A0A077ZIK3_TRITR Loading...

Putative GTP diphosphokinase RSH1, chloroplastic

AlphaFold DB , UniProt , Accession A0A077ZIK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,178 aa.

						>A0A077ZIK3_TRITR|A0A077ZIK3
MAQFYSAKRRTTTRQIITVSVNDLDSFGQGVARHNGKALFIPGLLPQENAEVTVTEDKKQYARAKVVRRLSDSPERETPRCPHFGVCGGCQQQHASVDLQQRSKSAALARLMKHEVSEVIADVPWGYRRRARLSLNYLPKTQQLQMGFRKAGSSDIVDVKQCPILVPQLEALLPKVRACLGSLQAIRHLGHVELVQATSGTLMILRHTAPLSSADREKLERFSHSEGLDLYLAPDSEILETVSGEMPWYDSNGLRLTFSPRDFIQVNAGVNQKMVARALEWLDVQPEDRVLDLFCGMGNFTLPLATQAASVVGVEGVPALVEKGQQNARLNGLQNVTFYHENLEEDVTKQPWAKNGFDKVLLDPARAGAAGVMQQIIKLEPIRIVYVSCNPATLARDSEALLKAGYTIARLAMLDMFPHTGHLESMVWSLKERTMVAVRSAHINKAGEFDPEKWIASLGITSQKSCECLAETWAYCLQQTQGHPDASLLLWRGVEMVEILSTLSMDIDTLRAALLFPLADANVVSEDVLRESVGKSVVNLIHGVRDMAAIRQLKATHTDSVSSEQVDNVRRMLLAMVDDFRCVVIKLAERIAHLREVKDAPEDERVLAAKECTNIYAPLANRLGIGQLKWELEDYCFRYLHPTEYKRIAKLLHERRLDREHYIEEFVGHLRAEMKAEGVKAEVYGRPKHIYSIWRKMQKKNLAFDELFDVRAVRIVAERLQDCYAALGIVHTHYRHLPDEFDDYVANPKPNGYQSIHTVVLGPGGKTVEIQIRTKQMHEDAELGVAAHWKYKEGAAAGGARSGHEDRIAWLRKLIAWQEEMADSGEMLDEVRSQVFDDRVYVFTPKGDVVDLPAGSTPLDFAYHIHSDVGHRCIGAKIGGRIVPFTYQLQMGDQIEIITQKQPNPSRDWLNPNLGYVTTSRGRSKIHAWFRKQDRDKNILAGRQILDDELEHLGISLKEAEKHLLPRYNFNDVDELLAAIGGGDIRLNQMVNFLQSQFNKPSAEEQDAAALKQLQQKSYTPQNRSKDNGRVVVEGVGNLMHHIARCCQPIPGDEIVGFITQGRGISVHRADCEQLAELRSHAPERIVDAVWGESYSAGYSLVVRVVANDRSGLLRDITTILANEKVNVLGVASRSDTKQQLATIDMTIEIYNLQVLGRVLGKLNQVPDVIDARRLHGS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	44.1	Very low	248 Å²	248	178 Å²	178	100%	1.222	87%	0.865	S	S	*	*				0	94.6	0	-79.3	-169.5	-89	0	0	108.7
2	A	41.4	Very low	44.7	Very low	77 Å²	77	168.4 Å²	168.4	64%	0.636	83%	0.825	S	S	*	*			trans	-111.2	103.9	168	0	0	0	0	0	106.5	F4	A2-F4 HydrophobicContact CB-CE2 4.37Å; A2-F4 PolarHBondContact O-N 3.06Å
3	Q	38.4	Very low	45.3	Very low	200 Å²	200	163.9 Å²	163.9	94%	0.935	81%	0.814	S	S	*	*			trans	-69.2	100.3	174.3	-83.9	-178.6	-19.7	0	0	108.4	Y5	Q3-Y5 PolarHBondContact O-N 3.16Å
4	F	48.6	Very low	46.5	Very low	193 Å²	193	168.4 Å²	168.4	85%	0.846	82%	0.817	S	S	*	*			trans	-70.7	110.7	166.9	-75.5	-85.2	0	0	0	109	A2 S6	A2-F4 HydrophobicContact CB-CE2 4.37Å; A2-F4 PolarHBondContact O-N 3.06Å; F4-S6 PolarHBondContact O-N 3.26Å; F4-S6 VanDerWaalsContact O-N 3.16Å
5	Y	44	Very low	48.3	Very low	226 Å²	226	166 Å²	166	89%	0.886	80%	0.803	S	S	*	*			trans	-67.9	106.7	172.1	-157.5	-94.8	0	0	0	109.3	Q3	Q3-Y5 PolarHBondContact O-N 3.16Å
6	S	45.3	Very low	50.7	Low	107 Å²	107	161.9 Å²	161.9	75%	0.748	79%	0.785	S	S	*	*			trans	-81.9	112.2	172.6	156.6	0	0	0	0	109.2	F4 K8	F4-S6 PolarHBondContact O-N 3.26Å; F4-S6 VanDerWaalsContact O-N 3.16Å; S6-K8 PolarHBondContact O-N 3.17Å
7	A	42.3	Very low	53.2	Low	82 Å²	82	153.6 Å²	153.6	68%	0.678	75%	0.746	S	S	*	*			trans	-66.3	122.4	172.8	0	0	0	0	0	110.1	R9	A7-R9 PolarHBondContact O-N 3.13Å; A7-R9 VanDerWaalsContact O-N 3.1Å
8	K	43.8	Very low	55.4	Low	207 Å²	207	150.1 Å²	150.1	90%	0.9	74%	0.735	S	S	*	*			trans	-50.8	115.6	172.7	-79.7	-179.2	176.1	177.5	0	110.1	S6 R10	S6-K8 PolarHBondContact O-N 3.17Å; K8-R10 PolarHBondContact O-N 2.93Å
9	R	46.1	Very low	57.4	Low	242 Å²	242	142.6 Å²	142.6	91%	0.913	70%	0.699	S	S	*	*			trans	-57	116.3	168.5	-86	-179.8	171.5	176.5	-2.6	108.7	A7 T11	A7-R9 PolarHBondContact O-N 3.13Å; A7-R9 VanDerWaalsContact O-N 3.1Å; R9-T11 PolarHBondContact O-N 2.77Å
10	R	46.7	Very low	59.3	Low	235 Å²	235	138 Å²	138	89%	0.887	68%	0.681	S	S	*	*			trans	-62.1	123.7	165.4	-89.2	-178.5	169	178.7	-3.7	108.5	K8 T12	K8-R10 PolarHBondContact O-N 2.93Å; R10-T12 PolarHBondContact O-N 3.13Å; R10-T12 VanDerWaalsContact O-N 3.12Å
11	T	48.7	Very low	61	Low	141 Å²	141	131.5 Å²	131.5	87%	0.865	65%	0.649	S	S	*	*			trans	-67.3	102.2	172.1	-34.6	0	0	0	0	108.5	R9 T13	R9-T11 PolarHBondContact O-N 2.77Å; T11-T13 PolarHBondContact O-N 2.76Å
12	T	50.6	Low	63.3	Low	63 Å²	63	124.4 Å²	124.4	39%	0.387	62%	0.616	S	S	.	*			trans	-71.8	114.2	169.2	18.9	0	0	0	0	108.5	R10 R14 D57	R10-T12 PolarHBondContact O-N 3.13Å; R10-T12 VanDerWaalsContact O-N 3.12Å; T12-R14 PolarHBondContact O-N 3.43Å; T12-D57 HydrophobicContact CG2-CB 3.9Å
13	T	53.2	Low	65.6	Low	110 Å²	110	125.1 Å²	125.1	68%	0.675	61%	0.61	S	S	*	*			trans	-54.3	119.7	165.9	13.8	0	0	0	0	108.5	T11 Q15	T11-T13 PolarHBondContact O-N 2.76Å; T13-Q15 PolarHBondContact O-N 2.86Å
14	R	62.5	Low	68.1	Low	227 Å²	227	116 Å²	116	86%	0.857	57%	0.567	S	S	*	*			trans	-71.3	64.2	177.2	-69.9	-179.2	177.4	172.8	-1.1	110.9	T12 T53	T12-R14 PolarHBondContact O-N 3.43Å; R14-T53 HydrophobicContact CB-CG2 4.47Å
15	Q	72.3	Confident	69.9	Low	132 Å²	132	107.9 Å²	107.9	62%	0.617	53%	0.532	S	S	*	.			trans	-80.5	128.5	172.5	-75	177.5	-23.9	0	0	109.2	T13	T13-Q15 PolarHBondContact O-N 2.86Å
16	I	87.3	Confident	71.5	Confident	100 Å²	100	98.8 Å²	98.8	51%	0.513	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.3	166.7	-61.6	172.9	0	0	0	106.5	E51 V52	I16-E51 HydrophobicContact CG2-CB 3.81Å; I16-E51 HydrophobicContact CG2-CG 4.23Å; I16-V52 WeakPolarHBondContact CA-O 3.45Å
17	I	92.3	Very high	73.2	Confident	22 Å²	22	99.4 Å²	99.4	11%	0.113	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.6	178.3	57.5	171	0	0	0	109.4	V19 H34 L39 E51 V52 V54	I17-V19 HydrophobicContact CD1-CG1 3.97Å; I17-V19 HydrophobicContact CG1-CG1 4.16Å; I17-H34 HydrophobicContact CD1-CB 4.23Å; I17-L39 HydrophobicContact CD1-CD2 3.97Å; I17-E51 WeakPolarHBondContact O-CA 3.43Å; I17-V52 HydrophobicContact CD1-CG2 4.11Å; I17-V52 HydrophobicContact CG1-CG2 3.63Å; I17-V52 PolarHBondContact N-O 2.83Å; I17-V52 PolarHBondContact O-N 3.19Å; I17-V54 HydrophobicContact CD1-CG2 3.8Å; I17-V54 HydrophobicContact CG1-CG2 4.49Å
18	T	93.5	Very high	75.2	Confident	90 Å²	90	95.7 Å²	95.7	55%	0.552	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.1	171.9	-53.2	0	0	0	0	109.3	A50 L70	T18-A50 WeakPolarHBondContact CA-O 3.3Å; T18-L70 HydrophobicContact CG2-CD1 4.06Å
19	V	93.6	Very high	77.3	Confident	8 Å²	8	87.5 Å²	87.5	5%	0.048	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.8	-179.7	-61	0	0	0	0	111	I17 A32 L39 I41 N49 A50 V52	I17-V19 HydrophobicContact CD1-CG1 3.97Å; I17-V19 HydrophobicContact CG1-CG1 4.16Å; V19-A32 HydrophobicContact CB-CB 4.11Å; V19-A32 HydrophobicContact CG2-CB 4.41Å; V19-L39 HydrophobicContact CG1-CD2 3.83Å; V19-I41 HydrophobicContact CG2-CD1 4.4Å; V19-N49 WeakPolarHBondContact O-CA 3.35Å; V19-A50 PolarHBondContact N-O 3.33Å; V19-A50 PolarHBondContact O-N 3.04Å; V19-V52 HydrophobicContact CB-CG2 4.48Å; V19-V52 HydrophobicContact CG1-CG2 3.93Å; V19-V52 HydrophobicContact CG2-CB 4.37Å; V19-V52 HydrophobicContact CG2-CG1 3.69Å; V19-V52 HydrophobicContact CG2-CG2 3.68Å
20	S	94.6	Very high	79.5	Confident	50 Å²	50	76 Å²	76	35%	0.35	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.9	168.5	-160.6	0	0	0	0	108.6	A32 E48 N49	S20-A32 VanDerWaalsContact O-CB 3.25Å; S20-A32 WeakPolarHBondContact O-CB 3.44Å; S20-E48 WeakPolarHBondContact CA-O 3.36Å; S20-N49 WeakPolarHBondContact CB-OD1 3.46Å; S20-N49 PolarHBondContact OG-OD1 3.31Å
21	V	94.8	Very high	81.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.6	-179.3	174.2	0	0	0	0	109.8	D23 A32 I41 L44 L45 Q47 E48	V21-D23 VanDerWaalsContact CG1-O 3.23Å; V21-D23 WeakPolarHBondContact CG1-O 3.43Å; V21-A32 HydrophobicContact CG2-CB 4.37Å; V21-I41 HydrophobicContact CG2-CD1 4.4Å; V21-L44 HydrophobicContact CG2-CB 3.67Å; V21-L44 HydrophobicContact CG2-CD1 3.66Å; V21-L44 HydrophobicContact CG2-CG 4.32Å; V21-L45 VanDerWaalsContact CB-O 3.3Å; V21-L45 WeakPolarHBondContact CB-O 3.43Å; V21-L45 WeakPolarHBondContact CG1-O 3.4Å; V21-Q47 PolarHBondContact O-N 3.18Å; V21-E48 PolarHBondContact N-O 2.87Å
22	N	89.8	Confident	83.8	Confident	99 Å²	99	59.5 Å²	59.5	53%	0.529	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-37.4	-176.6	-61.2	-38.3	0	0	0	112.1	V31	N22-V31 PolarHBondContact N-O 3.38Å
23	D	89.9	Confident	85.8	Confident	93 Å²	93	65.2 Å²	65.2	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	166.3	-172.7	-83	-52.7	0	0	0	111.2	V21 V31	V21-D23 VanDerWaalsContact CG1-O 3.23Å; V21-D23 WeakPolarHBondContact CG1-O 3.43Å; D23-V31 HydrophobicContact CB-CB 4.15Å; D23-V31 PolarHBondContact N-O 2.74Å; D23-V31 PolarHBondContact O-N 3.36Å
24	L	90	Very high	87.4	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127	168.7	-164.8	72.6	0	0	0	108.5	L45 P46 A95 L99	L24-L45 HydrophobicContact CD1-CD2 3.94Å; L24-L45 HydrophobicContact CD2-CD2 4.49Å; L24-P46 HydrophobicContact CB-CG 4.07Å; L24-A95 HydrophobicContact CD2-CB 4.47Å; L24-L99 HydrophobicContact CD2-CD2 4.42Å; L24-L99 HydrophobicContact CD2-CG 4.3Å
25	D	86.1	Confident	88.5	Confident	23 Å²	23	59.6 Å²	59.6	12%	0.123	30%	0.303	C	S	.	.			trans	-74.4	168.6	174.5	81.6	1	0	0	0	111.7	F27 G28 Q29 V31	D25-F27 PolarHBondContact O-N 3.42Å; D25-F27 VanDerWaalsContact O-N 3.09Å; D25-F27 VanDerWaalsContact OD1-C 3.29Å; D25-F27 VanDerWaalsContact OD1-CA 3.31Å; D25-F27 WeakPolarHBondContact OD1-CA 3.44Å; D25-F27 WeakPolarHBondContact OD1-CB 3.35Å; D25-F27 PolarHBondContact OD1-N 2.89Å; D25-G28 PolarHBondContact O-N 2.73Å; D25-G28 VanDerWaalsContact O-N 3.11Å; D25-G28 PolarHBondContact OD1-N 3.2Å; D25-Q29 PolarHBondContact N-O 3.49Å; D25-Q29 PolarHBondContact OD1-N 2.77Å; D25-Q29 PolarHBondContact OD2-NE2 2.8Å; D25-V31 HydrophobicContact CB-CG2 3.84Å
26	S	77.5	Confident	89	Confident	35 Å²	35	56.3 Å²	56.3	25%	0.245	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13	178.8	58.1	0	0	0	0	113.9	Q92 G421	S26-Q92 PolarHBondContact O-OE1 3.35Å; S26-G421 CarbonylContact O-C 3.55Å; S26-G421 WeakPolarHBondContact O-CA 3.45Å; S26-G421 VanDerWaalsContact O-O 3.1Å
27	F	82.1	Confident	89	Confident	121 Å²	121	54.5 Å²	54.5	53%	0.531	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	1.5	179	-57	-72.6	0	0	0	112.7	D25 Q91	D25-F27 PolarHBondContact O-N 3.42Å; D25-F27 VanDerWaalsContact O-N 3.09Å; D25-F27 VanDerWaalsContact OD1-C 3.29Å; D25-F27 VanDerWaalsContact OD1-CA 3.31Å; D25-F27 WeakPolarHBondContact OD1-CA 3.44Å; D25-F27 WeakPolarHBondContact OD1-CB 3.35Å; D25-F27 PolarHBondContact OD1-N 2.89Å; F27-Q91 WeakPolarHBondContact O-CB 3.49Å
28	G	82.9	Confident	89	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.031	30%	0.298	C	S	.	.	S	Bend	trans	82.6	19.9	-179.6	0	0	0	0	0	115.1	D25 Q92	D25-G28 PolarHBondContact O-N 2.73Å; D25-G28 VanDerWaalsContact O-N 3.11Å; D25-G28 PolarHBondContact OD1-N 3.2Å; G28-Q92 VanDerWaalsContact CA-CD 3.47Å
29	Q	88.4	Confident	89	Confident	35 Å²	35	50.7 Å²	50.7	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.8	174.3	-57.5	167.5	90.1	0	0	109.5	D25 V31 P42	D25-Q29 PolarHBondContact N-O 3.49Å; D25-Q29 PolarHBondContact OD1-N 2.77Å; D25-Q29 PolarHBondContact OD2-NE2 2.8Å; Q29-V31 PolarHBondContact O-N 2.76Å; Q29-P42 HydrophobicContact CG-CB 4.38Å; Q29-P42 HydrophobicContact CG-CG 4.1Å
30	G	92.1	Very high	89	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.5	170.6	0	0	0	0	0	110.3	F40 I41 L44	G30-F40 WeakPolarHBondContact O-CA 3.47Å; G30-I41 PolarHBondContact N-O 3.38Å; G30-I41 PolarHBondContact O-N 3.07Å; G30-L44 VanDerWaalsContact CA-O 3.29Å; G30-L44 WeakPolarHBondContact CA-O 3.34Å; G30-L44 PolarHBondContact N-O 2.98Å
31	V	93.1	Very high	89	Confident	30 Å²	30	50.5 Å²	50.5	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.7	177.1	-173.4	0	0	0	0	109.1	N22 D23 D25 Q29 F40	N22-V31 PolarHBondContact N-O 3.38Å; D23-V31 HydrophobicContact CB-CB 4.15Å; D23-V31 PolarHBondContact N-O 2.74Å; D23-V31 PolarHBondContact O-N 3.36Å; D25-V31 HydrophobicContact CB-CG2 3.84Å; Q29-V31 PolarHBondContact O-N 2.76Å; V31-F40 HydrophobicContact CG1-CE1 4.49Å; V31-F40 HydrophobicContact CG2-CD1 3.95Å; V31-F40 HydrophobicContact CG2-CE1 3.94Å
32	A	93.8	Very high	88.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	173.2	172.2	0	0	0	0	0	110.5	V19 S20 V21 L39 I41	V19-A32 HydrophobicContact CB-CB 4.11Å; V19-A32 HydrophobicContact CG2-CB 4.41Å; S20-A32 VanDerWaalsContact O-CB 3.25Å; S20-A32 WeakPolarHBondContact O-CB 3.44Å; V21-A32 HydrophobicContact CG2-CB 4.37Å; A32-L39 HydrophobicContact CB-CB 4.41Å; A32-L39 PolarHBondContact N-O 2.93Å; A32-L39 PolarHBondContact O-N 2.9Å; A32-I41 HydrophobicContact CB-CD1 3.69Å
33	R	91.5	Very high	88.7	Confident	182 Å²	182	50.4 Å²	50.4	69%	0.687	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.3	166	-70.5	-170.4	177.8	-155.2	1.8	110	K37	R33-K37 WeakPolarHBondContact CA-O 3.33Å
34	H	87.2	Confident	88.9	Confident	68 Å²	68	46 Å²	46	32%	0.315	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.6	172.4	-174.1	71.7	0	0	0	108.8	I17 G36 K37	I17-H34 HydrophobicContact CD1-CB 4.23Å; H34-G36 PolarHBondContact O-N 3.44Å; H34-K37 PolarHBondContact N-O 2.78Å; H34-K37 PolarHBondContact O-N 3.03Å
