695-I697 HydrophobicContact CD1-CG1 4.02Å; L695-I697 HydrophobicContact CD2-CD1 4.07Å; L695-I697 HydrophobicContact CD2-CG1 4.26Å; L695-I697 HydrophobicContact CG-CD1 4.15Å; L695-I697 HydrophobicContact CG-CG1 3.79Å; L695-F747 HydrophobicContact CD1-CB 4.28Å; L695-F747 HydrophobicContact CD1-CD1 4.45Å; L695-Y749 HydrophobicContact CD1-CD1 4.08Å; L695-Y749 HydrophobicContact CD1-CD2 3.89Å; L695-Y749 HydrophobicContact CD1-CE1 3.83Å; L695-Y749 HydrophobicContact CD1-CE2 3.58Å; L695-Y749 HydrophobicContact CD1-CG 4.13Å; L695-Y749 HydrophobicContact CD2-CE1 4.09Å; L695-Y749 HydrophobicContact CG-CE1 4.39Å; L695-I863 HydrophobicContact CD2-CG2 4.36Å; L695-Y867 HydrophobicContact CB-CD1 4Å; L695-Y867 HydrophobicContact CB-CD2 4.37Å; L695-Y867 HydrophobicContact CB-CE1 3.65Å; L695-Y867 HydrophobicContact CB-CE2 4.05Å; L695-Y867 HydrophobicContact CB-CG 4.34Å; L695-Y867 HydrophobicContact CD2-CD1 3.96Å; L695-Y867 HydrophobicContact CD2-CD2 3.95Å; L695-Y867 HydrophobicContact CD2-CE1 4.45Å; L695-Y867 HydrophobicContact CD2-CE2 4.43Å; L695-Y867 HydrophobicContact CD2-CG 3.67Å
696	L	88.4	Confident	74.9	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.8	169.8	171.1	74.4	0	0	0	109.3	W666 L679 E680 L683 S748	W666-L696 HydrophobicContact CB-CB 4.22Å; W666-L696 HydrophobicContact CB-CD1 3.52Å; W666-L696 HydrophobicContact CB-CG 4.49Å; W666-L696 CarbonylContact O-C 3.55Å; W666-L696 WeakPolarHBondContact O-CA 3.4Å; L679-L696 HydrophobicContact CD2-CD1 3.73Å; L679-L696 HydrophobicContact CG-CD1 4.41Å; E680-L696 HydrophobicContact CB-CD2 4.33Å; L683-L696 HydrophobicContact CD1-CB 4.38Å; L683-L696 HydrophobicContact CD1-CD1 4.36Å; L683-L696 HydrophobicContact CD1-CD2 4.08Å; L683-L696 HydrophobicContact CD1-CG 4.5Å; L696-S748 PolarHBondContact N-O 3.49Å; L696-S748 WeakPolarHBondContact O-CB 3.44Å; L696-S748 PolarHBondContact O-N 3.14Å; L696-S748 PolarHBondContact O-OG 3.05Å; L696-S748 VanDerWaalsContact O-OG 3.12Å
697	I	89.3	Confident	75.1	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.6	174	-42.7	-176.1	0	0	0	108.6	W666 L667 S668 L695 N746 F747 I860 V864	W666-I697 PolarHBondContact O-N 3.2Å; L667-I697 WeakPolarHBondContact CA-O 3.13Å; L667-I697 HydrophobicContact CD2-CB 3.82Å; L667-I697 HydrophobicContact CD2-CD1 3.88Å; L667-I697 HydrophobicContact CD2-CG1 4.01Å; S668-I697 PolarHBondContact N-O 3.35Å; S668-I697 VanDerWaalsContact N-O 3.1Å; L695-I697 HydrophobicContact CD1-CG1 4.02Å; L695-I697 HydrophobicContact CD2-CD1 4.07Å; L695-I697 HydrophobicContact CD2-CG1 4.26Å; L695-I697 HydrophobicContact CG-CD1 4.15Å; L695-I697 HydrophobicContact CG-CG1 3.79Å; I697-N746 WeakPolarHBondContact CA-O 3.46Å; I697-F747 HydrophobicContact CB-CD1 4.4Å; I697-F747 HydrophobicContact CD1-CD1 4.09Å; I697-F747 HydrophobicContact CD1-CE1 4.07Å; I697-F747 HydrophobicContact CG1-CD1 3.94Å; I697-F747 HydrophobicContact CG1-CE1 4.33Å; I697-F747 HydrophobicContact CG2-CD1 3.84Å; I697-F747 HydrophobicContact CG2-CE1 3.74Å; I697-I860 HydrophobicContact CD1-CG2 4.37Å; I697-V864 HydrophobicContact CD1-CG2 3.5Å
698	W	90.1	Very high	75.6	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.011	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.2	-175.8	59.3	-76	0	0	0	113.5	S668 I673 N676 L677 N700 N746 S748 H808	S668-W698 WeakPolarHBondContact OG-CB 3.09Å; I673-W698 HydrophobicContact CD1-CH2 3.51Å; I673-W698 HydrophobicContact CD1-CZ3 3.52Å; N676-W698 HydrophobicContact CB-CD2 3.7Å; N676-W698 HydrophobicContact CB-CE3 3.27Å; N676-W698 HydrophobicContact CB-CG 4.37Å; N676-W698 HydrophobicContact CB-CH2 4.15Å; N676-W698 HydrophobicContact CB-CZ3 3.53Å; L677-W698 HydrophobicContact CD2-CH2 4.05Å; L677-W698 HydrophobicContact CD2-CZ2 4.19Å; L677-W698 HydrophobicContact CG-CH2 4.28Å; W698-N700 HydrophobicContact CE3-CB 4.37Å; W698-N700 HydrophobicContact CZ3-CB 4.13Å; W698-N700 VanDerWaalsContact CZ3-OD1 3.29Å; W698-N700 WeakPolarHBondContact CZ3-OD1 3.5Å; W698-N746 HydrophobicContact CD2-CB 3.62Å; W698-N746 VanDerWaalsContact CD2-ND2 3.33Å; W698-N746 VanDerWaalsContact CE2-CB 3.49Å; W698-N746 HydrophobicContact CE3-CB 4.2Å; W698-N746 HydrophobicContact CG-CB 3.85Å; W698-N746 WeakPolarHBondContact CH2-ND2 3.46Å; W698-N746 HydrophobicContact CZ2-CB 4.02Å; W698-N746 WeakPolarHBondContact CZ3-ND2 3.49Å; W698-N746 PolarHBondContact N-O 3.44Å; W698-N746 WeakPolarHBondContact O-CB 3.38Å; W698-N746 PolarHBondContact O-N 2.91Å; W698-S748 PolarHBondContact NE1-OG 3.22Å; W698-H808 AromaticContact CE2-NE2 3.81Å; W698-H808 AromaticContact CZ2-NE2 3.38Å; W698-H808 WeakPolarHBondContact CZ2-NE2 3.46Å; W698-H808 AromaticContact NE1-NE2 3.79Å
699	K	86.7	Confident	76.3	Confident	44 Å²	44	34.9 Å²	34.9	19%	0.191	16%	0.157	C	C	.	.			trans	-131.4	160.5	174.3	-72.9	-159.7	152	-157.5	0	110.1	S670 N676 E742 N744 F745 E856	S670-K699 VanDerWaalsContact O-O 3.06Å; N676-K699 PolarHBondContact ND2-O 3.4Å; N676-K699 VanDerWaalsContact ND2-O 3.08Å; K699-E742 WeakPolarHBondContact CE-O 3.27Å; K699-E742 PolarHBondContact NZ-O 2.82Å; K699-N744 VanDerWaalsContact CE-O 3.3Å; K699-N744 WeakPolarHBondContact CE-O 3.21Å; K699-N744 WeakPolarHBondContact CG-O 3.37Å; K699-F745 HydrophobicContact CD-CD1 4.48Å; K699-F745 VanDerWaalsContact CE-CD1 3.42Å; K699-F745 HydrophobicContact CG-CD1 4.49Å; K699-E856 IonicContact NZ-OE1 2.62Å; K699-E856 PolarHBondContact NZ-OE1 3.37Å; K699-E856 IonicContact NZ-OE2 2.78Å; K699-E856 PolarHBondContact NZ-OE2 3.15Å
700	N	87.4	Confident	77.2	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.011	13%	0.131	C	C	.	.			trans	-152.1	162.4	177.8	59.6	-77.6	0	0	0	112.5	R671 I673 W698 H740 D741 E742 N746	R671-N700 WeakPolarHBondContact O-CA 3.42Å; R671-N700 WeakPolarHBondContact O-CB 3.49Å; I673-N700 HydrophobicContact CB-CB 4.4Å; W698-N700 HydrophobicContact CE3-CB 4.37Å; W698-N700 HydrophobicContact CZ3-CB 4.13Å; W698-N700 VanDerWaalsContact CZ3-OD1 3.29Å; W698-N700 WeakPolarHBondContact CZ3-OD1 3.5Å; N700-H740 WeakPolarHBondContact ND2-CB 3.45Å; N700-D741 CarbonylContact O-C 3.53Å; N700-E742 PolarHBondContact O-N 2.88Å; N700-N746 PolarHBondContact OD1-ND2 2.82Å
701	R	86.6	Confident	78.3	Confident	163 Å²	163	28.9 Å²	28.9	62%	0.615	13%	0.127	S	C	*	.	S	Bend	trans	-58.8	157	164.9	-82.7	-179.2	176.7	173.3	-0.1	111.1	R671 A703	R671-R701 HydrophobicContact CB-CG 4.25Å; R671-R701 PolarHBondContact O-N 3.25Å; R701-A703 PolarHBondContact O-N 2.91Å
702	P	86.6	Confident	79.1	Confident	17 Å²	17	27.8 Å²	27.8	11%	0.11	12%	0.12	C	C	.	.	S	Bend	trans	-52.1	125.4	-178.8	21.2	-34.7	0	0	0	112.3	I726 D727 Y739 H740	P702-I726 HydrophobicContact CB-CG1 4.16Å; P702-I726 HydrophobicContact CB-CG2 4.5Å; P702-I726 HydrophobicContact CG-CG1 4.41Å; P702-I726 WeakPolarHBondContact O-CA 3.42Å; P702-D727 PolarHBondContact O-N 2.8Å; P702-Y739 HydrophobicContact CB-CE2 4.48Å; P702-H740 VanDerWaalsContact CA-O 3.27Å; P702-H740 WeakPolarHBondContact CA-O 3.15Å
703	A	88.1	Confident	79.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.4	-174.4	0	0	0	0	0	111.9	I673 R701 D727 H740	I673-A703 HydrophobicContact CB-CB 4.02Å; I673-A703 HydrophobicContact CG1-CB 3.95Å; I673-A703 HydrophobicContact CG2-CB 3.96Å; R701-A703 PolarHBondContact O-N 2.91Å; A703-D727 CarbonylContact C-O 3.56Å; A703-D727 VanDerWaalsContact CA-O 3.24Å; A703-D727 WeakPolarHBondContact CA-O 3.15Å; A703-D727 HydrophobicContact CB-CB 3.88Å; A703-H740 PolarHBondContact N-O 2.85Å; A703-H740 PolarHBondContact O-N 2.64Å
704	V	84.5	Confident	78.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.9	170.3	-172.1	0	0	0	0	109	I706 A716 I726 D727 V729 T737 Y739 V823 L824	V704-I706 HydrophobicContact CG1-CG1 3.96Å; V704-A716 HydrophobicContact CG1-CB 4.13Å; V704-A716 HydrophobicContact CG2-CB 4.2Å; V704-I726 HydrophobicContact CG2-CG2 4.19Å; V704-D727 PolarHBondContact N-O 3.14Å; V704-V729 PolarHBondContact O-N 2.94Å; V704-T737 HydrophobicContact CG1-CG2 4.16Å; V704-Y739 HydrophobicContact CG2-CD2 4.47Å; V704-V823 HydrophobicContact CG2-CG1 3.32Å; V704-L824 HydrophobicContact CG1-CD2 4.38Å
705	V	82.9	Confident	78.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.3	173.8	179.2	0	0	0	0	109.8	I673 L677 V729 R731 T737 V738 H740	I673-V705 HydrophobicContact CD1-CG2 3.67Å; I673-V705 HydrophobicContact CG1-CG2 4.04Å; L677-V705 HydrophobicContact CD1-CG1 4.35Å; L677-V705 HydrophobicContact CD1-CG2 4.18Å; V705-V729 CarbonylContact C-O 3.56Å; V705-V729 WeakPolarHBondContact CA-O 3.29Å; V705-R731 HydrophobicContact CG1-CB 3.92Å; V705-R731 HydrophobicContact CG1-CG 3.76Å; V705-T737 WeakPolarHBondContact O-CA 3.47Å; V705-V738 PolarHBondContact N-O 3.41Å; V705-V738 PolarHBondContact O-N 3.3Å; V705-H740 VanDerWaalsContact CG2-CD2 3.4Å; V705-H740 WeakPolarHBondContact CG2-CD2 3.21Å; V705-H740 WeakPolarHBondContact CG2-NE2 2.96Å
706	I	77.8	Confident	77.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.3	-173.1	-59.3	166.6	0	0	0	109.4	V704 Q710 P712 I728 V729 R730 R731 T737	V704-I706 HydrophobicContact CG1-CG1 3.96Å; I706-Q710 HydrophobicContact CG2-CB 3.66Å; I706-P712 HydrophobicContact CD1-CB 3.73Å; I706-P712 HydrophobicContact CD1-CG 3.84Å; I706-I728 HydrophobicContact CD1-CG2 3.43Å; I706-I728 VanDerWaalsContact CD1-CG2 3.43Å; I706-I728 HydrophobicContact CG1-CG2 4.49Å; I706-V729 PolarHBondContact N-O 2.84Å; I706-R730 CarbonylContact O-C 3.52Å; I706-R730 WeakPolarHBondContact O-CA 3.2Å; I706-R731 WeakPolarHBondContact O-CG 3.27Å; I706-R731 PolarHBondContact O-N 3.19Å; I706-T737 HydrophobicContact CB-CG2 4.37Å; I706-T737 HydrophobicContact CG1-CG2 3.96Å; I706-T737 HydrophobicContact CG2-CG2 4.48Å
707	G	74.4	Confident	77.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	15%	0.15	C	C	.	.			trans	-62.9	154.8	177.3	0	0	0	0	0	113.5	H709 Q710 G735	G707-H709 PolarHBondContact O-N 2.9Å; G707-Q710 PolarHBondContact O-N 3.39Å; G707-Q710 VanDerWaalsContact O-N 3.14Å; G707-G735 WeakPolarHBondContact CA-O 3.49Å
708	R	70.3	Confident	76.6	Confident	146 Å²	146	35.5 Å²	35.5	55%	0.551	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-31.2	-178.7	-170.7	178.7	-179.5	-168.2	0.3	114.1	R730 R731 S733	R708-R730 PolarHBondContact O-NE 2.67Å; R708-R730 PolarHBondContact O-NH2 2.67Å; R708-R731 PolarHBondContact N-O 2.73Å; R708-S733 PolarHBondContact N-O 3.19Å
709	H	65.1	Low	75.7	Confident	149 Å²	149	37.5 Å²	37.5	69%	0.69	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	22.9	-173.3	-57.1	-69.4	0	0	0	114.7	G707	G707-H709 PolarHBondContact O-N 2.9Å
710	Q	68.1	Low	75.5	Confident	14 Å²	14	37.5 Å²	37.5	7%	0.065	17%	0.172	C	C	.	.			trans	-118.2	164.3	-175.2	-69.2	-174.5	-77.8	0	0	114.2	I706 G707 E715 G736 T737	I706-Q710 HydrophobicContact CG2-CB 3.66Å; G707-Q710 PolarHBondContact O-N 3.39Å; G707-Q710 VanDerWaalsContact O-N 3.14Å; Q710-E715 HydrophobicContact CB-CG 4.34Å; Q710-E715 PolarHBondContact NE2-OE1 2.91Å; Q710-G736 PolarHBondContact OE1-O 2.88Å; Q710-T737 PolarHBondContact NE2-OG1 3.48Å
711	N	68	Low	75.2	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	17%	0.172	C	C	.	.			trans	-98.9	125.5	175.8	-164.2	-13.1	0	0	0	110.8	W713 T714 E715 P908	N711-W713 VanDerWaalsContact C-N 3.3Å; N711-W713 PolarHBondContact O-N 3.07Å; N711-W713 PolarHBondContact OD1-N 3.34Å; N711-T714 HydrophobicContact CB-CG2 4.4Å; N711-T714 WeakPolarHBondContact CB-OG1 3.14Å; N711-E715 WeakPolarHBondContact O-CB 3.45Å; N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.36Å; N711-P908 HydrophobicContact CB-CB 3.48Å; N711-P908 VanDerWaalsContact CB-CB 3.48Å; N711-P908 HydrophobicContact CB-CG 3.9Å; N711-P908 WeakPolarHBondContact OD1-CG 3.4Å
712	P	68	Low	74.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-52.7	-47	166.6	-24.1	32.3	0	0	0	113	I706 T714 E715 A716 I718 I903 F904	I706-P712 HydrophobicContact CD1-CB 3.73Å; I706-P712 HydrophobicContact CD1-CG 3.84Å; P712-T714 VanDerWaalsContact C-N 3.3Å; P712-T714 PolarHBondContact O-N 3.31Å; P712-E715 PolarHBondContact O-N 3.3Å; P712-A716 PolarHBondContact O-N 3.37Å; P712-I718 HydrophobicContact CB-CD1 3.78Å; P712-I718 HydrophobicContact CB-CG1 4.49Å; P712-I903 HydrophobicContact CG-CG2 3.44Å; P712-I903 VanDerWaalsContact CG-CG2 3.44Å; P712-F904 HydrophobicContact CG-CE1 4.13Å
713	W	65.6	Low	74.5	Confident	131 Å²	131	40.4 Å²	40.4	50%	0.496	20%	0.201	S	C	.	.	H	α-helix	trans	-73.7	-12.4	-168.1	-56.7	97.4	0	0	0	115.4	N711 I718 F904	N711-W713 VanDerWaalsContact C-N 3.3Å; N711-W713 PolarHBondContact O-N 3.07Å; N711-W713 PolarHBondContact OD1-N 3.34Å; W713-I718 HydrophobicContact CB-CD1 4.31Å; W713-I718 HydrophobicContact CD2-CD1 3.37Å; W713-I718 HydrophobicContact CE3-CD1 3.35Å; W713-I718 HydrophobicContact CG-CD1 3.81Å; W713-I718 HydrophobicContact CH2-CD1 4.24Å; W713-I718 HydrophobicContact CZ2-CD1 4.28Å; W713-I718 HydrophobicContact CZ3-CB 4.38Å; W713-I718 HydrophobicContact CZ3-CD1 3.8Å; W713-I718 HydrophobicContact CZ3-CG2 4.44Å; W713-F904 AromaticContact CD1-CE1 3.99Å; W713-F904 HydrophobicContact CZ2-CZ 4.02Å; W713-F904 AromaticContact NE1-CE1 3.24Å; W713-F904 AromaticContact NE1-CZ 3.54Å
714	T	63.5	Low	74.2	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-115.7	-7.9	178.3	70.6	0	0	0	0	113.6	N711 P712 V832 F910	N711-T714 HydrophobicContact CB-CG2 4.4Å; N711-T714 WeakPolarHBondContact CB-OG1 3.14Å; P712-T714 VanDerWaalsContact C-N 3.3Å; P712-T714 PolarHBondContact O-N 3.31Å; T714-V832 HydrophobicContact CG2-CG1 3.72Å; T714-F910 HydrophobicContact CG2-CB 4.13Å; T714-F910 HydrophobicContact CG2-CG 4.46Å
715	E	71.2	Confident	74.1	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-111.1	-13.3	-177.3	-56	-79.5	-167.5	0	0	112.2	Q710 N711 P712 T737 S834 A836	Q710-E715 HydrophobicContact CB-CG 4.34Å; Q710-E715 PolarHBondContact NE2-OE1 2.91Å; N711-E715 WeakPolarHBondContact O-CB 3.45Å; N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.36Å; P712-E715 PolarHBondContact O-N 3.3Å; E715-T737 HydrophobicContact CB-CG2 3.7Å; E715-T737 HydrophobicContact CG-CG2 4.35Å; E715-T737 PolarHBondContact OE2-OG1 2.65Å; E715-S834 WeakPolarHBondContact OE1-CB 2.86Å; E715-S834 PolarHBondContact OE1-OG 3.34Å; E715-S834 PolarHBondContact OE2-OG 2.8Å; E715-A836 PolarHBondContact OE1-N 3.43Å; E715-A836 WeakPolarHBondContact OE2-CB 3.47Å
716	A	73.9	Confident	74.3	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.249	C	C	.	.	S	Bend	trans	-150.4	149.2	169.2	0	0	0	0	0	112.2	V704 P712 I718 V823	V704-A716 HydrophobicContact CG1-CB 4.13Å; V704-A716 HydrophobicContact CG2-CB 4.2Å; P712-A716 PolarHBondContact O-N 3.37Å; A716-I718 PolarHBondContact O-N 3.11Å; A716-I718 VanDerWaalsContact O-N 3.15Å; A716-V823 CarbonylContact C-O 3.58Å; A716-V823 WeakPolarHBondContact CA-O 2.85Å; A716-V823 HydrophobicContact CB-CG1 4.15Å
717	D	76.9	Confident	74.6	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.219	26%	0.263	C	S	.	.			trans	-74.7	98	163.7	-177.4	-2.8	0	0	0	109.9	G719 F720 A721 V823	D717-G719 PolarHBondContact O-N 2.89Å; D717-G719 WeakPolarHBondContact OD1-CA 3.36Å; D717-G719 PolarHBondContact OD1-N 3.37Å; D717-F720 HydrophobicContact CB-CB 3.99Å; D717-F720 PolarHBondContact O-N 3.27Å; D717-F720 PolarHBondContact OD1-N 2.7Å; D717-F720 VanDerWaalsContact OD1-N 3.1Å; D717-F720 WeakPolarHBondContact OD2-CB 3.41Å; D717-A721 VanDerWaalsContact O-CB 3.28Å; D717-A721 WeakPolarHBondContact O-CB 3.24Å; D717-A721 PolarHBondContact O-N 3.42Å; D717-V823 PolarHBondContact N-O 3.14Å
718	I	72.3	Confident	75	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-28	176.6	-66.4	150.9	0	0	0	112	P712 W713 A716 R722 I728	P712-I718 HydrophobicContact CB-CD1 3.78Å; P712-I718 HydrophobicContact CB-CG1 4.49Å; W713-I718 HydrophobicContact CB-CD1 4.31Å; W713-I718 HydrophobicContact CD2-CD1 3.37Å; W713-I718 HydrophobicContact CE3-CD1 3.35Å; W713-I718 HydrophobicContact CG-CD1 3.81Å; W713-I718 HydrophobicContact CH2-CD1 4.24Å; W713-I718 HydrophobicContact CZ2-CD1 4.28Å; W713-I718 HydrophobicContact CZ3-CB 4.38Å; W713-I718 HydrophobicContact CZ3-CD1 3.8Å; W713-I718 HydrophobicContact CZ3-CG2 4.44Å; A716-I718 PolarHBondContact O-N 3.11Å; A716-I718 VanDerWaalsContact O-N 3.15Å; I718-R722 HydrophobicContact CG2-CG 4.44Å; I718-R722 WeakPolarHBondContact O-CB 3.05Å; I718-R722 VanDerWaalsContact O-CG 3.27Å; I718-R722 WeakPolarHBondContact O-CG 3.1Å; I718-R722 PolarHBondContact O-N 3.12Å; I718-I728 HydrophobicContact CB-CD1 4.05Å; I718-I728 HydrophobicContact CG1-CD1 3.71Å; I718-I728 HydrophobicContact CG2-CD1 3.95Å
719	G	72.5	Confident	75.5	Confident	46 Å²	46	41.8 Å²	41.8	47%	0.474	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-53.7	175.5	0	0	0	0	0	110.8	D717 A721 R722 A723	D717-G719 PolarHBondContact O-N 2.89Å; D717-G719 WeakPolarHBondContact OD1-CA 3.36Å; D717-G719 PolarHBondContact OD1-N 3.37Å; G719-A721 PolarHBondContact O-N 2.69Å; G719-R722 PolarHBondContact O-N 2.87Å; G719-A723 WeakPolarHBondContact O-CB 3.32Å; G719-A723 PolarHBondContact O-N 3.48Å
720	F	80.8	Confident	76.1	Confident	43 Å²	43	35.5 Å²	35.5	19%	0.189	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-42.2	174.9	-178.4	-107.4	0	0	0	112.3	D717 A723 A724 R822 V823	D717-F720 HydrophobicContact CB-CB 3.99Å; D717-F720 PolarHBondContact O-N 3.27Å; D717-F720 PolarHBondContact OD1-N 2.7Å; D717-F720 VanDerWaalsContact OD1-N 3.1Å; D717-F720 WeakPolarHBondContact OD2-CB 3.41Å; F720-A723 PolarHBondContact O-N 3.3Å; F720-A724 HydrophobicContact CE1-CB 4.3Å; F720-A724 HydrophobicContact CE2-CB 4.46Å; F720-A724 HydrophobicContact CZ-CB 4.16Å; F720-A724 VanDerWaalsContact O-CB 3.24Å; F720-A724 WeakPolarHBondContact O-CB 3.31Å; F720-A724 PolarHBondContact O-N 3.41Å; F720-R822 HydrophobicContact CD1-CB 4.41Å; F720-R822 HydrophobicContact CD1-CG 3.9Å; F720-R822 HydrophobicContact CD2-CG 4.4Å; F720-R822 HydrophobicContact CE1-CB 3.97Å; F720-R822 HydrophobicContact CE1-CG 3.7Å; F720-R822 HydrophobicContact CE2-CG 4.24Å; F720-R822 HydrophobicContact CG-CG 4.26Å; F720-R822 HydrophobicContact CZ-CB 4.4Å; F720-R822 HydrophobicContact CZ-CG 3.9Å; F720-V823 HydrophobicContact CD1-CG2 3.73Å; F720-V823 HydrophobicContact CE1-CG2 3.7Å
721	A	81.9	Confident	76.5	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-47.7	178.4	0	0	0	0	0	112.1	D717 G719 A723 A724 G725 I726 I728	D717-A721 VanDerWaalsContact O-CB 3.28Å; D717-A721 WeakPolarHBondContact O-CB 3.24Å; D717-A721 PolarHBondContact O-N 3.42Å; G719-A721 PolarHBondContact O-N 2.69Å; A721-A723 PolarHBondContact O-N 3.3Å; A721-A724 CarbonylContact O-C 3.55Å; A721-A724 PolarHBondContact O-N 2.81Å; A721-G725 PolarHBondContact O-N 2.9Å; A721-G725 VanDerWaalsContact O-N 3.13Å; A721-I726 HydrophobicContact CB-CB 4.14Å; A721-I726 HydrophobicContact CB-CG2 4.42Å; A721-I726 WeakPolarHBondContact O-CB 3.41Å; A721-I726 PolarHBondContact O-N 3Å; A721-I728 HydrophobicContact CB-CD1 3.84Å; A721-I728 HydrophobicContact CB-CG1 4.2Å
722	R	78.3	Confident	76.6	Confident	152 Å²	152	36.6 Å²	36.6	57%	0.574	21%	0.213	S	C	*	.	H	α-helix	trans	-60.7	-44.7	174	-75.1	176.8	178.5	-173.6	0.3	112	I718 G719 A724 G725	I718-R722 HydrophobicContact CG2-CG 4.44Å; I718-R722 WeakPolarHBondContact O-CB 3.05Å; I718-R722 VanDerWaalsContact O-CG 3.27Å; I718-R722 WeakPolarHBondContact O-CG 3.1Å; I718-R722 PolarHBondContact O-N 3.12Å; G719-R722 PolarHBondContact O-N 2.87Å; R722-A724 VanDerWaalsContact C-N 3.28Å; R722-A724 PolarHBondContact O-N 2.62Å; R722-G725 PolarHBondContact O-N 3Å
723	A	80.1	Confident	76.5	Confident	92 Å²	92	36.6 Å²	36.6	76%	0.76	21%	0.213	S	C	*	.	H	α-helix	trans	-65.4	-29.3	178.9	0	0	0	0	0	113.4	G719 F720 A721	G719-A723 WeakPolarHBondContact O-CB 3.32Å; G719-A723 PolarHBondContact O-N 3.48Å; F720-A723 PolarHBondContact O-N 3.3Å; A721-A723 PolarHBondContact O-N 3.3Å