35	N	85.1	Confident	89.2	Confident	152 Å²	152	45.6 Å²	45.6	81%	0.813	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	42.2	-172.4	-61.3	-22.7	0	0	0	113.2	K37	N35-K37 PolarHBondContact O-N 2.95Å; N35-K37 VanDerWaalsContact O-N 3.14Å
36	G	83.1	Confident	89.6	Confident	62 Å²	62	45.5 Å²	45.5	64%	0.639	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-12.2	-179.3	0	0	0	0	0	115.7	H34	H34-G36 PolarHBondContact O-N 3.44Å
37	K	88.7	Confident	90.3	Very high	63 Å²	63	50.6 Å²	50.6	27%	0.274	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.5	179.1	-168.2	-179.3	-62.9	-172.6	0	111.1	R33 H34 N35 L39 D57 K58 A62	R33-K37 WeakPolarHBondContact CA-O 3.33Å; H34-K37 PolarHBondContact N-O 2.78Å; H34-K37 PolarHBondContact O-N 3.03Å; N35-K37 PolarHBondContact O-N 2.95Å; N35-K37 VanDerWaalsContact O-N 3.14Å; K37-L39 PolarHBondContact O-N 3.4Å; K37-D57 IonicContact NZ-OD1 3.21Å; K37-D57 PolarHBondContact NZ-OD1 2.8Å; K37-D57 IonicContact NZ-OD2 3.64Å; K37-K58 PolarHBondContact NZ-O 2.77Å; K37-A62 HydrophobicContact CD-CB 4.21Å
38	A	91.7	Very high	91	Very high	28 Å²	28	44.9 Å²	44.9	23%	0.231	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.6	174.3	0	0	0	0	0	110.7	F40 Y61 A62	A38-F40 HydrophobicContact CB-CE2 4.45Å; A38-Y61 CarbonylContact O-C 3.56Å; A38-Y61 VanDerWaalsContact O-CA 3.31Å; A38-Y61 WeakPolarHBondContact O-CA 3.24Å; A38-A62 PolarHBondContact O-N 2.97Å
39	L	93.3	Very high	91.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.5	-179.3	-168.1	71.3	0	0	0	108.8	I17 V19 A32 K37 I41 V52 V54 A62 A64	I17-L39 HydrophobicContact CD1-CD2 3.97Å; V19-L39 HydrophobicContact CG1-CD2 3.83Å; A32-L39 HydrophobicContact CB-CB 4.41Å; A32-L39 PolarHBondContact N-O 2.93Å; A32-L39 PolarHBondContact O-N 2.9Å; K37-L39 PolarHBondContact O-N 3.4Å; L39-I41 HydrophobicContact CB-CD1 4.17Å; L39-I41 HydrophobicContact CD2-CD1 3.99Å; L39-I41 HydrophobicContact CD2-CG1 4.18Å; L39-I41 HydrophobicContact CG-CD1 3.9Å; L39-I41 HydrophobicContact CG-CG1 4.11Å; L39-I41 VanDerWaalsContact O-CD1 3.26Å; L39-I41 WeakPolarHBondContact O-CD1 3.43Å; L39-V52 HydrophobicContact CD2-CG2 4.03Å; L39-V54 HydrophobicContact CD1-CG2 4.2Å; L39-A62 WeakPolarHBondContact CA-O 3.35Å; L39-A62 HydrophobicContact CD1-CB 3.41Å; L39-A62 VanDerWaalsContact CD1-CB 3.41Å; L39-A64 HydrophobicContact CD1-CB 4.05Å; L39-A64 HydrophobicContact CD2-CB 4.06Å; L39-A64 HydrophobicContact CG-CB 4.12Å
40	F	93.6	Very high	91.9	Very high	53 Å²	53	46 Å²	46	23%	0.232	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.9	178.3	-61	-85.2	0	0	0	110.1	G30 V31 A38 Y61 A62 R63 A64	G30-F40 WeakPolarHBondContact O-CA 3.47Å; V31-F40 HydrophobicContact CG1-CE1 4.49Å; V31-F40 HydrophobicContact CG2-CD1 3.95Å; V31-F40 HydrophobicContact CG2-CE1 3.94Å; A38-F40 HydrophobicContact CB-CE2 4.45Å; F40-Y61 AromaticContact CD2-CD2 3.92Å; F40-Y61 HydrophobicContact CD2-CD2 3.92Å; F40-Y61 HydrophobicContact CD2-CG 4.37Å; F40-Y61 HydrophobicContact CE2-CD2 4.02Å; F40-Y61 HydrophobicContact CE2-CG 4.03Å; F40-A62 PolarHBondContact N-O 2.64Å; F40-R63 HydrophobicContact CB-CG 4.38Å; F40-R63 WeakPolarHBondContact O-CA 3.49Å; F40-A64 PolarHBondContact O-N 2.84Å
41	I	93.5	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	101.3	-174.2	-47.9	99.1	0	0	0	109.8	V19 V21 G30 A32 L39 G43 L44 V52 A64 V66	V19-I41 HydrophobicContact CG2-CD1 4.4Å; V21-I41 HydrophobicContact CG2-CD1 4.4Å; G30-I41 PolarHBondContact N-O 3.38Å; G30-I41 PolarHBondContact O-N 3.07Å; A32-I41 HydrophobicContact CB-CD1 3.69Å; L39-I41 HydrophobicContact CB-CD1 4.17Å; L39-I41 HydrophobicContact CD2-CD1 3.99Å; L39-I41 HydrophobicContact CD2-CG1 4.18Å; L39-I41 HydrophobicContact CG-CD1 3.9Å; L39-I41 HydrophobicContact CG-CG1 4.11Å; L39-I41 VanDerWaalsContact O-CD1 3.26Å; L39-I41 WeakPolarHBondContact O-CD1 3.43Å; I41-G43 PolarHBondContact O-N 3.09Å; I41-L44 HydrophobicContact CB-CD1 4.05Å; I41-L44 HydrophobicContact CB-CG 4.5Å; I41-L44 HydrophobicContact CG2-CD1 3.66Å; I41-L44 HydrophobicContact CG2-CG 3.98Å; I41-V52 HydrophobicContact CG1-CG1 4.39Å; I41-V52 HydrophobicContact CG2-CG1 3.93Å; I41-A64 HydrophobicContact CG1-CB 3.99Å; I41-V66 HydrophobicContact CG2-CG2 3.6Å
42	P	90.4	Very high	92.2	Very high	69 Å²	69	46.8 Å²	46.8	45%	0.448	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135.6	174.7	-21.3	31.4	0	0	0	111.8	Q29 A64	Q29-P42 HydrophobicContact CG-CB 4.38Å; Q29-P42 HydrophobicContact CG-CG 4.1Å; P42-A64 WeakPolarHBondContact CD-O 3.26Å
43	G	89.8	Confident	92.2	Very high	29 Å²	29	48.2 Å²	48.2	30%	0.299	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	2.4	173.9	0	0	0	0	0	115.9	I41 R76	I41-G43 PolarHBondContact O-N 3.09Å; G43-R76 PolarHBondContact O-NH2 3.27Å
44	L	93.8	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.			trans	-104.7	148.4	167.9	-65.4	-179.7	0	0	0	111.6	V21 G30 I41 E48 A50 V52 V66 R69	V21-L44 HydrophobicContact CG2-CB 3.67Å; V21-L44 HydrophobicContact CG2-CD1 3.66Å; V21-L44 HydrophobicContact CG2-CG 4.32Å; G30-L44 VanDerWaalsContact CA-O 3.29Å; G30-L44 WeakPolarHBondContact CA-O 3.34Å; G30-L44 PolarHBondContact N-O 2.98Å; I41-L44 HydrophobicContact CB-CD1 4.05Å; I41-L44 HydrophobicContact CB-CG 4.5Å; I41-L44 HydrophobicContact CG2-CD1 3.66Å; I41-L44 HydrophobicContact CG2-CG 3.98Å; L44-E48 VanDerWaalsContact CA-OE2 3.29Å; L44-E48 WeakPolarHBondContact CA-OE2 3.34Å; L44-E48 HydrophobicContact CD2-CB 4.38Å; L44-A50 HydrophobicContact CD1-CB 3.51Å; L44-A50 HydrophobicContact CD2-CB 3.76Å; L44-A50 HydrophobicContact CG-CB 4.27Å; L44-V52 HydrophobicContact CD1-CG1 4.15Å; L44-V66 HydrophobicContact CD1-CG2 3.98Å; L44-V66 HydrophobicContact CD2-CG1 4.36Å; L44-V66 HydrophobicContact CD2-CG2 3.74Å; L44-V66 HydrophobicContact CG-CG2 3.53Å; L44-R69 HydrophobicContact CD2-CB 4.38Å; L44-R69 HydrophobicContact CD2-CG 3.79Å
45	L	95.6	Very high	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.			trans	-111.5	163.9	178.7	-58.9	-174.3	0	0	0	111.8	V21 L24 Q47 E48 R76 H94 A95 L99	V21-L45 VanDerWaalsContact CB-O 3.3Å; V21-L45 WeakPolarHBondContact CB-O 3.43Å; V21-L45 WeakPolarHBondContact CG1-O 3.4Å; L24-L45 HydrophobicContact CD1-CD2 3.94Å; L24-L45 HydrophobicContact CD2-CD2 4.49Å; L45-Q47 PolarHBondContact O-N 3.13Å; L45-E48 HydrophobicContact CB-CG 4.17Å; L45-E48 PolarHBondContact N-OE2 3.1Å; L45-E48 WeakPolarHBondContact O-CB 3.34Å; L45-E48 WeakPolarHBondContact O-CG 3.32Å; L45-E48 PolarHBondContact O-N 2.71Å; L45-E48 VanDerWaalsContact O-N 3.16Å; L45-R76 HydrophobicContact CD1-CB 3.86Å; L45-R76 HydrophobicContact CD1-CG 4.41Å; L45-H94 WeakPolarHBondContact CD1-O 3.4Å; L45-H94 VanDerWaalsContact CD2-CD2 3.45Å; L45-H94 WeakPolarHBondContact CD2-CD2 3.35Å; L45-H94 WeakPolarHBondContact CD2-NE2 3.25Å; L45-A95 HydrophobicContact CD1-CB 4.38Å; L45-A95 HydrophobicContact CD2-CB 3.79Å; L45-L99 HydrophobicContact CB-CD2 4.34Å; L45-L99 HydrophobicContact CD1-CD2 4.09Å; L45-L99 HydrophobicContact CD2-CD2 4.09Å; L45-L99 HydrophobicContact CG-CD2 4.41Å
46	P	93.7	Very high	92.4	Very high	21 Å²	21	37.4 Å²	37.4	14%	0.136	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	139.7	171.3	-28.1	37.5	0	0	0	112.4	L24 E48 S73 L99	L24-P46 HydrophobicContact CB-CG 4.07Å; P46-E48 PolarHBondContact O-N 3.35Å; P46-S73 WeakPolarHBondContact O-CB 3.16Å; P46-S73 PolarHBondContact O-OG 2.74Å; P46-L99 HydrophobicContact CG-CD1 4.2Å
47	Q	93.2	Very high	92.6	Very high	142 Å²	142	38.5 Å²	38.5	66%	0.664	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	4.8	-177.3	-51.6	173.6	-1.5	0	0	115.5	V21 L45	V21-Q47 PolarHBondContact O-N 3.18Å; L45-Q47 PolarHBondContact O-N 3.13Å
48	E	95.9	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.			trans	-84.6	137.2	173.3	-62.7	-173	155.8	0	0	112	S20 V21 L44 L45 P46 R69 S73 R76	S20-E48 WeakPolarHBondContact CA-O 3.36Å; V21-E48 PolarHBondContact N-O 2.87Å; L44-E48 VanDerWaalsContact CA-OE2 3.29Å; L44-E48 WeakPolarHBondContact CA-OE2 3.34Å; L44-E48 HydrophobicContact CD2-CB 4.38Å; L45-E48 HydrophobicContact CB-CG 4.17Å; L45-E48 PolarHBondContact N-OE2 3.1Å; L45-E48 WeakPolarHBondContact O-CB 3.34Å; L45-E48 WeakPolarHBondContact O-CG 3.32Å; L45-E48 PolarHBondContact O-N 2.71Å; L45-E48 VanDerWaalsContact O-N 3.16Å; P46-E48 PolarHBondContact O-N 3.35Å; E48-R69 WeakPolarHBondContact OE2-CD 3.4Å; E48-S73 PolarHBondContact OE1-N 2.89Å; E48-R76 VanDerWaalsContact CD-NH2 3.32Å; E48-R76 IonicContact OE1-CZ 3.43Å; E48-R76 VanDerWaalsContact OE1-CZ 3.32Å; E48-R76 IonicContact OE1-NE 3.13Å; E48-R76 PolarHBondContact OE1-NE 3.12Å; E48-R76 IonicContact OE1-NH2 3.52Å; E48-R76 PolarHBondContact OE1-NH2 3.22Å; E48-R76 VanDerWaalsContact OE1-NH2 3.12Å; E48-R76 IonicContact OE2-CZ 3.75Å; E48-R76 IonicContact OE2-NE 3.98Å; E48-R76 IonicContact OE2-NH2 3.98Å; E48-R76 PolarHBondContact OE2-NH2 3.01Å
49	N	95.7	Very high	92.3	Very high	63 Å²	63	48.3 Å²	48.3	34%	0.337	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.6	170.1	-59.3	-66.4	0	0	0	109.1	V19 S20 L70 S71	V19-N49 WeakPolarHBondContact O-CA 3.35Å; S20-N49 WeakPolarHBondContact CB-OD1 3.46Å; S20-N49 PolarHBondContact OG-OD1 3.31Å; N49-L70 HydrophobicContact CB-CB 4.27Å; N49-L70 WeakPolarHBondContact O-CA 3.42Å; N49-L70 WeakPolarHBondContact O-CB 3.32Å; N49-L70 PolarHBondContact O-N 3.46Å; N49-S71 PolarHBondContact N-OG 3.21Å; N49-S71 PolarHBondContact ND2-OG 2.83Å; N49-S71 PolarHBondContact O-N 3.18Å
50	A	95.7	Very high	91.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.1	179.8	0	0	0	0	0	112.6	T18 V19 L44 V52 V66 R68	T18-A50 WeakPolarHBondContact CA-O 3.3Å; V19-A50 PolarHBondContact N-O 3.33Å; V19-A50 PolarHBondContact O-N 3.04Å; L44-A50 HydrophobicContact CD1-CB 3.51Å; L44-A50 HydrophobicContact CD2-CB 3.76Å; L44-A50 HydrophobicContact CG-CB 4.27Å; A50-V52 HydrophobicContact CB-CG1 4.02Å; A50-V66 HydrophobicContact CB-CG1 4.33Å; A50-R68 CarbonylContact C-O 3.43Å; A50-R68 WeakPolarHBondContact CA-O 3.36Å
51	E	95.9	Very high	91.7	Very high	46 Å²	46	56.3 Å²	56.3	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.4	160.9	-72.5	170.4	167.8	0	0	108.7	I16 I17 V67 R68 L70	I16-E51 HydrophobicContact CG2-CB 3.81Å; I16-E51 HydrophobicContact CG2-CG 4.23Å; I17-E51 WeakPolarHBondContact O-CA 3.43Å; E51-V67 WeakPolarHBondContact O-CB 3.48Å; E51-V67 PolarHBondContact O-N 2.88Å; E51-R68 HydrophobicContact CB-CB 4.35Å; E51-R68 PolarHBondContact N-O 3.43Å; E51-R68 PolarHBondContact O-N 2.88Å; E51-R68 IonicContact OE1-CZ 3.74Å; E51-R68 IonicContact OE1-NE 3.86Å; E51-R68 IonicContact OE1-NH2 2.72Å; E51-R68 PolarHBondContact OE1-NH2 3Å; E51-R68 IonicContact OE2-CZ 3.09Å; E51-R68 VanDerWaalsContact OE2-CZ 3.29Å; E51-R68 IonicContact OE2-NE 3.14Å; E51-R68 PolarHBondContact OE2-NE 3.1Å; E51-R68 IonicContact OE2-NH2 2.68Å; E51-R68 PolarHBondContact OE2-NH2 2.98Å; E51-L70 HydrophobicContact CG-CD1 4.35Å
52	V	94.4	Very high	91.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.6	-176.3	-54	0	0	0	0	111	I16 I17 V19 L39 I41 L44 A50 A64 K65	I16-V52 WeakPolarHBondContact CA-O 3.45Å; I17-V52 HydrophobicContact CD1-CG2 4.11Å; I17-V52 HydrophobicContact CG1-CG2 3.63Å; I17-V52 PolarHBondContact N-O 2.83Å; I17-V52 PolarHBondContact O-N 3.19Å; V19-V52 HydrophobicContact CB-CG2 4.48Å; V19-V52 HydrophobicContact CG1-CG2 3.93Å; V19-V52 HydrophobicContact CG2-CB 4.37Å; V19-V52 HydrophobicContact CG2-CG1 3.69Å; V19-V52 HydrophobicContact CG2-CG2 3.68Å; L39-V52 HydrophobicContact CD2-CG2 4.03Å; I41-V52 HydrophobicContact CG1-CG1 4.39Å; I41-V52 HydrophobicContact CG2-CG1 3.93Å; L44-V52 HydrophobicContact CD1-CG1 4.15Å; A50-V52 HydrophobicContact CB-CG1 4.02Å; V52-A64 HydrophobicContact CB-CB 3.89Å; V52-A64 HydrophobicContact CG2-CB 3.79Å; V52-K65 CarbonylContact C-O 3.55Å; V52-K65 VanDerWaalsContact CA-O 3.24Å; V52-K65 WeakPolarHBondContact CA-O 3.36Å; V52-K65 WeakPolarHBondContact CB-O 3.32Å
53	T	94.1	Very high	91.7	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.2	171.7	-60	0	0	0	0	109.5	R14 T55 A64 K65 V67	R14-T53 HydrophobicContact CB-CG2 4.47Å; T53-T55 PolarHBondContact O-N 2.88Å; T53-A64 CarbonylContact O-C 3.57Å; T53-A64 WeakPolarHBondContact O-CA 3.17Å; T53-A64 WeakPolarHBondContact O-CB 3.32Å; T53-K65 PolarHBondContact N-O 2.66Å; T53-K65 PolarHBondContact O-N 2.87Å; T53-V67 WeakPolarHBondContact OG1-CG2 3.28Å
54	V	90.9	Very high	91.8	Very high	32 Å²	32	56.8 Å²	56.8	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.3	176.5	-177	0	0	0	0	109.8	I17 L39 D57 A62 R63 A64	I17-V54 HydrophobicContact CD1-CG2 3.8Å; I17-V54 HydrophobicContact CG1-CG2 4.49Å; L39-V54 HydrophobicContact CD1-CG2 4.2Å; V54-D57 HydrophobicContact CG1-CB 4.29Å; V54-A62 HydrophobicContact CG1-CB 4.14Å; V54-R63 CarbonylContact C-O 3.46Å; V54-A64 HydrophobicContact CG2-CB 4.49Å