724	A	83.2	Confident	76.2	Confident	40 Å²	40	33 Å²	33	33%	0.331	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3	177.1	0	0	0	0	0	113.9	F720 A721 R722 I726	F720-A724 HydrophobicContact CE1-CB 4.3Å; F720-A724 HydrophobicContact CE2-CB 4.46Å; F720-A724 HydrophobicContact CZ-CB 4.16Å; F720-A724 VanDerWaalsContact O-CB 3.24Å; F720-A724 WeakPolarHBondContact O-CB 3.31Å; F720-A724 PolarHBondContact O-N 3.41Å; A721-A724 CarbonylContact O-C 3.55Å; A721-A724 PolarHBondContact O-N 2.81Å; R722-A724 VanDerWaalsContact C-N 3.28Å; R722-A724 PolarHBondContact O-N 2.62Å; A724-I726 VanDerWaalsContact C-N 3.34Å; A724-I726 HydrophobicContact CB-CD1 3.72Å; A724-I726 HydrophobicContact CB-CG1 3.84Å; A724-I726 PolarHBondContact O-N 3.3Å
725	G	82.1	Confident	76.1	Confident	63 Å²	63	33.2 Å²	33.2	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	28.5	-179	0	0	0	0	0	114.4	A721 R722	A721-G725 PolarHBondContact O-N 2.9Å; A721-G725 VanDerWaalsContact O-N 3.13Å; R722-G725 PolarHBondContact O-N 3Å
726	I	85.8	Confident	76	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.036	24%	0.236	C	C	.	.			trans	-96.6	119.6	-174.8	-59.3	179.5	0	0	0	109.1	P702 V704 A721 A724 Y739 R819 V823	P702-I726 HydrophobicContact CB-CG1 4.16Å; P702-I726 HydrophobicContact CB-CG2 4.5Å; P702-I726 HydrophobicContact CG-CG1 4.41Å; P702-I726 WeakPolarHBondContact O-CA 3.42Å; V704-I726 HydrophobicContact CG2-CG2 4.19Å; A721-I726 HydrophobicContact CB-CB 4.14Å; A721-I726 HydrophobicContact CB-CG2 4.42Å; A721-I726 WeakPolarHBondContact O-CB 3.41Å; A721-I726 PolarHBondContact O-N 3Å; A724-I726 VanDerWaalsContact C-N 3.34Å; A724-I726 HydrophobicContact CB-CD1 3.72Å; A724-I726 HydrophobicContact CB-CG1 3.84Å; A724-I726 PolarHBondContact O-N 3.3Å; I726-Y739 HydrophobicContact CD1-CE2 4.46Å; I726-Y739 HydrophobicContact CG2-CE2 4.44Å; I726-R819 HydrophobicContact CD1-CG 4.1Å; I726-V823 HydrophobicContact CD1-CG2 3.44Å; I726-V823 VanDerWaalsContact CD1-CG2 3.44Å
727	D	85.5	Confident	76	Confident	54 Å²	54	35.2 Å²	35.2	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	148.4	-179.8	-91.8	-49.2	0	0	0	111.9	I673 Y674 P702 A703 V704 V729	I673-D727 HydrophobicContact CG2-CB 3.56Å; Y674-D727 HydrophobicContact CE2-CB 4.35Å; Y674-D727 VanDerWaalsContact CE2-CG 3.48Å; Y674-D727 WeakPolarHBondContact CE2-OD1 3.4Å; Y674-D727 PolarHBondContact OH-OD1 2.91Å; P702-D727 PolarHBondContact O-N 2.8Å; A703-D727 CarbonylContact C-O 3.56Å; A703-D727 VanDerWaalsContact CA-O 3.24Å; A703-D727 WeakPolarHBondContact CA-O 3.15Å; A703-D727 HydrophobicContact CB-CB 3.88Å; V704-D727 PolarHBondContact N-O 3.14Å; D727-V729 HydrophobicContact CB-CG2 4.4Å
728	I	81.2	Confident	76.1	Confident	11 Å²	11	33.9 Å²	33.9	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	110.8	178.8	-52.8	-178	0	0	0	108.5	I706 I718 A721	I706-I728 HydrophobicContact CD1-CG2 3.43Å; I706-I728 VanDerWaalsContact CD1-CG2 3.43Å; I706-I728 HydrophobicContact CG1-CG2 4.49Å; I718-I728 HydrophobicContact CB-CD1 4.05Å; I718-I728 HydrophobicContact CG1-CD1 3.71Å; I718-I728 HydrophobicContact CG2-CD1 3.95Å; A721-I728 HydrophobicContact CB-CD1 3.84Å; A721-I728 HydrophobicContact CB-CG1 4.2Å
729	V	82	Confident	76.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.9	-172.2	-157.4	0	0	0	0	110.1	I673 Y674 L677 V704 V705 I706 D727 L897	I673-V729 HydrophobicContact CB-CG2 4.36Å; I673-V729 HydrophobicContact CG1-CB 4.42Å; I673-V729 HydrophobicContact CG1-CG2 3.79Å; I673-V729 HydrophobicContact CG2-CG2 3.62Å; Y674-V729 HydrophobicContact CD1-CG1 3.85Å; Y674-V729 HydrophobicContact CD1-CG2 3.98Å; Y674-V729 HydrophobicContact CE1-CB 4.29Å; Y674-V729 HydrophobicContact CE1-CG1 3.89Å; Y674-V729 HydrophobicContact CE1-CG2 3.51Å; Y674-V729 HydrophobicContact CE2-CG2 4.44Å; L677-V729 HydrophobicContact CD1-CB 4.01Å; L677-V729 HydrophobicContact CD1-CG1 3.74Å; V704-V729 PolarHBondContact O-N 2.94Å; V705-V729 CarbonylContact C-O 3.56Å; V705-V729 WeakPolarHBondContact CA-O 3.29Å; I706-V729 PolarHBondContact N-O 2.84Å; D727-V729 HydrophobicContact CB-CG2 4.4Å; V729-L897 HydrophobicContact CG1-CB 4.27Å; V729-L897 HydrophobicContact CG1-CD2 3.85Å
730	R	78.4	Confident	77.1	Confident	17 Å²	17	31.7 Å²	31.7	6%	0.064	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	155	171	-165.7	178.2	-165.2	172.7	10	109.4	I706 R708 L897 W902 I903 T906	I706-R730 CarbonylContact O-C 3.52Å; I706-R730 WeakPolarHBondContact O-CA 3.2Å; R708-R730 PolarHBondContact O-NE 2.67Å; R708-R730 PolarHBondContact O-NH2 2.67Å; R730-L897 WeakPolarHBondContact O-CD2 3.49Å; R730-W902 HydrophobicContact CB-CE3 3.93Å; R730-W902 HydrophobicContact CB-CH2 4.08Å; R730-W902 HydrophobicContact CB-CZ3 3.54Å; R730-W902 HydrophobicContact CG-CZ3 4.41Å; R730-W902 PolarHBondContact NH1-O 3.21Å; R730-W902 WeakPolarHBondContact O-CH2 3.4Å; R730-W902 WeakPolarHBondContact O-CZ3 3.47Å; R730-I903 HydrophobicContact CB-CG1 4.36Å; R730-I903 PolarHBondContact NH1-O 3.1Å; R730-T906 PolarHBondContact NH2-OG1 2.87Å
731	R	75.1	Confident	77.1	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.019	20%	0.204	C	C	.	.			trans	-121.5	148.4	174.7	59.2	174.2	169.1	-173.7	-3.6	113.1	V705 I706 R708 S733 G736 V738	V705-R731 HydrophobicContact CG1-CB 3.92Å; V705-R731 HydrophobicContact CG1-CG 3.76Å; I706-R731 WeakPolarHBondContact O-CG 3.27Å; I706-R731 PolarHBondContact O-N 3.19Å; R708-R731 PolarHBondContact N-O 2.73Å; R731-S733 WeakPolarHBondContact CD-OG 3.38Å; R731-S733 PolarHBondContact O-N 2.98Å; R731-G736 PolarHBondContact NH2-O 2.7Å; R731-V738 VanDerWaalsContact NH2-CG2 3.32Å
732	Y	70.7	Confident	77	Confident	39 Å²	39	34.2 Å²	34.2	15%	0.153	22%	0.223	C	C	.	.	S	Bend	trans	-66.3	-13.9	178.8	-57.5	-91.1	0	0	0	114.3	H681 E896 L897 W902	H681-Y732 HydrophobicContact CB-CD2 3.97Å; H681-Y732 HydrophobicContact CB-CE2 3.84Å; H681-Y732 AromaticContact CD2-CD2 3.4Å; H681-Y732 VanDerWaalsContact CD2-CD2 3.4Å; H681-Y732 WeakPolarHBondContact CD2-CD2 3.4Å; H681-Y732 AromaticContact CD2-CE2 3.84Å; H681-Y732 AromaticContact CD2-CG 3.53Å; H681-Y732 AromaticContact CE1-CD1 3.79Å; H681-Y732 AromaticContact CE1-CE1 3.64Å; H681-Y732 AromaticContact CE1-CZ 3.76Å; H681-Y732 AromaticContact CG-CD2 3.52Å; H681-Y732 AromaticContact CG-CE2 3.49Å; H681-Y732 VanDerWaalsContact CG-CE2 3.49Å; H681-Y732 AromaticContact CG-CZ 3.98Å; H681-Y732 AromaticContact ND1-CE1 4Å; H681-Y732 AromaticContact ND1-CE2 3.63Å; H681-Y732 AromaticContact ND1-CZ 3.62Å; H681-Y732 AromaticContact NE2-CD1 3.59Å; H681-Y732 AromaticContact NE2-CD2 3.85Å; H681-Y732 AromaticContact NE2-CE1 3.94Å; H681-Y732 AromaticContact NE2-CG 3.55Å; Y732-E896 PolarHBondContact OH-OE2 2.83Å; Y732-L897 HydrophobicContact CE2-CD2 4Å; Y732-L897 HydrophobicContact CE2-CG 4.19Å; Y732-W902 AromaticContact CD1-CZ2 3.74Å; Y732-W902 HydrophobicContact CD1-CZ2 3.74Å; Y732-W902 HydrophobicContact CD2-CH2 4.31Å; Y732-W902 HydrophobicContact CD2-CZ2 4.17Å; Y732-W902 HydrophobicContact CE1-CH2 4.41Å; Y732-W902 AromaticContact CE1-CZ2 3.51Å; Y732-W902 HydrophobicContact CE1-CZ2 3.51Å; Y732-W902 HydrophobicContact CE2-CH2 4.06Å; Y732-W902 AromaticContact CE2-CZ2 3.95Å; Y732-W902 HydrophobicContact CE2-CZ2 3.95Å; Y732-W902 HydrophobicContact CG-CZ2 4.07Å; Y732-W902 AromaticContact CZ-CZ2 3.61Å
733	S	66.3	Low	76.9	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.014	20%	0.198	C	C	.	.	S	Bend	trans	-99.1	152.5	-177.1	60.5	0	0	0	0	113.3	R708 R731 G735	R708-S733 PolarHBondContact N-O 3.19Å; R731-S733 WeakPolarHBondContact CD-OG 3.38Å; R731-S733 PolarHBondContact O-N 2.98Å; S733-G735 PolarHBondContact O-N 3.01Å
734	G	59.4	Low	77.1	Confident	57 Å²	57	22.9 Å²	22.9	59%	0.588	16%	0.162	S	C	*	.			trans	-82.9	36.6	-170.8	0	0	0	0	0	115.6
735	G	61.5	Low	77.2	Confident	16 Å²	16	21 Å²	21	17%	0.165	15%	0.147	C	C	.	.			trans	-80.3	177.4	175.9	0	0	0	0	0	113.8	G707 S733	G707-G735 WeakPolarHBondContact CA-O 3.49Å; S733-G735 PolarHBondContact O-N 3.01Å
736	G	68.6	Low	77.6	Confident	31 Å²	31	18 Å²	18	32%	0.32	12%	0.116	S	C	.	.			trans	-82.3	-168.5	166.4	0	0	0	0	0	112.6	Q710 R731	Q710-G736 PolarHBondContact OE1-O 2.88Å; R731-G736 PolarHBondContact NH2-O 2.7Å
737	T	74	Confident	77.7	Confident	16 Å²	16	17.7 Å²	17.7	10%	0.098	11%	0.114	C	C	.	.			trans	-76.5	137.9	176.5	11.7	0	0	0	0	109.3	V704 V705 I706 Q710 E715 A836	V704-T737 HydrophobicContact CG1-CG2 4.16Å; V705-T737 WeakPolarHBondContact O-CA 3.47Å; I706-T737 HydrophobicContact CB-CG2 4.37Å; I706-T737 HydrophobicContact CG1-CG2 3.96Å; I706-T737 HydrophobicContact CG2-CG2 4.48Å; Q710-T737 PolarHBondContact NE2-OG1 3.48Å; E715-T737 HydrophobicContact CB-CG2 3.7Å; E715-T737 HydrophobicContact CG-CG2 4.35Å; E715-T737 PolarHBondContact OE2-OG1 2.65Å; T737-A836 WeakPolarHBondContact OG1-CB 3.46Å
738	V	77.7	Confident	77.7	Confident	13 Å²	13	15.2 Å²	15.2	8%	0.079	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.1	177.4	-178.2	0	0	0	0	108.1	V705 R731 H740 T810	V705-V738 PolarHBondContact N-O 3.41Å; V705-V738 PolarHBondContact O-N 3.3Å; R731-V738 VanDerWaalsContact NH2-CG2 3.32Å; V738-H740 PolarHBondContact O-CD2 3.5Å; V738-T810 HydrophobicContact CG1-CG2 3.69Å
739	Y	82.3	Confident	78	Confident	7 Å²	7	15.3 Å²	15.3	3%	0.027	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.9	166.3	178.7	-101.3	0	0	0	108.5	P702 V704 I726 D741 V815 R819 M820 V823	P702-Y739 HydrophobicContact CB-CE2 4.48Å; V704-Y739 HydrophobicContact CG2-CD2 4.47Å; I726-Y739 HydrophobicContact CD1-CE2 4.46Å; I726-Y739 HydrophobicContact CG2-CE2 4.44Å; Y739-D741 HydrophobicContact CE1-CB 3.72Å; Y739-D741 VanDerWaalsContact CE1-OD2 3.23Å; Y739-D741 WeakPolarHBondContact CE1-OD2 3.42Å; Y739-D741 PolarHBondContact OH-OD2 3.32Å; Y739-V815 HydrophobicContact CD1-CG1 3.98Å; Y739-V815 HydrophobicContact CE1-CG1 3.8Å; Y739-R819 WeakPolarHBondContact OH-CD 3.11Å; Y739-M820 HydrophobicContact CD1-CB 3.53Å; Y739-M820 HydrophobicContact CD1-CG 3.57Å; Y739-M820 HydrophobicContact CD1-SD 4.36Å; Y739-M820 HydrophobicContact CE1-CB 3.75Å; Y739-M820 HydrophobicContact CE1-CG 4.31Å; Y739-M820 HydrophobicContact CG-CB 4.06Å; Y739-M820 HydrophobicContact CG-CG 3.8Å; Y739-V823 HydrophobicContact CD2-CG1 4.49Å; Y739-V823 HydrophobicContact CE2-CG2 4.31Å
740	H	84	Confident	78	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	156.1	171.9	-62.8	-110.9	0	0	0	108.7	N700 P702 A703 V705 V738 N746 T810	N700-H740 WeakPolarHBondContact ND2-CB 3.45Å; P702-H740 VanDerWaalsContact CA-O 3.27Å; P702-H740 WeakPolarHBondContact CA-O 3.15Å; A703-H740 PolarHBondContact N-O 2.85Å; A703-H740 PolarHBondContact O-N 2.64Å; V705-H740 VanDerWaalsContact CG2-CD2 3.4Å; V705-H740 WeakPolarHBondContact CG2-CD2 3.21Å; V705-H740 WeakPolarHBondContact CG2-NE2 2.96Å; V738-H740 PolarHBondContact O-CD2 3.5Å; H740-N746 VanDerWaalsContact ND1-CG 3.33Å; H740-N746 PolarHBondContact ND1-ND2 2.66Å; H740-N746 VanDerWaalsContact ND1-ND2 3.14Å; H740-N746 PolarHBondContact ND1-OD1 2.8Å; H740-T810 VanDerWaalsContact CE1-CG2 3.4Å; H740-T810 WeakPolarHBondContact CE1-CG2 3.14Å
741	D	82	Confident	77.9	Confident	12 Å²	12	15.6 Å²	15.6	6%	0.064	10%	0.104	C	C	.	.			trans	-158.6	168.7	-176.3	-145.9	-29.3	0	0	0	109.6	N700 Y739 G743 N744 V815	N700-D741 CarbonylContact O-C 3.53Å; Y739-D741 HydrophobicContact CE1-CB 3.72Å; Y739-D741 VanDerWaalsContact CE1-OD2 3.23Å; Y739-D741 WeakPolarHBondContact CE1-OD2 3.42Å; Y739-D741 PolarHBondContact OH-OD2 3.32Å; D741-G743 PolarHBondContact O-N 3.23Å; D741-G743 VanDerWaalsContact O-N 3.14Å; D741-N744 WeakPolarHBondContact CB-ND2 3.42Å; D741-N744 PolarHBondContact N-ND2 3.18Å; D741-N744 WeakPolarHBondContact O-CB 3.16Å; D741-N744 PolarHBondContact O-N 3Å; D741-V815 HydrophobicContact CB-CG1 4.17Å
742	E	78.3	Confident	77.5	Confident	83 Å²	83	16.9 Å²	16.9	39%	0.388	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.6	-173.3	-62.1	-149.4	132.9	0	0	113.5	R671 K699 N700	R671-E742 WeakPolarHBondContact CD-OE1 3.48Å; R671-E742 IonicContact CZ-OE1 3.04Å; R671-E742 VanDerWaalsContact NH1-CD 3.28Å; R671-E742 IonicContact NH1-OE1 3.81Å; R671-E742 PolarHBondContact NH1-OE1 2.8Å; R671-E742 IonicContact NH1-OE2 3.58Å; R671-E742 PolarHBondContact NH1-OE2 2.85Å; K699-E742 WeakPolarHBondContact CE-O 3.27Å; K699-E742 PolarHBondContact NZ-O 2.82Å; N700-E742 PolarHBondContact O-N 2.88Å
743	G	76.1	Confident	77.2	Confident	6 Å²	6	19 Å²	19	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	26.3	170.6	0	0	0	0	0	115	D741 F813 N814	D741-G743 PolarHBondContact O-N 3.23Å; D741-G743 VanDerWaalsContact O-N 3.14Å; G743-F813 WeakPolarHBondContact O-CA 3.47Å; G743-F813 VanDerWaalsContact O-CB 3.23Å; G743-F813 WeakPolarHBondContact O-CB 3.48Å; G743-F813 PolarHBondContact O-N 2.86Å; G743-F813 VanDerWaalsContact O-N 3.12Å; G743-N814 CarbonylContact C-O 3.59Å; G743-N814 WeakPolarHBondContact CA-O 3.42Å; G743-N814 PolarHBondContact O-N 3.39Å
744	N	84.4	Confident	77.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.2	159	-84	-77.8	0	0	0	110.3	K699 D741 M812 V815	K699-N744 VanDerWaalsContact CE-O 3.3Å; K699-N744 WeakPolarHBondContact CE-O 3.21Å; K699-N744 WeakPolarHBondContact CG-O 3.37Å; D741-N744 WeakPolarHBondContact CB-ND2 3.42Å; D741-N744 PolarHBondContact N-ND2 3.18Å; D741-N744 WeakPolarHBondContact O-CB 3.16Å; D741-N744 PolarHBondContact O-N 3Å; N744-M812 VanDerWaalsContact OD1-CG 3.32Å; N744-M812 WeakPolarHBondContact OD1-CG 3.3Å; N744-V815 VanDerWaalsContact ND2-CG2 3.34Å; N744-V815 WeakPolarHBondContact ND2-CG2 3.2Å
745	F	86.4	Confident	77.2	Confident	1 Å²	1	31 Å²	31	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	162	-58.5	-74.8	0	0	0	109.8	K699 F747 T810 L811 F813 E856 I860	K699-F745 HydrophobicContact CD-CD1 4.48Å; K699-F745 VanDerWaalsContact CE-CD1 3.42Å; K699-F745 HydrophobicContact CG-CD1 4.49Å; F745-F747 HydrophobicContact CB-CD2 4.17Å; F745-F747 HydrophobicContact CB-CE2 3.37Å; F745-F747 HydrophobicContact CB-CZ 3.62Å; F745-F747 HydrophobicContact CG-CE2 4.28Å; F745-F747 HydrophobicContact CG-CZ 4.16Å; F745-T810 CarbonylContact O-C 3.55Å; F745-T810 VanDerWaalsContact O-CA 3.27Å; F745-T810 WeakPolarHBondContact O-CA 3.45Å; F745-L811 HydrophobicContact CD2-CD2 4.41Å; F745-L811 PolarHBondContact N-O 3.33Å; F745-L811 PolarHBondContact O-N 3.25Å; F745-F813 HydrophobicContact CD2-CB 3.91Å; F745-F813 HydrophobicContact CD2-CD2 4.38Å; F745-F813 HydrophobicContact CD2-CG 4.18Å; F745-F813 HydrophobicContact CE2-CB 3.64Å; F745-F813 AromaticContact CE2-CD1 3.82Å; F745-F813 HydrophobicContact CE2-CD1 3.82Å; F745-F813 AromaticContact CE2-CD2 3.7Å; F745-F813 HydrophobicContact CE2-CD2 3.7Å; F745-F813 HydrophobicContact CE2-CE1 4.32Å; F745-F813 HydrophobicContact CE2-CE2 4.24Å; F745-F813 AromaticContact CE2-CG 3.45Å; F745-F813 HydrophobicContact CE2-CG 3.45Å; F745-F813 VanDerWaalsContact CE2-CG 3.45Å; F745-F813 HydrophobicContact CE2-CZ 4.49Å; F745-F813 HydrophobicContact CZ-CD1 4.21Å; F745-F813 HydrophobicContact CZ-CG 4.28Å; F745-E856 HydrophobicContact CE1-CB 4.14Å; F745-E856 HydrophobicContact CE1-CG 4.48Å; F745-E856 HydrophobicContact CZ-CB 3.67Å; F745-E856 HydrophobicContact CZ-CG 3.8Å; F745-I860 HydrophobicContact CD1-CD1 3.93Å; F745-I860 HydrophobicContact CD1-CG1 3.98Å; F745-I860 HydrophobicContact CE1-CD1 3.62Å; F745-I860 HydrophobicContact CE1-CG1 3.7Å; F745-I860 HydrophobicContact CZ-CG1 4.48Å
746	N	89.1	Confident	77.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122	176.1	-49.2	-31.2	0	0	0	108.5	I697 W698 N700 H740 T810	I697-N746 WeakPolarHBondContact CA-O 3.46Å; W698-N746 HydrophobicContact CD2-CB 3.62Å; W698-N746 VanDerWaalsContact CD2-ND2 3.33Å; W698-N746 VanDerWaalsContact CE2-CB 3.49Å; W698-N746 HydrophobicContact CE3-CB 4.2Å; W698-N746 HydrophobicContact CG-CB 3.85Å; W698-N746 WeakPolarHBondContact CH2-ND2 3.46Å; W698-N746 HydrophobicContact CZ2-CB 4.02Å; W698-N746 WeakPolarHBondContact CZ3-ND2 3.49Å; W698-N746 PolarHBondContact N-O 3.44Å; W698-N746 WeakPolarHBondContact O-CB 3.38Å; W698-N746 PolarHBondContact O-N 2.91Å; N700-N746 PolarHBondContact OD1-ND2 2.82Å; H740-N746 VanDerWaalsContact ND1-CG 3.33Å; H740-N746 PolarHBondContact ND1-ND2 2.66Å; H740-N746 VanDerWaalsContact ND1-ND2 3.14Å; H740-N746 PolarHBondContact ND1-OD1 2.8Å; N746-T810 VanDerWaalsContact OD1-CG2 3.26Å; N746-T810 WeakPolarHBondContact OD1-CG2 3.48Å
747	F	87.9	Confident	77.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.4	179.9	-55.6	-91.4	0	0	0	110.1	L695 I697 F745 Y749 H808 F809 L811 I863	L695-F747 HydrophobicContact CD1-CB 4.28Å; L695-F747 HydrophobicContact CD1-CD1 4.45Å; I697-F747 HydrophobicContact CB-CD1 4.4Å; I697-F747 HydrophobicContact CD1-CD1 4.09Å; I697-F747 HydrophobicContact CD1-CE1 4.07Å; I697-F747 HydrophobicContact CG1-CD1 3.94Å; I697-F747 HydrophobicContact CG1-CE1 4.33Å; I697-F747 HydrophobicContact CG2-CD1 3.84Å; I697-F747 HydrophobicContact CG2-CE1 3.74Å; F745-F747 HydrophobicContact CB-CD2 4.17Å; F745-F747 HydrophobicContact CB-CE2 3.37Å; F745-F747 HydrophobicContact CB-CZ 3.62Å; F745-F747 HydrophobicContact CG-CE2 4.28Å; F745-F747 HydrophobicContact CG-CZ 4.16Å; F747-Y749 HydrophobicContact CB-CD2 4.35Å; F747-Y749 HydrophobicContact CB-CE2 3.82Å; F747-H808 CarbonylContact O-C 3.6Å; F747-H808 WeakPolarHBondContact O-CA 3.47Å; F747-F809 HydrophobicContact CB-CD1 4.25Å; F747-F809 HydrophobicContact CB-CE1 3.89Å; F747-F809 HydrophobicContact CB-CE2 4.16Å; F747-F809 HydrophobicContact CB-CZ 3.81Å; F747-F809 HydrophobicContact CD2-CD2 4.02Å; F747-F809 AromaticContact CD2-CE2 3.37Å; F747-F809 HydrophobicContact CD2-CE2 3.37Å; F747-F809 AromaticContact CD2-CZ 3.71Å; F747-F809 HydrophobicContact CD2-CZ 3.71Å; F747-F809 HydrophobicContact CE2-CE2 4.02Å; F747-F809 HydrophobicContact CE2-CZ 4.48Å; F747-F809 HydrophobicContact CG-CE1 4.49Å; F747-F809 HydrophobicContact CG-CE2 4.05Å; F747-F809 AromaticContact CG-CZ 3.92Å; F747-F809 HydrophobicContact CG-CZ 3.92Å; F747-F809 PolarHBondContact N-O 2.96Å; F747-F809 PolarHBondContact O-N 3.02Å; F747-L811 HydrophobicContact CE2-CB 4.09Å; F747-L811 HydrophobicContact CE2-CD1 4.43Å; F747-I863 HydrophobicContact CD1-CG2 4.21Å; F747-I863 HydrophobicContact CE1-CB 4.42Å; F747-I863 HydrophobicContact CE1-CD1 3.65Å; F747-I863 HydrophobicContact CE1-CG2 3.9Å; F747-I863 HydrophobicContact CE2-CD1 4.37Å; F747-I863 HydrophobicContact CZ-CD1 3.47Å; F747-I863 VanDerWaalsContact CZ-CD1 3.47Å
748	S	87	Confident	77.8	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	98.3	-172.2	-26.3	0	0	0	0	109.1	L696 W698 Y806	L696-S748 PolarHBondContact N-O 3.49Å; L696-S748 WeakPolarHBondContact O-CB 3.44Å; L696-S748 PolarHBondContact O-N 3.14Å; L696-S748 PolarHBondContact O-OG 3.05Å; L696-S748 VanDerWaalsContact O-OG 3.12Å; W698-S748 PolarHBondContact NE1-OG 3.22Å; S748-Y806 WeakPolarHBondContact CB-OH 3.12Å
749	Y	86.4	Confident	78.1	Confident	13 Å²	13	40.5 Å²	40.5	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.7	-179.8	-70.2	-99.6	0	0	0	110.1	A694 L695 F747 N761 V765 Y806 H807 F809 Y867	A694-Y749 WeakPolarHBondContact O-CA 3.16Å; L695-Y749 HydrophobicContact CD1-CD1 4.08Å; L695-Y749 HydrophobicContact CD1-CD2 3.89Å; L695-Y749 HydrophobicContact CD1-CE1 3.83Å; L695-Y749 HydrophobicContact CD1-CE2 3.58Å; L695-Y749 HydrophobicContact CD1-CG 4.13Å; L695-Y749 HydrophobicContact CD2-CE1 4.09Å; L695-Y749 HydrophobicContact CG-CE1 4.39Å; F747-Y749 HydrophobicContact CB-CD2 4.35Å; F747-Y749 HydrophobicContact CB-CE2 3.82Å; Y749-N761 WeakPolarHBondContact CB-ND2 3.36Å; Y749-N761 HydrophobicContact CD1-CB 4.26Å; Y749-N761 WeakPolarHBondContact CD1-ND2 3.4Å; Y749-N761 HydrophobicContact CD2-CB 4.45Å; Y749-N761 HydrophobicContact CE1-CB 4.19Å; Y749-N761 HydrophobicContact CE2-CB 4.41Å; Y749-N761 HydrophobicContact CG-CB 4.37Å; Y749-V765 WeakPolarHBondContact OH-CG2 3.26Å; Y749-Y806 WeakPolarHBondContact O-CA 3.39Å; Y749-Y806 WeakPolarHBondContact O-CD2 3.4Å; Y749-H807 AromaticContact CD2-CE1 3.7Å; Y749-H807 PolarHBondContact N-O 3.12Å; Y749-H807 PolarHBondContact O-N 2.85Å; Y749-F809 HydrophobicContact CD2-CD1 4.42Å; Y749-F809 AromaticContact CD2-CE1 3.94Å; Y749-F809 HydrophobicContact CD2-CE1 3.94Å; Y749-F809 HydrophobicContact CE2-CD1 4.33Å; Y749-F809 AromaticContact CE2-CE1 3.45Å; Y749-F809 HydrophobicContact CE2-CE1 3.45Å; Y749-F809 VanDerWaalsContact CE2-CE1 3.45Å; Y749-F809 HydrophobicContact CE2-CZ 4.11Å; Y749-Y867 HydrophobicContact CD1-CD2 4.44Å; Y749-Y867 AromaticContact CD1-CE2 4Å; Y749-Y867 HydrophobicContact CD1-CE2 4Å; Y749-Y867 AromaticContact CE1-CD2 3.84Å; Y749-Y867 HydrophobicContact CE1-CD2 3.84Å; Y749-Y867 AromaticContact CE1-CE2 3.86Å; Y749-Y867 HydrophobicContact CE1-CE2 3.86Å
750	L	82.4	Confident	78	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.5	179.7	-176	54.5	0	0	0	109.1	L683 L684 W687 N693 A694 C804 Y806	L683-L750 WeakPolarHBondContact O-CD2 3.18Å; L684-L750 HydrophobicContact CD2-CD1 3.71Å; W687-L750 HydrophobicContact CB-CD2 4.42Å; W687-L750 HydrophobicContact CD2-CD2 3.35Å; W687-L750 HydrophobicContact CD2-CG 4.2Å; W687-L750 HydrophobicContact CE3-CD2 3.68Å; W687-L750 HydrophobicContact CG-CD2 3.68Å; W687-L750 HydrophobicContact CG-CG 4.31Å; W687-L750 HydrophobicContact CH2-CD2 4.5Å; W687-L750 HydrophobicContact CZ2-CD2 4.2Å; W687-L750 HydrophobicContact CZ3-CD2 4.26Å; N693-L750 CarbonylContact C-O 3.58Å; N693-L750 VanDerWaalsContact CA-O 3.32Å; N693-L750 WeakPolarHBondContact CA-O 3.3Å; A694-L750 HydrophobicContact CB-CB 4.34Å; A694-L750 PolarHBondContact N-O 3.41Å; A694-L750 PolarHBondContact O-N 3.19Å; L750-C804 HydrophobicContact CD1-CB 3.83Å; L750-Y806 HydrophobicContact CB-CD2 4.49Å; L750-Y806 HydrophobicContact CD1-CD2 4.24Å
751	T	76.3	Confident	78.1	Confident	13 Å²	13	45.1 Å²	45.1	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.5	-179.7	60.3	0	0	0	0	111.2	P692 K753 C804 A805	P692-T751 CarbonylContact O-C 3.59Å; P692-T751 VanDerWaalsContact O-CA 3.25Å; P692-T751 WeakPolarHBondContact O-CA 3.07Å; T751-K753 PolarHBondContact O-N 3.42Å; T751-K753 PolarHBondContact OG1-O 3.45Å; T751-C804 CarbonylContact O-C 3.49Å; T751-C804 VanDerWaalsContact O-CA 3.28Å; T751-C804 WeakPolarHBondContact O-CA 3.44Å; T751-A805 PolarHBondContact N-O 2.92Å; T751-A805 PolarHBondContact O-N 2.9Å; T751-A805 PolarHBondContact OG1-O 3.14Å
752	S	65.9	Low	78.4	Confident	32 Å²	32	44.5 Å²	44.5	22%	0.224	21%	0.212	C	C	.	.	S	Bend	trans	-63.1	-29.4	173.6	59.2	0	0	0	0	112.6	P692 Q754	P692-S752 WeakPolarHBondContact CA-OG 3.39Å; P692-S752 WeakPolarHBondContact CB-OG 3.29Å; P692-S752 PolarHBondContact O-N 3.04Å; P692-S752 PolarHBondContact O-OG 3.19Å; S752-Q754 PolarHBondContact O-N 3.29Å
753	K	64.6	Low	78.8	Confident	83 Å²	83	44.9 Å²	44.9	36%	0.361	22%	0.216	S	C	.	.	S	Bend	trans	-56.9	127.4	172.9	-70.8	151.3	-171.7	151.2	0	109.5	E661 T751 R755 A805	E661-K753 WeakPolarHBondContact OE1-CE 3.35Å; E661-K753 IonicContact OE1-NZ 2.72Å; E661-K753 PolarHBondContact OE1-NZ 2.92Å; E661-K753 IonicContact OE2-NZ 3.15Å; E661-K753 PolarHBondContact OE2-NZ 2.89Å; T751-K753 PolarHBondContact O-N 3.42Å; T751-K753 PolarHBondContact OG1-O 3.45Å; K753-R755 PolarHBondContact O-N 2.89Å; K753-A805 VanDerWaalsContact O-CB 3.23Å; K753-A805 WeakPolarHBondContact O-CB 3.24Å
754	Q	64.2	Low	79.2	Confident	135 Å²	135	45.9 Å²	45.9	63%	0.631	22%	0.223	S	C	*	.	S	Bend	trans	-69.6	23.8	178.9	-67.3	178.6	-13.8	0	0	114.1	S752 S802	S752-Q754 PolarHBondContact O-N 3.29Å; Q754-S802 PolarHBondContact NE2-O 2.63Å
755	R	62.6	Low	79.4	Confident	177 Å²	177	46 Å²	46	67%	0.668	22%	0.224	S	C	*	.	S	Bend	trans	-140.6	126.7	175.4	-65.5	-174.1	-179.2	-168.7	2	108.5	K753	K753-R755 PolarHBondContact O-N 2.89Å
756	H	64.8	Low	79.5	Confident	73 Å²	73	46.3 Å²	46.3	34%	0.338	23%	0.227	S	C	.	.			trans	-74.9	128.6	176.7	48.1	-104.7	0	0	0	110.9	R758 A805	H756-R758 PolarHBondContact O-N 2.73Å; H756-A805 HydrophobicContact CB-CB 4.15Å
757	H	71	Confident	79.5	Confident	90 Å²	90	52.3 Å²	52.3	42%	0.417	25%	0.253	S	S	.	.			trans	-77.5	37	175.1	-79.7	-86.2	0	0	0	112.9	L759 T760 N761	H757-L759 PolarHBondContact O-N 2.98Å; H757-T760 WeakPolarHBondContact CB-OG1 3.27Å; H757-T760 PolarHBondContact O-N 3.38Å; H757-T760 PolarHBondContact O-OG1 2.96Å; H757-N761 WeakPolarHBondContact CB-OD1 3.44Å; H757-N761 PolarHBondContact O-N 2.78Å; H757-N761 PolarHBondContact O-OD1 3.36Å
758	R	80.8	Confident	79.4	Confident	35 Å²	35	52.5 Å²	52.5	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-52.9	-52.6	-167.5	172.9	164.2	-176.6	-172.9	-7	114.3	H756 N761 L762 K782 H783 T796	H756-R758 PolarHBondContact O-N 2.73Å; R758-N761 PolarHBondContact O-N 3.07Å; R758-L762 HydrophobicContact CG-CD1 3.82Å; R758-L762 WeakPolarHBondContact O-CB 3.39Å; R758-L762 VanDerWaalsContact O-CG 3.29Å; R758-L762 WeakPolarHBondContact O-CG 3.27Å; R758-L762 PolarHBondContact O-N 2.81Å; R758-K782 PolarHBondContact NH2-O 3.13Å; R758-K782 VanDerWaalsContact NH2-O 3.14Å; R758-H783 HydrophobicContact CG-CB 4.12Å; R758-H783 VanDerWaalsContact NE-CB 3.27Å; R758-H783 PolarHBondContact NH2-O 2.91Å; R758-T796 PolarHBondContact NH2-OG1 3.09Å
759	L	82.7	Confident	79.5	Confident	78 Å²	78	52.4 Å²	52.4	41%	0.408	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-43.3	-177.3	177.5	60.4	0	0	0	111.5	H757 L762 L763 I779	H757-L759 PolarHBondContact O-N 2.98Å; L759-L762 PolarHBondContact O-N 2.77Å; L759-L763 HydrophobicContact CD1-CD1 4.21Å; L759-L763 HydrophobicContact CD1-CG 4.27Å; L759-L763 HydrophobicContact CG-CD1 4.02Å; L759-L763 WeakPolarHBondContact O-CB 3.35Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.32Å; L759-L763 PolarHBondContact O-N 2.74Å; L759-I779 HydrophobicContact CD1-CD1 4.25Å; L759-I779 HydrophobicContact CD1-CG2 3.92Å
760	T	81.8	Confident	79.5	Confident	78 Å²	78	53.5 Å²	53.5	48%	0.479	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-40.5	177	32.4	0	0	0	0	112.5	H757 L763 A764	H757-T760 WeakPolarHBondContact CB-OG1 3.27Å; H757-T760 PolarHBondContact O-N 3.38Å; H757-T760 PolarHBondContact O-OG1 2.96Å; T760-L763 PolarHBondContact O-N 3.32Å; T760-A764 WeakPolarHBondContact O-CB 3.17Å; T760-A764 PolarHBondContact O-N 2.79Å
761	N	84.9	Confident	79.6	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-39.1	179.1	-60.2	12.5	0	0	0	111.3	Y749 H757 R758 A764 V765	Y749-N761 WeakPolarHBondContact CB-ND2 3.36Å; Y749-N761 HydrophobicContact CD1-CB 4.26Å; Y749-N761 WeakPolarHBondContact CD1-ND2 3.4Å; Y749-N761 HydrophobicContact CD2-CB 4.45Å; Y749-N761 HydrophobicContact CE1-CB 4.19Å; Y749-N761 HydrophobicContact CE2-CB 4.41Å; Y749-N761 HydrophobicContact CG-CB 4.37Å; H757-N761 WeakPolarHBondContact CB-OD1 3.44Å; H757-N761 PolarHBondContact O-N 2.78Å; H757-N761 PolarHBondContact O-OD1 3.36Å; R758-N761 PolarHBondContact O-N 3.07Å; N761-A764 PolarHBondContact O-N 3.14Å; N761-V765 WeakPolarHBondContact O-CG2 3.49Å; N761-V765 PolarHBondContact O-N 2.94Å; N761-V765 VanDerWaalsContact O-N 3.11Å
762	L	88	Confident	80	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-39.4	174.1	-68.8	167.1	0	0	0	111.8	R758 L759 V765 C766 I779 H783 I785 H807 F809	R758-L762 HydrophobicContact CG-CD1 3.82Å; R758-L762 WeakPolarHBondContact O-CB 3.39Å; R758-L762 VanDerWaalsContact O-CG 3.29Å; R758-L762 WeakPolarHBondContact O-CG 3.27Å; R758-L762 PolarHBondContact O-N 2.81Å; L759-L762 PolarHBondContact O-N 2.77Å; L762-V765 PolarHBondContact O-N 2.88Å; L762-C766 PolarHBondContact O-N 2.78Å; L762-C766 PolarHBondContact O-SG 2.88Å; L762-C766 VanDerWaalsContact O-SG 3.34Å; L762-I779 HydrophobicContact CB-CD1 3.72Å; L762-H783 HydrophobicContact CD1-CB 3.89Å; L762-H783 WeakPolarHBondContact CD1-O 3.31Å; L762-I785 HydrophobicContact CD2-CD1 3.96Å; L762-I785 HydrophobicContact CD2-CG1 4.13Å; L762-H807 WeakPolarHBondContact CD2-NE2 3.17Å; L762-H807 WeakPolarHBondContact CG-NE2 3.5Å; L762-F809 HydrophobicContact CD2-CB 4.37Å; L762-F809 HydrophobicContact CD2-CD1 3.79Å; L762-F809 HydrophobicContact CD2-CD2 4.1Å; L762-F809 HydrophobicContact CD2-CE1 3.93Å; L762-F809 HydrophobicContact CD2-CE2 4.29Å; L762-F809 HydrophobicContact CD2-CG 3.84Å; L762-F809 HydrophobicContact CD2-CZ 4.2Å
763	L	88.2	Confident	80.8	Confident	91 Å²	91	59.5 Å²	59.5	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-42	173.9	-77.7	168.2	0	0	0	112.2	L759 T760 V765 C766 K767 I779	L759-L763 HydrophobicContact CD1-CD1 4.21Å; L759-L763 HydrophobicContact CD1-CG 4.27Å; L759-L763 HydrophobicContact CG-CD1 4.02Å; L759-L763 WeakPolarHBondContact O-CB 3.35Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.32Å; L759-L763 PolarHBondContact O-N 2.74Å; T760-L763 PolarHBondContact O-N 3.32Å; L763-V765 VanDerWaalsContact C-N 3.35Å; L763-C766 PolarHBondContact O-N 2.87Å; L763-K767 WeakPolarHBondContact O-CB 3.5Å; L763-K767 PolarHBondContact O-N 2.7Å; L763-I779 HydrophobicContact CB-CD1 4.36Å; L763-I779 HydrophobicContact CD2-CD1 3.68Å; L763-I779 HydrophobicContact CG-CD1 3.71Å
764	A	84.8	Confident	81.6	Confident	26 Å²	26	58.5 Å²	58.5	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-45.7	175.2	0	0	0	0	0	111.2	T760 N761 K767 C768	T760-A764 WeakPolarHBondContact O-CB 3.17Å; T760-A764 PolarHBondContact O-N 2.79Å; N761-A764 PolarHBondContact O-N 3.14Å; A764-K767 WeakPolarHBondContact O-CB 3.09Å; A764-K767 PolarHBondContact O-N 2.9Å; A764-C768 PolarHBondContact O-N 3.48Å; A764-C768 PolarHBondContact O-SG 3.4Å
765	V	87.7	Confident	82.5	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-69.1	-40	177.3	171.1	0	0	0	0	112.8	Y749 N761 L762 L763 K767 C768 V769 F809 L811 I863	Y749-V765 WeakPolarHBondContact OH-CG2 3.26Å; N761-V765 WeakPolarHBondContact O-CG2 3.49Å; N761-V765 PolarHBondContact O-N 2.94Å; N761-V765 VanDerWaalsContact O-N 3.11Å; L762-V765 PolarHBondContact O-N 2.88Å; L763-V765 VanDerWaalsContact C-N 3.35Å; V765-K767 VanDerWaalsContact C-N 3.3Å; V765-K767 PolarHBondContact O-N 3.44Å; V765-C768 PolarHBondContact O-N 3.4Å; V765-V769 HydrophobicContact CG1-CG2 4.44Å; V765-V769 WeakPolarHBondContact O-CG2 3.27Å; V765-V769 PolarHBondContact O-N 3.11Å; V765-F809 HydrophobicContact CB-CZ 3.99Å; V765-F809 HydrophobicContact CG1-CE2 4.09Å; V765-F809 HydrophobicContact CG1-CZ 3.98Å; V765-F809 HydrophobicContact CG2-CE1 4.48Å; V765-F809 HydrophobicContact CG2-CZ 3.67Å; V765-L811 HydrophobicContact CG1-CD1 3.82Å; V765-I863 HydrophobicContact CB-CD1 4.48Å; V765-I863 HydrophobicContact CG1-CD1 3.85Å; V765-I863 HydrophobicContact CG2-CD1 4.14Å; V765-I863 HydrophobicContact CG2-CG1 4.22Å; V765-I863 HydrophobicContact CG2-CG2 4.06Å
766	C	89.1	Confident	83.6	Confident	9 Å²	9	50 Å²	50	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-40.7	171.5	-71.4	0	0	0	0	112	L762 L763 A770 L777	L762-C766 PolarHBondContact O-N 2.78Å; L762-C766 PolarHBondContact O-SG 2.88Å; L762-C766 VanDerWaalsContact O-SG 3.34Å; L763-C766 PolarHBondContact O-N 2.87Å; C766-A770 VanDerWaalsContact O-CB 3.27Å; C766-A770 WeakPolarHBondContact O-CB 3.27Å; C766-A770 PolarHBondContact O-N 3.01Å; C766-L777 HydrophobicContact CB-CB 4.1Å
767	K	88	Confident	84.7	Confident	126 Å²	126	47.8 Å²	47.8	55%	0.548	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-46.9	173.8	173.7	-160.6	167.2	-151.8	0	111.4	L763 A764 V765 A770 S771 D866	L763-K767 WeakPolarHBondContact O-CB 3.5Å; L763-K767 PolarHBondContact O-N 2.7Å; A764-K767 WeakPolarHBondContact O-CB 3.09Å; A764-K767 PolarHBondContact O-N 2.9Å; V765-K767 VanDerWaalsContact C-N 3.3Å; V765-K767 PolarHBondContact O-N 3.44Å; K767-A770 PolarHBondContact O-N 3.07Å; K767-S771 WeakPolarHBondContact O-CB 3.38Å; K767-S771 PolarHBondContact O-N 3.39Å; K767-S771 PolarHBondContact O-OG 3.5Å; K767-D866 IonicContact NZ-OD1 2.74Å; K767-D866 PolarHBondContact NZ-OD1 3.39Å
768	C	86.9	Confident	85.5	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-41.3	179.1	-65.8	0	0	0	0	112.6	A764 V765 S771 T772 A862 I863 D866	A764-C768 PolarHBondContact O-N 3.48Å; A764-C768 PolarHBondContact O-SG 3.4Å; V765-C768 PolarHBondContact O-N 3.4Å; C768-S771 PolarHBondContact O-OG 3.05Å; C768-S771 VanDerWaalsContact O-OG 3.04Å; C768-T772 WeakPolarHBondContact O-CB 3.38Å; C768-T772 WeakPolarHBondContact O-CG2 3.44Å; C768-T772 PolarHBondContact O-N 2.67Å; C768-T772 PolarHBondContact O-OG1 3.18Å; C768-A862 HydrophobicContact CB-CB 4.32Å; C768-I863 HydrophobicContact CB-CG1 3.64Å; C768-D866 WeakPolarHBondContact SG-CB 3.37Å
769	V	87.8	Confident	85.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-44.7	174.7	175	0	0	0	0	110.3	V765 S771 T772 T773 L777 L811 L847 I859	V765-V769 HydrophobicContact CG1-CG2 4.44Å; V765-V769 WeakPolarHBondContact O-CG2 3.27Å; V765-V769 PolarHBondContact O-N 3.11Å; V769-S771 PolarHBondContact O-N 2.99Å; V769-T772 PolarHBondContact O-N 2.99Å; V769-T772 PolarHBondContact O-OG1 2.89Å; V769-T773 HydrophobicContact CG1-CG2 4.14Å; V769-T773 WeakPolarHBondContact O-CB 3.36Å; V769-T773 WeakPolarHBondContact O-CG2 3.23Å; V769-T773 PolarHBondContact O-N 3.01Å; V769-T773 PolarHBondContact O-OG1 3.13Å; V769-L777 HydrophobicContact CB-CD1 3.99Å; V769-L777 HydrophobicContact CG1-CD1 3.7Å; V769-L777 HydrophobicContact CG2-CD1 4.5Å; V769-L811 HydrophobicContact CG2-CD1 4.19Å; V769-L847 HydrophobicContact CG1-CD1 3.84Å; V769-I859 HydrophobicContact CG2-CG2 4Å
770	A	87.3	Confident	85.9	Confident	35 Å²	35	45.2 Å²	45.2	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-41.8	177.1	0	0	0	0	0	112.6	C766 K767 T772 G774 I775	C766-A770 VanDerWaalsContact O-CB 3.27Å; C766-A770 WeakPolarHBondContact O-CB 3.27Å; C766-A770 PolarHBondContact O-N 3.01Å; K767-A770 PolarHBondContact O-N 3.07Å; A770-T772 VanDerWaalsContact C-N 3.34Å; A770-T772 PolarHBondContact O-N 3.24Å; A770-G774 VanDerWaalsContact O-CA 3.27Å; A770-G774 WeakPolarHBondContact O-CA 3.44Å; A770-G774 PolarHBondContact O-N 3.15Å; A770-I775 WeakPolarHBondContact CA-O 3.43Å; A770-I775 WeakPolarHBondContact CB-O 3.34Å
771	S	84.5	Confident	85.7	Confident	92 Å²	92	47.9 Å²	47.9	64%	0.643	29%	0.291	S	S	*	.	H	α-helix	trans	-71.7	-24.1	179.5	62.4	0	0	0	0	114.3	K767 C768 V769	K767-S771 WeakPolarHBondContact O-CB 3.38Å; K767-S771 PolarHBondContact O-N 3.39Å; K767-S771 PolarHBondContact O-OG 3.5Å; C768-S771 PolarHBondContact O-OG 3.05Å; C768-S771 VanDerWaalsContact O-OG 3.04Å; V769-S771 PolarHBondContact O-N 2.99Å
772	T	83.7	Confident	85.3	Confident	54 Å²	54	53.9 Å²	53.9	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-97.8	-22.8	-179.4	49	0	0	0	0	114	C768 V769 A770 A862	C768-T772 WeakPolarHBondContact O-CB 3.38Å; C768-T772 WeakPolarHBondContact O-CG2 3.44Å; C768-T772 PolarHBondContact O-N 2.67Å; C768-T772 PolarHBondContact O-OG1 3.18Å; V769-T772 PolarHBondContact O-N 2.99Å; V769-T772 PolarHBondContact O-OG1 2.89Å; A770-T772 VanDerWaalsContact C-N 3.34Å; A770-T772 PolarHBondContact O-N 3.24Å; T772-A862 HydrophobicContact CG2-CB 3.55Å
773	T	82.4	Confident	85	Confident	35 Å²	35	56.9 Å²	56.9	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-124.7	-14.3	-172	71.2	0	0	0	0	114.4	V769 I775 L854 I859	V769-T773 HydrophobicContact CG1-CG2 4.14Å; V769-T773 WeakPolarHBondContact O-CB 3.36Å; V769-T773 WeakPolarHBondContact O-CG2 3.23Å; V769-T773 PolarHBondContact O-N 3.01Å; V769-T773 PolarHBondContact O-OG1 3.13Å; T773-I775 PolarHBondContact O-N 2.84Å; T773-I775 WeakPolarHBondContact OG1-CB 3.14Å; T773-I775 WeakPolarHBondContact OG1-CG1 3.33Å; T773-I775 PolarHBondContact OG1-N 2.87Å; T773-I775 VanDerWaalsContact OG1-N 3.12Å; T773-L854 HydrophobicContact CG2-CD2 3.29Å; T773-I859 HydrophobicContact CG2-CD1 3.55Å; T773-I859 HydrophobicContact CG2-CG1 4.31Å
774	G	81.8	Confident	84.8	Confident	62 Å²	62	53.1 Å²	53.1	64%	0.639	31%	0.31	S	S	*	.			trans	73.5	-7.1	-169.5	0	0	0	0	0	114.9	A770 T776	A770-G774 VanDerWaalsContact O-CA 3.27Å; A770-G774 WeakPolarHBondContact O-CA 3.44Å; A770-G774 PolarHBondContact O-N 3.15Å; G774-T776 PolarHBondContact O-N 3.15Å
775	I	84.2	Confident	85	Confident	14 Å²	14	52 Å²	52	7%	0.072	30%	0.3	C	S	.	.			trans	-74.3	118.3	-177.2	-57.6	173.9	0	0	0	110	A770 T773 L777 L787 L847 A851	A770-I775 WeakPolarHBondContact CA-O 3.43Å; A770-I775 WeakPolarHBondContact CB-O 3.34Å; T773-I775 PolarHBondContact O-N 2.84Å; T773-I775 WeakPolarHBondContact OG1-CB 3.14Å; T773-I775 WeakPolarHBondContact OG1-CG1 3.33Å; T773-I775 PolarHBondContact OG1-N 2.87Å; T773-I775 VanDerWaalsContact OG1-N 3.12Å; I775-L777 HydrophobicContact CG2-CD2 3.92Å; I775-L777 HydrophobicContact CG2-CG 4.25Å; I775-L787 HydrophobicContact CG2-CD1 3.65Å; I775-L847 HydrophobicContact CD1-CB 4.36Å; I775-L847 HydrophobicContact CD1-CD2 4.34Å; I775-L847 HydrophobicContact CG2-CD2 4.37Å; I775-A851 HydrophobicContact CD1-CB 4.1Å
776	T	84.3	Confident	85	Confident	120 Å²	120	52.6 Å²	52.6	74%	0.736	30%	0.303	S	S	*	.			trans	-76.3	123.6	172.1	45.5	0	0	0	0	110.7	G774	G774-T776 PolarHBondContact O-N 3.15Å
777	L	89	Confident	84.9	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.131	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.2	179.6	-64.9	178.1	0	0	0	110.5	C766 V769 I775 I785 L787 L847	C766-L777 HydrophobicContact CB-CB 4.1Å; V769-L777 HydrophobicContact CB-CD1 3.99Å; V769-L777 HydrophobicContact CG1-CD1 3.7Å; V769-L777 HydrophobicContact CG2-CD1 4.5Å; I775-L777 HydrophobicContact CG2-CD2 3.92Å; I775-L777 HydrophobicContact CG2-CG 4.25Å; L777-I785 HydrophobicContact CB-CG2 4.01Å; L777-I785 HydrophobicContact CD1-CG2 4.1Å; L777-I785 HydrophobicContact CD2-CG2 4.29Å; L777-I785 HydrophobicContact CG-CG2 4.37Å; L777-L787 HydrophobicContact CD2-CB 4.19Å; L777-L787 HydrophobicContact CD2-CD1 4.17Å; L777-L847 HydrophobicContact CD2-CD2 4.02Å
778	S	87	Confident	84.7	Confident	36 Å²	36	50.8 Å²	50.8	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	165.8	177.7	71.1	0	0	0	0	111.3	I785 L786 D789	S778-I785 WeakPolarHBondContact O-CA 3.26Å; S778-L786 PolarHBondContact N-O 3.45Å; S778-L786 PolarHBondContact O-N 2.89Å; S778-D789 WeakPolarHBondContact CB-OD1 3.5Å; S778-D789 PolarHBondContact OG-OD1 2.89Å
779	I	88.3	Confident	84.4	Confident	41 Å²	41	56.4 Å²	56.4	21%	0.21	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.6	-178.7	-60.1	172.5	0	0	0	109.5	L759 L762 L763	L759-I779 HydrophobicContact CD1-CD1 4.25Å; L759-I779 HydrophobicContact CD1-CG2 3.92Å; L762-I779 HydrophobicContact CB-CD1 3.72Å; L763-I779 HydrophobicContact CB-CD1 4.36Å; L763-I779 HydrophobicContact CD2-CD1 3.68Å; L763-I779 HydrophobicContact CG-CD1 3.71Å
780	N	83.4	Confident	84.2	Confident	73 Å²	73	63 Å²	63	39%	0.39	35%	0.354	S	S	.	.			trans	-77.2	161.6	-177.4	-131	-16.1	0	0	0	111.7	K782 H783 D784 L786	N780-K782 PolarHBondContact O-N 2.9Å; N780-H783 WeakPolarHBondContact O-CA 3.38Å; N780-H783 PolarHBondContact O-N 2.86Å; N780-D784 HydrophobicContact CB-CB 4.37Å; N780-D784 WeakPolarHBondContact CB-O 3.4Å; N780-D784 PolarHBondContact N-O 3.35Å; N780-L786 HydrophobicContact CB-CG 4.36Å; N780-L786 WeakPolarHBondContact ND2-CD1 3.37Å
781	N	79.1	Confident	84.1	Confident	133 Å²	133	65 Å²	65	71%	0.711	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19	174.6	-75.7	-13	0	0	0	114.2
782	K	76.9	Confident	84.2	Confident	152 Å²	152	62.3 Å²	62.3	66%	0.661	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1	172.1	-68.6	-175	177.7	179.9	0	113.6	R758 N780 D784	R758-K782 PolarHBondContact NH2-O 3.13Å; R758-K782 VanDerWaalsContact NH2-O 3.14Å; N780-K782 PolarHBondContact O-N 2.9Å; K782-D784 VanDerWaalsContact C-N 3.27Å
783	H	81.8	Confident	84.2	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.292	32%	0.316	S	S	.	.	S	Bend	trans	54.4	42.1	-166	-54.3	-52.4	0	0	0	112.5	R758 L762 N780	R758-H783 HydrophobicContact CG-CB 4.12Å; R758-H783 VanDerWaalsContact NE-CB 3.27Å; R758-H783 PolarHBondContact NH2-O 2.91Å; L762-H783 HydrophobicContact CD1-CB 3.89Å; L762-H783 WeakPolarHBondContact CD1-O 3.31Å; N780-H783 WeakPolarHBondContact O-CA 3.38Å; N780-H783 PolarHBondContact O-N 2.86Å
784	D	83.8	Confident	84.2	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.07	31%	0.307	C	S	.	.			trans	-98.1	141.1	165.2	-71	-41.8	0	0	0	108.3	N780 K782 K792	N780-D784 HydrophobicContact CB-CB 4.37Å; N780-D784 WeakPolarHBondContact CB-O 3.4Å; N780-D784 PolarHBondContact N-O 3.35Å; K782-D784 VanDerWaalsContact C-N 3.27Å; D784-K792 VanDerWaalsContact CG-CE 3.43Å; D784-K792 VanDerWaalsContact OD1-CE 3.27Å; D784-K792 WeakPolarHBondContact OD1-CE 3.47Å; D784-K792 IonicContact OD1-NZ 3.97Å; D784-K792 PolarHBondContact OD1-NZ 3.43Å; D784-K792 IonicContact OD2-NZ 2.74Å; D784-K792 PolarHBondContact OD2-NZ 3.09Å