55	T	89.2	Confident	91.7	Very high	64 Å²	64	63.5 Å²	63.5	39%	0.393	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-29.9	179.7	54.5	0	0	0	0	112.7	T53 R63 K65	T53-T55 PolarHBondContact O-N 2.88Å; T55-R63 PolarHBondContact N-O 2.9Å; T55-R63 PolarHBondContact OG1-O 3.15Å; T55-K65 HydrophobicContact CG2-CB 4.27Å; T55-K65 HydrophobicContact CG2-CD 3.94Å; T55-K65 HydrophobicContact CG2-CG 3.79Å
56	E	88.7	Confident	91.6	Very high	80 Å²	80	66 Å²	66	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.7	177.3	-62.1	179.6	-178.4	0	0	109.3	A62 R63	E56-A62 CarbonylContact O-C 3.49Å; E56-A62 WeakPolarHBondContact O-CA 3.44Å; E56-A62 WeakPolarHBondContact O-CB 3.35Å; E56-R63 HydrophobicContact CB-CB 4.22Å; E56-R63 PolarHBondContact N-O 3.32Å; E56-R63 PolarHBondContact O-N 3.32Å; E56-R63 WeakPolarHBondContact OE2-CD 3.46Å; E56-R63 IonicContact OE2-NH1 3.43Å
57	D	87.7	Confident	91.5	Very high	85 Å²	85	68.8 Å²	68.8	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.2	173.9	-175	23.4	0	0	0	109.4	T12 K37 V54	T12-D57 HydrophobicContact CG2-CB 3.9Å; K37-D57 IonicContact NZ-OD1 3.21Å; K37-D57 PolarHBondContact NZ-OD1 2.8Å; K37-D57 IonicContact NZ-OD2 3.64Å; V54-D57 HydrophobicContact CG1-CB 4.29Å
58	K	88.2	Confident	91.6	Very high	108 Å²	108	68.7 Å²	68.7	47%	0.47	33%	0.325	S	S	.	.			trans	-109.8	174.3	178.7	-57.6	-70.3	-170.2	175	0	109.7	K37 Q60 Y61	K37-K58 PolarHBondContact NZ-O 2.77Å; K58-Q60 PolarHBondContact O-N 3.24Å; K58-Y61 CarbonylContact C-O 3.59Å; K58-Y61 VanDerWaalsContact CA-O 3.28Å; K58-Y61 WeakPolarHBondContact CA-O 3.39Å; K58-Y61 HydrophobicContact CB-CD1 4.18Å; K58-Y61 HydrophobicContact CB-CE1 3.98Å; K58-Y61 VanDerWaalsContact CB-O 3.25Å; K58-Y61 WeakPolarHBondContact CB-O 3.41Å; K58-Y61 HydrophobicContact CG-CE1 4.06Å; K58-Y61 HydrophobicContact CG-CE2 4.06Å; K58-Y61 PolarHBondContact N-O 2.86Å; K58-Y61 VanDerWaalsContact O-O 3.14Å
59	K	84.8	Confident	91.5	Very high	189 Å²	189	73.2 Å²	73.2	82%	0.822	34%	0.342	S	S	*	.	S	Bend	trans	-60	-47.8	-177.7	-170.7	178.1	178.6	-177.5	0	112.1
60	Q	84.3	Confident	91.5	Very high	148 Å²	148	74.2 Å²	74.2	69%	0.692	35%	0.346	S	S	*	.	S	Bend	trans	-100.7	-19.4	-173.3	-59.9	-63.1	2.5	0	0	114.6	K58	K58-Q60 PolarHBondContact O-N 3.24Å
61	Y	90.4	Very high	91.4	Very high	77 Å²	77	76 Å²	76	30%	0.302	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.9	-176.2	70.6	-85.2	0	0	0	110.8	A38 F40 K58 R63	A38-Y61 CarbonylContact O-C 3.56Å; A38-Y61 VanDerWaalsContact O-CA 3.31Å; A38-Y61 WeakPolarHBondContact O-CA 3.24Å; F40-Y61 AromaticContact CD2-CD2 3.92Å; F40-Y61 HydrophobicContact CD2-CD2 3.92Å; F40-Y61 HydrophobicContact CD2-CG 4.37Å; F40-Y61 HydrophobicContact CE2-CD2 4.02Å; F40-Y61 HydrophobicContact CE2-CG 4.03Å; K58-Y61 CarbonylContact C-O 3.59Å; K58-Y61 VanDerWaalsContact CA-O 3.28Å; K58-Y61 WeakPolarHBondContact CA-O 3.39Å; K58-Y61 HydrophobicContact CB-CD1 4.18Å; K58-Y61 HydrophobicContact CB-CE1 3.98Å; K58-Y61 VanDerWaalsContact CB-O 3.25Å; K58-Y61 WeakPolarHBondContact CB-O 3.41Å; K58-Y61 HydrophobicContact CG-CE1 4.06Å; K58-Y61 HydrophobicContact CG-CE2 4.06Å; K58-Y61 PolarHBondContact N-O 2.86Å; K58-Y61 VanDerWaalsContact O-O 3.14Å; Y61-R63 HydrophobicContact CD2-CG 4.4Å; Y61-R63 HydrophobicContact CE2-CG 4.19Å
62	A	91.8	Very high	91.3	Very high	6 Å²	6	78.4 Å²	78.4	5%	0.05	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.4	169.7	0	0	0	0	0	110.1	K37 A38 L39 F40 V54 E56	K37-A62 HydrophobicContact CD-CB 4.21Å; A38-A62 PolarHBondContact O-N 2.97Å; L39-A62 WeakPolarHBondContact CA-O 3.35Å; L39-A62 HydrophobicContact CD1-CB 3.41Å; L39-A62 VanDerWaalsContact CD1-CB 3.41Å; F40-A62 PolarHBondContact N-O 2.64Å; V54-A62 HydrophobicContact CG1-CB 4.14Å; E56-A62 CarbonylContact O-C 3.49Å; E56-A62 WeakPolarHBondContact O-CA 3.44Å; E56-A62 WeakPolarHBondContact O-CB 3.35Å
63	R	91.7	Very high	91.4	Very high	100 Å²	100	78.9 Å²	78.9	38%	0.377	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.8	172	-66.6	-179.6	170.4	169.8	-9	109.4	F40 V54 T55 E56 Y61	F40-R63 HydrophobicContact CB-CG 4.38Å; F40-R63 WeakPolarHBondContact O-CA 3.49Å; V54-R63 CarbonylContact C-O 3.46Å; T55-R63 PolarHBondContact N-O 2.9Å; T55-R63 PolarHBondContact OG1-O 3.15Å; E56-R63 HydrophobicContact CB-CB 4.22Å; E56-R63 PolarHBondContact N-O 3.32Å; E56-R63 PolarHBondContact O-N 3.32Å; E56-R63 WeakPolarHBondContact OE2-CD 3.46Å; E56-R63 IonicContact OE2-NH1 3.43Å; Y61-R63 HydrophobicContact CD2-CG 4.4Å; Y61-R63 HydrophobicContact CE2-CG 4.19Å
64	A	92.1	Very high	91.4	Very high	1 Å²	1	82.8 Å²	82.8	1%	0.008	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	162.1	176.7	0	0	0	0	0	111.8	L39 F40 I41 P42 V52 T53 V54	L39-A64 HydrophobicContact CD1-CB 4.05Å; L39-A64 HydrophobicContact CD2-CB 4.06Å; L39-A64 HydrophobicContact CG-CB 4.12Å; F40-A64 PolarHBondContact O-N 2.84Å; I41-A64 HydrophobicContact CG1-CB 3.99Å; P42-A64 WeakPolarHBondContact CD-O 3.26Å; V52-A64 HydrophobicContact CB-CB 3.89Å; V52-A64 HydrophobicContact CG2-CB 3.79Å; T53-A64 CarbonylContact O-C 3.57Å; T53-A64 WeakPolarHBondContact O-CA 3.17Å; T53-A64 WeakPolarHBondContact O-CB 3.32Å; V54-A64 HydrophobicContact CG2-CB 4.49Å
65	K	92	Very high	91.6	Very high	141 Å²	141	83.9 Å²	83.9	61%	0.613	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.2	170.6	-71.9	-174.9	178.2	-173.8	0	109.9	V52 T53 T55 V67	V52-K65 CarbonylContact C-O 3.55Å; V52-K65 VanDerWaalsContact CA-O 3.24Å; V52-K65 WeakPolarHBondContact CA-O 3.36Å; V52-K65 WeakPolarHBondContact CB-O 3.32Å; T53-K65 PolarHBondContact N-O 2.66Å; T53-K65 PolarHBondContact O-N 2.87Å; T55-K65 HydrophobicContact CG2-CB 4.27Å; T55-K65 HydrophobicContact CG2-CD 3.94Å; T55-K65 HydrophobicContact CG2-CG 3.79Å; K65-V67 PolarHBondContact O-N 2.84Å
66	V	93.1	Very high	91.9	Very high	53 Å²	53	83.2 Å²	83.2	32%	0.321	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.9	174.4	-173.8	0	0	0	0	109.6	I41 L44 A50 R69	I41-V66 HydrophobicContact CG2-CG2 3.6Å; L44-V66 HydrophobicContact CD1-CG2 3.98Å; L44-V66 HydrophobicContact CD2-CG1 4.36Å; L44-V66 HydrophobicContact CD2-CG2 3.74Å; L44-V66 HydrophobicContact CG-CG2 3.53Å; A50-V66 HydrophobicContact CB-CG1 4.33Å; V66-R69 HydrophobicContact CG1-CB 4.29Å
67	V	92.7	Very high	92.2	Very high	80 Å²	80	84.4 Å²	84.4	49%	0.485	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-49.7	167.6	179.7	0	0	0	0	108.8	E51 T53 K65	E51-V67 WeakPolarHBondContact O-CB 3.48Å; E51-V67 PolarHBondContact O-N 2.88Å; T53-V67 WeakPolarHBondContact OG1-CG2 3.28Å; K65-V67 PolarHBondContact O-N 2.84Å
68	R	93.5	Very high	92.6	Very high	140 Å²	140	86.2 Å²	86.2	53%	0.528	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	123.5	179.6	-176.3	169.2	63.1	154.7	3.5	109.8	A50 E51 L70	A50-R68 CarbonylContact C-O 3.43Å; A50-R68 WeakPolarHBondContact CA-O 3.36Å; E51-R68 HydrophobicContact CB-CB 4.35Å; E51-R68 PolarHBondContact N-O 3.43Å; E51-R68 PolarHBondContact O-N 2.88Å; E51-R68 IonicContact OE1-CZ 3.74Å; E51-R68 IonicContact OE1-NE 3.86Å; E51-R68 IonicContact OE1-NH2 2.72Å; E51-R68 PolarHBondContact OE1-NH2 3Å; E51-R68 IonicContact OE2-CZ 3.09Å; E51-R68 VanDerWaalsContact OE2-CZ 3.29Å; E51-R68 IonicContact OE2-NE 3.14Å; E51-R68 PolarHBondContact OE2-NE 3.1Å; E51-R68 IonicContact OE2-NH2 2.68Å; E51-R68 PolarHBondContact OE2-NH2 2.98Å; R68-L70 HydrophobicContact CG-CD2 4.28Å
69	R	94.5	Very high	92.9	Very high	95 Å²	95	83.2 Å²	83.2	36%	0.358	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.7	171.3	-167.4	172.6	69.8	-111.4	-0.5	108.6	L44 E48 V66 S71 D72	L44-R69 HydrophobicContact CD2-CB 4.38Å; L44-R69 HydrophobicContact CD2-CG 3.79Å; E48-R69 WeakPolarHBondContact OE2-CD 3.4Å; V66-R69 HydrophobicContact CG1-CB 4.29Å; R69-S71 VanDerWaalsContact CG-O 3.3Å; R69-S71 WeakPolarHBondContact CG-O 3.27Å; R69-D72 IonicContact CZ-OD1 2.8Å; R69-D72 VanDerWaalsContact CZ-OD1 3.23Å; R69-D72 IonicContact NE-OD1 3.66Å; R69-D72 PolarHBondContact NE-OD1 3.37Å; R69-D72 IonicContact NH2-OD1 3.52Å; R69-D72 PolarHBondContact NH2-OD1 3Å; R69-D72 IonicContact NH2-OD2 3.81Å; R69-D72 PolarHBondContact NH2-OD2 3.1Å; R69-D72 VanDerWaalsContact NH2-OD2 3.14Å
70	L	95.3	Very high	93.5	Very high	83 Å²	83	81.9 Å²	81.9	44%	0.435	40%	0.397	S	S	.	.			trans	-102.3	-24.7	-172.8	-57.9	173.8	0	0	0	112.6	T18 N49 E51 R68	T18-L70 HydrophobicContact CG2-CD1 4.06Å; N49-L70 HydrophobicContact CB-CB 4.27Å; N49-L70 WeakPolarHBondContact O-CA 3.42Å; N49-L70 WeakPolarHBondContact O-CB 3.32Å; N49-L70 PolarHBondContact O-N 3.46Å; E51-L70 HydrophobicContact CG-CD1 4.35Å; R68-L70 HydrophobicContact CG-CD2 4.28Å
71	S	95.1	Very high	94	Very high	37 Å²	37	75.5 Å²	75.5	26%	0.259	37%	0.368	S	S	.	.			trans	-144	153.6	174.4	64.3	0	0	0	0	111.1	N49 R69	N49-S71 PolarHBondContact N-OG 3.21Å; N49-S71 PolarHBondContact ND2-OG 2.83Å; N49-S71 PolarHBondContact O-N 3.18Å; R69-S71 VanDerWaalsContact CG-O 3.3Å; R69-S71 WeakPolarHBondContact CG-O 3.27Å
72	D	93.9	Very high	94.2	Very high	98 Å²	98	76.1 Å²	76.1	52%	0.524	38%	0.382	S	S	.	.			trans	-106.5	137.4	177.3	-76.7	13.9	0	0	0	109.7	R69	R69-D72 IonicContact CZ-OD1 2.8Å; R69-D72 VanDerWaalsContact CZ-OD1 3.23Å; R69-D72 IonicContact NE-OD1 3.66Å; R69-D72 PolarHBondContact NE-OD1 3.37Å; R69-D72 IonicContact NH2-OD1 3.52Å; R69-D72 PolarHBondContact NH2-OD1 3Å; R69-D72 IonicContact NH2-OD2 3.81Å; R69-D72 PolarHBondContact NH2-OD2 3.1Å; R69-D72 VanDerWaalsContact NH2-OD2 3.14Å
73	S	95	Very high	94.4	Very high	10 Å²	10	77.2 Å²	77.2	7%	0.07	39%	0.386	C	S	.	.			trans	-68.1	146.1	172	-171.4	0	0	0	0	110.1	P46 E48 E75 R76	P46-S73 WeakPolarHBondContact O-CB 3.16Å; P46-S73 PolarHBondContact O-OG 2.74Å; E48-S73 PolarHBondContact OE1-N 2.89Å; S73-E75 PolarHBondContact O-N 3.21Å; S73-E75 VanDerWaalsContact O-N 3.14Å; S73-E75 PolarHBondContact OG-N 2.68Å; S73-R76 VanDerWaalsContact O-CB 3.28Å; S73-R76 WeakPolarHBondContact O-CB 3.31Å; S73-R76 PolarHBondContact O-N 3.35Å
74	P	93.8	Very high	94.5	Very high	111 Å²	111	74.6 Å²	74.6	72%	0.721	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.8	169.4	25.5	-34.6	0	0	0	112.8	R76	P74-R76 VanDerWaalsContact C-N 3.32Å
75	E	95.5	Very high	94.4	Very high	55 Å²	55	77.6 Å²	77.6	26%	0.257	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.9	178.4	-57.7	-69.8	-173.8	0	0	113	S73 S96 L99 R102	S73-E75 PolarHBondContact O-N 3.21Å; S73-E75 VanDerWaalsContact O-N 3.14Å; S73-E75 PolarHBondContact OG-N 2.68Å; E75-S96 PolarHBondContact O-N 3.23Å; E75-S96 WeakPolarHBondContact OE2-CB 3.28Å; E75-S96 PolarHBondContact OE2-OG 2.94Å; E75-L99 HydrophobicContact CB-CB 3.96Å; E75-L99 HydrophobicContact CB-CD2 3.61Å; E75-L99 HydrophobicContact CB-CG 4.31Å; E75-L99 HydrophobicContact CG-CB 4.2Å; E75-L99 HydrophobicContact CG-CD2 4.29Å; E75-R102 IonicContact OE1-CZ 3.53Å; E75-R102 IonicContact OE1-NH2 2.63Å; E75-R102 PolarHBondContact OE1-NH2 3.09Å; E75-R102 IonicContact OE2-NH2 3.52Å
76	R	96.1	Very high	94.5	Very high	51 Å²	51	74.5 Å²	74.5	19%	0.192	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-79.6	124.7	178.9	179.8	168.1	-78.9	-86.3	-0.8	110.6	G43 L45 E48 S73 P74 H94	G43-R76 PolarHBondContact O-NH2 3.27Å; L45-R76 HydrophobicContact CD1-CB 3.86Å; L45-R76 HydrophobicContact CD1-CG 4.41Å; E48-R76 VanDerWaalsContact CD-NH2 3.32Å; E48-R76 IonicContact OE1-CZ 3.43Å; E48-R76 VanDerWaalsContact OE1-CZ 3.32Å; E48-R76 IonicContact OE1-NE 3.13Å; E48-R76 PolarHBondContact OE1-NE 3.12Å; E48-R76 IonicContact OE1-NH2 3.52Å; E48-R76 PolarHBondContact OE1-NH2 3.22Å; E48-R76 VanDerWaalsContact OE1-NH2 3.12Å; E48-R76 IonicContact OE2-CZ 3.75Å; E48-R76 IonicContact OE2-NE 3.98Å; E48-R76 IonicContact OE2-NH2 3.98Å; E48-R76 PolarHBondContact OE2-NH2 3.01Å; S73-R76 VanDerWaalsContact O-CB 3.28Å; S73-R76 WeakPolarHBondContact O-CB 3.31Å; S73-R76 PolarHBondContact O-N 3.35Å; P74-R76 VanDerWaalsContact C-N 3.32Å; R76-H94 WeakPolarHBondContact CA-O 3.43Å
77	E	95.8	Very high	94.6	Very high	105 Å²	105	72.7 Å²	72.7	49%	0.491	39%	0.391	S	S	.	.			trans	-106.7	154.2	174.8	-72.4	-69.3	178.7	0	0	111.2	P79 H94	E77-P79 WeakPolarHBondContact O-CD 3.21Å; E77-H94 PolarHBondContact N-O 3.26Å; E77-H94 WeakPolarHBondContact O-CA 3.25Å
78	T	95	Very high	94.5	Very high	123 Å²	123	70.2 Å²	70.2	76%	0.755	38%	0.382	S	S	*	.			trans	-82.4	119.7	168.5	-61.8	0	0	0	0	109	R80	T78-R80 PolarHBondContact O-N 3.34Å