785	I	87.4	Confident	83.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.3	171.5	-58.9	176.3	0	0	0	109.4	L762 L777 S778 V793 S794	L762-I785 HydrophobicContact CD2-CD1 3.96Å; L762-I785 HydrophobicContact CD2-CG1 4.13Å; L777-I785 HydrophobicContact CB-CG2 4.01Å; L777-I785 HydrophobicContact CD1-CG2 4.1Å; L777-I785 HydrophobicContact CD2-CG2 4.29Å; L777-I785 HydrophobicContact CG-CG2 4.37Å; S778-I785 WeakPolarHBondContact O-CA 3.26Å; I785-V793 PolarHBondContact O-N 2.59Å; I785-S794 PolarHBondContact N-OG 3.08Å
786	L	88.1	Confident	83.6	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.2	170.8	-60.6	-168.8	0	0	0	112.5	S778 N780 D789 Y791 K792	S778-L786 PolarHBondContact N-O 3.45Å; S778-L786 PolarHBondContact O-N 2.89Å; N780-L786 HydrophobicContact CB-CG 4.36Å; N780-L786 WeakPolarHBondContact ND2-CD1 3.37Å; L786-D789 WeakPolarHBondContact CD1-O 3.47Å; L786-Y791 CarbonylContact C-O 3.59Å; L786-Y791 VanDerWaalsContact CA-O 3.28Å; L786-Y791 WeakPolarHBondContact CA-O 3.48Å; L786-K792 HydrophobicContact CD2-CB 4.22Å
787	L	86.7	Confident	83.2	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.4	165.4	171.9	68.5	0	0	0	108.3	I775 L777 D789 K790 Y791 V793 K845 L847 V850	I775-L787 HydrophobicContact CG2-CD1 3.65Å; L777-L787 HydrophobicContact CD2-CB 4.19Å; L777-L787 HydrophobicContact CD2-CD1 4.17Å; L787-D789 PolarHBondContact O-N 2.99Å; L787-D789 VanDerWaalsContact O-N 3.09Å; L787-K790 PolarHBondContact O-N 3.22Å; L787-Y791 PolarHBondContact N-O 3.25Å; L787-Y791 PolarHBondContact O-N 3.28Å; L787-V793 HydrophobicContact CB-CG2 3.53Å; L787-V793 HydrophobicContact CD2-CG2 4.27Å; L787-K845 HydrophobicContact CD2-CB 3.91Å; L787-K845 HydrophobicContact CD2-CD 3.74Å; L787-K845 HydrophobicContact CD2-CG 4.5Å; L787-L847 HydrophobicContact CD2-CD2 4.45Å; L787-V850 HydrophobicContact CD1-CG2 4.29Å; L787-V850 HydrophobicContact CD2-CG2 3.77Å; L787-V850 HydrophobicContact CG-CG2 4.46Å
788	E	83.7	Confident	82.6	Confident	91 Å²	91	51.2 Å²	51.2	43%	0.425	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	24.5	-178	-58.9	162.4	-170	0	0	114.5	K790 Y791 K845	E788-K790 WeakPolarHBondContact O-CG 3.38Å; E788-K790 PolarHBondContact O-N 3.45Å; E788-Y791 HydrophobicContact CB-CD2 4.42Å; E788-Y791 WeakPolarHBondContact OE2-CD2 3.43Å; E788-Y791 WeakPolarHBondContact OE2-CE2 3.38Å; E788-K845 IonicContact OE1-NZ 2.81Å; E788-K845 PolarHBondContact OE1-NZ 3.13Å; E788-K845 IonicContact OE2-NZ 3.83Å; E788-K845 PolarHBondContact OE2-NZ 3.49Å
789	D	81.8	Confident	82.1	Confident	121 Å²	121	52.2 Å²	52.2	65%	0.647	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	18.2	-169.8	-67.3	-28.7	0	0	0	115.2	S778 L786 L787	S778-D789 WeakPolarHBondContact CB-OD1 3.5Å; S778-D789 PolarHBondContact OG-OD1 2.89Å; L786-D789 WeakPolarHBondContact CD1-O 3.47Å; L787-D789 PolarHBondContact O-N 2.99Å; L787-D789 VanDerWaalsContact O-N 3.09Å
790	K	83.1	Confident	81.3	Confident	140 Å²	140	54.8 Å²	54.8	61%	0.609	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-41.9	-171.7	-71.9	165.3	-173.7	170.6	0	114.3	L787 E788 S843	L787-K790 PolarHBondContact O-N 3.22Å; E788-K790 WeakPolarHBondContact O-CG 3.38Å; E788-K790 PolarHBondContact O-N 3.45Å; K790-S843 PolarHBondContact O-OG 3.01Å; K790-S843 VanDerWaalsContact O-OG 3.1Å
791	Y	86	Confident	80.6	Confident	76 Å²	76	53.6 Å²	53.6	30%	0.298	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.6	-169.2	-61.5	-86	0	0	0	110.3	L786 L787 E788 S843 K845	L786-Y791 CarbonylContact C-O 3.59Å; L786-Y791 VanDerWaalsContact CA-O 3.28Å; L786-Y791 WeakPolarHBondContact CA-O 3.48Å; L787-Y791 PolarHBondContact N-O 3.25Å; L787-Y791 PolarHBondContact O-N 3.28Å; E788-Y791 HydrophobicContact CB-CD2 4.42Å; E788-Y791 WeakPolarHBondContact OE2-CD2 3.43Å; E788-Y791 WeakPolarHBondContact OE2-CE2 3.38Å; Y791-S843 CarbonylContact C-O 3.53Å; Y791-S843 WeakPolarHBondContact CA-O 3.29Å; Y791-K845 HydrophobicContact CD1-CB 4.42Å; Y791-K845 HydrophobicContact CD1-CD 3.96Å; Y791-K845 HydrophobicContact CD1-CG 3.65Å; Y791-K845 HydrophobicContact CD2-CD 3.65Å; Y791-K845 HydrophobicContact CD2-CG 4.26Å; Y791-K845 HydrophobicContact CE1-CD 4.39Å; Y791-K845 HydrophobicContact CE1-CG 4.25Å; Y791-K845 HydrophobicContact CE2-CD 4.13Å; Y791-K845 HydrophobicContact CG-CB 4.2Å; Y791-K845 HydrophobicContact CG-CD 3.57Å; Y791-K845 HydrophobicContact CG-CG 3.66Å
792	K	85.2	Confident	80	Confident	37 Å²	37	52 Å²	52	16%	0.161	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.4	179.5	-179.1	167.4	-179.5	159.2	0	110	D784 L786 S794 M812 S843 V844	D784-K792 VanDerWaalsContact CG-CE 3.43Å; D784-K792 VanDerWaalsContact OD1-CE 3.27Å; D784-K792 WeakPolarHBondContact OD1-CE 3.47Å; D784-K792 IonicContact OD1-NZ 3.97Å; D784-K792 PolarHBondContact OD1-NZ 3.43Å; D784-K792 IonicContact OD2-NZ 2.74Å; D784-K792 PolarHBondContact OD2-NZ 3.09Å; L786-K792 HydrophobicContact CD2-CB 4.22Å; K792-S794 WeakPolarHBondContact CE-O 3.02Å; K792-M812 WeakPolarHBondContact O-CE 3.21Å; K792-S843 PolarHBondContact N-O 3.21Å; K792-V844 HydrophobicContact CB-CG2 4.42Å; K792-V844 WeakPolarHBondContact O-CA 3.37Å
793	V	84.8	Confident	79.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.261	C	S	.	.			trans	-118.4	-4.5	-176.7	-170.2	0	0	0	0	112.8	I785 L787 M812 L847	I785-V793 PolarHBondContact O-N 2.59Å; L787-V793 HydrophobicContact CB-CG2 3.53Å; L787-V793 HydrophobicContact CD2-CG2 4.27Å; V793-M812 VanDerWaalsContact C-CE 3.47Å; V793-M812 HydrophobicContact CG1-CB 4.4Å; V793-M812 WeakPolarHBondContact CG1-O 3.4Å; V793-M812 WeakPolarHBondContact O-CB 3.43Å; V793-M812 PolarHBondContact O-N 2.86Å; V793-L847 HydrophobicContact CG1-CD2 3.78Å; V793-L847 HydrophobicContact CG1-CG 3.85Å; V793-L847 HydrophobicContact CG2-CD2 4.47Å
794	S	81.3	Confident	78.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.5	178.9	69	0	0	0	0	115	I785 K792 T810	I785-S794 PolarHBondContact N-OG 3.08Å; K792-S794 WeakPolarHBondContact CE-O 3.02Å; S794-T810 CarbonylContact C-O 3.56Å; S794-T810 WeakPolarHBondContact CA-O 3.34Å; S794-T810 WeakPolarHBondContact CB-O 3.49Å
795	G	76.9	Confident	78.6	Confident	12 Å²	12	47.2 Å²	47.2	12%	0.124	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	150.7	159.8	0	0	0	0	0	110.9	F809 T810	G795-F809 CarbonylContact O-C 3.52Å; G795-F809 WeakPolarHBondContact O-CA 3.28Å; G795-F809 VanDerWaalsContact O-CB 3.24Å; G795-F809 WeakPolarHBondContact O-CB 3.28Å; G795-T810 VanDerWaalsContact CA-OG1 3.31Å; G795-T810 WeakPolarHBondContact CA-OG1 3.46Å; G795-T810 PolarHBondContact N-O 3.16Å; G795-T810 VanDerWaalsContact N-O 3.13Å; G795-T810 PolarHBondContact N-OG1 3.12Å; G795-T810 VanDerWaalsContact N-OG1 3.07Å; G795-T810 PolarHBondContact O-N 3.13Å
796	T	76.7	Confident	78.4	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.16	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.6	-175.5	64.9	0	0	0	0	113.2	R758 H808 F809	R758-T796 PolarHBondContact NH2-OG1 3.09Å; T796-H808 CarbonylContact C-O 3.58Å; T796-H808 WeakPolarHBondContact CA-O 3.23Å; T796-F809 HydrophobicContact CG2-CB 3.94Å
797	A	77.2	Confident	78.2	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.033	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.9	170.2	0	0	0	0	0	111.1	H807 H808	A797-H807 PolarHBondContact O-CD2 2.85Å; A797-H808 HydrophobicContact CB-CB 4.42Å; A797-H808 PolarHBondContact N-O 2.86Å; A797-H808 PolarHBondContact O-N 3.19Å
798	A	76.1	Confident	78.1	Confident	32 Å²	32	46.7 Å²	46.7	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.5	175.3	0	0	0	0	0	110.9	Y806	A798-Y806 VanDerWaalsContact CA-O 3.23Å; A798-Y806 WeakPolarHBondContact CA-O 3.49Å; A798-Y806 WeakPolarHBondContact CB-O 3.27Å
799	K	75.3	Confident	78.2	Confident	57 Å²	57	42.3 Å²	42.3	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.3	170.9	-168.4	178.5	179	-176.2	0	106.6	Y806	K799-Y806 HydrophobicContact CB-CD1 3.94Å; K799-Y806 PolarHBondContact N-O 3.34Å; K799-Y806 WeakPolarHBondContact O-CA 3.43Å; K799-Y806 WeakPolarHBondContact O-CB 3.45Å; K799-Y806 PolarHBondContact O-N 2.77Å
800	I	72	Confident	78.4	Confident	96 Å²	96	36.7 Å²	36.7	49%	0.492	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.2	170.2	-53.1	178.2	0	0	0	106.4
801	T	68.5	Low	78.7	Confident	47 Å²	47	30.1 Å²	30.1	29%	0.288	16%	0.163	S	C	.	.			trans	-119.1	175.8	171.6	76.1	0	0	0	0	109	K803 C804	T801-K803 PolarHBondContact O-N 2.8Å; T801-K803 PolarHBondContact OG1-N 3.23Å; T801-C804 PolarHBondContact N-O 3.22Å; T801-C804 PolarHBondContact OG1-N 3.04Å; T801-C804 PolarHBondContact OG1-O 3.47Å; T801-C804 VanDerWaalsContact OG1-O 3.08Å; T801-C804 PolarHBondContact OG1-SG 2.91Å
802	S	67.2	Low	78.7	Confident	100 Å²	100	27.1 Å²	27.1	70%	0.699	15%	0.152	S	C	*	.	S	Bend	trans	-66.2	-22.2	172	49.1	0	0	0	0	113.7	Q754	Q754-S802 PolarHBondContact NE2-O 2.63Å
803	K	64.5	Low	78.6	Confident	124 Å²	124	25.5 Å²	25.5	54%	0.539	14%	0.144	S	C	.	.	S	Bend	trans	-101.8	-29.1	-176.7	-69.1	-171.5	174.7	-171.3	0	114.7	T801	T801-K803 PolarHBondContact O-N 2.8Å; T801-K803 PolarHBondContact OG1-N 3.23Å
804	C	70.3	Confident	78.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.014	17%	0.169	C	C	.	.			trans	-153.3	148	-172.7	63	0	0	0	0	112.3	L750 T751 T801	L750-C804 HydrophobicContact CD1-CB 3.83Å; T751-C804 CarbonylContact O-C 3.49Å; T751-C804 VanDerWaalsContact O-CA 3.28Å; T751-C804 WeakPolarHBondContact O-CA 3.44Å; T801-C804 PolarHBondContact N-O 3.22Å; T801-C804 PolarHBondContact OG1-N 3.04Å; T801-C804 PolarHBondContact OG1-O 3.47Å; T801-C804 VanDerWaalsContact OG1-O 3.08Å; T801-C804 PolarHBondContact OG1-SG 2.91Å
805	A	76.9	Confident	78.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.4	163.9	0	0	0	0	0	110.1	T751 K753 H756	T751-A805 PolarHBondContact N-O 2.92Å; T751-A805 PolarHBondContact O-N 2.9Å; T751-A805 PolarHBondContact OG1-O 3.14Å; K753-A805 VanDerWaalsContact O-CB 3.23Å; K753-A805 WeakPolarHBondContact O-CB 3.24Å; H756-A805 HydrophobicContact CB-CB 4.15Å
806	Y	83.3	Confident	78.9	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.4	-171.8	173.4	-107.2	0	0	0	111.4	E680 L684 S748 Y749 L750 A798 K799 H808	E680-Y806 HydrophobicContact CG-CE2 4.33Å; E680-Y806 WeakPolarHBondContact CG-OH 3.49Å; E680-Y806 PolarHBondContact OE1-OH 3.07Å; E680-Y806 VanDerWaalsContact OE1-OH 3.12Å; E680-Y806 PolarHBondContact OE2-OH 3.35Å; L684-Y806 HydrophobicContact CD1-CD1 4.04Å; L684-Y806 HydrophobicContact CD1-CD2 4.26Å; L684-Y806 HydrophobicContact CD1-CE1 4.08Å; L684-Y806 HydrophobicContact CD1-CE2 4.28Å; L684-Y806 HydrophobicContact CD1-CG 4.13Å; L684-Y806 HydrophobicContact CD2-CD1 4.29Å; L684-Y806 HydrophobicContact CD2-CD2 3.71Å; L684-Y806 HydrophobicContact CD2-CE2 4.42Å; L684-Y806 HydrophobicContact CD2-CG 3.61Å; L684-Y806 HydrophobicContact CG-CD2 4.26Å; L684-Y806 HydrophobicContact CG-CG 4.38Å; S748-Y806 WeakPolarHBondContact CB-OH 3.12Å; Y749-Y806 WeakPolarHBondContact O-CA 3.39Å; Y749-Y806 WeakPolarHBondContact O-CD2 3.4Å; L750-Y806 HydrophobicContact CB-CD2 4.49Å; L750-Y806 HydrophobicContact CD1-CD2 4.24Å; A798-Y806 VanDerWaalsContact CA-O 3.23Å; A798-Y806 WeakPolarHBondContact CA-O 3.49Å; A798-Y806 WeakPolarHBondContact CB-O 3.27Å; K799-Y806 HydrophobicContact CB-CD1 3.94Å; K799-Y806 PolarHBondContact N-O 3.34Å; K799-Y806 WeakPolarHBondContact O-CA 3.43Å; K799-Y806 WeakPolarHBondContact O-CB 3.45Å; K799-Y806 PolarHBondContact O-N 2.77Å; Y806-H808 HydrophobicContact CE1-CB 3.91Å; Y806-H808 WeakPolarHBondContact OH-CB 3.45Å; Y806-H808 PolarHBondContact OH-CD2 2.91Å
807	H	83.7	Confident	79	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	111.2	178.7	177.6	-117	0	0	0	111.2	Y749 L762 A797 F809	Y749-H807 AromaticContact CD2-CE1 3.7Å; Y749-H807 PolarHBondContact N-O 3.12Å; Y749-H807 PolarHBondContact O-N 2.85Å; L762-H807 WeakPolarHBondContact CD2-NE2 3.17Å; L762-H807 WeakPolarHBondContact CG-NE2 3.5Å; A797-H807 PolarHBondContact O-CD2 2.85Å; H807-F809 AromaticContact CE1-CD1 3.67Å; H807-F809 AromaticContact ND1-CD1 3.87Å; H807-F809 AromaticContact NE2-CD1 2.86Å; H807-F809 WeakPolarHBondContact NE2-CD1 3.32Å; H807-F809 AromaticContact NE2-CE1 3.58Å; H807-F809 AromaticContact NE2-CG 3.55Å
808	H	85.8	Confident	79.2	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.6	170.7	-172.8	-73.2	0	0	0	109.7	E680 W698 F747 T796 A797 Y806	E680-H808 IonicContact OE2-CD2 2.9Å; E680-H808 PolarHBondContact OE2-CD2 3.39Å; W698-H808 AromaticContact CE2-NE2 3.81Å; W698-H808 AromaticContact CZ2-NE2 3.38Å; W698-H808 WeakPolarHBondContact CZ2-NE2 3.46Å; W698-H808 AromaticContact NE1-NE2 3.79Å; F747-H808 CarbonylContact O-C 3.6Å; F747-H808 WeakPolarHBondContact O-CA 3.47Å; T796-H808 CarbonylContact C-O 3.58Å; T796-H808 WeakPolarHBondContact CA-O 3.23Å; A797-H808 HydrophobicContact CB-CB 4.42Å; A797-H808 PolarHBondContact N-O 2.86Å; A797-H808 PolarHBondContact O-N 3.19Å; Y806-H808 HydrophobicContact CE1-CB 3.91Å; Y806-H808 WeakPolarHBondContact OH-CB 3.45Å; Y806-H808 PolarHBondContact OH-CD2 2.91Å
809	F	85.7	Confident	79.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.4	159.5	72	-92.7	0	0	0	112.4	F747 Y749 L762 V765 G795 T796 H807 L811	F747-F809 HydrophobicContact CB-CD1 4.25Å; F747-F809 HydrophobicContact CB-CE1 3.89Å; F747-F809 HydrophobicContact CB-CE2 4.16Å; F747-F809 HydrophobicContact CB-CZ 3.81Å; F747-F809 HydrophobicContact CD2-CD2 4.02Å; F747-F809 AromaticContact CD2-CE2 3.37Å; F747-F809 HydrophobicContact CD2-CE2 3.37Å; F747-F809 AromaticContact CD2-CZ 3.71Å; F747-F809 HydrophobicContact CD2-CZ 3.71Å; F747-F809 HydrophobicContact CE2-CE2 4.02Å; F747-F809 HydrophobicContact CE2-CZ 4.48Å; F747-F809 HydrophobicContact CG-CE1 4.49Å; F747-F809 HydrophobicContact CG-CE2 4.05Å; F747-F809 AromaticContact CG-CZ 3.92Å; F747-F809 HydrophobicContact CG-CZ 3.92Å; F747-F809 PolarHBondContact N-O 2.96Å; F747-F809 PolarHBondContact O-N 3.02Å; Y749-F809 HydrophobicContact CD2-CD1 4.42Å; Y749-F809 AromaticContact CD2-CE1 3.94Å; Y749-F809 HydrophobicContact CD2-CE1 3.94Å; Y749-F809 HydrophobicContact CE2-CD1 4.33Å; Y749-F809 AromaticContact CE2-CE1 3.45Å; Y749-F809 HydrophobicContact CE2-CE1 3.45Å; Y749-F809 VanDerWaalsContact CE2-CE1 3.45Å; Y749-F809 HydrophobicContact CE2-CZ 4.11Å; L762-F809 HydrophobicContact CD2-CB 4.37Å; L762-F809 HydrophobicContact CD2-CD1 3.79Å; L762-F809 HydrophobicContact CD2-CD2 4.1Å; L762-F809 HydrophobicContact CD2-CE1 3.93Å; L762-F809 HydrophobicContact CD2-CE2 4.29Å; L762-F809 HydrophobicContact CD2-CG 3.84Å; L762-F809 HydrophobicContact CD2-CZ 4.2Å; V765-F809 HydrophobicContact CB-CZ 3.99Å; V765-F809 HydrophobicContact CG1-CE2 4.09Å; V765-F809 HydrophobicContact CG1-CZ 3.98Å; V765-F809 HydrophobicContact CG2-CE1 4.48Å; V765-F809 HydrophobicContact CG2-CZ 3.67Å; G795-F809 CarbonylContact O-C 3.52Å; G795-F809 WeakPolarHBondContact O-CA 3.28Å; G795-F809 VanDerWaalsContact O-CB 3.24Å; G795-F809 WeakPolarHBondContact O-CB 3.28Å; T796-F809 HydrophobicContact CG2-CB 3.94Å; H807-F809 AromaticContact CE1-CD1 3.67Å; H807-F809 AromaticContact ND1-CD1 3.87Å; H807-F809 AromaticContact NE2-CD1 2.86Å; H807-F809 WeakPolarHBondContact NE2-CD1 3.32Å; H807-F809 AromaticContact NE2-CE1 3.58Å; H807-F809 AromaticContact NE2-CG 3.55Å; F809-L811 HydrophobicContact CE2-CB 4.5Å
810	T	86.3	Confident	79.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149	168.7	60.8	0	0	0	0	109.2	V738 H740 F745 N746 S794 G795	V738-T810 HydrophobicContact CG1-CG2 3.69Å; H740-T810 VanDerWaalsContact CE1-CG2 3.4Å; H740-T810 WeakPolarHBondContact CE1-CG2 3.14Å; F745-T810 CarbonylContact O-C 3.55Å; F745-T810 VanDerWaalsContact O-CA 3.27Å; F745-T810 WeakPolarHBondContact O-CA 3.45Å; N746-T810 VanDerWaalsContact OD1-CG2 3.26Å; N746-T810 WeakPolarHBondContact OD1-CG2 3.48Å; S794-T810 CarbonylContact C-O 3.56Å; S794-T810 WeakPolarHBondContact CA-O 3.34Å; S794-T810 WeakPolarHBondContact CB-O 3.49Å; G795-T810 VanDerWaalsContact CA-OG1 3.31Å; G795-T810 WeakPolarHBondContact CA-OG1 3.46Å; G795-T810 PolarHBondContact N-O 3.16Å; G795-T810 VanDerWaalsContact N-O 3.13Å; G795-T810 PolarHBondContact N-OG1 3.12Å; G795-T810 VanDerWaalsContact N-OG1 3.07Å; G795-T810 PolarHBondContact O-N 3.13Å
811	L	88.1	Confident	80.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.4	174.7	-170.3	163.3	0	0	0	108.4	F745 F747 V765 V769 F809 F813 L847	F745-L811 HydrophobicContact CD2-CD2 4.41Å; F745-L811 PolarHBondContact N-O 3.33Å; F745-L811 PolarHBondContact O-N 3.25Å; F747-L811 HydrophobicContact CE2-CB 4.09Å; F747-L811 HydrophobicContact CE2-CD1 4.43Å; V765-L811 HydrophobicContact CG1-CD1 3.82Å; V769-L811 HydrophobicContact CG2-CD1 4.19Å; F809-L811 HydrophobicContact CE2-CB 4.5Å; L811-F813 HydrophobicContact CD2-CB 4.41Å; L811-F813 HydrophobicContact CD2-CD2 4.18Å; L811-F813 PolarHBondContact O-N 3.4Å; L811-L847 HydrophobicContact CD2-CD1 3.89Å; L811-L847 HydrophobicContact CD2-CG 4.49Å
812	M	86.9	Confident	80.7	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.069	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	94.5	-173.7	-65.9	-175.5	-69.5	0	0	110	N744 K792 V793 V815 M820 V844 L847	N744-M812 VanDerWaalsContact OD1-CG 3.32Å; N744-M812 WeakPolarHBondContact OD1-CG 3.3Å; K792-M812 WeakPolarHBondContact O-CE 3.21Å; V793-M812 VanDerWaalsContact C-CE 3.47Å; V793-M812 HydrophobicContact CG1-CB 4.4Å; V793-M812 WeakPolarHBondContact CG1-O 3.4Å; V793-M812 WeakPolarHBondContact O-CB 3.43Å; V793-M812 PolarHBondContact O-N 2.86Å; M812-V815 HydrophobicContact CB-CG2 3.76Å; M812-V815 HydrophobicContact CG-CG2 4.09Å; M812-M820 HydrophobicContact SD-SD 4.22Å; M812-V844 HydrophobicContact CE-CB 4.42Å; M812-V844 HydrophobicContact CE-CG1 3.45Å; M812-V844 VanDerWaalsContact CE-CG1 3.45Å; M812-V844 HydrophobicContact CE-CG2 4.1Å; M812-V844 HydrophobicContact SD-CG1 3.81Å; M812-L847 PolarHBondContact O-N 3.49Å
813	F	82.7	Confident	81.4	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-59.7	-173.3	-160.3	-112.9	0	0	0	112	G743 F745 L811 L847 C848 L854 E856 I859	G743-F813 WeakPolarHBondContact O-CA 3.47Å; G743-F813 VanDerWaalsContact O-CB 3.23Å; G743-F813 WeakPolarHBondContact O-CB 3.48Å; G743-F813 PolarHBondContact O-N 2.86Å; G743-F813 VanDerWaalsContact O-N 3.12Å; F745-F813 HydrophobicContact CD2-CB 3.91Å; F745-F813 HydrophobicContact CD2-CD2 4.38Å; F745-F813 HydrophobicContact CD2-CG 4.18Å; F745-F813 HydrophobicContact CE2-CB 3.64Å; F745-F813 AromaticContact CE2-CD1 3.82Å; F745-F813 HydrophobicContact CE2-CD1 3.82Å; F745-F813 AromaticContact CE2-CD2 3.7Å; F745-F813 HydrophobicContact CE2-CD2 3.7Å; F745-F813 HydrophobicContact CE2-CE1 4.32Å; F745-F813 HydrophobicContact CE2-CE2 4.24Å; F745-F813 AromaticContact CE2-CG 3.45Å; F745-F813 HydrophobicContact CE2-CG 3.45Å; F745-F813 VanDerWaalsContact CE2-CG 3.45Å; F745-F813 HydrophobicContact CE2-CZ 4.49Å; F745-F813 HydrophobicContact CZ-CD1 4.21Å; F745-F813 HydrophobicContact CZ-CG 4.28Å; L811-F813 HydrophobicContact CD2-CB 4.41Å; L811-F813 HydrophobicContact CD2-CD2 4.18Å; L811-F813 PolarHBondContact O-N 3.4Å; F813-L847 HydrophobicContact CD2-CB 4.07Å; F813-L847 HydrophobicContact CD2-CD1 3.92Å; F813-L847 HydrophobicContact CD2-CG 4.41Å; F813-L847 HydrophobicContact CE2-CB 4.33Å; F813-L847 HydrophobicContact CE2-CD1 4.11Å; F813-L847 PolarHBondContact O-N 3.04Å; F813-L847 VanDerWaalsContact O-N 3.13Å; F813-C848 PolarHBondContact O-N 2.69Å; F813-C848 PolarHBondContact O-SG 2.85Å; F813-C848 VanDerWaalsContact O-SG 3.36Å; F813-L854 HydrophobicContact CE1-CB 3.78Å; F813-L854 HydrophobicContact CE1-CD1 4.41Å; F813-L854 HydrophobicContact CE2-CB 4.45Å; F813-L854 HydrophobicContact CE2-CD1 3.97Å; F813-L854 HydrophobicContact CE2-CD2 4.28Å; F813-L854 HydrophobicContact CE2-CG 4.48Å; F813-L854 HydrophobicContact CZ-CB 3.54Å; F813-L854 HydrophobicContact CZ-CD1 3.87Å; F813-L854 HydrophobicContact CZ-CD2 3.99Å; F813-L854 HydrophobicContact CZ-CG 4.01Å; F813-E856 HydrophobicContact CD1-CG 3.82Å; F813-E856 HydrophobicContact CE1-CG 3.64Å; F813-I859 HydrophobicContact CD2-CD1 4.38Å; F813-I859 HydrophobicContact CE2-CD1 3.24Å; F813-I859 HydrophobicContact CZ-CD1 3.36Å