79	P	95.4	Very high	94.4	Very high	44 Å²	44	65 Å²	65	29%	0.286	37%	0.372	S	S	.	.			trans	-56.6	125.8	179.2	-27	35.8	0	0	0	112.3	E77 C81 F84 Q93 H94	E77-P79 WeakPolarHBondContact O-CD 3.21Å; P79-C81 VanDerWaalsContact C-N 3.3Å; P79-C81 PolarHBondContact O-N 3.16Å; P79-F84 HydrophobicContact CB-CB 3.83Å; P79-F84 HydrophobicContact CB-CD1 3.57Å; P79-F84 HydrophobicContact CB-CE1 4.38Å; P79-F84 HydrophobicContact CB-CG 3.78Å; P79-F84 HydrophobicContact CG-CD1 3.39Å; P79-F84 HydrophobicContact CG-CE1 3.84Å; P79-F84 HydrophobicContact CG-CG 4.13Å; P79-Q93 HydrophobicContact CB-CB 3.8Å; P79-Q93 HydrophobicContact CG-CB 4.29Å; P79-H94 HydrophobicContact CG-CB 4.18Å
80	R	95.7	Very high	94.4	Very high	162 Å²	162	61.3 Å²	61.3	61%	0.611	36%	0.36	S	S	*	.	S	Bend	trans	-70.3	-26.8	178	-63.6	-168.5	-177.1	-175.3	-2.2	113.1	T78 W125 P163	T78-R80 PolarHBondContact O-N 3.34Å; R80-W125 HydrophobicContact CB-CE3 4.48Å; R80-W125 HydrophobicContact CB-CH2 3.66Å; R80-W125 HydrophobicContact CB-CZ2 4.02Å; R80-W125 HydrophobicContact CB-CZ3 3.93Å; R80-W125 VanDerWaalsContact CD-CE2 3.46Å; R80-W125 HydrophobicContact CG-CH2 3.82Å; R80-W125 HydrophobicContact CG-CZ2 3.61Å; R80-W125 HydrophobicContact CG-CZ3 4.39Å; R80-W125 VanDerWaalsContact CZ-CD1 3.47Å; R80-W125 VanDerWaalsContact NH1-CD1 3.29Å; R80-P163 HydrophobicContact CB-CB 4.44Å; R80-P163 HydrophobicContact CB-CG 4.11Å
81	C	96	Very high	94.3	Very high	14 Å²	14	60.4 Å²	60.4	10%	0.095	35%	0.353	C	S	.	.			trans	-89.5	124.8	-177.6	-175.4	0	0	0	0	110.8	P79 H83 F84 P163	P79-C81 VanDerWaalsContact C-N 3.3Å; P79-C81 PolarHBondContact O-N 3.16Å; C81-H83 PolarHBondContact O-N 2.79Å; C81-H83 VanDerWaalsContact O-N 3.14Å; C81-H83 PolarHBondContact SG-N 2.79Å; C81-H83 VanDerWaalsContact SG-N 3.42Å; C81-F84 HydrophobicContact CB-CB 4.33Å; C81-F84 VanDerWaalsContact O-CB 3.27Å; C81-F84 WeakPolarHBondContact O-CB 3.36Å; C81-F84 PolarHBondContact O-N 3.05Å; C81-F84 VanDerWaalsContact O-N 3.11Å; C81-P163 HydrophobicContact CB-CG 3.79Å
82	P	95.1	Very high	94.2	Very high	90 Å²	90	58.6 Å²	58.6	58%	0.584	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.3	176.1	27.6	-34.5	0	0	0	113
83	H	95.7	Very high	94.3	Very high	28 Å²	28	54.1 Å²	54.1	13%	0.13	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.6	178.6	-50.5	-74.2	0	0	0	113	C81 V86 C87 V157 D158 K160 Q161	C81-H83 PolarHBondContact O-N 2.79Å; C81-H83 VanDerWaalsContact O-N 3.14Å; C81-H83 PolarHBondContact SG-N 2.79Å; C81-H83 VanDerWaalsContact SG-N 3.42Å; H83-V86 PolarHBondContact O-N 2.79Å; H83-C87 HydrophobicContact CB-CB 4.02Å; H83-C87 VanDerWaalsContact O-CB 3.32Å; H83-C87 WeakPolarHBondContact O-CB 3.5Å; H83-C87 PolarHBondContact O-N 2.86Å; H83-V157 HydrophobicContact CB-CG1 4.09Å; H83-D158 PolarHBondContact CE1-O 3.19Å; H83-K160 PolarHBondContact NE2-N 3.07Å; H83-Q161 PolarHBondContact CD2-O 3.34Å
84	F	94.2	Very high	94.3	Very high	45 Å²	45	54 Å²	54	20%	0.197	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	143	-179.7	-177.2	-101.7	0	0	0	111.5	P79 C81 V86 C90 Q91 Q93 H94	P79-F84 HydrophobicContact CB-CB 3.83Å; P79-F84 HydrophobicContact CB-CD1 3.57Å; P79-F84 HydrophobicContact CB-CE1 4.38Å; P79-F84 HydrophobicContact CB-CG 3.78Å; P79-F84 HydrophobicContact CG-CD1 3.39Å; P79-F84 HydrophobicContact CG-CE1 3.84Å; P79-F84 HydrophobicContact CG-CG 4.13Å; C81-F84 HydrophobicContact CB-CB 4.33Å; C81-F84 VanDerWaalsContact O-CB 3.27Å; C81-F84 WeakPolarHBondContact O-CB 3.36Å; C81-F84 PolarHBondContact O-N 3.05Å; C81-F84 VanDerWaalsContact O-N 3.11Å; F84-V86 PolarHBondContact O-N 2.95Å; F84-C90 HydrophobicContact CD2-CB 3.94Å; F84-C90 HydrophobicContact CE2-CB 4.16Å; F84-Q91 VanDerWaalsContact CE2-C 3.48Å; F84-Q91 WeakPolarHBondContact CZ-O 3.47Å; F84-Q93 HydrophobicContact CD1-CB 4.34Å; F84-Q93 HydrophobicContact CD2-CB 3.6Å; F84-Q93 HydrophobicContact CD2-CG 3.63Å; F84-Q93 HydrophobicContact CE1-CB 4.42Å; F84-Q93 HydrophobicContact CE2-CB 3.71Å; F84-Q93 HydrophobicContact CE2-CG 3.93Å; F84-Q93 HydrophobicContact CG-CB 3.95Å; F84-Q93 HydrophobicContact CG-CG 4.3Å; F84-Q93 HydrophobicContact CZ-CB 4.14Å; F84-H94 HydrophobicContact CE1-CB 4.18Å; F84-H94 AromaticContact CE1-ND1 3.65Å; F84-H94 AromaticContact CZ-ND1 3.35Å; F84-H94 VanDerWaalsContact CZ-ND1 3.35Å; F84-H94 WeakPolarHBondContact CZ-ND1 3.23Å
85	G	89.6	Confident	94.3	Very high	65 Å²	65	48.8 Å²	48.8	67%	0.67	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-15.8	-173.7	0	0	0	0	0	114.8
86	V	93.3	Very high	94.3	Very high	76 Å²	76	46.6 Å²	46.6	46%	0.461	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-46.9	174.7	-173.9	0	0	0	0	111.2	H83 F84 K150 A151 V157	H83-V86 PolarHBondContact O-N 2.79Å; F84-V86 PolarHBondContact O-N 2.95Å; V86-K150 HydrophobicContact CG1-CD 4.3Å; V86-K150 HydrophobicContact CG1-CG 4.19Å; V86-K150 WeakPolarHBondContact O-CA 3.48Å; V86-A151 PolarHBondContact O-N 3.44Å; V86-V157 HydrophobicContact CG1-CG2 3.83Å
87	C	94.6	Very high	94.3	Very high	14 Å²	14	46 Å²	46	10%	0.095	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-67.4	133.2	176.5	-179	0	0	0	0	111	H83 G89 V157	H83-C87 HydrophobicContact CB-CB 4.02Å; H83-C87 VanDerWaalsContact O-CB 3.32Å; H83-C87 WeakPolarHBondContact O-CB 3.5Å; H83-C87 PolarHBondContact O-N 2.86Å; C87-G89 PolarHBondContact O-N 2.66Å; C87-G89 PolarHBondContact SG-N 3.13Å; C87-G89 VanDerWaalsContact SG-N 3.35Å; C87-V157 HydrophobicContact CB-CG1 4.48Å; C87-V157 HydrophobicContact CB-CG2 4.3Å
88	G	91.4	Very high	94.3	Very high	29 Å²	29	45.8 Å²	45.8	30%	0.299	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.8	176.1	0	0	0	0	0	114.5	Q91 R149	G88-Q91 PolarHBondContact O-NE2 2.87Å; G88-R149 WeakPolarHBondContact CA-O 3.31Å; G88-R149 PolarHBondContact N-O 3.21Å
89	G	91.7	Very high	94.3	Very high	31 Å²	31	40.2 Å²	40.2	32%	0.32	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-31.3	-176.5	0	0	0	0	0	115	C87 T420	C87-G89 PolarHBondContact O-N 2.66Å; C87-G89 PolarHBondContact SG-N 3.13Å; C87-G89 VanDerWaalsContact SG-N 3.35Å; G89-T420 WeakPolarHBondContact O-CG2 3.33Å
90	C	93.8	Very high	94.2	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.108	23%	0.228	C	C	.	.			trans	-130.7	142.6	-177.8	-59.8	0	0	0	0	110.3	F84 Q93 H419	F84-C90 HydrophobicContact CD2-CB 3.94Å; F84-C90 HydrophobicContact CE2-CB 4.16Å; C90-Q93 HydrophobicContact CB-CG 4.07Å; C90-Q93 PolarHBondContact SG-NE2 2.87Å; C90-Q93 VanDerWaalsContact SG-NE2 3.38Å; C90-H419 CarbonylContact C-O 3.53Å; C90-H419 WeakPolarHBondContact CA-O 3.48Å; C90-H419 HydrophobicContact CB-CB 4.39Å
91	Q	93.1	Very high	94.2	Very high	64 Å²	64	32 Å²	32	30%	0.299	21%	0.207	S	C	.	.	S	Bend	trans	-121.1	-21.1	-179.1	-62.4	77.8	47.7	0	0	113.3	F27 F84 G88 H94 H419	F27-Q91 WeakPolarHBondContact O-CB 3.49Å; F84-Q91 VanDerWaalsContact CE2-C 3.48Å; F84-Q91 WeakPolarHBondContact CZ-O 3.47Å; G88-Q91 PolarHBondContact O-NE2 2.87Å; Q91-H94 PolarHBondContact O-CE1 3.43Å; Q91-H94 VanDerWaalsContact O-CE1 3.27Å; Q91-H419 PolarHBondContact N-O 2.95Å
92	Q	93.8	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.225	C	C	.	.			trans	-126.9	19.5	-164.7	-71.4	176.6	-127.7	0	0	115	S26 G28 H94 A95 Q100 H419	S26-Q92 PolarHBondContact O-OE1 3.35Å; G28-Q92 VanDerWaalsContact CA-CD 3.47Å; Q92-H94 PolarHBondContact O-N 2.64Å; Q92-A95 PolarHBondContact O-N 3.44Å; Q92-Q100 HydrophobicContact CB-CG 4.03Å; Q92-Q100 PolarHBondContact O-NE2 3.12Å; Q92-H419 PolarHBondContact N-O 3.23Å
93	Q	96	Very high	94	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.014	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.8	178.1	-66.3	-168.9	4.9	0	0	114.7	P79 F84 C90 A95 W125 H419	P79-Q93 HydrophobicContact CB-CB 3.8Å; P79-Q93 HydrophobicContact CG-CB 4.29Å; F84-Q93 HydrophobicContact CD1-CB 4.34Å; F84-Q93 HydrophobicContact CD2-CB 3.6Å; F84-Q93 HydrophobicContact CD2-CG 3.63Å; F84-Q93 HydrophobicContact CE1-CB 4.42Å; F84-Q93 HydrophobicContact CE2-CB 3.71Å; F84-Q93 HydrophobicContact CE2-CG 3.93Å; F84-Q93 HydrophobicContact CG-CB 3.95Å; F84-Q93 HydrophobicContact CG-CG 4.3Å; F84-Q93 HydrophobicContact CZ-CB 4.14Å; C90-Q93 HydrophobicContact CB-CG 4.07Å; C90-Q93 PolarHBondContact SG-NE2 2.87Å; C90-Q93 VanDerWaalsContact SG-NE2 3.38Å; Q93-A95 VanDerWaalsContact C-N 3.35Å; Q93-W125 HydrophobicContact CB-CH2 4.26Å; Q93-W125 HydrophobicContact CG-CH2 3.75Å; Q93-W125 HydrophobicContact CG-CZ3 4.29Å; Q93-H419 HydrophobicContact CG-CB 3.71Å
94	H	94.2	Very high	93.9	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.032	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.8	176	63.7	-70.8	0	0	0	112.7	L45 R76 E77 P79 F84 Q91 Q92	L45-H94 WeakPolarHBondContact CD1-O 3.4Å; L45-H94 VanDerWaalsContact CD2-CD2 3.45Å; L45-H94 WeakPolarHBondContact CD2-CD2 3.35Å; L45-H94 WeakPolarHBondContact CD2-NE2 3.25Å; R76-H94 WeakPolarHBondContact CA-O 3.43Å; E77-H94 PolarHBondContact N-O 3.26Å; E77-H94 WeakPolarHBondContact O-CA 3.25Å; P79-H94 HydrophobicContact CG-CB 4.18Å; F84-H94 HydrophobicContact CE1-CB 4.18Å; F84-H94 AromaticContact CE1-ND1 3.65Å; F84-H94 AromaticContact CZ-ND1 3.35Å; F84-H94 VanDerWaalsContact CZ-ND1 3.35Å; F84-H94 WeakPolarHBondContact CZ-ND1 3.23Å; Q91-H94 PolarHBondContact O-CE1 3.43Å; Q91-H94 VanDerWaalsContact O-CE1 3.27Å; Q92-H94 PolarHBondContact O-N 2.64Å
95	A	94.9	Very high	93.9	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-105.2	139.7	175.5	0	0	0	0	0	109.9	L24 L45 Q92 Q93 L99 Q100	L24-A95 HydrophobicContact CD2-CB 4.47Å; L45-A95 HydrophobicContact CD1-CB 4.38Å; L45-A95 HydrophobicContact CD2-CB 3.79Å; Q92-A95 PolarHBondContact O-N 3.44Å; Q93-A95 VanDerWaalsContact C-N 3.35Å; A95-L99 HydrophobicContact CB-CD2 4Å; A95-L99 HydrophobicContact CB-CG 4.43Å; A95-Q100 HydrophobicContact CB-CG 4.02Å; A95-Q100 PolarHBondContact O-NE2 3.4Å
96	S	95.8	Very high	94	Very high	10 Å²	10	30 Å²	30	7%	0.07	18%	0.177	C	C	.	.			trans	-54	151.3	169.5	73.2	0	0	0	0	111.1	E75 D98 L99 Q100	E75-S96 PolarHBondContact O-N 3.23Å; E75-S96 WeakPolarHBondContact OE2-CB 3.28Å; E75-S96 PolarHBondContact OE2-OG 2.94Å; S96-D98 PolarHBondContact O-N 2.8Å; S96-L99 PolarHBondContact O-N 3.07Å; S96-L99 VanDerWaalsContact OG-CB 3.28Å; S96-L99 WeakPolarHBondContact OG-CB 3.36Å; S96-L99 PolarHBondContact OG-N 2.78Å; S96-L99 VanDerWaalsContact OG-N 3.08Å; S96-Q100 VanDerWaalsContact O-CG 3.3Å; S96-Q100 WeakPolarHBondContact O-CG 3.49Å; S96-Q100 PolarHBondContact O-N 3.06Å
97	V	95.7	Very high	93.9	Very high	37 Å²	37	27 Å²	27	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-41.5	177.7	175.6	0	0	0	0	110.2	L99 Q100 Q101 P124	V97-L99 PolarHBondContact O-N 3.03Å; V97-Q100 WeakPolarHBondContact O-CB 3.19Å; V97-Q100 PolarHBondContact O-N 2.8Å; V97-Q100 VanDerWaalsContact O-N 3.12Å; V97-Q101 HydrophobicContact CG1-CG 4.24Å; V97-Q101 WeakPolarHBondContact O-CG 3.37Å; V97-Q101 PolarHBondContact O-N 3.29Å; V97-P124 HydrophobicContact CG2-CB 3.58Å; V97-P124 HydrophobicContact CG2-CG 4Å
98	D	95.3	Very high	93.9	Very high	102 Å²	102	26.4 Å²	26.4	55%	0.545	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-43.8	177.3	-66.3	-3.8	0	0	0	112.2	S96 Q101 R102	S96-D98 PolarHBondContact O-N 2.8Å; D98-Q101 PolarHBondContact O-N 3.41Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.32Å; D98-R102 PolarHBondContact O-N 2.96Å; D98-R102 PolarHBondContact O-NE 3.17Å
99	L	94.5	Very high	94	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.3	177.2	61.3	0	0	0	111.6	L24 L45 P46 E75 A95 S96 V97 S103	L24-L99 HydrophobicContact CD2-CD2 4.42Å; L24-L99 HydrophobicContact CD2-CG 4.3Å; L45-L99 HydrophobicContact CB-CD2 4.34Å; L45-L99 HydrophobicContact CD1-CD2 4.09Å; L45-L99 HydrophobicContact CD2-CD2 4.09Å; L45-L99 HydrophobicContact CG-CD2 4.41Å; P46-L99 HydrophobicContact CG-CD1 4.2Å; E75-L99 HydrophobicContact CB-CB 3.96Å; E75-L99 HydrophobicContact CB-CD2 3.61Å; E75-L99 HydrophobicContact CB-CG 4.31Å; E75-L99 HydrophobicContact CG-CB 4.2Å; E75-L99 HydrophobicContact CG-CD2 4.29Å; A95-L99 HydrophobicContact CB-CD2 4Å; A95-L99 HydrophobicContact CB-CG 4.43Å; S96-L99 PolarHBondContact O-N 3.07Å; S96-L99 VanDerWaalsContact OG-CB 3.28Å; S96-L99 WeakPolarHBondContact OG-CB 3.36Å; S96-L99 PolarHBondContact OG-N 2.78Å; S96-L99 VanDerWaalsContact OG-N 3.08Å; V97-L99 PolarHBondContact O-N 3.03Å; L99-S103 VanDerWaalsContact O-CB 3.26Å; L99-S103 WeakPolarHBondContact O-CB 3.41Å; L99-S103 PolarHBondContact O-N 3.14Å; L99-S103 PolarHBondContact O-OG 2.85Å
100	Q	94.8	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-49.2	175.6	-63.2	173.1	50.2	0	0	110.6	Q92 A95 S96 V97 S103 K104 H419	Q92-Q100 HydrophobicContact CB-CG 4.03Å; Q92-Q100 PolarHBondContact O-NE2 3.12Å; A95-Q100 HydrophobicContact CB-CG 4.02Å; A95-Q100 PolarHBondContact O-NE2 3.4Å; S96-Q100 VanDerWaalsContact O-CG 3.3Å; S96-Q100 WeakPolarHBondContact O-CG 3.49Å; S96-Q100 PolarHBondContact O-N 3.06Å; V97-Q100 WeakPolarHBondContact O-CB 3.19Å; V97-Q100 PolarHBondContact O-N 2.8Å; V97-Q100 VanDerWaalsContact O-N 3.12Å; Q100-S103 PolarHBondContact O-N 3.49Å; Q100-K104 VanDerWaalsContact O-CB 3.31Å; Q100-K104 WeakPolarHBondContact O-CB 3.45Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.44Å; Q100-K104 PolarHBondContact O-N 3.24Å; Q100-H419 PolarHBondContact NE2-CD2 2.83Å; Q100-H419 VanDerWaalsContact NE2-CD2 3.34Å; Q100-H419 VanDerWaalsContact OE1-CA 3.25Å
101	Q	95.4	Very high	93.9	Very high	34 Å²	34	35 Å²	35	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-47.3	-178.6	-67.6	178.8	-3.6	0	0	111.5	V97 D98 S103 K104 S105 V119 M413 D415	V97-Q101 HydrophobicContact CG1-CG 4.24Å; V97-Q101 WeakPolarHBondContact O-CG 3.37Å; V97-Q101 PolarHBondContact O-N 3.29Å; D98-Q101 PolarHBondContact O-N 3.41Å; Q101-S103 VanDerWaalsContact C-N 3.35Å; Q101-S103 PolarHBondContact O-N 2.89Å; Q101-K104 PolarHBondContact O-N 2.88Å; Q101-S105 VanDerWaalsContact O-CB 3.31Å; Q101-S105 WeakPolarHBondContact O-CB 3.39Å; Q101-S105 PolarHBondContact O-N 3.3Å; Q101-S105 PolarHBondContact O-OG 3.5Å; Q101-S105 VanDerWaalsContact O-OG 3.04Å; Q101-V119 HydrophobicContact CB-CG1 4.37Å; Q101-V119 HydrophobicContact CG-CG1 4.1Å; Q101-M413 HydrophobicContact CB-CE 3.81Å; Q101-M413 HydrophobicContact CG-CE 3.89Å; Q101-D415 HydrophobicContact CG-CB 4.48Å; Q101-D415 PolarHBondContact NE2-OD2 2.83Å
102	R	93.6	Very high	93.9	Very high	126 Å²	126	32.6 Å²	32.6	48%	0.475	17%	0.167	S	C	.	.	H	α-helix	trans	-58.7	-44.2	175.9	-74.8	-176.2	-66.5	115.9	-8.5	112.4	E75 D98 A106	E75-R102 IonicContact OE1-CZ 3.53Å; E75-R102 IonicContact OE1-NH2 2.63Å; E75-R102 PolarHBondContact OE1-NH2 3.09Å; E75-R102 IonicContact OE2-NH2 3.52Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.32Å; D98-R102 PolarHBondContact O-N 2.96Å; D98-R102 PolarHBondContact O-NE 3.17Å; R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.45Å; R102-A106 PolarHBondContact O-N 3.21Å
103	S	92.1	Very high	93.9	Very high	15 Å²	15	41.9 Å²	41.9	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-43.4	-179.2	-55.2	0	0	0	0	111.7	L99 Q100 Q101 A107	L99-S103 VanDerWaalsContact O-CB 3.26Å; L99-S103 WeakPolarHBondContact O-CB 3.41Å; L99-S103 PolarHBondContact O-N 3.14Å; L99-S103 PolarHBondContact O-OG 2.85Å; Q100-S103 PolarHBondContact O-N 3.49Å; Q101-S103 VanDerWaalsContact C-N 3.35Å; Q101-S103 PolarHBondContact O-N 2.89Å; S103-A107 PolarHBondContact O-N 3.23Å
104	K	93.7	Very high	93.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-47.4	175.8	-79.2	-178.6	-170.8	-172.3	0	112	Q100 Q101 A106 A107 L108 M413 D415 T420 H422 L423	Q100-K104 VanDerWaalsContact O-CB 3.31Å; Q100-K104 WeakPolarHBondContact O-CB 3.45Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.44Å; Q100-K104 PolarHBondContact O-N 3.24Å; Q101-K104 PolarHBondContact O-N 2.88Å; K104-A106 PolarHBondContact O-N 2.91Å; K104-A107 WeakPolarHBondContact O-CB 3.15Å; K104-A107 PolarHBondContact O-N 3.04Å; K104-L108 PolarHBondContact O-N 3.34Å; K104-M413 HydrophobicContact CB-CE 3.95Å; K104-M413 HydrophobicContact CB-CG 4.17Å; K104-M413 HydrophobicContact CB-SD 4.11Å; K104-M413 HydrophobicContact CD-CE 4.39Å; K104-M413 HydrophobicContact CD-SD 4.19Å; K104-D415 IonicContact NZ-OD1 2.66Å; K104-D415 PolarHBondContact NZ-OD1 2.87Å; K104-T420 VanDerWaalsContact CE-O 3.3Å; K104-T420 WeakPolarHBondContact CE-O 3.31Å; K104-T420 PolarHBondContact NZ-O 2.89Å; K104-H422 VanDerWaalsContact CE-O 3.23Å; K104-H422 WeakPolarHBondContact CE-O 3.49Å; K104-H422 PolarHBondContact NZ-O 3.34Å; K104-L423 HydrophobicContact CB-CD1 3.84Å; K104-L423 HydrophobicContact CD-CD1 4.47Å; K104-L423 HydrophobicContact CG-CD1 4.26Å
105	S	94.6	Very high	93.6	Very high	19 Å²	19	52 Å²	52	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-41.3	176.8	-65.3	0	0	0	0	111.9	Q101 A107 L108 A109 V116 V119	Q101-S105 VanDerWaalsContact O-CB 3.31Å; Q101-S105 WeakPolarHBondContact O-CB 3.39Å; Q101-S105 PolarHBondContact O-N 3.3Å; Q101-S105 PolarHBondContact O-OG 3.5Å; Q101-S105 VanDerWaalsContact O-OG 3.04Å; S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 2.84Å; S105-L108 PolarHBondContact O-N 3.45Å; S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.23Å; S105-A109 PolarHBondContact O-N 2.97Å; S105-V116 WeakPolarHBondContact O-CG2 3.23Å; S105-V119 WeakPolarHBondContact OG-CG2 3.4Å
106	A	91.9	Very high	93.6	Very high	39 Å²	39	53 Å²	53	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-38.2	175	0	0	0	0	0	112.4	R102 K104 R110	R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.45Å; R102-A106 PolarHBondContact O-N 3.21Å; K104-A106 PolarHBondContact O-N 2.91Å; A106-R110 WeakPolarHBondContact O-CG 3.31Å; A106-R110 PolarHBondContact O-N 2.8Å; A106-R110 VanDerWaalsContact O-N 3.13Å; A106-R110 PolarHBondContact O-NE 2.87Å
107	A	91	Very high	93.5	Very high	14 Å²	14	55.2 Å²	55.2	12%	0.116	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-44.5	174.6	0	0	0	0	0	112.1	S103 K104 S105 R110 L111 L423	S103-A107 PolarHBondContact O-N 3.23Å; K104-A107 WeakPolarHBondContact O-CB 3.15Å; K104-A107 PolarHBondContact O-N 3.04Å; S105-A107 VanDerWaalsContact C-N 3.34Å; S105-A107 PolarHBondContact O-N 2.84Å; A107-R110 PolarHBondContact O-N 3.43Å; A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 2.8Å; A107-L111 VanDerWaalsContact O-N 3.15Å; A107-L423 HydrophobicContact CB-CD2 4.18Å
108	L	93.9	Very high	93.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-46.7	176.1	-179.2	60.4	0	0	0	111.5	K104 S105 R110 L111 M112 V116 P391 L411 M413 L423	K104-L108 PolarHBondContact O-N 3.34Å; S105-L108 PolarHBondContact O-N 3.45Å; L108-R110 VanDerWaalsContact C-N 3.32Å; L108-R110 PolarHBondContact O-N 3.48Å; L108-L111 PolarHBondContact O-N 3.2Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L108-M112 HydrophobicContact CD1-CG 3.82Å; L108-M112 HydrophobicContact CG-CG 4.4Å; L108-M112 WeakPolarHBondContact O-CG 3.43Å; L108-M112 PolarHBondContact O-N 2.81Å; L108-V116 HydrophobicContact CB-CG2 4.1Å; L108-V116 HydrophobicContact CD2-CG2 3.87Å; L108-V116 HydrophobicContact CG-CG2 4.05Å; L108-P391 HydrophobicContact CD1-CB 3.87Å; L108-L411 HydrophobicContact CD1-CD1 4.36Å; L108-L411 HydrophobicContact CD2-CD1 4.08Å; L108-L411 HydrophobicContact CD2-CD2 4.43Å; L108-L411 HydrophobicContact CD2-CG 4.14Å; L108-L411 HydrophobicContact CG-CD1 4.26Å; L108-L411 HydrophobicContact CG-CD2 4.12Å; L108-L411 HydrophobicContact CG-CG 4.34Å; L108-M413 HydrophobicContact CD2-CB 4.03Å; L108-M413 HydrophobicContact CD2-CG 4.38Å; L108-L423 HydrophobicContact CB-CD2 4.32Å
109	A	94.2	Very high	93.6	Very high	26 Å²	26	53.1 Å²	53.1	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-41.6	179.4	0	0	0	0	0	112.4	S105 K113 H114 V116	S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.23Å; S105-A109 PolarHBondContact O-N 2.97Å; A109-K113 VanDerWaalsContact O-CA 3.29Å; A109-K113 WeakPolarHBondContact O-CA 3.2Å; A109-K113 PolarHBondContact O-N 3.31Å; A109-H114 WeakPolarHBondContact CA-O 3.28Å; A109-H114 WeakPolarHBondContact CB-O 3.34Å; A109-H114 PolarHBondContact O-N 2.9Å; A109-V116 HydrophobicContact CB-CG2 4.19Å
110	R	91.7	Very high	93.8	Very high	153 Å²	153	53.3 Å²	53.3	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-64.9	-39.5	175.8	-74.5	-175.1	-60.7	-105	2.9	112.7	A106 A107 L108	A106-R110 WeakPolarHBondContact O-CG 3.31Å; A106-R110 PolarHBondContact O-N 2.8Å; A106-R110 VanDerWaalsContact O-N 3.13Å; A106-R110 PolarHBondContact O-NE 2.87Å; A107-R110 PolarHBondContact O-N 3.43Å; L108-R110 VanDerWaalsContact C-N 3.32Å; L108-R110 PolarHBondContact O-N 3.48Å
111	L	91.7	Very high	93.8	Very high	79 Å²	79	54.5 Å²	54.5	41%	0.414	28%	0.275	S	S	.	.	H	α-helix	trans	-70.3	-44.4	179.6	-76.6	167.3	0	0	0	111.8	A107 L108 K113 P391	A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 2.8Å; A107-L111 VanDerWaalsContact O-N 3.15Å; L108-L111 PolarHBondContact O-N 3.2Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-P391 HydrophobicContact CD1-CB 3.71Å; L111-P391 HydrophobicContact CD1-CG 3.77Å
112	M	93.7	Very high	93.9	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-81.1	-12.6	-179.1	-63.9	-59.2	-64.3	0	0	113.4	L108 H114 L394 A395 S398 I408 L411 V427	L108-M112 HydrophobicContact CD1-CG 3.82Å; L108-M112 HydrophobicContact CG-CG 4.4Å; L108-M112 WeakPolarHBondContact O-CG 3.43Å; L108-M112 PolarHBondContact O-N 2.81Å; M112-H114 HydrophobicContact CB-CB 4.28Å; M112-H114 PolarHBondContact O-N 3.13Å; M112-L394 HydrophobicContact CE-CD2 4.23Å; M112-L394 HydrophobicContact CE-CG 4.06Å; M112-L394 HydrophobicContact SD-CB 4.36Å; M112-L394 HydrophobicContact SD-CD2 3.84Å; M112-L394 HydrophobicContact SD-CG 3.74Å; M112-A395 HydrophobicContact SD-CB 4.01Å; M112-S398 WeakPolarHBondContact CE-OG 3.35Å; M112-I408 HydrophobicContact CE-CD1 3.71Å; M112-L411 HydrophobicContact CB-CD2 3.69Å; M112-L411 HydrophobicContact CG-CD1 4.08Å; M112-L411 HydrophobicContact CG-CD2 3.79Å; M112-V427 HydrophobicContact CE-CG2 4.27Å
113	K	92.4	Very high	93.9	Very high	195 Å²	195	53.2 Å²	53.2	85%	0.848	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	35.7	-170.4	-55	178	-175.3	171	0	112.1	A109 L111	A109-K113 VanDerWaalsContact O-CA 3.29Å; A109-K113 WeakPolarHBondContact O-CA 3.2Å; A109-K113 PolarHBondContact O-N 3.31Å; L111-K113 VanDerWaalsContact C-N 3.32Å
114	H	91.8	Very high	94	Very high	61 Å²	61	54.4 Å²	54.4	28%	0.282	29%	0.289	S	S	.	.	S	Bend	trans	-143.7	142.7	-177.5	-168.3	-74.5	0	0	0	108.9	A109 M112 I408 L411	A109-H114 WeakPolarHBondContact CA-O 3.28Å; A109-H114 WeakPolarHBondContact CB-O 3.34Å; A109-H114 PolarHBondContact O-N 2.9Å; M112-H114 HydrophobicContact CB-CB 4.28Å; M112-H114 PolarHBondContact O-N 3.13Å; H114-I408 HydrophobicContact CB-CD1 4.45Å; H114-I408 HydrophobicContact CB-CG2 4.48Å; H114-I408 PolarHBondContact NE2-O 3.17Å; H114-L411 HydrophobicContact CB-CD2 4.24Å
115	E	92.8	Very high	94.2	Very high	160 Å²	160	56.5 Å²	56.5	75%	0.748	30%	0.297	S	S	*	.			trans	-65.3	141.5	177.2	-172.4	175.1	-173.2	0	0	111.2	S117	E115-S117 PolarHBondContact O-N 2.85Å
116	V	94.8	Very high	94.2	Very high	24 Å²	24	56.5 Å²	56.5	15%	0.145	30%	0.299	C	S	.	.			trans	-76.4	112.2	172.7	175.3	0	0	0	0	108	S105 L108 A109 E118 L411 M413	S105-V116 WeakPolarHBondContact O-CG2 3.23Å; L108-V116 HydrophobicContact CB-CG2 4.1Å; L108-V116 HydrophobicContact CD2-CG2 3.87Å; L108-V116 HydrophobicContact CG-CG2 4.05Å; A109-V116 HydrophobicContact CB-CG2 4.19Å; V116-E118 WeakPolarHBondContact CG1-O 3.4Å; V116-L411 CarbonylContact C-O 3.41Å; V116-L411 WeakPolarHBondContact CA-O 3.48Å; V116-L411 HydrophobicContact CG2-CD2 4.09Å; V116-L411 HydrophobicContact CG2-CG 4.33Å; V116-M413 HydrophobicContact CG1-CB 4.05Å
117	S	94.5	Very high	94.5	Very high	56 Å²	56	55 Å²	55	39%	0.392	29%	0.285	S	S	.	.			trans	-66.9	-34.2	-178	-46	0	0	0	0	113	E115 L411	E115-S117 PolarHBondContact O-N 2.85Å; S117-L411 WeakPolarHBondContact CA-O 3.36Å; S117-L411 WeakPolarHBondContact CB-O 3.32Å; S117-L411 PolarHBondContact N-O 3.42Å; S117-L411 PolarHBondContact OG-N 3.4Å; S117-L411 VanDerWaalsContact OG-N 3.08Å; S117-L411 PolarHBondContact OG-O 2.97Å
118	E	96.3	Very high	94.7	Very high	40 Å²	40	57.4 Å²	57.4	19%	0.187	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	161.7	-178.8	63.9	-176	105.3	0	0	113.2	V116 I120 R277 W281 A412 M413	V116-E118 WeakPolarHBondContact CG1-O 3.4Å; E118-I120 HydrophobicContact CG-CG1 4.43Å; E118-R277 VanDerWaalsContact CD-NH2 3.26Å; E118-R277 IonicContact OE1-CZ 3.95Å; E118-R277 VanDerWaalsContact OE1-CZ 3.29Å; E118-R277 IonicContact OE1-NE 3Å; E118-R277 PolarHBondContact OE1-NE 3.35Å; E118-R277 IonicContact OE1-NH2 2.79Å; E118-R277 PolarHBondContact OE1-NH2 2.88Å; E118-R277 VanDerWaalsContact OE1-NH2 3.09Å; E118-R277 IonicContact OE2-CZ 2.66Å; E118-R277 VanDerWaalsContact OE2-CZ 3.24Å; E118-R277 IonicContact OE2-NE 3.53Å; E118-R277 PolarHBondContact OE2-NE 2.89Å; E118-R277 IonicContact OE2-NH2 2.63Å; E118-R277 PolarHBondContact OE2-NH2 3.29Å; E118-W281 HydrophobicContact CG-CZ2 4.29Å; E118-W281 VanDerWaalsContact OE1-CZ2 3.3Å; E118-W281 WeakPolarHBondContact OE1-CZ2 3.17Å; E118-A412 HydrophobicContact CG-CB 3.64Å; E118-A412 VanDerWaalsContact O-CA 3.27Å; E118-A412 WeakPolarHBondContact O-CA 3.16Å; E118-M413 PolarHBondContact O-N 3.08Å
119	V	97.1	Very high	94.8	Very high	55 Å²	55	58.6 Å²	58.6	33%	0.333	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.4	170	177.4	0	0	0	0	108.7	Q101 S105 A121 M413	Q101-V119 HydrophobicContact CB-CG1 4.37Å; Q101-V119 HydrophobicContact CG-CG1 4.1Å; S105-V119 WeakPolarHBondContact OG-CG2 3.4Å; V119-A121 HydrophobicContact CG1-CB 4.29Å; V119-M413 CarbonylContact C-O 3.57Å; V119-M413 WeakPolarHBondContact CA-O 3.27Å; V119-M413 HydrophobicContact CB-CE 4.5Å; V119-M413 HydrophobicContact CG1-CE 3.63Å; V119-M413 HydrophobicContact CG2-CB 4.4Å; V119-M413 HydrophobicContact CG2-CE 4.1Å