814	N	83.1	Confident	81.9	Confident	99 Å²	99	34.7 Å²	34.7	53%	0.529	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	84.9	179.4	-172.1	24	0	0	0	108.7	G743 C848	G743-N814 CarbonylContact C-O 3.59Å; G743-N814 WeakPolarHBondContact CA-O 3.42Å; G743-N814 PolarHBondContact O-N 3.39Å; N814-C848 HydrophobicContact CB-CB 4.43Å
815	V	82.6	Confident	81.8	Confident	8 Å²	8	40.9 Å²	40.9	5%	0.048	19%	0.192	C	C	.	.			trans	-118.2	133.7	-169.7	-175.4	0	0	0	0	108.9	Y739 D741 N744 M812 L817	Y739-V815 HydrophobicContact CD1-CG1 3.98Å; Y739-V815 HydrophobicContact CE1-CG1 3.8Å; D741-V815 HydrophobicContact CB-CG1 4.17Å; N744-V815 VanDerWaalsContact ND2-CG2 3.34Å; N744-V815 WeakPolarHBondContact ND2-CG2 3.2Å; M812-V815 HydrophobicContact CB-CG2 3.76Å; M812-V815 HydrophobicContact CG-CG2 4.09Å; V815-L817 VanDerWaalsContact C-N 3.29Å; V815-L817 HydrophobicContact CB-CD2 4.37Å; V815-L817 PolarHBondContact O-N 2.79Å
816	D	83	Confident	80.9	Confident	70 Å²	70	42.4 Å²	42.4	37%	0.374	20%	0.202	S	C	.	.			trans	-66.1	88.4	172.3	-95.2	5.3	0	0	0	109.4	S818 R819 M820	D816-S818 PolarHBondContact O-N 3.03Å; D816-R819 HydrophobicContact CB-CB 3.52Å; D816-R819 PolarHBondContact O-N 2.86Å; D816-R819 IonicContact OD2-CZ 3.58Å; D816-R819 IonicContact OD2-NE 2.79Å; D816-R819 PolarHBondContact OD2-NE 3.02Å; D816-R819 IonicContact OD2-NH2 2.72Å; D816-R819 PolarHBondContact OD2-NH2 3.35Å; D816-M820 WeakPolarHBondContact O-CB 3.5Å; D816-M820 PolarHBondContact O-N 3.19Å
817	L	80.1	Confident	79.5	Confident	46 Å²	46	46 Å²	46	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-33.3	-177.4	-60.8	-175.5	0	0	0	112.1	V815 M820 E821 V844	V815-L817 VanDerWaalsContact C-N 3.29Å; V815-L817 HydrophobicContact CB-CD2 4.37Å; V815-L817 PolarHBondContact O-N 2.79Å; L817-M820 HydrophobicContact CD2-CE 3.87Å; L817-E821 WeakPolarHBondContact O-CB 3.35Å; L817-E821 PolarHBondContact O-N 2.99Å; L817-V844 HydrophobicContact CD2-CG1 3.74Å
818	S	82	Confident	77.8	Confident	87 Å²	87	51.7 Å²	51.7	61%	0.608	26%	0.256	S	S	*	.	H	α-helix	trans	-67.8	-36.5	174.4	57.7	0	0	0	0	113	D816 R822	D816-S818 PolarHBondContact O-N 3.03Å; S818-R822 VanDerWaalsContact O-CB 3.23Å; S818-R822 WeakPolarHBondContact O-CB 3.4Å; S818-R822 PolarHBondContact O-N 2.72Å; S818-R822 VanDerWaalsContact O-N 3.08Å
819	R	82.7	Confident	75.9	Confident	90 Å²	90	59.2 Å²	59.2	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-72.7	-49.2	175.2	-164.3	-174.9	-53.9	-167.7	4.8	110	I726 Y739 D816 E821 R822 V823	I726-R819 HydrophobicContact CD1-CG 4.1Å; Y739-R819 WeakPolarHBondContact OH-CD 3.11Å; D816-R819 HydrophobicContact CB-CB 3.52Å; D816-R819 PolarHBondContact O-N 2.86Å; D816-R819 IonicContact OD2-CZ 3.58Å; D816-R819 IonicContact OD2-NE 2.79Å; D816-R819 PolarHBondContact OD2-NE 3.02Å; D816-R819 IonicContact OD2-NH2 2.72Å; D816-R819 PolarHBondContact OD2-NH2 3.35Å; R819-E821 PolarHBondContact O-N 2.93Å; R819-R822 PolarHBondContact O-N 3.35Å; R819-V823 VanDerWaalsContact O-CG2 3.26Å; R819-V823 WeakPolarHBondContact O-CG2 3.28Å; R819-V823 PolarHBondContact O-N 3.5Å
820	M	82	Confident	74.1	Confident	22 Å²	22	66.3 Å²	66.3	11%	0.108	32%	0.323	C	S	.	.	H	α-helix	trans	-52	-51.9	173.8	179.4	-170.4	71.6	0	0	111.5	Y739 M812 D816 L817 R822 V823 L824 V844	Y739-M820 HydrophobicContact CD1-CB 3.53Å; Y739-M820 HydrophobicContact CD1-CG 3.57Å; Y739-M820 HydrophobicContact CD1-SD 4.36Å; Y739-M820 HydrophobicContact CE1-CB 3.75Å; Y739-M820 HydrophobicContact CE1-CG 4.31Å; Y739-M820 HydrophobicContact CG-CB 4.06Å; Y739-M820 HydrophobicContact CG-CG 3.8Å; M812-M820 HydrophobicContact SD-SD 4.22Å; D816-M820 WeakPolarHBondContact O-CB 3.5Å; D816-M820 PolarHBondContact O-N 3.19Å; L817-M820 HydrophobicContact CD2-CE 3.87Å; M820-R822 PolarHBondContact O-N 2.87Å; M820-V823 PolarHBondContact O-N 2.53Å; M820-L824 HydrophobicContact CG-CD1 3.82Å; M820-L824 HydrophobicContact CG-CG 4.48Å; M820-L824 WeakPolarHBondContact O-CB 3.34Å; M820-L824 WeakPolarHBondContact O-CG 3.39Å; M820-L824 PolarHBondContact O-N 2.74Å; M820-V844 HydrophobicContact CE-CB 4.05Å; M820-V844 HydrophobicContact CE-CG1 3.89Å; M820-V844 HydrophobicContact CE-CG2 4.31Å; M820-V844 HydrophobicContact SD-CG1 4.46Å
821	E	78.3	Confident	72.2	Confident	97 Å²	97	67.3 Å²	67.3	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-42.4	179.5	-179.4	175.1	-148.1	0	0	111.4	L817 R819 V823 R825	L817-E821 WeakPolarHBondContact O-CB 3.35Å; L817-E821 PolarHBondContact O-N 2.99Å; R819-E821 PolarHBondContact O-N 2.93Å; E821-V823 PolarHBondContact O-N 3Å; E821-R825 HydrophobicContact CG-CG 4.27Å; E821-R825 VanDerWaalsContact CG-NE 3.32Å; E821-R825 WeakPolarHBondContact O-CB 3.37Å; E821-R825 WeakPolarHBondContact O-CD 3.36Å; E821-R825 WeakPolarHBondContact O-CG 3.35Å; E821-R825 PolarHBondContact O-N 3.31Å; E821-R825 IonicContact OE1-CZ 3.35Å; E821-R825 VanDerWaalsContact OE1-CZ 3.31Å; E821-R825 IonicContact OE1-NE 2.89Å; E821-R825 PolarHBondContact OE1-NE 2.76Å; E821-R825 IonicContact OE1-NH2 3.19Å; E821-R825 PolarHBondContact OE1-NH2 2.74Å; E821-R825 IonicContact OE2-CZ 2.61Å; E821-R825 IonicContact OE2-NH2 3.82Å; E821-R825 PolarHBondContact OE2-NH2 2.92Å
822	R	79.6	Confident	70.4	Confident	159 Å²	159	67.9 Å²	67.9	60%	0.6	34%	0.337	S	S	*	.	H	α-helix	trans	-68.2	-32.7	179.2	-171	170.5	179.2	173.2	0.9	113.3	F720 S818 R819 M820	F720-R822 HydrophobicContact CD1-CB 4.41Å; F720-R822 HydrophobicContact CD1-CG 3.9Å; F720-R822 HydrophobicContact CD2-CG 4.4Å; F720-R822 HydrophobicContact CE1-CB 3.97Å; F720-R822 HydrophobicContact CE1-CG 3.7Å; F720-R822 HydrophobicContact CE2-CG 4.24Å; F720-R822 HydrophobicContact CG-CG 4.26Å; F720-R822 HydrophobicContact CZ-CB 4.4Å; F720-R822 HydrophobicContact CZ-CG 3.9Å; S818-R822 VanDerWaalsContact O-CB 3.23Å; S818-R822 WeakPolarHBondContact O-CB 3.4Å; S818-R822 PolarHBondContact O-N 2.72Å; S818-R822 VanDerWaalsContact O-N 3.08Å; R819-R822 PolarHBondContact O-N 3.35Å; M820-R822 PolarHBondContact O-N 2.87Å
823	V	80.9	Confident	68.6	Low	0 Å²	0	71 Å²	71	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-72.9	-47.5	174.4	174.6	0	0	0	0	111.4	V704 A716 D717 F720 I726 Y739 R819 M820 E821 R825	V704-V823 HydrophobicContact CG2-CG1 3.32Å; A716-V823 CarbonylContact C-O 3.58Å; A716-V823 WeakPolarHBondContact CA-O 2.85Å; A716-V823 HydrophobicContact CB-CG1 4.15Å; D717-V823 PolarHBondContact N-O 3.14Å; F720-V823 HydrophobicContact CD1-CG2 3.73Å; F720-V823 HydrophobicContact CE1-CG2 3.7Å; I726-V823 HydrophobicContact CD1-CG2 3.44Å; I726-V823 VanDerWaalsContact CD1-CG2 3.44Å; Y739-V823 HydrophobicContact CD2-CG1 4.49Å; Y739-V823 HydrophobicContact CE2-CG2 4.31Å; R819-V823 VanDerWaalsContact O-CG2 3.26Å; R819-V823 WeakPolarHBondContact O-CG2 3.28Å; R819-V823 PolarHBondContact O-N 3.5Å; M820-V823 PolarHBondContact O-N 2.53Å; E821-V823 PolarHBondContact O-N 3Å; V823-R825 VanDerWaalsContact C-N 3.34Å
824	L	75.7	Confident	67.1	Low	16 Å²	16	71.8 Å²	71.8	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-80.1	-13	-173.9	-64.8	-179.8	0	0	0	113.7	V704 M820 P826 V840	V704-L824 HydrophobicContact CG1-CD2 4.38Å; M820-L824 HydrophobicContact CG-CD1 3.82Å; M820-L824 HydrophobicContact CG-CG 4.48Å; M820-L824 WeakPolarHBondContact O-CB 3.34Å; M820-L824 WeakPolarHBondContact O-CG 3.39Å; M820-L824 PolarHBondContact O-N 2.74Å; L824-P826 WeakPolarHBondContact O-CD 3.11Å; L824-V840 HydrophobicContact CB-CG1 3.84Å; L824-V840 HydrophobicContact CB-CG2 3.9Å; L824-V840 HydrophobicContact CD1-CG2 4.42Å; L824-V840 WeakPolarHBondContact O-CG1 3.13Å
825	R	67.9	Low	65.6	Low	131 Å²	131	74.5 Å²	74.5	49%	0.494	37%	0.372	S	S	.	.	S	Bend	trans	-70.6	117.9	164.4	-79.5	169.9	178.7	-159.7	8.2	109	E821 V823	E821-R825 HydrophobicContact CG-CG 4.27Å; E821-R825 VanDerWaalsContact CG-NE 3.32Å; E821-R825 WeakPolarHBondContact O-CB 3.37Å; E821-R825 WeakPolarHBondContact O-CD 3.36Å; E821-R825 WeakPolarHBondContact O-CG 3.35Å; E821-R825 PolarHBondContact O-N 3.31Å; E821-R825 IonicContact OE1-CZ 3.35Å; E821-R825 VanDerWaalsContact OE1-CZ 3.31Å; E821-R825 IonicContact OE1-NE 2.89Å; E821-R825 PolarHBondContact OE1-NE 2.76Å; E821-R825 IonicContact OE1-NH2 3.19Å; E821-R825 PolarHBondContact OE1-NH2 2.74Å; E821-R825 IonicContact OE2-CZ 2.61Å; E821-R825 IonicContact OE2-NH2 3.82Å; E821-R825 PolarHBondContact OE2-NH2 2.92Å; V823-R825 VanDerWaalsContact C-N 3.34Å
826	P	58.6	Low	64	Low	33 Å²	33	74.3 Å²	74.3	21%	0.214	37%	0.371	C	S	.	.			trans	-66.5	147	173.8	28.2	-34.5	0	0	0	110.9	L824 M828	L824-P826 WeakPolarHBondContact O-CD 3.11Å; P826-M828 PolarHBondContact O-N 3.01Å
827	S	52.7	Low	62.3	Low	83 Å²	83	72 Å²	72	58%	0.58	36%	0.359	S	S	*	.	S	Bend	trans	-62	-28	174.6	51.8	0	0	0	0	112.7	Q829	S827-Q829 PolarHBondContact O-N 2.91Å
828	M	49.4	Very low	61.2	Low	122 Å²	122	73.5 Å²	73.5	60%	0.601	37%	0.374	S	S	*	.			trans	-84.2	93.2	166	-69.8	-170.7	177.3	0	0	111.6	P826 F830 V832	P826-M828 PolarHBondContact O-N 3.01Å; M828-F830 VanDerWaalsContact C-N 3.32Å; M828-V832 HydrophobicContact CB-CG2 4.38Å; M828-V832 HydrophobicContact SD-CG2 4.37Å
829	Q	46.3	Very low	59.8	Low	161 Å²	161	71.8 Å²	71.8	75%	0.752	36%	0.362	S	S	*	.			trans	-71.9	-25.3	172	-63	-175.3	8.2	0	0	113.3	S827 G831	S827-Q829 PolarHBondContact O-N 2.91Å; Q829-G831 PolarHBondContact O-N 3.04Å
830	F	46.3	Very low	58.4	Low	148 Å²	148	69.6 Å²	69.6	65%	0.649	36%	0.359	S	S	*	.	S	Bend	trans	-87.5	99.1	-171.3	-77.1	-80.2	0	0	0	113.2	M828 V832 P915	M828-F830 VanDerWaalsContact C-N 3.32Å; F830-V832 PolarHBondContact O-N 3.11Å; F830-P915 HydrophobicContact CD1-CB 4.09Å; F830-P915 HydrophobicContact CD1-CG 4.39Å; F830-P915 HydrophobicContact CE1-CB 4.19Å
831	G	48	Very low	57.1	Low	23 Å²	23	76.2 Å²	76.2	24%	0.237	38%	0.382	C	S	.	.	S	Bend	trans	81	5.6	154.7	0	0	0	0	0	117.1	Q829 K913	Q829-G831 PolarHBondContact O-N 3.04Å; G831-K913 PolarHBondContact O-N 2.98Å
832	V	50	Low	56.5	Low	15 Å²	15	73.5 Å²	73.5	9%	0.091	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-92	127.2	175.1	-173.5	0	0	0	0	110.8	T714 M828 F830 F910 H911 I912	T714-V832 HydrophobicContact CG2-CG1 3.72Å; M828-V832 HydrophobicContact CB-CG2 4.38Å; M828-V832 HydrophobicContact SD-CG2 4.37Å; F830-V832 PolarHBondContact O-N 3.11Å; V832-F910 HydrophobicContact CG1-CB 4.27Å; V832-H911 VanDerWaalsContact CA-O 3.31Å; V832-H911 WeakPolarHBondContact CA-O 3.42Å; V832-I912 HydrophobicContact CG2-CG1 4.19Å
833	E	47.8	Very low	56.1	Low	78 Å²	78	69.1 Å²	69.1	36%	0.364	37%	0.368	S	S	.	.			trans	-131.5	122.5	177	-60.3	-166	106.3	0	0	111	R841 K913	E833-R841 IonicContact OE1-CZ 3.81Å; E833-R841 IonicContact OE1-NH1 3.29Å; E833-R841 PolarHBondContact OE1-NH1 3.29Å; E833-R841 IonicContact OE1-NH2 2.87Å; E833-R841 PolarHBondContact OE1-NH2 3.07Å; E833-K913 IonicContact OE2-NZ 3.16Å; E833-K913 PolarHBondContact OE2-NZ 3.49Å
834	S	51.4	Low	55.9	Low	20 Å²	20	70.7 Å²	70.7	14%	0.14	38%	0.377	C	S	.	.			trans	-116.6	167.7	173.5	68.5	0	0	0	0	110.9	E715 A836 T837	E715-S834 WeakPolarHBondContact OE1-CB 2.86Å; E715-S834 PolarHBondContact OE1-OG 3.34Å; E715-S834 PolarHBondContact OE2-OG 2.8Å; S834-A836 VanDerWaalsContact C-N 3.29Å; S834-A836 PolarHBondContact O-N 3.13Å; S834-T837 WeakPolarHBondContact O-CB 3.16Å; S834-T837 PolarHBondContact O-N 3.36Å; S834-T837 VanDerWaalsContact O-N 3.12Å; S834-T837 PolarHBondContact O-OG1 3.2Å
835	N	51.6	Low	56.2	Low	156 Å²	156	71.8 Å²	71.8	83%	0.834	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.6	-174.8	-83.4	-19.2	0	0	0	114.4	S838	N835-S838 PolarHBondContact O-OG 3.23Å
836	A	49.8	Very low	56.9	Low	4 Å²	4	65.6 Å²	65.6	3%	0.033	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.4	179.1	0	0	0	0	0	115.2	E715 T737 S834 S838 S839 V840	E715-A836 PolarHBondContact OE1-N 3.43Å; E715-A836 WeakPolarHBondContact OE2-CB 3.47Å; T737-A836 WeakPolarHBondContact OG1-CB 3.46Å; S834-A836 VanDerWaalsContact C-N 3.29Å; S834-A836 PolarHBondContact O-N 3.13Å; A836-S838 PolarHBondContact O-N 3.3Å; A836-S838 VanDerWaalsContact O-N 3.11Å; A836-S839 WeakPolarHBondContact O-CA 3.5Å; A836-S839 WeakPolarHBondContact O-CB 3.3Å; A836-S839 PolarHBondContact O-N 3.15Å; A836-V840 PolarHBondContact O-N 3.32Å
837	T	48.1	Very low	57.9	Low	20 Å²	20	64 Å²	64	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-53.6	-30.8	160.4	59	0	0	0	0	111.6	S834 S839 R841	S834-T837 WeakPolarHBondContact O-CB 3.16Å; S834-T837 PolarHBondContact O-N 3.36Å; S834-T837 VanDerWaalsContact O-N 3.12Å; S834-T837 PolarHBondContact O-OG1 3.2Å; T837-S839 VanDerWaalsContact C-N 3.28Å; T837-S839 PolarHBondContact O-N 2.77Å; T837-R841 VanDerWaalsContact O-CB 3.23Å; T837-R841 WeakPolarHBondContact O-CB 3.01Å; T837-R841 WeakPolarHBondContact O-CD 3.39Å; T837-R841 WeakPolarHBondContact O-CG 3.16Å; T837-R841 PolarHBondContact O-N 2.81Å
838	S	55.4	Low	59.1	Low	79 Å²	79	61.4 Å²	61.4	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-67.6	-21.6	172.9	69.2	0	0	0	0	114.8	N835 A836	N835-S838 PolarHBondContact O-OG 3.23Å; A836-S838 PolarHBondContact O-N 3.3Å; A836-S838 VanDerWaalsContact O-N 3.11Å
839	S	54.1	Low	60.3	Low	50 Å²	50	60 Å²	60	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-89.2	-43.4	174.8	-60.1	0	0	0	0	111	A836 T837 R841 S842	A836-S839 WeakPolarHBondContact O-CA 3.5Å; A836-S839 WeakPolarHBondContact O-CB 3.3Å; A836-S839 PolarHBondContact O-N 3.15Å; T837-S839 VanDerWaalsContact C-N 3.28Å; T837-S839 PolarHBondContact O-N 2.77Å; S839-R841 VanDerWaalsContact C-N 3.28Å; S839-R841 PolarHBondContact O-N 2.89Å; S839-S842 WeakPolarHBondContact O-CB 3.34Å; S839-S842 PolarHBondContact O-N 2.88Å; S839-S842 VanDerWaalsContact O-N 3.08Å; S839-S842 PolarHBondContact O-OG 3.38Å
840	V	52	Low	61.6	Low	45 Å²	45	55.7 Å²	55.7	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-38.1	174	180	0	0	0	0	111.5	L824 A836 S842	L824-V840 HydrophobicContact CB-CG1 3.84Å; L824-V840 HydrophobicContact CB-CG2 3.9Å; L824-V840 HydrophobicContact CD1-CG2 4.42Å; L824-V840 WeakPolarHBondContact O-CG1 3.13Å; A836-V840 PolarHBondContact O-N 3.32Å; V840-S842 PolarHBondContact O-N 2.77Å
841	R	56.3	Low	62.8	Low	160 Å²	160	49.8 Å²	49.8	60%	0.604	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	5.5	176.3	-66	168.6	-172.5	171.8	4	114.3	E833 T837 S839	E833-R841 IonicContact OE1-CZ 3.81Å; E833-R841 IonicContact OE1-NH1 3.29Å; E833-R841 PolarHBondContact OE1-NH1 3.29Å; E833-R841 IonicContact OE1-NH2 2.87Å; E833-R841 PolarHBondContact OE1-NH2 3.07Å; T837-R841 VanDerWaalsContact O-CB 3.23Å; T837-R841 WeakPolarHBondContact O-CB 3.01Å; T837-R841 WeakPolarHBondContact O-CD 3.39Å; T837-R841 WeakPolarHBondContact O-CG 3.16Å; T837-R841 PolarHBondContact O-N 2.81Å; S839-R841 VanDerWaalsContact C-N 3.28Å; S839-R841 PolarHBondContact O-N 2.89Å
842	S	65.1	Low	63.5	Low	40 Å²	40	60.6 Å²	60.6	28%	0.28	32%	0.321	S	S	.	.	S	Bend	trans	-86.9	142.4	179.3	71.3	0	0	0	0	111.9	S839 V840 V844	S839-S842 WeakPolarHBondContact O-CB 3.34Å; S839-S842 PolarHBondContact O-N 2.88Å; S839-S842 VanDerWaalsContact O-N 3.08Å; S839-S842 PolarHBondContact O-OG 3.38Å; V840-S842 PolarHBondContact O-N 2.77Å; S842-V844 PolarHBondContact O-N 2.86Å
843	S	70.4	Confident	64.4	Low	67 Å²	67	65.5 Å²	65.5	47%	0.469	36%	0.356	S	S	.	.			trans	-67.8	115.2	177.2	41.2	0	0	0	0	110.7	K790 Y791 K792	K790-S843 PolarHBondContact O-OG 3.01Å; K790-S843 VanDerWaalsContact O-OG 3.1Å; Y791-S843 CarbonylContact C-O 3.53Å; Y791-S843 WeakPolarHBondContact CA-O 3.29Å; K792-S843 PolarHBondContact N-O 3.21Å
844	V	77.2	Confident	65.6	Low	33 Å²	33	63.2 Å²	63.2	20%	0.2	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-109.9	149.2	179.8	171.2	0	0	0	0	110.5	K792 M812 L817 M820 S842	K792-V844 HydrophobicContact CB-CG2 4.42Å; K792-V844 WeakPolarHBondContact O-CA 3.37Å; M812-V844 HydrophobicContact CE-CB 4.42Å; M812-V844 HydrophobicContact CE-CG1 3.45Å; M812-V844 VanDerWaalsContact CE-CG1 3.45Å; M812-V844 HydrophobicContact CE-CG2 4.1Å; M812-V844 HydrophobicContact SD-CG1 3.81Å; L817-V844 HydrophobicContact CD2-CG1 3.74Å; M820-V844 HydrophobicContact CE-CB 4.05Å; M820-V844 HydrophobicContact CE-CG1 3.89Å; M820-V844 HydrophobicContact CE-CG2 4.31Å; M820-V844 HydrophobicContact SD-CG1 4.46Å; S842-V844 PolarHBondContact O-N 2.86Å
845	K	82.1	Confident	67	Low	39 Å²	39	65.5 Å²	65.5	17%	0.17	36%	0.357	C	S	.	.			trans	-134.1	155	162.8	-86.8	-180	177	175.4	0	108.3	L787 E788 Y791 D849	L787-K845 HydrophobicContact CD2-CB 3.91Å; L787-K845 HydrophobicContact CD2-CD 3.74Å; L787-K845 HydrophobicContact CD2-CG 4.5Å; E788-K845 IonicContact OE1-NZ 2.81Å; E788-K845 PolarHBondContact OE1-NZ 3.13Å; E788-K845 IonicContact OE2-NZ 3.83Å; E788-K845 PolarHBondContact OE2-NZ 3.49Å; Y791-K845 HydrophobicContact CD1-CB 4.42Å; Y791-K845 HydrophobicContact CD1-CD 3.96Å; Y791-K845 HydrophobicContact CD1-CG 3.65Å; Y791-K845 HydrophobicContact CD2-CD 3.65Å; Y791-K845 HydrophobicContact CD2-CG 4.26Å; Y791-K845 HydrophobicContact CE1-CD 4.39Å; Y791-K845 HydrophobicContact CE1-CG 4.25Å; Y791-K845 HydrophobicContact CE2-CD 4.13Å; Y791-K845 HydrophobicContact CG-CB 4.2Å; Y791-K845 HydrophobicContact CG-CD 3.57Å; Y791-K845 HydrophobicContact CG-CG 3.66Å; K845-D849 WeakPolarHBondContact CA-OD2 3.36Å
846	A	81.9	Confident	68.3	Low	1 Å²	1	61.1 Å²	61.1	1%	0.008	33%	0.331	C	S	.	.			trans	-90.7	156.8	162.3	0	0	0	0	0	109.8	C848 D849	A846-C848 VanDerWaalsContact C-N 3.28Å; A846-C848 PolarHBondContact O-N 3.46Å; A846-D849 PolarHBondContact N-OD2 2.66Å; A846-D849 WeakPolarHBondContact O-CB 3.21Å; A846-D849 PolarHBondContact O-N 3.49Å
847	L	80	Confident	69.9	Low	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-66.6	-30.7	176.3	-67	-172.6	0	0	0	112.7	V769 I775 L777 L787 V793 L811 M812 F813 D849 V850 A851 L854	V769-L847 HydrophobicContact CG1-CD1 3.84Å; I775-L847 HydrophobicContact CD1-CB 4.36Å; I775-L847 HydrophobicContact CD1-CD2 4.34Å; I775-L847 HydrophobicContact CG2-CD2 4.37Å; L777-L847 HydrophobicContact CD2-CD2 4.02Å; L787-L847 HydrophobicContact CD2-CD2 4.45Å; V793-L847 HydrophobicContact CG1-CD2 3.78Å; V793-L847 HydrophobicContact CG1-CG 3.85Å; V793-L847 HydrophobicContact CG2-CD2 4.47Å; L811-L847 HydrophobicContact CD2-CD1 3.89Å; L811-L847 HydrophobicContact CD2-CG 4.49Å; M812-L847 PolarHBondContact O-N 3.49Å; F813-L847 HydrophobicContact CD2-CB 4.07Å; F813-L847 HydrophobicContact CD2-CD1 3.92Å; F813-L847 HydrophobicContact CD2-CG 4.41Å; F813-L847 HydrophobicContact CE2-CB 4.33Å; F813-L847 HydrophobicContact CE2-CD1 4.11Å; F813-L847 PolarHBondContact O-N 3.04Å; F813-L847 VanDerWaalsContact O-N 3.13Å; L847-D849 PolarHBondContact O-N 3.49Å; L847-V850 PolarHBondContact O-N 2.84Å; L847-V850 VanDerWaalsContact O-N 3.12Å; L847-A851 PolarHBondContact O-N 2.95Å; L847-L854 HydrophobicContact CB-CD1 3.85Å
848	C	77.3	Confident	71.6	Confident	28 Å²	28	76.1 Å²	76.1	19%	0.189	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-62.7	-18.3	174	-70.2	0	0	0	0	114.5	F813 N814 A846 V850 A851	F813-C848 PolarHBondContact O-N 2.69Å; F813-C848 PolarHBondContact O-SG 2.85Å; F813-C848 VanDerWaalsContact O-SG 3.36Å; N814-C848 HydrophobicContact CB-CB 4.43Å; A846-C848 VanDerWaalsContact C-N 3.28Å; A846-C848 PolarHBondContact O-N 3.46Å; C848-V850 PolarHBondContact O-N 3.03Å; C848-A851 WeakPolarHBondContact CA-O 3.35Å
849	D	75.1	Confident	73	Confident	92 Å²	92	72.5 Å²	72.5	49%	0.492	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-67	-25.6	174.4	-61.2	-31.4	0	0	0	112.2	K845 A846 L847	K845-D849 WeakPolarHBondContact CA-OD2 3.36Å; A846-D849 PolarHBondContact N-OD2 2.66Å; A846-D849 WeakPolarHBondContact O-CB 3.21Å; A846-D849 PolarHBondContact O-N 3.49Å; L847-D849 PolarHBondContact O-N 3.49Å
850	V	73.8	Confident	74.5	Confident	72 Å²	72	72.3 Å²	72.3	44%	0.436	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-39.6	-179.3	175.8	0	0	0	0	111.7	L787 L847 C848	L787-V850 HydrophobicContact CD1-CG2 4.29Å; L787-V850 HydrophobicContact CD2-CG2 3.77Å; L787-V850 HydrophobicContact CG-CG2 4.46Å; L847-V850 PolarHBondContact O-N 2.84Å; L847-V850 VanDerWaalsContact O-N 3.12Å; C848-V850 PolarHBondContact O-N 3.03Å