120	I	96.9	Very high	94.8	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	107.8	175	-53.4	-174.1	0	0	0	107.9	E118 V270 K273 R277 A412 M413 L414 D415 M426	E118-I120 HydrophobicContact CG-CG1 4.43Å; I120-V270 HydrophobicContact CG2-CG1 4.45Å; I120-K273 HydrophobicContact CG2-CB 3.57Å; I120-K273 HydrophobicContact CG2-CD 4.45Å; I120-R277 HydrophobicContact CD1-CB 3.82Å; I120-R277 HydrophobicContact CD1-CG 3.81Å; I120-A412 HydrophobicContact CD1-CB 4.29Å; I120-A412 HydrophobicContact CG1-CB 4.3Å; I120-M413 PolarHBondContact N-O 2.53Å; I120-L414 HydrophobicContact CB-CD2 3.75Å; I120-L414 HydrophobicContact CD1-CD2 3.59Å; I120-L414 HydrophobicContact CG1-CD2 3.88Å; I120-L414 HydrophobicContact CG2-CD2 4.48Å; I120-D415 PolarHBondContact O-N 2.94Å; I120-M426 HydrophobicContact CD1-CE 3.91Å
121	A	96.4	Very high	95	Very high	25 Å²	25	51.8 Å²	51.8	21%	0.207	27%	0.265	C	S	.	.			trans	-132	164.4	-177.3	0	0	0	0	0	112	V119 K273 D415	V119-A121 HydrophobicContact CG1-CB 4.29Å; A121-K273 WeakPolarHBondContact O-CD 3.49Å; A121-K273 PolarHBondContact O-NZ 3.32Å; A121-D415 HydrophobicContact CB-CB 4.07Å
122	D	95.9	Very high	95.2	Very high	58 Å²	58	54.7 Å²	54.7	31%	0.31	27%	0.27	S	S	.	.			trans	-140.9	-154.5	173.2	-157.5	-102.4	0	0	0	109.7	V270 K273	D122-V270 HydrophobicContact CB-CG2 3.61Å; D122-K273 WeakPolarHBondContact OD2-CE 3.15Å; D122-K273 IonicContact OD2-NZ 2.95Å; D122-K273 PolarHBondContact OD2-NZ 3.22Å
123	V	94.4	Very high	95.3	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.448	27%	0.267	S	S	.	.			trans	-58.8	127.3	-179.6	-64.3	0	0	0	0	111.2	W125 Y127	V123-W125 VanDerWaalsContact C-N 3.26Å; V123-W125 VanDerWaalsContact CG2-O 3.31Å; V123-W125 WeakPolarHBondContact CG2-O 3.36Å; V123-W125 PolarHBondContact O-N 3.35Å; V123-Y127 WeakPolarHBondContact O-CB 3.3Å
124	P	95.3	Very high	95.5	Very high	41 Å²	41	46.1 Å²	46.1	27%	0.266	24%	0.236	S	C	.	.	S	Bend	trans	-74.5	-19.7	-177.7	27.1	-33.6	0	0	0	113	V97 Y127 P418 H419	V97-P124 HydrophobicContact CG2-CB 3.58Å; V97-P124 HydrophobicContact CG2-CG 4Å; P124-Y127 WeakPolarHBondContact O-CD1 3.27Å; P124-P418 HydrophobicContact CB-CB 4.18Å; P124-H419 PolarHBondContact O-CE1 2.83Å; P124-H419 PolarHBondContact O-ND1 3.04Å
125	W	96.5	Very high	95.7	Very high	45 Å²	45	43.9 Å²	43.9	17%	0.17	23%	0.226	C	C	.	.	S	Bend	trans	-122	153.3	178.8	-58.7	99.5	0	0	0	109.4	R80 Q93 V123 Y127 P163 I164 H419	R80-W125 HydrophobicContact CB-CE3 4.48Å; R80-W125 HydrophobicContact CB-CH2 3.66Å; R80-W125 HydrophobicContact CB-CZ2 4.02Å; R80-W125 HydrophobicContact CB-CZ3 3.93Å; R80-W125 VanDerWaalsContact CD-CE2 3.46Å; R80-W125 HydrophobicContact CG-CH2 3.82Å; R80-W125 HydrophobicContact CG-CZ2 3.61Å; R80-W125 HydrophobicContact CG-CZ3 4.39Å; R80-W125 VanDerWaalsContact CZ-CD1 3.47Å; R80-W125 VanDerWaalsContact NH1-CD1 3.29Å; Q93-W125 HydrophobicContact CB-CH2 4.26Å; Q93-W125 HydrophobicContact CG-CH2 3.75Å; Q93-W125 HydrophobicContact CG-CZ3 4.29Å; V123-W125 VanDerWaalsContact C-N 3.26Å; V123-W125 VanDerWaalsContact CG2-O 3.31Å; V123-W125 WeakPolarHBondContact CG2-O 3.36Å; V123-W125 PolarHBondContact O-N 3.35Å; W125-Y127 PolarHBondContact O-N 3.13Å; W125-P163 HydrophobicContact CE3-CB 3.79Å; W125-P163 HydrophobicContact CE3-CG 3.98Å; W125-P163 HydrophobicContact CZ3-CB 4.06Å; W125-P163 HydrophobicContact CZ3-CG 3.71Å; W125-I164 HydrophobicContact CE3-CG2 3.99Å; W125-I164 HydrophobicContact CZ3-CG2 4.06Å; W125-H419 AromaticContact CD2-CE1 3.5Å; W125-H419 AromaticContact CE2-CE1 3.26Å; W125-H419 AromaticContact CE2-NE2 3.49Å; W125-H419 AromaticContact CE3-CE1 3.74Å; W125-H419 AromaticContact CH2-CE1 3.64Å; W125-H419 AromaticContact CH2-ND1 3.98Å; W125-H419 AromaticContact CH2-NE2 3.71Å; W125-H419 AromaticContact CZ2-CE1 3.37Å; W125-H419 WeakPolarHBondContact CZ2-CE1 3.2Å; W125-H419 AromaticContact CZ2-NE2 3.24Å; W125-H419 WeakPolarHBondContact CZ2-NE2 3.2Å; W125-H419 AromaticContact CZ3-CE1 3.8Å; W125-H419 AromaticContact CZ3-ND1 3.9Å; W125-H419 AromaticContact NE1-CE1 3.76Å; W125-H419 AromaticContact NE1-NE2 3.91Å
126	G	96.2	Very high	95.8	Very high	18 Å²	18	39.5 Å²	39.5	19%	0.186	21%	0.208	C	C	.	.	S	Bend	trans	67.2	17.8	-179.7	0	0	0	0	0	115.1	P163 I164 L165 V166	G126-P163 PolarHBondContact N-O 2.94Å; G126-I164 CarbonylContact C-O 3.58Å; G126-L165 WeakPolarHBondContact CA-O 3.5Å; G126-V166 WeakPolarHBondContact O-CA 3.43Å; G126-V166 WeakPolarHBondContact O-CG1 3.37Å
127	Y	96.4	Very high	95.8	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.027	21%	0.207	C	C	.	.			trans	-85.5	-25.5	-173.8	69.4	-99.8	0	0	0	113.8	V123 P124 W125 R129 I164 N267 F417 P418	V123-Y127 WeakPolarHBondContact O-CB 3.3Å; P124-Y127 WeakPolarHBondContact O-CD1 3.27Å; W125-Y127 PolarHBondContact O-N 3.13Å; Y127-R129 PolarHBondContact O-N 2.96Å; Y127-I164 HydrophobicContact CD1-CB 4.39Å; Y127-I164 HydrophobicContact CE1-CB 3.81Å; Y127-I164 HydrophobicContact CE1-CG2 3.91Å; Y127-I164 PolarHBondContact N-O 3.03Å; Y127-I164 VanDerWaalsContact N-O 3.1Å; Y127-N267 HydrophobicContact CD2-CB 3.88Å; Y127-F417 HydrophobicContact CE2-CD1 4.09Å; Y127-P418 HydrophobicContact CD1-CB 4.46Å; Y127-P418 HydrophobicContact CD1-CG 4.19Å; Y127-P418 HydrophobicContact CE1-CB 4.06Å; Y127-P418 HydrophobicContact CE1-CG 4.11Å; Y127-P418 PolarHBondContact OH-O 3.2Å
128	R	95.8	Very high	95.7	Very high	65 Å²	65	39.7 Å²	39.7	25%	0.245	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-82.7	103.9	-168.1	-179	161.7	-167.7	117.2	6.6	110.2	R130 I164 L165 V166 V266	R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 WeakPolarHBondContact CG-O 3.25Å; R128-R130 PolarHBondContact NE-O 2.95Å; R128-R130 PolarHBondContact O-N 3.28Å; R128-I164 WeakPolarHBondContact CB-O 3.37Å; R128-I164 PolarHBondContact N-O 2.89Å; R128-L165 HydrophobicContact CB-CD2 4.15Å; R128-L165 HydrophobicContact CG-CD2 3.83Å; R128-L165 WeakPolarHBondContact O-CA 3.44Å; R128-V166 PolarHBondContact O-N 2.79Å; R128-V266 HydrophobicContact CB-CG1 4.17Å; R128-V266 HydrophobicContact CG-CG1 3.5Å; R128-V266 VanDerWaalsContact CG-CG1 3.5Å
129	R	95.7	Very high	95.4	Very high	26 Å²	26	41.9 Å²	41.9	10%	0.098	22%	0.219	C	C	.	.			trans	-81.9	-4.1	-179.6	83.7	-177.3	-51.6	169	10.8	114.7	Y127 V166 L169 V195 Q196 I264 Q265 V266	Y127-R129 PolarHBondContact O-N 2.96Å; R129-V166 HydrophobicContact CB-CG1 4.26Å; R129-L169 WeakPolarHBondContact O-CD1 3.36Å; R129-V195 CarbonylContact O-C 3.46Å; R129-V195 WeakPolarHBondContact O-CA 3.32Å; R129-Q196 HydrophobicContact CB-CB 4.4Å; R129-Q196 VanDerWaalsContact CZ-O 3.25Å; R129-Q196 PolarHBondContact NE-O 3.12Å; R129-Q196 PolarHBondContact NH2-O 3.29Å; R129-Q196 PolarHBondContact O-N 3.13Å; R129-I264 HydrophobicContact CG-CD1 4.33Å; R129-Q265 VanDerWaalsContact CD-O 3.24Å; R129-Q265 WeakPolarHBondContact CD-O 3.47Å; R129-V266 WeakPolarHBondContact CG-O 3.37Å; R129-V266 PolarHBondContact N-O 3.04Å
130	R	95.1	Very high	95.1	Very high	36 Å²	36	49.1 Å²	49.1	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	132.4	-179.5	174.1	168.6	177	117.8	4.3	112.2	R128 E193 L194 V195 P260	R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 WeakPolarHBondContact CG-O 3.25Å; R128-R130 PolarHBondContact NE-O 2.95Å; R128-R130 PolarHBondContact O-N 3.28Å; R130-E193 IonicContact CZ-OE2 3.1Å; R130-E193 IonicContact NH1-OE2 2.94Å; R130-E193 IonicContact NH2-OE1 3.17Å; R130-E193 IonicContact NH2-OE2 2.74Å; R130-E193 PolarHBondContact NH2-OE2 2.63Å; R130-L194 CarbonylContact C-O 3.57Å; R130-L194 VanDerWaalsContact CA-O 3.28Å; R130-L194 WeakPolarHBondContact CA-O 3.49Å; R130-V195 HydrophobicContact CB-CG2 4.45Å; R130-V195 HydrophobicContact CG-CG2 4Å; R130-P260 PolarHBondContact NH1-O 3.45Å
131	A	94.8	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.6	176	0	0	0	0	0	110.9	F148 L165 E193 L194	A131-F148 HydrophobicContact CB-CZ 4.19Å; A131-L165 HydrophobicContact CB-CD1 4.2Å; A131-L165 HydrophobicContact CB-CD2 3.47Å; A131-L165 VanDerWaalsContact CB-CD2 3.47Å; A131-L165 HydrophobicContact CB-CG 4.47Å; A131-E193 CarbonylContact O-C 3.5Å; A131-E193 VanDerWaalsContact O-CA 3.23Å; A131-E193 WeakPolarHBondContact O-CA 3.43Å; A131-L194 PolarHBondContact N-O 3.46Å; A131-L194 PolarHBondContact O-N 2.91Å
132	R	95.7	Very high	94.6	Very high	140 Å²	140	57.8 Å²	57.8	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105	167.2	180	172.4	-179.3	-171.9	-0.8	108.8	F148 H191 E193	R132-F148 WeakPolarHBondContact O-CE1 3.48Å; R132-H191 HydrophobicContact CG-CB 4.37Å; R132-H191 VanDerWaalsContact CZ-CE1 3.48Å; R132-H191 PolarHBondContact NE-CD2 2.89Å; R132-H191 PolarHBondContact NE-CE1 2.83Å; R132-H191 PolarHBondContact NE-ND1 2.9Å; R132-H191 PolarHBondContact NE-NE2 3.41Å; R132-H191 PolarHBondContact NH2-CE1 3.06Å; R132-H191 PolarHBondContact NH2-ND1 3.18Å; R132-E193 HydrophobicContact CB-CG 4.19Å; R132-E193 WeakPolarHBondContact CD-OE1 3.22Å; R132-E193 HydrophobicContact CG-CG 4.02Å; R132-E193 IonicContact NE-OE1 2.71Å
133	L	96.9	Very high	94.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.4	-179.2	-59.4	164.4	0	0	0	108.4	M146 G147 F148 L173 H191 V192 L194	L133-M146 HydrophobicContact CB-CG 3.97Å; L133-M146 HydrophobicContact CD1-CE 4.12Å; L133-M146 HydrophobicContact CD1-CG 4.25Å; L133-M146 HydrophobicContact CD1-SD 4.22Å; L133-G147 CarbonylContact C-O 3.54Å; L133-F148 HydrophobicContact CD2-CD1 4.33Å; L133-F148 HydrophobicContact CD2-CE1 3.75Å; L133-F148 HydrophobicContact CD2-CE2 4.07Å; L133-F148 HydrophobicContact CD2-CZ 3.59Å; L133-L173 HydrophobicContact CD1-CD2 3.56Å; L133-L173 HydrophobicContact CD2-CD2 4.33Å; L133-H191 VanDerWaalsContact O-CA 3.32Å; L133-H191 WeakPolarHBondContact O-CA 3.41Å; L133-H191 WeakPolarHBondContact O-CB 3.49Å; L133-V192 HydrophobicContact CB-CG1 3.83Å; L133-V192 HydrophobicContact CD1-CG1 4.13Å; L133-V192 PolarHBondContact N-O 3.31Å; L133-V192 PolarHBondContact O-N 3.48Å; L133-L194 HydrophobicContact CD1-CD1 4.16Å
134	S	96.4	Very high	94.4	Very high	28 Å²	28	58.2 Å²	58.2	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.2	173.8	-60	0	0	0	0	109.4	M146 G147 I156	S134-M146 WeakPolarHBondContact O-CA 3.07Å; S134-G147 PolarHBondContact N-O 2.79Å; S134-G147 PolarHBondContact O-N 2.63Å; S134-I156 VanDerWaalsContact CB-CD1 3.48Å
135	L	96.3	Very high	94.3	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.068	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.9	177.1	-62.7	172.6	0	0	0	108.4	L144 Q145 M146 L180 L189 G190 V192 L205	L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD2-CD1 4.33Å; L135-L144 HydrophobicContact CD2-CD2 4.25Å; L135-L144 HydrophobicContact CD2-CG 4.42Å; L135-Q145 WeakPolarHBondContact CA-O 3.37Å; L135-M146 HydrophobicContact CD2-CB 3.65Å; L135-M146 HydrophobicContact CD2-CG 3.52Å; L135-M146 HydrophobicContact CD2-SD 4.06Å; L135-L180 HydrophobicContact CD1-CD1 3.81Å; L135-L180 HydrophobicContact CD2-CD1 3.96Å; L135-L189 HydrophobicContact CB-CB 4.21Å; L135-L189 HydrophobicContact CD1-CB 3.65Å; L135-L189 HydrophobicContact CD1-CD1 4.17Å; L135-G190 PolarHBondContact N-O 3.15Å; L135-G190 VanDerWaalsContact N-O 3.1Å; L135-V192 HydrophobicContact CD1-CB 4.28Å; L135-V192 HydrophobicContact CD1-CG1 4.37Å; L135-V192 HydrophobicContact CD2-CG1 4.35Å; L135-V192 HydrophobicContact CG-CG1 4.5Å; L135-L205 HydrophobicContact CD1-CD1 3.98Å
136	N	94.5	Very high	94.4	Very high	69 Å²	69	56.2 Å²	56.2	37%	0.369	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	123.8	176.2	-179.4	43.1	0	0	0	109.7	Q145 I156	N136-Q145 HydrophobicContact CB-CB 4.36Å; N136-Q145 PolarHBondContact N-O 2.91Å; N136-Q145 PolarHBondContact ND2-OE1 3.03Å; N136-Q145 PolarHBondContact O-N 2.78Å; N136-I156 HydrophobicContact CB-CD1 3.46Å; N136-I156 VanDerWaalsContact CB-CD1 3.46Å; N136-I156 HydrophobicContact CB-CG1 4.42Å
137	Y	94.2	Very high	94.4	Very high	32 Å²	32	55.4 Å²	55.4	13%	0.125	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.2	175	179.9	-102.6	0	0	0	110	P139 I186 R187	Y137-P139 HydrophobicContact CD1-CB 4.45Å; Y137-P139 HydrophobicContact CD1-CG 4.04Å; Y137-P139 HydrophobicContact CE1-CB 4.07Å; Y137-P139 HydrophobicContact CE1-CG 4.17Å; Y137-P139 VanDerWaalsContact O-CD 3.3Å; Y137-P139 WeakPolarHBondContact O-CD 3.36Å; Y137-I186 HydrophobicContact CD2-CD1 4.25Å; Y137-I186 HydrophobicContact CD2-CG1 4.05Å; Y137-I186 HydrophobicContact CD2-CG2 4.01Å; Y137-I186 HydrophobicContact CE2-CD1 4.28Å; Y137-I186 HydrophobicContact CE2-CG1 4.44Å; Y137-I186 HydrophobicContact CE2-CG2 3.84Å; Y137-R187 HydrophobicContact CD1-CB 4.16Å; Y137-R187 HydrophobicContact CD1-CG 3.62Å; Y137-R187 HydrophobicContact CD2-CG 4.14Å; Y137-R187 HydrophobicContact CE1-CG 3.54Å; Y137-R187 VanDerWaalsContact CE1-CZ 3.47Å; Y137-R187 HydrophobicContact CE2-CG 4.09Å; Y137-R187 HydrophobicContact CG-CB 4.3Å; Y137-R187 HydrophobicContact CG-CG 3.9Å; Y137-R187 VanDerWaalsContact CZ-NE 3.27Å; Y137-R187 PolarHBondContact OH-NE 2.88Å; Y137-R187 VanDerWaalsContact OH-NE 3.13Å; Y137-R187 PolarHBondContact OH-NH2 2.55Å
138	L	93	Very high	94.3	Very high	51 Å²	51	56.8 Å²	56.8	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	103	175.3	-64.4	178.7	0	0	0	109.6	K140 T141 Q142 Q143 Q145	L138-K140 PolarHBondContact O-N 3.48Å; L138-T141 WeakPolarHBondContact CB-OG1 3.49Å; L138-T141 PolarHBondContact O-N 3.01Å; L138-Q142 WeakPolarHBondContact O-CA 3.28Å; L138-Q142 PolarHBondContact O-N 3.21Å; L138-Q143 PolarHBondContact N-O 2.81Å; L138-Q145 HydrophobicContact CD1-CG 3.71Å; L138-Q145 HydrophobicContact CG-CG 3.99Å
139	P	89.9	Confident	94.3	Very high	87 Å²	87	61.3 Å²	61.3	57%	0.565	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.7	-173.2	-21.8	33.8	0	0	0	113.9	Y137	Y137-P139 HydrophobicContact CD1-CB 4.45Å; Y137-P139 HydrophobicContact CD1-CG 4.04Å; Y137-P139 HydrophobicContact CE1-CB 4.07Å; Y137-P139 HydrophobicContact CE1-CG 4.17Å; Y137-P139 VanDerWaalsContact O-CD 3.3Å; Y137-P139 WeakPolarHBondContact O-CD 3.36Å
140	K	91.8	Very high	94.2	Very high	206 Å²	206	63.8 Å²	63.8	90%	0.896	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.3	-178.1	-68	-174	177.8	-177.7	0	113.3	L138	L138-K140 PolarHBondContact O-N 3.48Å
141	T	92.7	Very high	93.8	Very high	76 Å²	76	65.4 Å²	65.4	47%	0.466	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.3	-178.8	55.7	0	0	0	0	112.7	L138 Q143	L138-T141 WeakPolarHBondContact CB-OG1 3.49Å; L138-T141 PolarHBondContact O-N 3.01Å; T141-Q143 PolarHBondContact O-N 3.4Å
142	Q	90.1	Very high	93.4	Very high	142 Å²	142	69.9 Å²	69.9	66%	0.664	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	27.6	-173.7	-56.6	178.6	-23.8	0	0	113.3	L138	L138-Q142 WeakPolarHBondContact O-CA 3.28Å; L138-Q142 PolarHBondContact O-N 3.21Å
143	Q	90.8	Very high	93.1	Very high	119 Å²	119	65.2 Å²	65.2	56%	0.556	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.5	-177.7	-72.9	172.4	-13.9	0	0	111.9	L138 T141	L138-Q143 PolarHBondContact N-O 2.81Å; T141-Q143 PolarHBondContact O-N 3.4Å
144	L	93.6	Very high	92.8	Very high	21 Å²	21	69.7 Å²	69.7	11%	0.11	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120	169.3	-179.4	67.1	0	0	0	110.1	L135 L180 I186 L189	L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD2-CD1 4.33Å; L135-L144 HydrophobicContact CD2-CD2 4.25Å; L135-L144 HydrophobicContact CD2-CG 4.42Å; L144-L180 HydrophobicContact CD2-CB 3.67Å; L144-I186 HydrophobicContact CB-CD1 3.9Å; L144-I186 HydrophobicContact CB-CG1 3.98Å; L144-I186 HydrophobicContact CD1-CG1 4.28Å; L144-I186 HydrophobicContact CD2-CG1 4.28Å; L144-I186 HydrophobicContact CG-CG1 4.42Å; L144-L189 HydrophobicContact CD2-CD1 4.35Å
145	Q	94.9	Very high	92.7	Very high	44 Å²	44	72.5 Å²	72.5	21%	0.206	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.7	164.2	-62.7	-175	-59.2	0	0	109.2	L135 N136 L138 I156	L135-Q145 WeakPolarHBondContact CA-O 3.37Å; N136-Q145 HydrophobicContact CB-CB 4.36Å; N136-Q145 PolarHBondContact N-O 2.91Å; N136-Q145 PolarHBondContact ND2-OE1 3.03Å; N136-Q145 PolarHBondContact O-N 2.78Å; L138-Q145 HydrophobicContact CD1-CG 3.71Å; L138-Q145 HydrophobicContact CG-CG 3.99Å; Q145-I156 HydrophobicContact CB-CB 4.41Å; Q145-I156 HydrophobicContact CB-CG2 4.24Å
146	M	97.1	Very high	92.5	Very high	1 Å²	1	72.6 Å²	72.6	1%	0.005	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.9	176.1	179.3	179.4	88.9	0	0	109	L133 S134 L135 D158 V159 L173 V176 R177 L180 V192	L133-M146 HydrophobicContact CB-CG 3.97Å; L133-M146 HydrophobicContact CD1-CE 4.12Å; L133-M146 HydrophobicContact CD1-CG 4.25Å; L133-M146 HydrophobicContact CD1-SD 4.22Å; S134-M146 WeakPolarHBondContact O-CA 3.07Å; L135-M146 HydrophobicContact CD2-CB 3.65Å; L135-M146 HydrophobicContact CD2-CG 3.52Å; L135-M146 HydrophobicContact CD2-SD 4.06Å; M146-D158 PolarHBondContact N-OD1 2.83Å; M146-D158 VanDerWaalsContact O-OD1 3.14Å; M146-V159 PolarHBondContact O-N 2.97Å; M146-L173 HydrophobicContact CE-CD2 4.38Å; M146-L173 WeakPolarHBondContact CE-O 3.15Å; M146-V176 HydrophobicContact CE-CG1 4.47Å; M146-V176 HydrophobicContact SD-CG1 3.95Å; M146-R177 HydrophobicContact CE-CB 3.8Å; M146-R177 PolarHBondContact O-NH2 2.81Å; M146-R177 HydrophobicContact SD-CB 4.41Å; M146-L180 HydrophobicContact SD-CD1 4.27Å; M146-V192 HydrophobicContact SD-CG1 4.14Å
147	G	96.2	Very high	92.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-149.5	178	0	0	0	0	0	115.2	L133 S134 V157	L133-G147 CarbonylContact C-O 3.54Å; S134-G147 PolarHBondContact N-O 2.79Å; S134-G147 PolarHBondContact O-N 2.63Å; G147-V157 WeakPolarHBondContact CA-O 3.24Å
148	F	95.2	Very high	92.6	Very high	36 Å²	36	70.4 Å²	70.4	16%	0.158	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	161.8	-177.8	-57.1	-60.6	0	0	0	111.4	A131 R132 L133 I156 V157 V159	A131-F148 HydrophobicContact CB-CZ 4.19Å; R132-F148 WeakPolarHBondContact O-CE1 3.48Å; L133-F148 HydrophobicContact CD2-CD1 4.33Å; L133-F148 HydrophobicContact CD2-CE1 3.75Å; L133-F148 HydrophobicContact CD2-CE2 4.07Å; L133-F148 HydrophobicContact CD2-CZ 3.59Å; F148-I156 WeakPolarHBondContact O-CA 3.46Å; F148-V157 PolarHBondContact O-N 2.77Å; F148-V159 HydrophobicContact CD2-CG2 3.68Å; F148-V159 HydrophobicContact CE2-CG2 4.2Å; F148-V159 HydrophobicContact CG-CG2 4.4Å
149	R	94.8	Very high	92.7	Very high	161 Å²	161	68.1 Å²	68.1	61%	0.608	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.2	175.9	-68.7	-177.7	179.5	176.6	-0.3	111.5	G88 D155	G88-R149 WeakPolarHBondContact CA-O 3.31Å; G88-R149 PolarHBondContact N-O 3.21Å; R149-D155 CarbonylContact C-O 3.45Å; R149-D155 WeakPolarHBondContact CA-O 3.21Å
150	K	94.1	Very high	92.8	Very high	78 Å²	78	69.1 Å²	69.1	34%	0.339	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-64.7	153.1	169.3	-76	-176.3	-167.9	170.1	0	110.9	V86 G152 S153 D155 V157	V86-K150 HydrophobicContact CG1-CD 4.3Å; V86-K150 HydrophobicContact CG1-CG 4.19Å; V86-K150 WeakPolarHBondContact O-CA 3.48Å; K150-G152 PolarHBondContact O-N 3.17Å; K150-G152 VanDerWaalsContact O-N 3.13Å; K150-S153 PolarHBondContact O-N 3.24Å; K150-S153 VanDerWaalsContact O-N 3.16Å; K150-S153 VanDerWaalsContact O-O 3.09Å; K150-D155 HydrophobicContact CD-CB 3.89Å; K150-D155 HydrophobicContact CG-CB 4.31Å; K150-D155 PolarHBondContact N-O 3.06Å; K150-V157 HydrophobicContact CB-CG2 4.3Å; K150-V157 HydrophobicContact CD-CG2 4.37Å; K150-V157 HydrophobicContact CG-CG2 3.3Å
151	A	87	Confident	93	Very high	69 Å²	69	64.3 Å²	64.3	57%	0.57	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	118.8	174.1	0	0	0	0	0	110.6	V86 S153	V86-A151 PolarHBondContact O-N 3.44Å; A151-S153 VanDerWaalsContact C-N 3.28Å; A151-S153 PolarHBondContact O-N 2.95Å
152	G	85.8	Confident	93.2	Very high	94 Å²	94	61 Å²	61	97%	0.969	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	17.1	179.9	0	0	0	0	0	115.7	K150	K150-G152 PolarHBondContact O-N 3.17Å; K150-G152 VanDerWaalsContact O-N 3.13Å
153	S	90.4	Very high	93.5	Very high	43 Å²	43	55.3 Å²	55.3	30%	0.301	31%	0.309	S	S	.	.	S	Bend	trans	-138.8	153.2	178.1	170.5	0	0	0	0	111.5	K150 A151 D155	K150-S153 PolarHBondContact O-N 3.24Å; K150-S153 VanDerWaalsContact O-N 3.16Å; K150-S153 VanDerWaalsContact O-O 3.09Å; A151-S153 VanDerWaalsContact C-N 3.28Å; A151-S153 PolarHBondContact O-N 2.95Å; S153-D155 VanDerWaalsContact C-N 3.26Å; S153-D155 WeakPolarHBondContact OG-CB 3.36Å; S153-D155 PolarHBondContact OG-N 3.29Å; S153-D155 PolarHBondContact OG-OD2 3.07Å
154	S	90.3	Very high	93.8	Very high	93 Å²	93	50 Å²	50	65%	0.65	29%	0.285	S	S	*	.	S	Bend	trans	-77.3	-12.4	170.3	51.2	0	0	0	0	113.1
155	D	93.2	Very high	94	Very high	88 Å²	88	49.1 Å²	49.1	47%	0.471	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-62.4	145.7	179.1	-64.6	-21.7	0	0	0	111.5	R149 K150 S153	R149-D155 CarbonylContact C-O 3.45Å; R149-D155 WeakPolarHBondContact CA-O 3.21Å; K150-D155 HydrophobicContact CD-CB 3.89Å; K150-D155 HydrophobicContact CG-CB 4.31Å; K150-D155 PolarHBondContact N-O 3.06Å; S153-D155 VanDerWaalsContact C-N 3.26Å; S153-D155 WeakPolarHBondContact OG-CB 3.36Å; S153-D155 PolarHBondContact OG-N 3.29Å; S153-D155 PolarHBondContact OG-OD2 3.07Å
156	I	93.9	Very high	94.1	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.1	179.9	-59	-177.4	0	0	0	110.3	S134 N136 Q145 F148	S134-I156 VanDerWaalsContact CB-CD1 3.48Å; N136-I156 HydrophobicContact CB-CD1 3.46Å; N136-I156 VanDerWaalsContact CB-CD1 3.46Å; N136-I156 HydrophobicContact CB-CG1 4.42Å; Q145-I156 HydrophobicContact CB-CB 4.41Å; Q145-I156 HydrophobicContact CB-CG2 4.24Å; F148-I156 WeakPolarHBondContact O-CA 3.46Å
157	V	95.1	Very high	94	Very high	12 Å²	12	52 Å²	52	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.5	161.6	-178	0	0	0	0	108	H83 V86 C87 G147 F148 K150 V159	H83-V157 HydrophobicContact CB-CG1 4.09Å; V86-V157 HydrophobicContact CG1-CG2 3.83Å; C87-V157 HydrophobicContact CB-CG1 4.48Å; C87-V157 HydrophobicContact CB-CG2 4.3Å; G147-V157 WeakPolarHBondContact CA-O 3.24Å; F148-V157 PolarHBondContact O-N 2.77Å; K150-V157 HydrophobicContact CB-CG2 4.3Å; K150-V157 HydrophobicContact CD-CG2 4.37Å; K150-V157 HydrophobicContact CG-CG2 3.3Å; V157-V159 PolarHBondContact O-N 2.93Å
158	D	94.3	Very high	94	Very high	44 Å²	44	56.8 Å²	56.8	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	97.2	-178.9	-161.2	44.2	0	0	0	111	H83 M146 K160 R177	H83-D158 PolarHBondContact CE1-O 3.19Å; M146-D158 PolarHBondContact N-OD1 2.83Å; M146-D158 VanDerWaalsContact O-OD1 3.14Å; D158-K160 PolarHBondContact O-N 3.3Å; D158-K160 VanDerWaalsContact OD2-CE 3.27Å; D158-K160 WeakPolarHBondContact OD2-CE 3.48Å; D158-K160 IonicContact OD2-NZ 3.77Å; D158-K160 PolarHBondContact OD2-NZ 3.35Å; D158-R177 VanDerWaalsContact CG-NH1 3.26Å; D158-R177 IonicContact OD1-CZ 2.72Å; D158-R177 IonicContact OD1-NH1 3.85Å; D158-R177 PolarHBondContact OD1-NH1 2.97Å; D158-R177 IonicContact OD1-NH2 2.67Å; D158-R177 PolarHBondContact OD1-NH2 3.32Å; D158-R177 IonicContact OD2-CZ 3.39Å; D158-R177 IonicContact OD2-NH1 3.62Å; D158-R177 PolarHBondContact OD2-NH1 3.45Å; D158-R177 VanDerWaalsContact OD2-NH1 3.13Å; D158-R177 IonicContact OD2-NH2 3.59Å
159	V	95	Very high	94.1	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	32%	0.317	C	S	.	.			trans	-77	117.2	-169.4	176.2	0	0	0	0	109.8	M146 F148 V157 Q161 C162 L173 R177	M146-V159 PolarHBondContact O-N 2.97Å; F148-V159 HydrophobicContact CD2-CG2 3.68Å; F148-V159 HydrophobicContact CE2-CG2 4.2Å; F148-V159 HydrophobicContact CG-CG2 4.4Å; V157-V159 PolarHBondContact O-N 2.93Å; V159-Q161 WeakPolarHBondContact CG1-O 3.37Å; V159-C162 HydrophobicContact CG1-CB 3.92Å; V159-L173 HydrophobicContact CG1-CD1 4.05Å; V159-R177 PolarHBondContact O-NH2 3.14Å
160	K	93.3	Very high	94.2	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.465	30%	0.299	S	S	.	.	S	Bend	trans	-99.7	-29.3	174.4	-56.1	-52.6	-167.2	-170.6	0	113.4	H83 D158	H83-K160 PolarHBondContact NE2-N 3.07Å; D158-K160 PolarHBondContact O-N 3.3Å; D158-K160 VanDerWaalsContact OD2-CE 3.27Å; D158-K160 WeakPolarHBondContact OD2-CE 3.48Å; D158-K160 IonicContact OD2-NZ 3.77Å; D158-K160 PolarHBondContact OD2-NZ 3.35Å
161	Q	95.2	Very high	94.3	Very high	105 Å²	105	49 Å²	49	49%	0.491	31%	0.307	S	S	.	.			trans	-145.9	146.6	-178.7	-71.8	175.2	-3.6	0	0	107	H83 V159	H83-Q161 PolarHBondContact CD2-O 3.34Å; V159-Q161 WeakPolarHBondContact CG1-O 3.37Å
162	C	96.8	Very high	94.8	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.054	28%	0.282	C	S	.	.			trans	-150.8	83.8	179.4	-175.9	0	0	0	0	108.8	V159 I164 L165 E170 L173	V159-C162 HydrophobicContact CG1-CB 3.92Å; C162-I164 PolarHBondContact O-N 3.39Å; C162-I164 VanDerWaalsContact SG-CG1 3.51Å; C162-L165 HydrophobicContact CB-CD1 3.79Å; C162-L165 HydrophobicContact CB-CG 4.07Å; C162-L165 WeakPolarHBondContact O-CB 3.47Å; C162-L165 PolarHBondContact O-N 2.67Å; C162-E170 PolarHBondContact N-OE1 3.37Å; C162-L173 HydrophobicContact CB-CD1 4.04Å
163	P	96.8	Very high	95.3	Very high	21 Å²	21	41.8 Å²	41.8	14%	0.136	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.4	-169.4	25.4	-36.1	0	0	0	114.7	R80 C81 W125 G126	R80-P163 HydrophobicContact CB-CB 4.44Å; R80-P163 HydrophobicContact CB-CG 4.11Å; C81-P163 HydrophobicContact CB-CG 3.79Å; W125-P163 HydrophobicContact CE3-CB 3.79Å; W125-P163 HydrophobicContact CE3-CG 3.98Å; W125-P163 HydrophobicContact CZ3-CB 4.06Å; W125-P163 HydrophobicContact CZ3-CG 3.71Å; G126-P163 PolarHBondContact N-O 2.94Å