851	A	70.7	Confident	76	Confident	23 Å²	23	72.2 Å²	72.2	19%	0.19	36%	0.361	C	S	.	.			trans	-126	107.4	178.7	0	0	0	0	0	111.1	I775 L847 C848 S853 L854	I775-A851 HydrophobicContact CD1-CB 4.1Å; L847-A851 PolarHBondContact O-N 2.95Å; C848-A851 WeakPolarHBondContact CA-O 3.35Å; A851-S853 PolarHBondContact O-N 2.62Å; A851-L854 HydrophobicContact CB-CD1 4.03Å; A851-L854 HydrophobicContact CB-CD2 4.15Å; A851-L854 HydrophobicContact CB-CG 3.78Å; A851-L854 VanDerWaalsContact O-CD1 3.28Å; A851-L854 WeakPolarHBondContact O-CD1 3.27Å; A851-L854 VanDerWaalsContact O-CG 3.28Å; A851-L854 WeakPolarHBondContact O-CG 3.39Å
852	R	63.5	Low	77.4	Confident	250 Å²	250	65.5 Å²	65.5	94%	0.943	34%	0.34	S	S	*	.	S	Bend	trans	-68.5	-17.9	-179.7	-67.8	-179.5	178.6	154.7	-0.6	114.5
853	S	68.5	Low	78.5	Confident	118 Å²	118	63.8 Å²	63.8	83%	0.825	33%	0.328	S	S	*	.			trans	-115.1	96.9	178.1	-172.8	0	0	0	0	108.7	A851	A851-S853 PolarHBondContact O-N 2.62Å
854	L	74.3	Confident	79.2	Confident	31 Å²	31	61 Å²	61	16%	0.162	31%	0.308	C	S	.	.			trans	-137.6	112.7	-171.5	-92	-177.1	0	0	0	109.3	T773 F813 L847 A851 E856	T773-L854 HydrophobicContact CG2-CD2 3.29Å; F813-L854 HydrophobicContact CE1-CB 3.78Å; F813-L854 HydrophobicContact CE1-CD1 4.41Å; F813-L854 HydrophobicContact CE2-CB 4.45Å; F813-L854 HydrophobicContact CE2-CD1 3.97Å; F813-L854 HydrophobicContact CE2-CD2 4.28Å; F813-L854 HydrophobicContact CE2-CG 4.48Å; F813-L854 HydrophobicContact CZ-CB 3.54Å; F813-L854 HydrophobicContact CZ-CD1 3.87Å; F813-L854 HydrophobicContact CZ-CD2 3.99Å; F813-L854 HydrophobicContact CZ-CG 4.01Å; L847-L854 HydrophobicContact CB-CD1 3.85Å; A851-L854 HydrophobicContact CB-CD1 4.03Å; A851-L854 HydrophobicContact CB-CD2 4.15Å; A851-L854 HydrophobicContact CB-CG 3.78Å; A851-L854 VanDerWaalsContact O-CD1 3.28Å; A851-L854 WeakPolarHBondContact O-CD1 3.27Å; A851-L854 VanDerWaalsContact O-CG 3.28Å; A851-L854 WeakPolarHBondContact O-CG 3.39Å; L854-E856 PolarHBondContact O-N 3.28Å
855	D	79.9	Confident	79.3	Confident	67 Å²	67	63.6 Å²	63.6	36%	0.358	32%	0.321	S	S	.	.			trans	-92.6	103.6	-174.6	-172.8	-22.2	0	0	0	111.3	R857 K858 I859	D855-R857 PolarHBondContact O-N 3.35Å; D855-R857 PolarHBondContact OD1-N 3.32Å; D855-K858 HydrophobicContact CB-CB 4.27Å; D855-K858 HydrophobicContact CB-CD 4.1Å; D855-K858 HydrophobicContact CB-CG 4.06Å; D855-K858 PolarHBondContact O-N 2.93Å; D855-K858 IonicContact OD2-NZ 2.67Å; D855-K858 PolarHBondContact OD2-NZ 3.36Å; D855-I859 PolarHBondContact O-N 2.84Å
856	E	78.9	Confident	79.2	Confident	64 Å²	64	63.4 Å²	63.4	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-52.3	-38.4	180	-65.3	-156.1	140.7	0	0	113.9	K699 F745 F813 L854 I859 I860	K699-E856 IonicContact NZ-OE1 2.62Å; K699-E856 PolarHBondContact NZ-OE1 3.37Å; K699-E856 IonicContact NZ-OE2 2.78Å; K699-E856 PolarHBondContact NZ-OE2 3.15Å; F745-E856 HydrophobicContact CE1-CB 4.14Å; F745-E856 HydrophobicContact CE1-CG 4.48Å; F745-E856 HydrophobicContact CZ-CB 3.67Å; F745-E856 HydrophobicContact CZ-CG 3.8Å; F813-E856 HydrophobicContact CD1-CG 3.82Å; F813-E856 HydrophobicContact CE1-CG 3.64Å; L854-E856 PolarHBondContact O-N 3.28Å; E856-I859 PolarHBondContact O-N 3Å; E856-I860 PolarHBondContact O-N 2.8Å; E856-I860 VanDerWaalsContact O-N 3.15Å
857	R	82.5	Confident	79.1	Confident	211 Å²	211	64.4 Å²	64.4	80%	0.796	33%	0.325	S	S	*	.	H	α-helix	trans	-72.5	-37.1	-173.4	-64.6	-179.2	178.7	177.3	-0.2	111	D855 I859 A861	D855-R857 PolarHBondContact O-N 3.35Å; D855-R857 PolarHBondContact OD1-N 3.32Å; R857-I859 VanDerWaalsContact C-N 3.27Å; R857-I859 PolarHBondContact O-N 3.37Å; R857-A861 VanDerWaalsContact O-CB 3.3Å; R857-A861 WeakPolarHBondContact O-CB 3.36Å; R857-A861 PolarHBondContact O-N 3.48Å
858	K	84	Confident	78.8	Confident	128 Å²	128	69.8 Å²	69.8	56%	0.557	35%	0.346	S	S	*	.	H	α-helix	trans	-63.5	-32.9	176	-68.8	-171.9	179.8	88.6	0	112.3	D855 A862	D855-K858 HydrophobicContact CB-CB 4.27Å; D855-K858 HydrophobicContact CB-CD 4.1Å; D855-K858 HydrophobicContact CB-CG 4.06Å; D855-K858 PolarHBondContact O-N 2.93Å; D855-K858 IonicContact OD2-NZ 2.67Å; D855-K858 PolarHBondContact OD2-NZ 3.36Å; K858-A862 WeakPolarHBondContact O-CB 3.5Å; K858-A862 PolarHBondContact O-N 3.19Å
859	I	84.5	Confident	78.3	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-79.3	-41.6	-179.4	-58.6	-177.3	0	0	0	111.5	V769 T773 F813 D855 E856 R857 A861 A862 I863	V769-I859 HydrophobicContact CG2-CG2 4Å; T773-I859 HydrophobicContact CG2-CD1 3.55Å; T773-I859 HydrophobicContact CG2-CG1 4.31Å; F813-I859 HydrophobicContact CD2-CD1 4.38Å; F813-I859 HydrophobicContact CE2-CD1 3.24Å; F813-I859 HydrophobicContact CZ-CD1 3.36Å; D855-I859 PolarHBondContact O-N 2.84Å; E856-I859 PolarHBondContact O-N 3Å; R857-I859 VanDerWaalsContact C-N 3.27Å; R857-I859 PolarHBondContact O-N 3.37Å; I859-A861 VanDerWaalsContact C-N 3.32Å; I859-A862 PolarHBondContact O-N 3.12Å; I859-I863 HydrophobicContact CG2-CD1 3.82Å; I859-I863 WeakPolarHBondContact O-CB 3.35Å; I859-I863 VanDerWaalsContact O-CG1 3.3Å; I859-I863 WeakPolarHBondContact O-CG1 3.23Å; I859-I863 PolarHBondContact O-N 3.21Å
860	I	86.5	Confident	78.1	Confident	46 Å²	46	69 Å²	69	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-48.2	169.6	-67.7	177.9	0	0	0	109.6	L667 I697 F745 E856 I863 V864	L667-I860 HydrophobicContact CD2-CG2 4.48Å; I697-I860 HydrophobicContact CD1-CG2 4.37Å; F745-I860 HydrophobicContact CD1-CD1 3.93Å; F745-I860 HydrophobicContact CD1-CG1 3.98Å; F745-I860 HydrophobicContact CE1-CD1 3.62Å; F745-I860 HydrophobicContact CE1-CG1 3.7Å; F745-I860 HydrophobicContact CZ-CG1 4.48Å; E856-I860 PolarHBondContact O-N 2.8Å; E856-I860 VanDerWaalsContact O-N 3.15Å; I860-I863 PolarHBondContact O-N 3.22Å; I860-V864 HydrophobicContact CG2-CG2 4.14Å; I860-V864 WeakPolarHBondContact O-CB 3.28Å; I860-V864 VanDerWaalsContact O-CG2 3.27Å; I860-V864 WeakPolarHBondContact O-CG2 3.26Å; I860-V864 PolarHBondContact O-N 3.21Å
861	A	84.3	Confident	77.6	Confident	43 Å²	43	66.9 Å²	66.9	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-55.3	177.5	0	0	0	0	0	111.6	R857 I859 I863 V864 D865	R857-A861 VanDerWaalsContact O-CB 3.3Å; R857-A861 WeakPolarHBondContact O-CB 3.36Å; R857-A861 PolarHBondContact O-N 3.48Å; I859-A861 VanDerWaalsContact C-N 3.32Å; A861-I863 VanDerWaalsContact C-N 3.3Å; A861-I863 PolarHBondContact O-N 3.42Å; A861-V864 CarbonylContact O-C 3.59Å; A861-V864 WeakPolarHBondContact O-CA 3.5Å; A861-V864 PolarHBondContact O-N 2.79Å; A861-D865 WeakPolarHBondContact O-CB 3.36Å; A861-D865 VanDerWaalsContact O-CG 3.25Å; A861-D865 PolarHBondContact O-N 3.1Å
862	A	85.4	Confident	76.4	Confident	20 Å²	20	67 Å²	67	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-37.5	-179.9	0	0	0	0	0	113.9	C768 T772 K858 I859 D866	C768-A862 HydrophobicContact CB-CB 4.32Å; T772-A862 HydrophobicContact CG2-CB 3.55Å; K858-A862 WeakPolarHBondContact O-CB 3.5Å; K858-A862 PolarHBondContact O-N 3.19Å; I859-A862 PolarHBondContact O-N 3.12Å; A862-D866 WeakPolarHBondContact O-CB 3.47Å; A862-D866 PolarHBondContact O-N 3.43Å
863	I	87.2	Confident	75.7	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-38.1	176.2	-67.3	167.8	0	0	0	111.3	L695 F747 V765 C768 I859 I860 A861 Y867	L695-I863 HydrophobicContact CD2-CG2 4.36Å; F747-I863 HydrophobicContact CD1-CG2 4.21Å; F747-I863 HydrophobicContact CE1-CB 4.42Å; F747-I863 HydrophobicContact CE1-CD1 3.65Å; F747-I863 HydrophobicContact CE1-CG2 3.9Å; F747-I863 HydrophobicContact CE2-CD1 4.37Å; F747-I863 HydrophobicContact CZ-CD1 3.47Å; F747-I863 VanDerWaalsContact CZ-CD1 3.47Å; V765-I863 HydrophobicContact CB-CD1 4.48Å; V765-I863 HydrophobicContact CG1-CD1 3.85Å; V765-I863 HydrophobicContact CG2-CD1 4.14Å; V765-I863 HydrophobicContact CG2-CG1 4.22Å; V765-I863 HydrophobicContact CG2-CG2 4.06Å; C768-I863 HydrophobicContact CB-CG1 3.64Å; I859-I863 HydrophobicContact CG2-CD1 3.82Å; I859-I863 WeakPolarHBondContact O-CB 3.35Å; I859-I863 VanDerWaalsContact O-CG1 3.3Å; I859-I863 WeakPolarHBondContact O-CG1 3.23Å; I859-I863 PolarHBondContact O-N 3.21Å; I860-I863 PolarHBondContact O-N 3.22Å; A861-I863 VanDerWaalsContact C-N 3.3Å; A861-I863 PolarHBondContact O-N 3.42Å; I863-Y867 WeakPolarHBondContact O-CB 3.36Å; I863-Y867 PolarHBondContact O-N 3.34Å
864	V	84.9	Confident	75.3	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-36.3	174.6	170.7	0	0	0	0	111.1	V665 L667 I697 I860 A861 R868 I876	V665-V864 HydrophobicContact CG1-CG1 4.34Å; V665-V864 HydrophobicContact CG1-CG2 4.01Å; L667-V864 HydrophobicContact CD2-CG2 4.32Å; I697-V864 HydrophobicContact CD1-CG2 3.5Å; I860-V864 HydrophobicContact CG2-CG2 4.14Å; I860-V864 WeakPolarHBondContact O-CB 3.28Å; I860-V864 VanDerWaalsContact O-CG2 3.27Å; I860-V864 WeakPolarHBondContact O-CG2 3.26Å; I860-V864 PolarHBondContact O-N 3.21Å; A861-V864 CarbonylContact O-C 3.59Å; A861-V864 WeakPolarHBondContact O-CA 3.5Å; A861-V864 PolarHBondContact O-N 2.79Å; V864-R868 WeakPolarHBondContact O-CB 3.46Å; V864-R868 PolarHBondContact O-N 3.4Å; V864-I876 HydrophobicContact CG1-CD1 3.89Å
865	D	79.1	Confident	74.9	Confident	87 Å²	87	56 Å²	56	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-75.7	-41.9	179.8	-67.6	-35.1	0	0	0	112.3	A861 Y867 R868 S869	A861-D865 WeakPolarHBondContact O-CB 3.36Å; A861-D865 VanDerWaalsContact O-CG 3.25Å; A861-D865 PolarHBondContact O-N 3.1Å; D865-Y867 VanDerWaalsContact C-N 3.32Å; D865-Y867 PolarHBondContact O-N 3.04Å; D865-R868 PolarHBondContact O-N 3.02Å; D865-S869 PolarHBondContact O-N 3.18Å
866	D	81.3	Confident	74.7	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.193	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-39.5	172.3	-166.6	83.4	0	0	0	110.5	K767 C768 A862 S869 S870	K767-D866 IonicContact NZ-OD1 2.74Å; K767-D866 PolarHBondContact NZ-OD1 3.39Å; C768-D866 WeakPolarHBondContact SG-CB 3.37Å; A862-D866 WeakPolarHBondContact O-CB 3.47Å; A862-D866 PolarHBondContact O-N 3.43Å; D866-S869 PolarHBondContact O-OG 3.13Å; D866-S870 PolarHBondContact O-OG 3.41Å
867	Y	80.1	Confident	74.6	Confident	21 Å²	21	56.9 Å²	56.9	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-41.8	171.7	-169.3	-101.7	0	0	0	112.3	A663 V665 A694 L695 Y749 I863 D865 S869 S870 F871	A663-Y867 HydrophobicContact CB-CE1 3.71Å; V665-Y867 HydrophobicContact CG2-CD1 3.66Å; V665-Y867 HydrophobicContact CG2-CE1 3.95Å; A694-Y867 VanDerWaalsContact CA-OH 3.3Å; A694-Y867 WeakPolarHBondContact CA-OH 3.47Å; A694-Y867 PolarHBondContact N-OH 3.44Å; A694-Y867 PolarHBondContact O-OH 2.9Å; L695-Y867 HydrophobicContact CB-CD1 4Å; L695-Y867 HydrophobicContact CB-CD2 4.37Å; L695-Y867 HydrophobicContact CB-CE1 3.65Å; L695-Y867 HydrophobicContact CB-CE2 4.05Å; L695-Y867 HydrophobicContact CB-CG 4.34Å; L695-Y867 HydrophobicContact CD2-CD1 3.96Å; L695-Y867 HydrophobicContact CD2-CD2 3.95Å; L695-Y867 HydrophobicContact CD2-CE1 4.45Å; L695-Y867 HydrophobicContact CD2-CE2 4.43Å; L695-Y867 HydrophobicContact CD2-CG 3.67Å; Y749-Y867 HydrophobicContact CD1-CD2 4.44Å; Y749-Y867 AromaticContact CD1-CE2 4Å; Y749-Y867 HydrophobicContact CD1-CE2 4Å; Y749-Y867 AromaticContact CE1-CD2 3.84Å; Y749-Y867 HydrophobicContact CE1-CD2 3.84Å; Y749-Y867 AromaticContact CE1-CE2 3.86Å; Y749-Y867 HydrophobicContact CE1-CE2 3.86Å; I863-Y867 WeakPolarHBondContact O-CB 3.36Å; I863-Y867 PolarHBondContact O-N 3.34Å; D865-Y867 VanDerWaalsContact C-N 3.32Å; D865-Y867 PolarHBondContact O-N 3.04Å; Y867-S869 PolarHBondContact O-N 3.3Å; Y867-S870 WeakPolarHBondContact O-CB 3.34Å; Y867-S870 PolarHBondContact O-N 3.43Å; Y867-S870 VanDerWaalsContact O-N 3.16Å; Y867-F871 HydrophobicContact CD1-CD2 4.35Å; Y867-F871 HydrophobicContact CD1-CE2 4.43Å; Y867-F871 HydrophobicContact CD2-CE2 4.13Å; Y867-F871 HydrophobicContact CE1-CD2 4.08Å; Y867-F871 HydrophobicContact CE1-CE2 4.01Å; Y867-F871 HydrophobicContact CE2-CD2 4.5Å; Y867-F871 AromaticContact CE2-CE2 3.68Å; Y867-F871 HydrophobicContact CE2-CE2 3.68Å; Y867-F871 HydrophobicContact CG-CE2 4.5Å; Y867-F871 AromaticContact CZ-CE2 3.61Å; Y867-F871 WeakPolarHBondContact O-CD2 3.38Å
868	R	72.7	Confident	74.5	Confident	114 Å²	114	51.5 Å²	51.5	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.6	178.5	173.5	-176.7	-176.9	1.7	112	V864 D865 S870 F871 C874	V864-R868 WeakPolarHBondContact O-CB 3.46Å; V864-R868 PolarHBondContact O-N 3.4Å; D865-R868 PolarHBondContact O-N 3.02Å; R868-S870 PolarHBondContact O-N 3.43Å; R868-S870 VanDerWaalsContact O-N 3.09Å; R868-F871 PolarHBondContact O-N 3.23Å; R868-F871 VanDerWaalsContact O-N 3.08Å; R868-F871 VanDerWaalsContact O-O 3.05Å; R868-C874 HydrophobicContact CB-CB 4.27Å; R868-C874 HydrophobicContact CG-CB 4.11Å
869	S	67.9	Low	74.3	Confident	48 Å²	48	45.7 Å²	45.7	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-57.1	-26.2	176.1	76.8	0	0	0	0	113.2	D865 D866 Y867	D865-S869 PolarHBondContact O-N 3.18Å; D866-S869 PolarHBondContact O-OG 3.13Å; Y867-S869 PolarHBondContact O-N 3.3Å
870	S	70	Confident	74	Confident	54 Å²	54	49.1 Å²	49.1	38%	0.378	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-19	179.7	-59.8	0	0	0	0	114.3	R603 D866 Y867 R868	R603-S870 VanDerWaalsContact NH2-C 3.27Å; R603-S870 PolarHBondContact NH2-O 3.17Å; D866-S870 PolarHBondContact O-OG 3.41Å; Y867-S870 WeakPolarHBondContact O-CB 3.34Å; Y867-S870 PolarHBondContact O-N 3.43Å; Y867-S870 VanDerWaalsContact O-N 3.16Å; R868-S870 PolarHBondContact O-N 3.43Å; R868-S870 VanDerWaalsContact O-N 3.09Å
871	F	63.6	Low	73.6	Confident	29 Å²	29	49.2 Å²	49.2	13%	0.127	28%	0.28	C	S	.	.	S	Bend	trans	-127.3	159.2	-171.6	-61.1	-70	0	0	0	112.9	R603 E661 A663 N693 Y867 R868	R603-F871 VanDerWaalsContact CZ-C 3.41Å; R603-F871 PolarHBondContact NH2-O 3.28Å; E661-F871 WeakPolarHBondContact O-CD1 3.42Å; A663-F871 HydrophobicContact CB-CB 3.96Å; A663-F871 HydrophobicContact CB-CD1 3.94Å; A663-F871 HydrophobicContact CB-CD2 3.32Å; A663-F871 HydrophobicContact CB-CE1 4.32Å; A663-F871 HydrophobicContact CB-CE2 3.75Å; A663-F871 HydrophobicContact CB-CG 3.42Å; A663-F871 VanDerWaalsContact CB-CG 3.42Å; A663-F871 HydrophobicContact CB-CZ 4.23Å; N693-F871 HydrophobicContact CB-CE1 4.05Å; N693-F871 HydrophobicContact CB-CE2 4.41Å; N693-F871 HydrophobicContact CB-CZ 3.76Å; N693-F871 WeakPolarHBondContact ND2-CE1 3.41Å; Y867-F871 HydrophobicContact CD1-CD2 4.35Å; Y867-F871 HydrophobicContact CD1-CE2 4.43Å; Y867-F871 HydrophobicContact CD2-CE2 4.13Å; Y867-F871 HydrophobicContact CE1-CD2 4.08Å; Y867-F871 HydrophobicContact CE1-CE2 4.01Å; Y867-F871 HydrophobicContact CE2-CD2 4.5Å; Y867-F871 AromaticContact CE2-CE2 3.68Å; Y867-F871 HydrophobicContact CE2-CE2 3.68Å; Y867-F871 HydrophobicContact CG-CE2 4.5Å; Y867-F871 AromaticContact CZ-CE2 3.61Å; Y867-F871 WeakPolarHBondContact O-CD2 3.38Å; R868-F871 PolarHBondContact O-N 3.23Å; R868-F871 VanDerWaalsContact O-N 3.08Å; R868-F871 VanDerWaalsContact O-O 3.05Å
872	E	45.2	Very low	73.4	Confident	24 Å²	24	47.6 Å²	47.6	11%	0.112	27%	0.266	C	S	.	.	S	Bend	trans	-75.6	-45.4	-171.1	-159.6	135.5	-68.5	0	0	111.9	R603 P644 L660	R603-E872 WeakPolarHBondContact CD-OE1 3.17Å; R603-E872 VanDerWaalsContact CZ-CA 3.5Å; R603-E872 IonicContact CZ-OE1 3.76Å; R603-E872 IonicContact NE-OE1 2.74Å; R603-E872 IonicContact NH1-OE1 3.9Å; R603-E872 PolarHBondContact NH1-OE1 2.94Å; P644-E872 HydrophobicContact CB-CB 4.43Å; P644-E872 HydrophobicContact CB-CG 4.39Å; L660-E872 WeakPolarHBondContact CB-OE2 3.23Å; L660-E872 WeakPolarHBondContact CD1-OE1 3.49Å; L660-E872 VanDerWaalsContact CD1-OE2 3.28Å; L660-E872 WeakPolarHBondContact CD1-OE2 3.44Å
873	R	49.7	Very low	73	Confident	87 Å²	87	49.4 Å²	49.4	33%	0.328	28%	0.275	S	S	.	.			trans	-128.1	141.1	162.9	-76.4	178.1	160.2	-168.7	-2.2	108.6	C642 M662 A663	C642-R873 PolarHBondContact O-NE 2.8Å; C642-R873 PolarHBondContact O-NH1 2.97Å; C642-R873 PolarHBondContact O-NH2 2.8Å; M662-R873 WeakPolarHBondContact CA-O 3.41Å; M662-R873 WeakPolarHBondContact CB-O 3.4Å; M662-R873 HydrophobicContact CE-CB 3.83Å; M662-R873 HydrophobicContact CE-CG 4.25Å; M662-R873 HydrophobicContact CG-CB 4Å; M662-R873 HydrophobicContact SD-CB 3.73Å; A663-R873 PolarHBondContact N-O 3.4Å; A663-R873 VanDerWaalsContact N-O 3.08Å
874	C	59.8	Low	72.5	Confident	14 Å²	14	53.4 Å²	53.4	10%	0.095	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	102	168.6	-91.3	0	0	0	0	108.4	A663 V665 R868 I876	A663-C874 WeakPolarHBondContact O-CA 3.36Å; V665-C874 HydrophobicContact CG2-CB 4.37Å; R868-C874 HydrophobicContact CB-CB 4.27Å; R868-C874 HydrophobicContact CG-CB 4.11Å; C874-I876 PolarHBondContact O-N 3.25Å
875	N	65.3	Low	71.9	Confident	67 Å²	67	63 Å²	63	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119	172.9	-66.2	-14	0	0	0	108.6	A663 T664 V665	A663-N875 PolarHBondContact O-N 3.11Å; T664-N875 HydrophobicContact CG2-CB 4.38Å; V665-N875 PolarHBondContact N-O 2.72Å
876	I	75.1	Confident	71.6	Confident	73 Å²	73	64.4 Å²	64.4	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.4	178.2	-53.3	177.8	0	0	0	108.6	V665 L667 V864 C874	V665-I876 HydrophobicContact CB-CG1 4.25Å; V665-I876 CarbonylContact O-C 3.4Å; V665-I876 WeakPolarHBondContact O-CA 3.37Å; L667-I876 HydrophobicContact CD1-CG2 3.64Å; L667-I876 HydrophobicContact CG-CG2 4.04Å; V864-I876 HydrophobicContact CG1-CD1 3.89Å; C874-I876 PolarHBondContact O-N 3.25Å
877	H	77.6	Confident	71.6	Confident	77 Å²	77	63 Å²	63	36%	0.356	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.3	178.6	-66.4	-63	0	0	0	110.9	V665 W666 L667	V665-H877 PolarHBondContact O-N 3.08Å; W666-H877 HydrophobicContact CD2-CB 4.06Å; W666-H877 AromaticContact CE2-CD2 4Å; W666-H877 HydrophobicContact CE3-CB 3.6Å; W666-H877 HydrophobicContact CH2-CB 4.31Å; W666-H877 AromaticContact CH2-CD2 3.88Å; W666-H877 AromaticContact CZ2-CD2 3.77Å; W666-H877 HydrophobicContact CZ3-CB 3.74Å; L667-H877 PolarHBondContact N-O 3.31Å
878	T	80.1	Confident	71.5	Confident	99 Å²	99	66 Å²	66	61%	0.607	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.6	174.9	39.3	0	0	0	0	111.2	L667	L667-T878 HydrophobicContact CB-CG2 4.11Å; L667-T878 HydrophobicContact CD1-CG2 4.14Å; L667-T878 CarbonylContact O-C 3.56Å; L667-T878 WeakPolarHBondContact O-CA 3.48Å
879	V	80.8	Confident	71.9	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.4	-179.6	-178	0	0	0	0	109.4	W666 L667 S668 N669 V882 F887	W666-V879 HydrophobicContact CE3-CG2 3.81Å; W666-V879 HydrophobicContact CZ3-CG2 4.12Å; L667-V879 PolarHBondContact O-N 2.83Å; S668-V879 WeakPolarHBondContact CA-O 3.37Å; N669-V879 PolarHBondContact N-O 2.95Å; V879-V882 HydrophobicContact CG1-CG2 4.09Å; V879-F887 HydrophobicContact CG1-CE2 4Å; V879-F887 HydrophobicContact CG1-CZ 4.44Å; V879-F887 HydrophobicContact CG2-CE2 4.37Å; V879-F887 HydrophobicContact CG2-CZ 4Å
880	A	78.3	Confident	72.6	Confident	75 Å²	75	59.3 Å²	59.3	62%	0.62	33%	0.326	S	S	*	.	S	Bend	trans	-69.1	-48.3	-178.1	0	0	0	0	0	112.9	S670	S670-A880 PolarHBondContact N-O 3.1Å
881	A	76.8	Confident	73.4	Confident	47 Å²	47	60.5 Å²	60.5	39%	0.388	33%	0.329	S	S	.	.	S	Bend	trans	-145.8	146.7	173.2	0	0	0	0	0	108
882	V	80.2	Confident	74.4	Confident	9 Å²	9	64.6 Å²	64.6	6%	0.055	35%	0.352	C	S	.	.			trans	-86.8	120	-177.4	-167.7	0	0	0	0	108.5	E675 L679 V879 F887 V890	E675-V882 HydrophobicContact CB-CB 3.97Å; E675-V882 HydrophobicContact CB-CG2 3.8Å; E675-V882 HydrophobicContact CG-CB 4.11Å; E675-V882 HydrophobicContact CG-CG2 4.42Å; E675-V882 PolarHBondContact OE2-N 3.34Å; L679-V882 HydrophobicContact CB-CG1 4.24Å; L679-V882 HydrophobicContact CB-CG2 4.1Å; L679-V882 HydrophobicContact CD1-CG1 4.3Å; L679-V882 HydrophobicContact CD2-CG2 4.1Å; V879-V882 HydrophobicContact CG1-CG2 4.09Å; V882-F887 HydrophobicContact CG1-CD2 3.59Å; V882-F887 HydrophobicContact CG1-CE2 4.1Å; V882-F887 HydrophobicContact CG1-CG 4.28Å; V882-V890 HydrophobicContact CG1-CG1 3.84Å; V882-V890 HydrophobicContact CG1-CG2 4.32Å
883	T	77.7	Confident	76.2	Confident	59 Å²	59	64.8 Å²	64.8	36%	0.362	35%	0.353	S	S	.	.			trans	-129	143.7	-174	59	0	0	0	0	111.6	K885 Q886 F887	T883-K885 PolarHBondContact O-N 3.09Å; T883-K885 VanDerWaalsContact O-N 3.13Å; T883-Q886 PolarHBondContact O-N 3.23Å; T883-F887 PolarHBondContact O-N 3.21Å
884	E	77.3	Confident	77.9	Confident	87 Å²	87	61.6 Å²	61.6	41%	0.407	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.2	179.5	-172.1	160.9	-123.1	0	0	113.5	Q886 F887 P888 G889	E884-Q886 VanDerWaalsContact C-N 3.25Å; E884-Q886 PolarHBondContact O-N 3.44Å; E884-F887 CarbonylContact O-C 3.38Å; E884-F887 VanDerWaalsContact O-C 3.28Å; E884-F887 PolarHBondContact O-N 2.95Å; E884-P888 WeakPolarHBondContact O-CA 3.01Å; E884-G889 WeakPolarHBondContact OE1-CA 3.1Å; E884-G889 PolarHBondContact OE1-N 3.02Å
885	K	71.8	Confident	79.1	Confident	210 Å²	210	63.6 Å²	63.6	91%	0.913	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.5	174.4	-69.6	-172.9	177.9	-177.6	0	113.7	T883	T883-K885 PolarHBondContact O-N 3.09Å; T883-K885 VanDerWaalsContact O-N 3.13Å
886	Q	71.6	Confident	79.8	Confident	116 Å²	116	64.1 Å²	64.1	54%	0.542	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-33.3	175.2	-69	-178.2	-18.6	0	0	111.8	T883 E884	T883-Q886 PolarHBondContact O-N 3.23Å; E884-Q886 VanDerWaalsContact C-N 3.25Å; E884-Q886 PolarHBondContact O-N 3.44Å
887	F	81.5	Confident	80.1	Confident	7 Å²	7	60.7 Å²	60.7	3%	0.031	34%	0.343	C	S	.	.	S	Bend	trans	-133.7	83.4	-172.6	-54.5	-77.9	0	0	0	110.1	W666 L679 W682 V879 V882 T883 E884 G889 V890	W666-F887 HydrophobicContact CE3-CZ 4.39Å; W666-F887 HydrophobicContact CH2-CE1 4.25Å; W666-F887 AromaticContact CZ3-CE1 3.89Å; W666-F887 HydrophobicContact CZ3-CE1 3.89Å; W666-F887 AromaticContact CZ3-CZ 3.79Å; W666-F887 HydrophobicContact CZ3-CZ 3.79Å; L679-F887 HydrophobicContact CD1-CD1 3.9Å; L679-F887 HydrophobicContact CD1-CD2 4.26Å; L679-F887 HydrophobicContact CD1-CE1 3.57Å; L679-F887 HydrophobicContact CD1-CE2 3.96Å; L679-F887 HydrophobicContact CD1-CG 4.23Å; L679-F887 HydrophobicContact CD1-CZ 3.6Å; W682-F887 HydrophobicContact CD2-CB 4.13Å; W682-F887 AromaticContact CD2-CD1 3.98Å; W682-F887 HydrophobicContact CD2-CD1 3.98Å; W682-F887 AromaticContact CE3-CD1 3.71Å; W682-F887 HydrophobicContact CE3-CD1 3.71Å; W682-F887 HydrophobicContact CE3-CE1 4.4Å; W682-F887 HydrophobicContact CG-CB 4.33Å; W682-F887 HydrophobicContact CH2-CD1 4.03Å; W682-F887 HydrophobicContact CZ2-CB 4.43Å; W682-F887 HydrophobicContact CZ2-CD1 4.26Å; W682-F887 AromaticContact CZ3-CD1 3.75Å; W682-F887 HydrophobicContact CZ3-CD1 3.75Å; W682-F887 HydrophobicContact CZ3-CE1 4.26Å; V879-F887 HydrophobicContact CG1-CE2 4Å; V879-F887 HydrophobicContact CG1-CZ 4.44Å; V879-F887 HydrophobicContact CG2-CE2 4.37Å; V879-F887 HydrophobicContact CG2-CZ 4Å; V882-F887 HydrophobicContact CG1-CD2 3.59Å; V882-F887 HydrophobicContact CG1-CE2 4.1Å; V882-F887 HydrophobicContact CG1-CG 4.28Å; T883-F887 PolarHBondContact O-N 3.21Å; E884-F887 CarbonylContact O-C 3.38Å; E884-F887 VanDerWaalsContact O-C 3.28Å; E884-F887 PolarHBondContact O-N 2.95Å; F887-G889 PolarHBondContact O-N 3.33Å; F887-V890 HydrophobicContact CB-CB 4.2Å; F887-V890 HydrophobicContact CB-CG2 3.41Å; F887-V890 VanDerWaalsContact CB-CG2 3.41Å; F887-V890 HydrophobicContact CG-CG2 4.43Å; F887-V890 WeakPolarHBondContact O-CB 3.23Å; F887-V890 WeakPolarHBondContact O-CG2 3.34Å; F887-V890 PolarHBondContact O-N 3.03Å; F887-V890 VanDerWaalsContact O-N 3.14Å
888	P	79.3	Confident	80.2	Confident	83 Å²	83	63.7 Å²	63.7	54%	0.539	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	133.7	-173.8	20.3	-33.7	0	0	0	112.3	W682 E884 V890	W682-P888 HydrophobicContact CZ2-CG 4.41Å; W682-P888 PolarHBondContact NE1-O 2.69Å; E884-P888 WeakPolarHBondContact O-CA 3.01Å; P888-V890 VanDerWaalsContact C-N 3.34Å
889	G	81	Confident	79.9	Confident	22 Å²	22	61 Å²	61	23%	0.227	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.8	-178.3	0	0	0	0	0	115.6	E884 F887 D891 N892 M893	E884-G889 WeakPolarHBondContact OE1-CA 3.1Å; E884-G889 PolarHBondContact OE1-N 3.02Å; F887-G889 PolarHBondContact O-N 3.33Å; G889-D891 VanDerWaalsContact C-N 3.33Å; G889-D891 PolarHBondContact O-N 3.4Å; G889-N892 PolarHBondContact O-N 3.05Å; G889-M893 PolarHBondContact O-N 3.12Å
890	V	82.6	Confident	78.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-39.8	174.4	156.8	0	0	0	0	112.2	A678 W682 V882 F887 P888 N892 M893 I894	A678-V890 HydrophobicContact CB-CG1 3.94Å; W682-V890 HydrophobicContact CB-CG2 3.86Å; W682-V890 HydrophobicContact CG-CG2 3.78Å; V882-V890 HydrophobicContact CG1-CG1 3.84Å; V882-V890 HydrophobicContact CG1-CG2 4.32Å; F887-V890 HydrophobicContact CB-CB 4.2Å; F887-V890 HydrophobicContact CB-CG2 3.41Å; F887-V890 VanDerWaalsContact CB-CG2 3.41Å; F887-V890 HydrophobicContact CG-CG2 4.43Å; F887-V890 WeakPolarHBondContact O-CB 3.23Å; F887-V890 WeakPolarHBondContact O-CG2 3.34Å; F887-V890 PolarHBondContact O-N 3.03Å; F887-V890 VanDerWaalsContact O-N 3.14Å; P888-V890 VanDerWaalsContact C-N 3.34Å; V890-N892 PolarHBondContact O-N 2.57Å; V890-M893 CarbonylContact O-C 3.59Å; V890-M893 WeakPolarHBondContact O-CA 3.5Å; V890-M893 WeakPolarHBondContact O-CB 3.33Å; V890-M893 PolarHBondContact O-N 2.7Å; V890-I894 HydrophobicContact CG1-CD1 3.54Å; V890-I894 HydrophobicContact CG1-CG1 3.92Å; V890-I894 PolarHBondContact O-N 3.01Å
891	D	85.3	Confident	77.6	Confident	79 Å²	79	69.9 Å²	69.9	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-33.1	-175.2	-71.3	31.6	0	0	0	111.4	G889 I894 A895	G889-D891 VanDerWaalsContact C-N 3.33Å; G889-D891 PolarHBondContact O-N 3.4Å; D891-I894 PolarHBondContact O-N 3.45Å; D891-A895 WeakPolarHBondContact O-CB 3.46Å; D891-A895 PolarHBondContact O-N 2.96Å
892	N	85.1	Confident	76.2	Confident	115 Å²	115	70.1 Å²	70.1	62%	0.615	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-39.8	169.5	-67.1	-58.5	0	0	0	112.6	G889 V890 A895 E896	G889-N892 PolarHBondContact O-N 3.05Å; V890-N892 PolarHBondContact O-N 2.57Å; N892-A895 PolarHBondContact O-N 3.48Å; N892-E896 PolarHBondContact O-N 3.05Å
893	M	83.3	Confident	74.9	Confident	29 Å²	29	69.9 Å²	69.9	14%	0.143	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-36.7	174.8	-59.3	-172	-166.6	0	0	111.9	A678 H681 W682 G889 V890 A895 E896 L897	A678-M893 HydrophobicContact CB-CB 4.12Å; H681-M893 HydrophobicContact CB-SD 4.08Å; H681-M893 PolarHBondContact ND1-SD 3.37Å; W682-M893 HydrophobicContact CB-CE 4.42Å; W682-M893 HydrophobicContact CB-SD 4.22Å; G889-M893 PolarHBondContact O-N 3.12Å; V890-M893 CarbonylContact O-C 3.59Å; V890-M893 WeakPolarHBondContact O-CA 3.5Å; V890-M893 WeakPolarHBondContact O-CB 3.33Å; V890-M893 PolarHBondContact O-N 2.7Å; M893-A895 VanDerWaalsContact C-N 3.34Å; M893-E896 PolarHBondContact O-N 3.5Å; M893-L897 VanDerWaalsContact O-CB 3.31Å; M893-L897 WeakPolarHBondContact O-CB 3.49Å; M893-L897 VanDerWaalsContact O-CD1 3.3Å; M893-L897 WeakPolarHBondContact O-CD1 3.42Å; M893-L897 VanDerWaalsContact O-CG 3.22Å; M893-L897 WeakPolarHBondContact O-CG 3.37Å; M893-L897 PolarHBondContact O-N 3.05Å
894	I	85.6	Confident	73.4	Confident	19 Å²	19	70.4 Å²	70.4	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-40.3	173.2	-68	175.3	0	0	0	110.1	E675 A678 V890 D891 L897 R898	E675-I894 HydrophobicContact CG-CD1 3.92Å; A678-I894 HydrophobicContact CB-CD1 4.32Å; A678-I894 HydrophobicContact CB-CG1 3.51Å; V890-I894 HydrophobicContact CG1-CD1 3.54Å; V890-I894 HydrophobicContact CG1-CG1 3.92Å; V890-I894 PolarHBondContact O-N 3.01Å; D891-I894 PolarHBondContact O-N 3.45Å; I894-L897 PolarHBondContact O-N 3.17Å; I894-R898 HydrophobicContact CG2-CG 4.48Å; I894-R898 WeakPolarHBondContact O-CB 3.4Å; I894-R898 VanDerWaalsContact O-CG 3.3Å; I894-R898 WeakPolarHBondContact O-CG 3.37Å; I894-R898 PolarHBondContact O-N 3.4Å
895	A	84.2	Confident	71.8	Confident	57 Å²	57	69.4 Å²	69.4	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-45	174.1	0	0	0	0	0	112.1	D891 N892 M893 R898 S899	D891-A895 WeakPolarHBondContact O-CB 3.46Å; D891-A895 PolarHBondContact O-N 2.96Å; N892-A895 PolarHBondContact O-N 3.48Å; M893-A895 VanDerWaalsContact C-N 3.34Å; A895-R898 PolarHBondContact O-N 3.09Å; A895-S899 WeakPolarHBondContact O-CB 3.27Å; A895-S899 PolarHBondContact O-N 2.84Å
896	E	81.1	Confident	70.4	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-49.3	173.3	-172.5	179.2	168.8	0	0	110.9	Y732 N892 M893 R898 S899 W902	Y732-E896 PolarHBondContact OH-OE2 2.83Å; N892-E896 PolarHBondContact O-N 3.05Å; M893-E896 PolarHBondContact O-N 3.5Å; E896-R898 VanDerWaalsContact C-N 3.3Å; E896-R898 PolarHBondContact O-N 2.83Å; E896-S899 WeakPolarHBondContact O-CB 3.24Å; E896-S899 PolarHBondContact O-N 3.38Å; E896-S899 PolarHBondContact O-OG 3.28Å; E896-W902 HydrophobicContact CG-CB 4.45Å; E896-W902 HydrophobicContact CG-CD2 4.09Å; E896-W902 HydrophobicContact CG-CG 3.89Å; E896-W902 VanDerWaalsContact OE1-CD1 3.22Å; E896-W902 PolarHBondContact OE1-NE1 2.92Å
897	L	81.6	Confident	68.9	Low	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-34	178.7	-77.8	158.4	0	0	0	113.6	Y674 L677 A678 V729 R730 Y732 M893 I894 W902	Y674-L897 HydrophobicContact CD1-CB 4.15Å; L677-L897 HydrophobicContact CB-CD1 4.06Å; L677-L897 HydrophobicContact CB-CD2 4.03Å; L677-L897 HydrophobicContact CD1-CD2 4.33Å; A678-L897 HydrophobicContact CB-CD1 3.75Å; V729-L897 HydrophobicContact CG1-CB 4.27Å; V729-L897 HydrophobicContact CG1-CD2 3.85Å; R730-L897 WeakPolarHBondContact O-CD2 3.49Å; Y732-L897 HydrophobicContact CE2-CD2 4Å; Y732-L897 HydrophobicContact CE2-CG 4.19Å; M893-L897 VanDerWaalsContact O-CB 3.31Å; M893-L897 WeakPolarHBondContact O-CB 3.49Å; M893-L897 VanDerWaalsContact O-CD1 3.3Å; M893-L897 WeakPolarHBondContact O-CD1 3.42Å; M893-L897 VanDerWaalsContact O-CG 3.22Å; M893-L897 WeakPolarHBondContact O-CG 3.37Å; M893-L897 PolarHBondContact O-N 3.05Å; I894-L897 PolarHBondContact O-N 3.17Å; L897-W902 HydrophobicContact CB-CZ3 4.47Å; L897-W902 HydrophobicContact CD2-CH2 3.59Å; L897-W902 HydrophobicContact CD2-CZ3 3.73Å; L897-W902 HydrophobicContact CG-CH2 4.32Å; L897-W902 HydrophobicContact CG-CZ3 4.34Å
898	R	79.8	Confident	67	Low	140 Å²	140	63.2 Å²	63.2	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-82	-16.3	175.6	-74.4	178	177.2	-175.1	3.2	113.6	Y674 I894 A895 E896 W900	Y674-R898 HydrophobicContact CD1-CB 4.46Å; Y674-R898 HydrophobicContact CD1-CG 3.46Å; Y674-R898 VanDerWaalsContact CD1-CG 3.46Å; Y674-R898 HydrophobicContact CD2-CG 4.46Å; Y674-R898 HydrophobicContact CE1-CB 4.44Å; Y674-R898 HydrophobicContact CE1-CG 3.65Å; Y674-R898 HydrophobicContact CG-CG 3.92Å; I894-R898 HydrophobicContact CG2-CG 4.48Å; I894-R898 WeakPolarHBondContact O-CB 3.4Å; I894-R898 VanDerWaalsContact O-CG 3.3Å; I894-R898 WeakPolarHBondContact O-CG 3.37Å; I894-R898 PolarHBondContact O-N 3.4Å; A895-R898 PolarHBondContact O-N 3.09Å; E896-R898 VanDerWaalsContact C-N 3.3Å; E896-R898 PolarHBondContact O-N 2.83Å; R898-W900 PolarHBondContact O-N 3.23Å
899	S	72.5	Confident	65.2	Low	41 Å²	41	68.3 Å²	68.3	29%	0.287	36%	0.357	S	S	.	.			trans	-75.7	117.4	-172.8	74	0	0	0	0	111.9	A895 E896 Q901 W902 I903	A895-S899 WeakPolarHBondContact O-CB 3.27Å; A895-S899 PolarHBondContact O-N 2.84Å; E896-S899 WeakPolarHBondContact O-CB 3.24Å; E896-S899 PolarHBondContact O-N 3.38Å; E896-S899 PolarHBondContact O-OG 3.28Å; S899-Q901 PolarHBondContact O-N 3.18Å; S899-W902 WeakPolarHBondContact O-CB 3.23Å; S899-W902 PolarHBondContact O-N 2.95Å; S899-W902 WeakPolarHBondContact OG-CB 3.22Å; S899-I903 PolarHBondContact O-N 2.84Å
900	W	59	Low	63.4	Low	101 Å²	101	70.9 Å²	70.9	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-24.7	177.1	-71.5	81	0	0	0	112.4	R898 I903 F904	R898-W900 PolarHBondContact O-N 3.23Å; W900-I903 HydrophobicContact CD2-CD1 4.31Å; W900-I903 HydrophobicContact CE3-CD1 4.29Å; W900-I903 WeakPolarHBondContact O-CB 3.48Å; W900-I903 PolarHBondContact O-N 2.99Å; W900-F904 HydrophobicContact CB-CE2 4.41Å; W900-F904 AromaticContact CE3-CE2 3.85Å; W900-F904 HydrophobicContact CE3-CE2 3.85Å; W900-F904 AromaticContact CE3-CZ 3.91Å; W900-F904 HydrophobicContact CE3-CZ 3.91Å; W900-F904 HydrophobicContact CZ3-CZ 4.3Å; W900-F904 WeakPolarHBondContact O-CD2 3.35Å; W900-F904 PolarHBondContact O-N 3.28Å
901	Q	53.1	Low	61.6	Low	168 Å²	168	76 Å²	76	79%	0.785	39%	0.386	S	S	*	.	H	α-helix	trans	-60.4	-44.7	170.4	-69.6	-177.7	-8.6	0	0	111.9	S899 I903 F904 G905	S899-Q901 PolarHBondContact O-N 3.18Å; Q901-I903 VanDerWaalsContact C-N 3.27Å; Q901-I903 PolarHBondContact O-N 3.46Å; Q901-F904 CarbonylContact O-C 3.59Å; Q901-F904 PolarHBondContact O-N 2.93Å; Q901-F904 VanDerWaalsContact O-N 3.07Å; Q901-G905 WeakPolarHBondContact O-CA 3.37Å; Q901-G905 PolarHBondContact O-N 3.14Å
902	W	47.3	Very low	59.4	Low	51 Å²	51	74.6 Å²	74.6	19%	0.193	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-28.2	175.8	-178	81.3	0	0	0	112.8	R730 Y732 E896 L897 S899 F904	R730-W902 HydrophobicContact CB-CE3 3.93Å; R730-W902 HydrophobicContact CB-CH2 4.08Å; R730-W902 HydrophobicContact CB-CZ3 3.54Å; R730-W902 HydrophobicContact CG-CZ3 4.41Å; R730-W902 PolarHBondContact NH1-O 3.21Å; R730-W902 WeakPolarHBondContact O-CH2 3.4Å; R730-W902 WeakPolarHBondContact O-CZ3 3.47Å; Y732-W902 AromaticContact CD1-CZ2 3.74Å; Y732-W902 HydrophobicContact CD1-CZ2 3.74Å; Y732-W902 HydrophobicContact CD2-CH2 4.31Å; Y732-W902 HydrophobicContact CD2-CZ2 4.17Å; Y732-W902 HydrophobicContact CE1-CH2 4.41Å; Y732-W902 AromaticContact CE1-CZ2 3.51Å; Y732-W902 HydrophobicContact CE1-CZ2 3.51Å; Y732-W902 HydrophobicContact CE2-CH2 4.06Å; Y732-W902 AromaticContact CE2-CZ2 3.95Å; Y732-W902 HydrophobicContact CE2-CZ2 3.95Å; Y732-W902 HydrophobicContact CG-CZ2 4.07Å; Y732-W902 AromaticContact CZ-CZ2 3.61Å; E896-W902 HydrophobicContact CG-CB 4.45Å; E896-W902 HydrophobicContact CG-CD2 4.09Å; E896-W902 HydrophobicContact CG-CG 3.89Å; E896-W902 VanDerWaalsContact OE1-CD1 3.22Å; E896-W902 PolarHBondContact OE1-NE1 2.92Å; L897-W902 HydrophobicContact CB-CZ3 4.47Å; L897-W902 HydrophobicContact CD2-CH2 3.59Å; L897-W902 HydrophobicContact CD2-CZ3 3.73Å; L897-W902 HydrophobicContact CG-CH2 4.32Å; L897-W902 HydrophobicContact CG-CZ3 4.34Å; S899-W902 WeakPolarHBondContact O-CB 3.23Å; S899-W902 PolarHBondContact O-N 2.95Å; S899-W902 WeakPolarHBondContact OG-CB 3.22Å; W902-F904 VanDerWaalsContact C-N 3.28Å; W902-F904 PolarHBondContact O-N 2.92Å
903	I	51.3	Low	57.3	Low	5 Å²	5	73.9 Å²	73.9	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-29.9	171.1	-62	177.7	0	0	0	111.6	P712 R730 S899 W900 Q901	P712-I903 HydrophobicContact CG-CG2 3.44Å; P712-I903 VanDerWaalsContact CG-CG2 3.44Å; R730-I903 HydrophobicContact CB-CG1 4.36Å; R730-I903 PolarHBondContact NH1-O 3.1Å; S899-I903 PolarHBondContact O-N 2.84Å; W900-I903 HydrophobicContact CD2-CD1 4.31Å; W900-I903 HydrophobicContact CE3-CD1 4.29Å; W900-I903 WeakPolarHBondContact O-CB 3.48Å; W900-I903 PolarHBondContact O-N 2.99Å; Q901-I903 VanDerWaalsContact C-N 3.27Å; Q901-I903 PolarHBondContact O-N 3.46Å
904	F	48.1	Very low	54.9	Low	70 Å²	70	79.5 Å²	79.5	31%	0.307	39%	0.389	S	S	.	.	H	α-helix	trans	-110.9	-15.6	-175.8	-59.5	-49.4	0	0	0	116.8	P712 W713 W900 Q901 W902 T906	P712-F904 HydrophobicContact CG-CE1 4.13Å; W713-F904 AromaticContact CD1-CE1 3.99Å; W713-F904 HydrophobicContact CZ2-CZ 4.02Å; W713-F904 AromaticContact NE1-CE1 3.24Å; W713-F904 AromaticContact NE1-CZ 3.54Å; W900-F904 HydrophobicContact CB-CE2 4.41Å; W900-F904 AromaticContact CE3-CE2 3.85Å; W900-F904 HydrophobicContact CE3-CE2 3.85Å; W900-F904 AromaticContact CE3-CZ 3.91Å; W900-F904 HydrophobicContact CE3-CZ 3.91Å; W900-F904 HydrophobicContact CZ3-CZ 4.3Å; W900-F904 WeakPolarHBondContact O-CD2 3.35Å; W900-F904 PolarHBondContact O-N 3.28Å; Q901-F904 CarbonylContact O-C 3.59Å; Q901-F904 PolarHBondContact O-N 2.93Å; Q901-F904 VanDerWaalsContact O-N 3.07Å; W902-F904 VanDerWaalsContact C-N 3.28Å; W902-F904 PolarHBondContact O-N 2.92Å; F904-T906 CarbonylContact O-C 3.48Å; F904-T906 PolarHBondContact O-N 2.85Å
905	G	41.9	Very low	52.4	Low	65 Å²	65	83 Å²	83	67%	0.67	41%	0.413	S	S	*	.	S	Bend	trans	-62.6	3.3	-168.1	0	0	0	0	0	118.2	Q901	Q901-G905 WeakPolarHBondContact O-CA 3.37Å; Q901-G905 PolarHBondContact O-N 3.14Å
906	T	42.8	Very low	49.9	Very low	92 Å²	92	86.9 Å²	86.9	56%	0.564	42%	0.424	S	S	*	.	S	Bend	trans	-136.3	111.3	159.2	39.7	0	0	0	0	107.7	R730 F904	R730-T906 PolarHBondContact NH2-OG1 2.87Å; F904-T906 CarbonylContact O-C 3.48Å; F904-T906 PolarHBondContact O-N 2.85Å
907	T	39.5	Very low	47.6	Very low	72 Å²	72	94.6 Å²	94.6	44%	0.442	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.1	121.3	-167.3	52.2	0	0	0	0	112.5	Y932	T907-Y932 HydrophobicContact CG2-CD1 4.18Å; T907-Y932 HydrophobicContact CG2-CE1 3.94Å
908	P	41.9	Very low	45.2	Very low	39 Å²	39	100.5 Å²	100.5	25%	0.253	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-72.4	140.4	177.6	27	-32.2	0	0	0	112.3	N711	N711-P908 HydrophobicContact CB-CB 3.48Å; N711-P908 VanDerWaalsContact CB-CB 3.48Å; N711-P908 HydrophobicContact CB-CG 3.9Å; N711-P908 WeakPolarHBondContact OD1-CG 3.4Å
909	R	42.3	Very low	42.9	Very low	190 Å²	190	97 Å²	97	72%	0.717	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-89	137.9	176.9	-64.7	177.7	172.4	-162.5	-9	111.1
910	F	43.9	Very low	40.9	Very low	77 Å²	77	106.3 Å²	106.3	34%	0.338	53%	0.528	S	S	.	.			trans	-148.5	168.3	172.7	58.3	-85.6	0	0	0	111.4	T714 V832 I912	T714-F910 HydrophobicContact CG2-CB 4.13Å; T714-F910 HydrophobicContact CG2-CG 4.46Å; V832-F910 HydrophobicContact CG1-CB 4.27Å; F910-I912 HydrophobicContact CD2-CG1 4.5Å; F910-I912 HydrophobicContact CE2-CD1 4.49Å
911	H	43.4	Very low	39.6	Very low	108 Å²	108	107.3 Å²	107.3	50%	0.5	55%	0.55	S	S	.	*			trans	-140.1	146.7	-175.2	-55.9	-46.9	0	0	0	109.7	V832	V832-H911 VanDerWaalsContact CA-O 3.31Å; V832-H911 WeakPolarHBondContact CA-O 3.42Å
912	I	40.2	Very low	38.7	Very low	49 Å²	49	104.5 Å²	104.5	25%	0.251	55%	0.549	S	S	.	.	B	Isolated β-bridge	trans	-123.6	106.5	-176.7	-53.4	172.3	0	0	0	110.6	V832 F910 T926	V832-I912 HydrophobicContact CG2-CG1 4.19Å; F910-I912 HydrophobicContact CD2-CG1 4.5Å; F910-I912 HydrophobicContact CE2-CD1 4.49Å; I912-T926 WeakPolarHBondContact O-CA 3.34Å; I912-T926 WeakPolarHBondContact O-CB 3.16Å; I912-T926 WeakPolarHBondContact O-CG2 3.47Å
913	K	39.5	Very low	38.3	Very low	99 Å²	99	106.5 Å²	106.5	43%	0.43	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-85.6	124.8	174.9	-64.3	170.9	-180	169.9	0	111.9	G831 E833 T926	G831-K913 PolarHBondContact O-N 2.98Å; E833-K913 IonicContact OE2-NZ 3.16Å; E833-K913 PolarHBondContact OE2-NZ 3.49Å; K913-T926 HydrophobicContact CG-CG2 4.45Å
914	R	34.6	Very low	37.4	Very low	147 Å²	147	111 Å²	111	56%	0.555	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-63.7	140.7	171.2	-73.7	-173.9	173	-153.7	-4.3	111.4	Q924	R914-Q924 PolarHBondContact O-NE2 3.18Å
915	P	33.1	Very low	36.8	Very low	92 Å²	92	117.7 Å²	117.7	60%	0.597	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-63	142.6	175.9	26.5	-34.1	0	0	0	111.7	F830 R917	F830-P915 HydrophobicContact CD1-CB 4.09Å; F830-P915 HydrophobicContact CD1-CG 4.39Å; F830-P915 HydrophobicContact CE1-CB 4.19Å; P915-R917 PolarHBondContact O-N 3.08Å
916	I	31.1	Very low	36.3	Very low	139 Å²	139	117.9 Å²	117.9	71%	0.713	61%	0.609	S	S	*	*			trans	-82.2	102.1	-175.8	-56.7	168.1	0	0	0	109.3
917	R	33.3	Very low	36	Very low	240 Å²	240	118.5 Å²	118.5	91%	0.906	61%	0.608	S	S	*	*			trans	-74.2	139.9	155.3	-86.3	-172.4	171.4	176.7	-1.5	109.1	P915 G919	P915-R917 PolarHBondContact O-N 3.08Å; R917-G919 PolarHBondContact O-N 3.41Å
918	S	30.2	Very low	35.6	Very low	125 Å²	125	122.3 Å²	122.3	87%	0.874	62%	0.615	S	S	*	*	S	Bend	trans	-71.2	106.9	-173.9	50.5	0	0	0	0	112.1
919	G	31.2	Very low	35.4	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	62%	0.622	S	S	*	*	S	Bend	trans	165.9	113.9	172.4	0	0	0	0	0	114	R917 S921	R917-G919 PolarHBondContact O-N 3.41Å; G919-S921 PolarHBondContact O-N 2.87Å
920	R	30.3	Very low	35.1	Very low	237 Å²	237	116.7 Å²	116.7	89%	0.894	60%	0.598	S	S	*	*	S	Bend	trans	23.2	92.3	160.8	-67.5	-177.9	176.1	172.5	-1.1	118	S922	R920-S922 PolarHBondContact O-N 3.04Å
921	S	33.3	Very low	34.7	Very low	121 Å²	121	117.6 Å²	117.6	85%	0.846	61%	0.61	S	S	*	*			trans	45.5	68.3	130.2	62.1	0	0	0	0	118.1	G919	G919-S921 PolarHBondContact O-N 2.87Å
922	S	34.6	Very low	34	Very low	110 Å²	110	116 Å²	116	77%	0.769	60%	0.6	S	S	*	*			trans	-129.7	146.5	144.9	55.6	0	0	0	0	108.6	R920 Q924	R920-S922 PolarHBondContact O-N 3.04Å; S922-Q924 PolarHBondContact O-N 3.28Å
923	A	37	Very low	33.4	Very low	93 Å²	93	121.6 Å²	121.6	77%	0.769	63%	0.625	S	S	*	*			trans	-65.5	131.7	-166.6	0	0	0	0	0	111.9	R925	A923-R925 PolarHBondContact O-N 3.22Å
924	Q	33.5	Very low	33.1	Very low	100 Å²	100	120.1 Å²	120.1	47%	0.467	64%	0.638	S	S	.	*			trans	-61.9	95.4	178.3	-67.7	169.6	-83.8	0	0	110.3	R914 S922 T926	R914-Q924 PolarHBondContact O-NE2 3.18Å; S922-Q924 PolarHBondContact O-N 3.28Å; Q924-T926 WeakPolarHBondContact O-CG2 3.37Å; Q924-T926 PolarHBondContact O-N 2.93Å
925	R	35	Very low	32.8	Very low	210 Å²	210	120.4 Å²	120.4	79%	0.792	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-62	118.2	176.6	-66.9	-174.7	179.5	-177.6	-0.1	109.5	A923	A923-R925 PolarHBondContact O-N 3.22Å
926	T	32.4	Very low	32.7	Very low	68 Å²	68	120.7 Å²	120.7	42%	0.417	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-103.8	120	-178.7	54.9	0	0	0	0	109.6	I912 K913 Q924 R928	I912-T926 WeakPolarHBondContact O-CA 3.34Å; I912-T926 WeakPolarHBondContact O-CB 3.16Å; I912-T926 WeakPolarHBondContact O-CG2 3.47Å; K913-T926 HydrophobicContact CG-CG2 4.45Å; Q924-T926 WeakPolarHBondContact O-CG2 3.37Å; Q924-T926 PolarHBondContact O-N 2.93Å; T926-R928 PolarHBondContact O-N 3.29Å
927	L	35.2	Very low	32.5	Very low	106 Å²	106	120.9 Å²	120.9	56%	0.555	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-70.1	130.3	176.2	-75.4	165.2	0	0	0	109.4
928	R	32	Very low	32.3	Very low	151 Å²	151	115.3 Å²	115.3	57%	0.57	62%	0.621	S	S	*	*			trans	-105.6	122.9	167.6	-67.8	-178.2	177	-167.4	0.7	107.2	E207 T926	E207-R928 IonicContact OE1-CZ 3.31Å; E207-R928 IonicContact OE1-NH1 2.68Å; E207-R928 PolarHBondContact OE1-NH1 2.82Å; E207-R928 IonicContact OE1-NH2 3.39Å; T926-R928 PolarHBondContact O-N 3.29Å
929	I	37.5	Very low	32.5	Very low	78 Å²	78	112.9 Å²	112.9	40%	0.4	60%	0.601	S	S	.	*			trans	-117.7	127	171.2	-59.4	176	0	0	0	107.1	V931 F954	I929-V931 HydrophobicContact CG2-CG2 4.22Å; I929-F954 HydrophobicContact CD1-CE1 4.34Å; I929-F954 HydrophobicContact CD1-CZ 4.01Å
930	S	34.9	Very low	32.6	Very low	33 Å²	33	111.4 Å²	111.4	23%	0.231	58%	0.578	C	S	.	*			trans	-132.3	100.2	-178.7	53.9	0	0	0	0	110	S206	S206-S930 WeakPolarHBondContact CB-OG 3.13Å
931	V	35.6	Very low	32.8	Very low	96 Å²	96	104.7 Å²	104.7	58%	0.582	56%	0.559	S	S	*	*			trans	-90.5	119.9	178.2	-175.9	0	0	0	0	109.1	I929	I929-V931 HydrophobicContact CG2-CG2 4.22Å
932	Y	29.5	Very low	32.7	Very low	74 Å²	74	104.9 Å²	104.9	29%	0.29	55%	0.551	S	S	.	*			trans	-104.2	145.7	167.7	-68.4	-84.3	0	0	0	109	S206 A209 T907	S206-Y932 WeakPolarHBondContact CA-OH 3.34Å; S206-Y932 PolarHBondContact O-OH 2.98Å; A209-Y932 HydrophobicContact CB-CD1 4.49Å; A209-Y932 HydrophobicContact CB-CE1 3.69Å; A209-Y932 HydrophobicContact CB-CE2 4.47Å; T907-Y932 HydrophobicContact CG2-CD1 4.18Å; T907-Y932 HydrophobicContact CG2-CE1 3.94Å
933	H	28.1	Very low	32.5	Very low	168 Å²	168	108.1 Å²	108.1	78%	0.778	55%	0.554	S	S	*	*			trans	-141	143.1	-178.6	-155.2	65.9	0	0	0	110.5
934	G	31.8	Very low	32.3	Very low	68 Å²	68	110.6 Å²	110.6	70%	0.701	55%	0.553	S	S	*	*	S	Bend	trans	147.1	-60.8	-172.2	0	0	0	0	0	110.9
935	I	29	Very low	32.4	Very low	152 Å²	152	108.4 Å²	108.4	78%	0.779	55%	0.548	S	S	*	.	S	Bend	trans	-137.7	129.9	167.7	-58.5	-179.8	0	0	0	107	E937	I935-E937 PolarHBondContact O-N 2.73Å
936	I	30.7	Very low	32.7	Very low	99 Å²	99	105 Å²	105	51%	0.508	55%	0.546	S	S	.	.			trans	-93.5	86.3	-171.7	-51.6	176.3	0	0	0	110.1	V939 L963	I936-V939 HydrophobicContact CG2-CG2 4.45Å; I936-L963 HydrophobicContact CD1-CD1 4.46Å
937	E	28.1	Very low	33.1	Very low	142 Å²	142	107.1 Å²	107.1	66%	0.664	56%	0.555	S	S	*	*	S	Bend	trans	-113.6	-17.5	164.4	-72	-174.2	147.7	0	0	112.5	I935	I935-E937 PolarHBondContact O-N 2.73Å
938	R	28.4	Very low	33.1	Very low	124 Å²	124	109.4 Å²	109.4	47%	0.468	56%	0.562	S	S	.	*			trans	-137.5	78.4	-150.6	-60.2	-139.3	93.1	157.9	-5.2	112.6	E205	E205-R938 HydrophobicContact CB-CB 4.46Å; E205-R938 HydrophobicContact CG-CB 4.41Å; E205-R938 VanDerWaalsContact CG-NE 3.33Å; E205-R938 IonicContact OE1-CZ 3.97Å; E205-R938 IonicContact OE1-NE 2.7Å; E205-R938 PolarHBondContact OE1-NE 2.74Å; E205-R938 IonicContact OE1-NH2 3.67Å; E205-R938 PolarHBondContact OE1-NH2 2.82Å; E205-R938 WeakPolarHBondContact OE2-CA 3.44Å; E205-R938 WeakPolarHBondContact OE2-CB 3.35Å; E205-R938 IonicContact OE2-NE 2.71Å
939	V	34.5	Very low	33.5	Very low	73 Å²	73	110 Å²	110	44%	0.442	57%	0.569	S	S	.	*			trans	-117.1	87	174.2	-177.8	0	0	0	0	109.3	I936 I941	I936-V939 HydrophobicContact CG2-CG2 4.45Å; V939-I941 HydrophobicContact CG1-CG1 4.48Å; V939-I941 PolarHBondContact O-N 3.48Å
940	V	32.6	Very low	33.8	Very low	37 Å²	37	113.4 Å²	113.4	22%	0.224	58%	0.584	C	S	.	*			trans	-72.6	98.6	175.2	-166.6	0	0	0	0	111.2	E205 N942	E205-V940 HydrophobicContact CB-CG2 3.78Å; E205-V940 HydrophobicContact CG-CG2 3.6Å; E205-V940 WeakPolarHBondContact OE2-CG2 3.22Å; V940-N942 WeakPolarHBondContact CG1-OD1 3.31Å
941	I	34.4	Very low	34.2	Very low	95 Å²	95	114.6 Å²	114.6	49%	0.487	59%	0.587	S	S	.	*			trans	-90	103.6	151	-59.1	175.1	0	0	0	105.7	V939 E943	V939-I941 HydrophobicContact CG1-CG1 4.48Å; V939-I941 PolarHBondContact O-N 3.48Å; I941-E943 PolarHBondContact O-N 3.3Å
942	N	32.3	Very low	34.2	Very low	125 Å²	125	112.9 Å²	112.9	67%	0.668	58%	0.576	S	S	*	*			trans	-63.2	135.3	170.5	-89.6	12.9	0	0	0	108.8	V940	V940-N942 WeakPolarHBondContact CG1-OD1 3.31Å
943	E	29.6	Very low	34.9	Very low	178 Å²	178	116.1 Å²	116.1	83%	0.832	59%	0.592	S	S	*	*	S	Bend	trans	-62	169.4	-166.8	-54.5	163.2	124.6	0	0	114.7	I941	I941-E943 PolarHBondContact O-N 3.3Å
944	L	32.6	Very low	35.7	Very low	145 Å²	145	113.7 Å²	113.7	76%	0.759	58%	0.579	S	S	*	*			trans	66.6	72.2	168.3	-58.1	169.7	0	0	0	114.9
945	C	35.8	Very low	36.2	Very low	54 Å²	54	111.8 Å²	111.8	37%	0.365	55%	0.553	S	S	.	*			trans	-116.4	104.4	147.4	-163.6	0	0	0	0	107.2	D947 I951	C945-D947 PolarHBondContact O-N 3.43Å; C945-D947 VanDerWaalsContact O-N 3.14Å; C945-I951 HydrophobicContact CB-CD1 3.69Å
946	D	42.9	Very low	36.6	Very low	140 Å²	140	110.6 Å²	110.6	75%	0.749	54%	0.544	S	S	*	.	S	Bend	trans	-70.6	-12.8	-165	-47.2	-44.9	0	0	0	113.8	E948	D946-E948 PolarHBondContact O-N 2.93Å
947	D	40	Very low	37.5	Very low	112 Å²	112	109.9 Å²	109.9	60%	0.599	55%	0.553	S	S	*	*			trans	-87.8	73.4	172.8	-71.3	-61	0	0	0	111.5	C945 K949 E950	C945-D947 PolarHBondContact O-N 3.43Å; C945-D947 VanDerWaalsContact O-N 3.14Å; D947-K949 PolarHBondContact O-N 3.21Å; D947-E950 PolarHBondContact O-N 2.88Å
948	E	34.8	Very low	38.4	Very low	153 Å²	153	112 Å²	112	72%	0.715	55%	0.554	S	S	*	*	H	α-helix	trans	-44.7	-39.5	175	-71.8	-175.3	126.2	0	0	112.3	D946 E950 I951 T952	D946-E948 PolarHBondContact O-N 2.93Å; E948-E950 PolarHBondContact O-N 3.34Å; E948-I951 CarbonylContact O-C 3.58Å; E948-I951 PolarHBondContact O-N 3.22Å; E948-T952 PolarHBondContact O-N 3.3Å; E948-T952 PolarHBondContact O-OG1 2.9Å
949	K	40.4	Very low	39.3	Very low	165 Å²	165	110.8 Å²	110.8	72%	0.717	55%	0.553	S	S	*	*	H	α-helix	trans	-65.1	-15.6	-175.2	-65.1	175.1	-178	170.3	0	115.4	D947 K953	D947-K949 PolarHBondContact O-N 3.21Å; K949-K953 VanDerWaalsContact O-CD 3.31Å; K949-K953 WeakPolarHBondContact O-CD 3.15Å; K949-K953 VanDerWaalsContact O-CG 3.32Å; K949-K953 WeakPolarHBondContact O-CG 3.35Å
950	E	44.8	Very low	39.9	Very low	149 Å²	149	113.1 Å²	113.1	70%	0.696	56%	0.563	S	S	*	*	H	α-helix	trans	-90	-33.7	168.2	-68.2	-155.2	151.5	0	0	111.7	D947 E948 F954	D947-E950 PolarHBondContact O-N 2.88Å; E948-E950 PolarHBondContact O-N 3.34Å; E950-F954 WeakPolarHBondContact O-CB 3.22Å; E950-F954 PolarHBondContact O-N 3.45Å; E950-F954 VanDerWaalsContact O-N 3.1Å
951	I	42.1	Very low	40.4	Very low	58 Å²	58	115.3 Å²	115.3	30%	0.297	58%	0.58	S	S	.	*	H	α-helix	trans	-73.5	-44.3	177.5	-68.8	-174.7	0	0	0	111.4	C945 E948 K953 F954 I955	C945-I951 HydrophobicContact CB-CD1 3.69Å; E948-I951 CarbonylContact O-C 3.58Å; E948-I951 PolarHBondContact O-N 3.22Å; I951-K953 PolarHBondContact O-N 2.78Å; I951-F954 WeakPolarHBondContact O-CB 3.08Å; I951-F954 PolarHBondContact O-N 3.45Å; I951-F954 VanDerWaalsContact O-N 3.09Å; I951-I955 HydrophobicContact CG2-CD1 3.71Å; I951-I955 HydrophobicContact CG2-CG1 4.38Å; I951-I955 WeakPolarHBondContact O-CG1 3.39Å; I951-I955 PolarHBondContact O-N 2.67Å
952	T	36.7	Very low	40.8	Very low	59 Å²	59	118.2 Å²	118.2	36%	0.362	59%	0.591	S	S	.	*	H	α-helix	trans	-58.5	-50	176.8	62.2	0	0	0	0	110.2	E948 F954 I955 E956	E948-T952 PolarHBondContact O-N 3.3Å; E948-T952 PolarHBondContact O-OG1 2.9Å; T952-F954 VanDerWaalsContact C-N 3.26Å; T952-F954 PolarHBondContact O-N 2.97Å; T952-I955 CarbonylContact O-C 3.6Å; T952-I955 PolarHBondContact O-N 2.62Å; T952-E956 WeakPolarHBondContact CB-OE1 3.19Å; T952-E956 VanDerWaalsContact O-CB 3.28Å; T952-E956 WeakPolarHBondContact O-CB 3.12Å; T952-E956 WeakPolarHBondContact O-CG 3.36Å; T952-E956 PolarHBondContact O-N 2.85Å
953	K	44.2	Very low	41.4	Very low	142 Å²	142	115.2 Å²	115.2	62%	0.617	58%	0.575	S	S	*	*	H	α-helix	trans	-57.2	-34.6	174.4	-72.3	-178.9	-176.2	175.7	0	114	K949 I951 I955 A957	K949-K953 VanDerWaalsContact O-CD 3.31Å; K949-K953 WeakPolarHBondContact O-CD 3.15Å; K949-K953 VanDerWaalsContact O-CG 3.32Å; K949-K953 WeakPolarHBondContact O-CG 3.35Å; I951-K953 PolarHBondContact O-N 2.78Å; K953-I955 VanDerWaalsContact C-N 3.34Å; K953-A957 WeakPolarHBondContact O-CB 3.21Å; K953-A957 PolarHBondContact O-N 3.37Å
954	F	45.2	Very low	42.2	Very low	118 Å²	118	109.1 Å²	109.1	52%	0.518	55%	0.548	S	S	.	.	H	α-helix	trans	-70	-30.9	176.7	175.2	-93.7	0	0	0	112.5	I929 E950 I951 T952	I929-F954 HydrophobicContact CD1-CE1 4.34Å; I929-F954 HydrophobicContact CD1-CZ 4.01Å; E950-F954 WeakPolarHBondContact O-CB 3.22Å; E950-F954 PolarHBondContact O-N 3.45Å; E950-F954 VanDerWaalsContact O-N 3.1Å; I951-F954 WeakPolarHBondContact O-CB 3.08Å; I951-F954 PolarHBondContact O-N 3.45Å; I951-F954 VanDerWaalsContact O-N 3.09Å; T952-F954 VanDerWaalsContact C-N 3.26Å; T952-F954 PolarHBondContact O-N 2.97Å
955	I	41.3	Very low	42.7	Very low	28 Å²	28	109.1 Å²	109.1	14%	0.144	54%	0.544	C	S	.	.	H	α-helix	trans	-89.6	-48.2	-179.9	-57.7	171	0	0	0	111.1	I951 T952 K953 A957 R958 F959 L964	I951-I955 HydrophobicContact CG2-CD1 3.71Å; I951-I955 HydrophobicContact CG2-CG1 4.38Å; I951-I955 WeakPolarHBondContact O-CG1 3.39Å; I951-I955 PolarHBondContact O-N 2.67Å; T952-I955 CarbonylContact O-C 3.6Å; T952-I955 PolarHBondContact O-N 2.62Å; K953-I955 VanDerWaalsContact C-N 3.34Å; I955-A957 PolarHBondContact O-N 3.03Å; I955-R958 PolarHBondContact O-N 3.36Å; I955-F959 HydrophobicContact CB-CD2 4.4Å; I955-F959 HydrophobicContact CG2-CB 4.13Å; I955-F959 HydrophobicContact CG2-CD2 3.74Å; I955-F959 HydrophobicContact CG2-CG 4.27Å; I955-F959 PolarHBondContact O-N 2.94Å; I955-L964 HydrophobicContact CG2-CD1 3.63Å
956	E	37.1	Very low	43.3	Very low	127 Å²	127	110.9 Å²	110.9	59%	0.593	55%	0.553	S	S	*	*	H	α-helix	trans	-49.8	-40.3	173.8	-73.4	165.2	-172.8	0	0	112.1	T952 R958	T952-E956 WeakPolarHBondContact CB-OE1 3.19Å; T952-E956 VanDerWaalsContact O-CB 3.28Å; T952-E956 WeakPolarHBondContact O-CB 3.12Å; T952-E956 WeakPolarHBondContact O-CG 3.36Å; T952-E956 PolarHBondContact O-N 2.85Å; E956-R958 PolarHBondContact O-N 2.79Å
957	A	49	Very low	43.3	Very low	83 Å²	83	106.2 Å²	106.2	69%	0.686	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	5.1	179.8	0	0	0	0	0	114.4	K953 I955	K953-A957 WeakPolarHBondContact O-CB 3.21Å; K953-A957 PolarHBondContact O-N 3.37Å; I955-A957 PolarHBondContact O-N 3.03Å
958	R	48.4	Very low	43.6	Very low	186 Å²	186	104.7 Å²	104.7	70%	0.702	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154	-11.5	-167.2	-138.9	173.8	-173.1	88.4	1.3	118.4	I955 E956	I955-R958 PolarHBondContact O-N 3.36Å; E956-R958 PolarHBondContact O-N 2.79Å
959	F	46.1	Very low	43.9	Very low	100 Å²	100	100 Å²	100	44%	0.439	51%	0.506	S	S	.	.	S	Bend	trans	-131.5	152.6	-178.3	-64.5	-85.7	0	0	0	112	I955 L963	I955-F959 HydrophobicContact CB-CD2 4.4Å; I955-F959 HydrophobicContact CG2-CB 4.13Å; I955-F959 HydrophobicContact CG2-CD2 3.74Å; I955-F959 HydrophobicContact CG2-CG 4.27Å; I955-F959 PolarHBondContact O-N 2.94Å; F959-L963 HydrophobicContact CD1-CD2 4.15Å
960	D	48.3	Very low	43.9	Very low	122 Å²	122	98.4 Å²	98.4	65%	0.652	50%	0.496	S	S	*	.			trans	-77.4	152.7	-177.5	-143.6	-31.5	0	0	0	111.9	E962 L963 L964	D960-E962 PolarHBondContact O-N 2.99Å; D960-L963 WeakPolarHBondContact O-CB 3.28Å; D960-L963 PolarHBondContact O-N 3.2Å; D960-L963 VanDerWaalsContact O-N 3.14Å; D960-L964 PolarHBondContact O-N 3.31Å
961	S	43.7	Very low	43.6	Very low	82 Å²	82	94.8 Å²	94.8	57%	0.573	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-37.9	-166.1	55.6	0	0	0	0	113.9	L963 L964 E965	S961-L963 VanDerWaalsContact C-N 3.27Å; S961-L963 PolarHBondContact O-N 3.1Å; S961-L964 WeakPolarHBondContact O-CB 3.43Å; S961-L964 PolarHBondContact O-N 2.76Å; S961-E965 PolarHBondContact O-N 2.68Å
962	E	41.8	Very low	43.6	Very low	156 Å²	156	98.9 Å²	98.9	73%	0.729	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-34.4	174.4	-60.5	-176.6	159.7	0	0	111.5	D960 E965 T966	D960-E962 PolarHBondContact O-N 2.99Å; E962-E965 PolarHBondContact O-N 3.03Å; E962-T966 PolarHBondContact O-N 3.19Å; E962-T966 VanDerWaalsContact O-N 3.1Å; E962-T966 PolarHBondContact O-OG1 3.21Å
963	L	45.8	Very low	43.4	Very low	62 Å²	62	106.7 Å²	106.7	33%	0.325	53%	0.531	S	S	.	.	H	α-helix	trans	-74.2	-31.2	178.4	-159.1	148.7	0	0	0	111	I936 F959 D960 S961 T966 I967	I936-L963 HydrophobicContact CD1-CD1 4.46Å; F959-L963 HydrophobicContact CD1-CD2 4.15Å; D960-L963 WeakPolarHBondContact O-CB 3.28Å; D960-L963 PolarHBondContact O-N 3.2Å; D960-L963 VanDerWaalsContact O-N 3.14Å; S961-L963 VanDerWaalsContact C-N 3.27Å; S961-L963 PolarHBondContact O-N 3.1Å; L963-T966 PolarHBondContact O-OG1 3.19Å; L963-I967 HydrophobicContact CD2-CD1 3.73Å; L963-I967 WeakPolarHBondContact O-CG1 3.34Å; L963-I967 PolarHBondContact O-N 3.09Å
964	L	46.1	Very low	43	Very low	50 Å²	50	106.6 Å²	106.6	26%	0.262	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-48.4	167.9	179.6	69.5	0	0	0	111.6	I955 D960 S961 T966 I967 I968	I955-L964 HydrophobicContact CG2-CD1 3.63Å; D960-L964 PolarHBondContact O-N 3.31Å; S961-L964 WeakPolarHBondContact O-CB 3.43Å; S961-L964 PolarHBondContact O-N 2.76Å; L964-T966 PolarHBondContact O-N 2.81Å; L964-I967 PolarHBondContact O-N 3.35Å; L964-I968 HydrophobicContact CD1-CD1 3.91Å; L964-I968 HydrophobicContact CD1-CG1 4.29Å; L964-I968 HydrophobicContact CD2-CD1 4.36Å; L964-I968 HydrophobicContact CG-CD1 3.78Å; L964-I968 HydrophobicContact CG-CG1 4.44Å; L964-I968 WeakPolarHBondContact O-CG1 3.37Å; L964-I968 PolarHBondContact O-N 3.39Å
965	E	43.2	Very low	42.9	Very low	145 Å²	145	106 Å²	106	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-60.9	-42.6	-180	-74.6	-163.2	156.6	0	0	112.5	S961 E962 I967 I968 A969	S961-E965 PolarHBondContact O-N 2.68Å; E962-E965 PolarHBondContact O-N 3.03Å; E965-I967 VanDerWaalsContact C-N 3.32Å; E965-I967 PolarHBondContact O-N 2.85Å; E965-I968 PolarHBondContact O-N 2.97Å; E965-A969 VanDerWaalsContact O-CB 3.23Å; E965-A969 WeakPolarHBondContact O-CB 3.43Å; E965-A969 PolarHBondContact O-N 3.17Å
966	T	46.9	Very low	43	Very low	92 Å²	92	110.1 Å²	110.1	56%	0.564	57%	0.565	S	S	*	*	H	α-helix	trans	-63.5	-35.4	176.9	53.4	0	0	0	0	113.2	E962 L963 L964 Y970	E962-T966 PolarHBondContact O-N 3.19Å; E962-T966 VanDerWaalsContact O-N 3.1Å; E962-T966 PolarHBondContact O-OG1 3.21Å; L963-T966 PolarHBondContact O-OG1 3.19Å; L964-T966 PolarHBondContact O-N 2.81Å; T966-Y970 WeakPolarHBondContact O-CB 3.09Å; T966-Y970 PolarHBondContact O-N 3.27Å; T966-Y970 VanDerWaalsContact O-N 3.13Å
967	I	44.5	Very low	43.3	Very low	41 Å²	41	109.2 Å²	109.2	21%	0.21	56%	0.563	C	S	.	*	H	α-helix	trans	-68.7	-47.2	173.8	-68.9	171	0	0	0	110.6	L963 L964 E965 A969 Y970 C971	L963-I967 HydrophobicContact CD2-CD1 3.73Å; L963-I967 WeakPolarHBondContact O-CG1 3.34Å; L963-I967 PolarHBondContact O-N 3.09Å; L964-I967 PolarHBondContact O-N 3.35Å; E965-I967 VanDerWaalsContact C-N 3.32Å; E965-I967 PolarHBondContact O-N 2.85Å; I967-A969 PolarHBondContact O-N 3.06Å; I967-Y970 PolarHBondContact O-N 3.4Å; I967-C971 PolarHBondContact O-N 3.45Å; I967-C971 PolarHBondContact O-SG 3.48Å
968	I	45.1	Very low	43	Very low	81 Å²	81	110.7 Å²	110.7	42%	0.415	56%	0.556	S	S	.	*	H	α-helix	trans	-62.7	-44	179	-67.6	173.8	0	0	0	110.9	L964 E965 Y970 C971 L972	L964-I968 HydrophobicContact CD1-CD1 3.91Å; L964-I968 HydrophobicContact CD1-CG1 4.29Å; L964-I968 HydrophobicContact CD2-CD1 4.36Å; L964-I968 HydrophobicContact CG-CD1 3.78Å; L964-I968 HydrophobicContact CG-CG1 4.44Å; L964-I968 WeakPolarHBondContact O-CG1 3.37Å; L964-I968 PolarHBondContact O-N 3.39Å; E965-I968 PolarHBondContact O-N 2.97Å; I968-Y970 VanDerWaalsContact C-N 3.26Å; I968-Y970 PolarHBondContact O-N 3Å; I968-C971 CarbonylContact O-C 3.59Å; I968-C971 PolarHBondContact O-N 3.33Å; I968-L972 HydrophobicContact CG2-CD1 3.74Å; I968-L972 HydrophobicContact CG2-CG 4.25Å; I968-L972 WeakPolarHBondContact O-CB 3.46Å; I968-L972 WeakPolarHBondContact O-CG 3.32Å; I968-L972 PolarHBondContact O-N 3.5Å
969	A	41.4	Very low	42.6	Very low	54 Å²	54	106 Å²	106	45%	0.446	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-24.6	177.9	0	0	0	0	0	113.5	E965 I967 R973	E965-A969 VanDerWaalsContact O-CB 3.23Å; E965-A969 WeakPolarHBondContact O-CB 3.43Å; E965-A969 PolarHBondContact O-N 3.17Å; I967-A969 PolarHBondContact O-N 3.06Å; A969-R973 WeakPolarHBondContact O-CG 3.31Å
970	Y	40.6	Very low	42.4	Very low	131 Å²	131	106.4 Å²	106.4	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-75.1	-49.5	169.1	-173.2	-93	0	0	0	110.9	T966 I967 I968 L972 R973 T974	T966-Y970 WeakPolarHBondContact O-CB 3.09Å; T966-Y970 PolarHBondContact O-N 3.27Å; T966-Y970 VanDerWaalsContact O-N 3.13Å; I967-Y970 PolarHBondContact O-N 3.4Å; I968-Y970 VanDerWaalsContact C-N 3.26Å; I968-Y970 PolarHBondContact O-N 3Å; Y970-L972 PolarHBondContact O-N 3.28Å; Y970-R973 PolarHBondContact O-N 3.14Å; Y970-T974 HydrophobicContact CD1-CG2 4.18Å; Y970-T974 HydrophobicContact CE1-CG2 3.79Å; Y970-T974 PolarHBondContact O-N 3.25Å; Y970-T974 PolarHBondContact O-OG1 2.84Å
971	C	37.8	Very low	42	Very low	73 Å²	73	105.3 Å²	105.3	49%	0.493	55%	0.547	S	S	.	.	H	α-helix	trans	-65	-18.4	178.1	-68.4	0	0	0	0	114.7	I967 I968 T974	I967-C971 PolarHBondContact O-N 3.45Å; I967-C971 PolarHBondContact O-SG 3.48Å; I968-C971 CarbonylContact O-C 3.59Å; I968-C971 PolarHBondContact O-N 3.33Å; C971-T974 PolarHBondContact O-OG1 3.22Å
972	L	41.6	Very low	41.9	Very low	144 Å²	144	107.1 Å²	107.1	75%	0.754	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-3.4	171.4	-69.7	174.5	0	0	0	113.7	I968 Y970	I968-L972 HydrophobicContact CG2-CD1 3.74Å; I968-L972 HydrophobicContact CG2-CG 4.25Å; I968-L972 WeakPolarHBondContact O-CB 3.46Å; I968-L972 WeakPolarHBondContact O-CG 3.32Å; I968-L972 PolarHBondContact O-N 3.5Å; Y970-L972 PolarHBondContact O-N 3.28Å
973	R	34.4	Very low	41.9	Very low	224 Å²	224	103 Å²	103	85%	0.845	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-20.3	174.4	-83.3	-179.9	172.3	178.6	1	113.6	A969 Y970	A969-R973 WeakPolarHBondContact O-CG 3.31Å; Y970-R973 PolarHBondContact O-N 3.14Å
974	T	35	Very low	41.5	Very low	139 Å²	139	106.7 Å²	106.7	85%	0.853	55%	0.549	S	S	*	.			trans	-86.5	0	174.5	52.7	0	0	0	0	111.2	Y970 C971	Y970-T974 HydrophobicContact CD1-CG2 4.18Å; Y970-T974 HydrophobicContact CE1-CG2 3.79Å; Y970-T974 PolarHBondContact O-N 3.25Å; Y970-T974 PolarHBondContact O-OG1 2.84Å; C971-T974 PolarHBondContact O-OG1 3.22Å

Retrieved 974 of 974 residues in 218.9 ms (Link to these results)

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