164	I	97.2	Very high	95.6	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.7	171.1	61.3	163.8	0	0	0	112.4	W125 G126 Y127 R128 C162	W125-I164 HydrophobicContact CE3-CG2 3.99Å; W125-I164 HydrophobicContact CZ3-CG2 4.06Å; G126-I164 CarbonylContact C-O 3.58Å; Y127-I164 HydrophobicContact CD1-CB 4.39Å; Y127-I164 HydrophobicContact CE1-CB 3.81Å; Y127-I164 HydrophobicContact CE1-CG2 3.91Å; Y127-I164 PolarHBondContact N-O 3.03Å; Y127-I164 VanDerWaalsContact N-O 3.1Å; R128-I164 WeakPolarHBondContact CB-O 3.37Å; R128-I164 PolarHBondContact N-O 2.89Å; C162-I164 PolarHBondContact O-N 3.39Å; C162-I164 VanDerWaalsContact SG-CG1 3.51Å
165	L	97	Very high	95.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-72.7	143.2	174.1	-72.2	175	0	0	0	110.3	G126 R128 A131 C162 L169 E170 L173	G126-L165 WeakPolarHBondContact CA-O 3.5Å; R128-L165 HydrophobicContact CB-CD2 4.15Å; R128-L165 HydrophobicContact CG-CD2 3.83Å; R128-L165 WeakPolarHBondContact O-CA 3.44Å; A131-L165 HydrophobicContact CB-CD1 4.2Å; A131-L165 HydrophobicContact CB-CD2 3.47Å; A131-L165 VanDerWaalsContact CB-CD2 3.47Å; A131-L165 HydrophobicContact CB-CG 4.47Å; C162-L165 HydrophobicContact CB-CD1 3.79Å; C162-L165 HydrophobicContact CB-CG 4.07Å; C162-L165 WeakPolarHBondContact O-CB 3.47Å; C162-L165 PolarHBondContact O-N 2.67Å; L165-L169 HydrophobicContact CB-CB 4.31Å; L165-L169 HydrophobicContact CD1-CB 4.5Å; L165-L169 HydrophobicContact CD2-CD1 4.47Å; L165-E170 HydrophobicContact CB-CB 4.29Å; L165-L173 HydrophobicContact CD1-CD1 4.22Å; L165-L173 HydrophobicContact CD1-CD2 4.26Å; L165-L173 HydrophobicContact CD1-CG 4.49Å
166	V	96.9	Very high	96.1	Very high	19 Å²	19	39 Å²	39	12%	0.115	21%	0.211	C	C	.	.			trans	-51	141.2	170	-62.6	0	0	0	0	109.5	G126 R128 R129 Q168 L169 E170 Q196	G126-V166 WeakPolarHBondContact O-CA 3.43Å; G126-V166 WeakPolarHBondContact O-CG1 3.37Å; R128-V166 PolarHBondContact O-N 2.79Å; R129-V166 HydrophobicContact CB-CG1 4.26Å; V166-Q168 PolarHBondContact O-N 2.95Å; V166-L169 HydrophobicContact CG2-CB 3.96Å; V166-L169 HydrophobicContact CG2-CD1 3.89Å; V166-L169 HydrophobicContact CG2-CG 3.5Å; V166-L169 PolarHBondContact O-N 2.85Å; V166-E170 PolarHBondContact O-N 2.89Å; V166-E170 VanDerWaalsContact O-N 3.13Å; V166-Q196 HydrophobicContact CG2-CB 3.7Å; V166-Q196 HydrophobicContact CG2-CG 4.05Å
167	P	96.2	Very high	96.2	Very high	86 Å²	86	39.9 Å²	39.9	56%	0.558	21%	0.213	S	C	*	.	H	α-helix	trans	-53	-36	-169.6	-30.1	36	0	0	0	114.6	L169 E170 A171	P167-L169 PolarHBondContact O-N 3.24Å; P167-E170 PolarHBondContact O-N 3.42Å; P167-A171 WeakPolarHBondContact O-CB 3.43Å; P167-A171 PolarHBondContact O-N 2.92Å
168	Q	95.7	Very high	96.2	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-44.4	176.7	-62.9	87	-18.5	0	0	111.9	V166 L172	V166-Q168 PolarHBondContact O-N 2.95Å; Q168-L172 WeakPolarHBondContact O-CG 3.43Å; Q168-L172 PolarHBondContact O-N 2.83Å
169	L	97.1	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-74.7	-36.1	179.8	-63.4	-168.3	0	0	0	112.2	R129 L165 V166 P167 A171 L172 L194 Q196 T201	R129-L169 WeakPolarHBondContact O-CD1 3.36Å; L165-L169 HydrophobicContact CB-CB 4.31Å; L165-L169 HydrophobicContact CD1-CB 4.5Å; L165-L169 HydrophobicContact CD2-CD1 4.47Å; V166-L169 HydrophobicContact CG2-CB 3.96Å; V166-L169 HydrophobicContact CG2-CD1 3.89Å; V166-L169 HydrophobicContact CG2-CG 3.5Å; V166-L169 PolarHBondContact O-N 2.85Å; P167-L169 PolarHBondContact O-N 3.24Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-L172 HydrophobicContact CD2-CD1 4.32Å; L169-L172 PolarHBondContact O-N 2.94Å; L169-L194 HydrophobicContact CD1-CB 4.21Å; L169-L194 HydrophobicContact CD2-CB 3.96Å; L169-Q196 HydrophobicContact CD1-CB 4.26Å; L169-Q196 HydrophobicContact CD2-CB 4.25Å; L169-Q196 HydrophobicContact CG-CB 4.12Å; L169-T201 HydrophobicContact CD2-CG2 3.51Å
170	E	97.5	Very high	96.3	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-43.1	175.5	-178.4	167.9	-143.8	0	0	111.4	C162 L165 V166 P167 L172 L173	C162-E170 PolarHBondContact N-OE1 3.37Å; L165-E170 HydrophobicContact CB-CB 4.29Å; V166-E170 PolarHBondContact O-N 2.89Å; V166-E170 VanDerWaalsContact O-N 3.13Å; P167-E170 PolarHBondContact O-N 3.42Å; E170-L172 PolarHBondContact O-N 2.99Å; E170-L173 HydrophobicContact CG-CD1 4.34Å; E170-L173 WeakPolarHBondContact O-CB 3.44Å; E170-L173 WeakPolarHBondContact O-CG 3.47Å; E170-L173 PolarHBondContact O-N 3.34Å
171	A	96.4	Very high	96.4	Very high	61 Å²	61	37.4 Å²	37.4	50%	0.504	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-27.6	177.8	0	0	0	0	0	113.3	P167 L169	P167-A171 WeakPolarHBondContact O-CB 3.43Å; P167-A171 PolarHBondContact O-N 2.92Å; L169-A171 VanDerWaalsContact C-N 3.34Å
172	L	96.8	Very high	96.4	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-77.1	-22	178.4	-73.8	171.9	0	0	0	113.6	Q168 L169 E170 K175 V176 L194 T201 E226 L228	Q168-L172 WeakPolarHBondContact O-CG 3.43Å; Q168-L172 PolarHBondContact O-N 2.83Å; L169-L172 HydrophobicContact CD2-CD1 4.32Å; L169-L172 PolarHBondContact O-N 2.94Å; E170-L172 PolarHBondContact O-N 2.99Å; L172-K175 PolarHBondContact O-N 2.9Å; L172-V176 HydrophobicContact CB-CG2 4.16Å; L172-V176 WeakPolarHBondContact O-CB 3.21Å; L172-V176 WeakPolarHBondContact O-CG2 3.37Å; L172-V176 PolarHBondContact O-N 3.24Å; L172-L194 HydrophobicContact CB-CD1 4.4Å; L172-T201 HydrophobicContact CD1-CG2 3.73Å; L172-E226 HydrophobicContact CD2-CB 4.2Å; L172-E226 HydrophobicContact CD2-CG 4.32Å; L172-L228 HydrophobicContact CD1-CD1 4.37Å; L172-L228 HydrophobicContact CD1-CD2 3.69Å; L172-L228 HydrophobicContact CD2-CD1 4.17Å; L172-L228 HydrophobicContact CD2-CD2 4.18Å
173	L	96.9	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-51.3	-53.6	-175.8	-65.4	174.7	0	0	0	114.4	L133 M146 V159 C162 L165 E170 K175 R177	L133-L173 HydrophobicContact CD1-CD2 3.56Å; L133-L173 HydrophobicContact CD2-CD2 4.33Å; M146-L173 HydrophobicContact CE-CD2 4.38Å; M146-L173 WeakPolarHBondContact CE-O 3.15Å; V159-L173 HydrophobicContact CG1-CD1 4.05Å; C162-L173 HydrophobicContact CB-CD1 4.04Å; L165-L173 HydrophobicContact CD1-CD1 4.22Å; L165-L173 HydrophobicContact CD1-CD2 4.26Å; L165-L173 HydrophobicContact CD1-CG 4.49Å; E170-L173 HydrophobicContact CG-CD1 4.34Å; E170-L173 WeakPolarHBondContact O-CB 3.44Å; E170-L173 WeakPolarHBondContact O-CG 3.47Å; E170-L173 PolarHBondContact O-N 3.34Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 3.22Å; L173-R177 VanDerWaalsContact O-CB 3.31Å; L173-R177 WeakPolarHBondContact O-CB 3.3Å; L173-R177 PolarHBondContact O-N 3.29Å; L173-R177 VanDerWaalsContact O-N 3.12Å
174	P	95.9	Very high	96.2	Very high	75 Å²	75	40.5 Å²	40.5	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-33.1	178.8	25.4	-34.6	0	0	0	112.6	A178	P174-A178 PolarHBondContact O-N 3.42Å; P174-A178 VanDerWaalsContact O-N 3.09Å
175	K	96.8	Very high	96	Very high	91 Å²	91	40.5 Å²	40.5	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-73.7	-47.5	-176.9	-53	-170.4	179.6	-174	0	112	L172 L173 R177 A178 C179 F222 E226	L172-K175 PolarHBondContact O-N 2.9Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-K175 PolarHBondContact O-N 3.22Å; K175-R177 VanDerWaalsContact C-N 3.29Å; K175-R177 PolarHBondContact O-N 3.11Å; K175-A178 PolarHBondContact O-N 3.45Å; K175-C179 PolarHBondContact O-N 3.01Å; K175-F222 HydrophobicContact CB-CE2 3.87Å; K175-F222 HydrophobicContact CB-CZ 4.21Å; K175-E226 HydrophobicContact CD-CG 4.39Å; K175-E226 VanDerWaalsContact CD-OE1 3.23Å; K175-E226 WeakPolarHBondContact CD-OE1 3.01Å; K175-E226 WeakPolarHBondContact CD-OE2 3.41Å; K175-E226 WeakPolarHBondContact CE-OE2 3.35Å; K175-E226 IonicContact NZ-OE1 3.87Å; K175-E226 PolarHBondContact NZ-OE1 3.18Å; K175-E226 IonicContact NZ-OE2 3.82Å; K175-E226 PolarHBondContact NZ-OE2 2.9Å
176	V	96.7	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-43.8	173.9	172.8	0	0	0	0	109.9	M146 L172 A178 C179 L180 V192 L194 M203 F222	M146-V176 HydrophobicContact CE-CG1 4.47Å; M146-V176 HydrophobicContact SD-CG1 3.95Å; L172-V176 HydrophobicContact CB-CG2 4.16Å; L172-V176 WeakPolarHBondContact O-CB 3.21Å; L172-V176 WeakPolarHBondContact O-CG2 3.37Å; L172-V176 PolarHBondContact O-N 3.24Å; V176-A178 PolarHBondContact O-N 2.98Å; V176-C179 PolarHBondContact O-N 2.92Å; V176-L180 HydrophobicContact CG1-CD1 3.7Å; V176-L180 HydrophobicContact CG1-CG 4.03Å; V176-L180 WeakPolarHBondContact O-CB 3.36Å; V176-L180 VanDerWaalsContact O-CG 3.28Å; V176-L180 WeakPolarHBondContact O-CG 3.47Å; V176-L180 PolarHBondContact O-N 2.91Å; V176-V192 HydrophobicContact CG1-CG1 4.27Å; V176-V192 HydrophobicContact CG1-CG2 4.36Å; V176-L194 HydrophobicContact CG2-CD1 4.4Å; V176-L194 HydrophobicContact CG2-CD2 4.25Å; V176-M203 HydrophobicContact CG1-SD 4.25Å; V176-M203 HydrophobicContact CG2-SD 4.06Å; V176-F222 HydrophobicContact CB-CZ 4.36Å; V176-F222 HydrophobicContact CG2-CE1 3.95Å; V176-F222 HydrophobicContact CG2-CZ 3.7Å
177	R	95.7	Very high	95.8	Very high	32 Å²	32	47.3 Å²	47.3	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-47.4	175.3	175.5	-178.5	-60.6	-74.1	1.1	112.7	M146 D158 V159 L173 K175 G181	M146-R177 HydrophobicContact CE-CB 3.8Å; M146-R177 PolarHBondContact O-NH2 2.81Å; M146-R177 HydrophobicContact SD-CB 4.41Å; D158-R177 VanDerWaalsContact CG-NH1 3.26Å; D158-R177 IonicContact OD1-CZ 2.72Å; D158-R177 IonicContact OD1-NH1 3.85Å; D158-R177 PolarHBondContact OD1-NH1 2.97Å; D158-R177 IonicContact OD1-NH2 2.67Å; D158-R177 PolarHBondContact OD1-NH2 3.32Å; D158-R177 IonicContact OD2-CZ 3.39Å; D158-R177 IonicContact OD2-NH1 3.62Å; D158-R177 PolarHBondContact OD2-NH1 3.45Å; D158-R177 VanDerWaalsContact OD2-NH1 3.13Å; D158-R177 IonicContact OD2-NH2 3.59Å; V159-R177 PolarHBondContact O-NH2 3.14Å; L173-R177 VanDerWaalsContact O-CB 3.31Å; L173-R177 WeakPolarHBondContact O-CB 3.3Å; L173-R177 PolarHBondContact O-N 3.29Å; L173-R177 VanDerWaalsContact O-N 3.12Å; K175-R177 VanDerWaalsContact C-N 3.29Å; K175-R177 PolarHBondContact O-N 3.11Å; R177-G181 PolarHBondContact O-N 2.99Å
178	A	95.3	Very high	95.7	Very high	68 Å²	68	47.5 Å²	47.5	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-64.5	-43.6	179.6	0	0	0	0	0	111.3	P174 K175 V176 S182	P174-A178 PolarHBondContact O-N 3.42Å; P174-A178 VanDerWaalsContact O-N 3.09Å; K175-A178 PolarHBondContact O-N 3.45Å; V176-A178 PolarHBondContact O-N 2.98Å; A178-S182 PolarHBondContact O-N 3.34Å
179	C	96.3	Very high	95.7	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-57.1	175.2	177.7	0	0	0	0	111.4	K175 V176 G181 S182 F222	K175-C179 PolarHBondContact O-N 3.01Å; V176-C179 PolarHBondContact O-N 2.92Å; C179-G181 VanDerWaalsContact C-N 3.29Å; C179-G181 PolarHBondContact O-N 2.91Å; C179-S182 WeakPolarHBondContact O-CB 3.42Å; C179-S182 PolarHBondContact O-N 3.18Å; C179-S182 PolarHBondContact O-OG 3.21Å; C179-F222 HydrophobicContact CB-CB 4.3Å; C179-F222 HydrophobicContact CB-CD1 4.12Å; C179-F222 HydrophobicContact CB-CD2 3.67Å; C179-F222 HydrophobicContact CB-CE1 4.41Å; C179-F222 HydrophobicContact CB-CE2 3.99Å; C179-F222 HydrophobicContact CB-CG 3.73Å; C179-F222 HydrophobicContact CB-CZ 4.36Å; C179-F222 VanDerWaalsContact SG-CB 3.57Å; C179-F222 VanDerWaalsContact SG-CG 3.52Å
180	L	96.7	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-34.4	-178.1	-62.9	-176.5	0	0	0	112.7	L135 L144 M146 V176 S182 L183 L189 V192 L205 L219	L135-L180 HydrophobicContact CD1-CD1 3.81Å; L135-L180 HydrophobicContact CD2-CD1 3.96Å; L144-L180 HydrophobicContact CD2-CB 3.67Å; M146-L180 HydrophobicContact SD-CD1 4.27Å; V176-L180 HydrophobicContact CG1-CD1 3.7Å; V176-L180 HydrophobicContact CG1-CG 4.03Å; V176-L180 WeakPolarHBondContact O-CB 3.36Å; V176-L180 VanDerWaalsContact O-CG 3.28Å; V176-L180 WeakPolarHBondContact O-CG 3.47Å; V176-L180 PolarHBondContact O-N 2.91Å; L180-S182 PolarHBondContact O-N 3.46Å; L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 PolarHBondContact O-N 2.9Å; L180-L189 HydrophobicContact CB-CD1 4.01Å; L180-L189 HydrophobicContact CD2-CD1 4.22Å; L180-V192 HydrophobicContact CD1-CB 4.2Å; L180-V192 HydrophobicContact CD1-CG1 4.04Å; L180-L205 HydrophobicContact CD1-CD1 4.31Å; L180-L205 HydrophobicContact CD2-CD1 3.85Å; L180-L205 HydrophobicContact CD2-CD2 3.81Å; L180-L205 HydrophobicContact CD2-CG 4.48Å; L180-L219 HydrophobicContact CD2-CD2 4.08Å
181	G	94.6	Very high	95.4	Very high	37 Å²	37	43.3 Å²	43.3	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-67.5	-16.1	174.3	0	0	0	0	0	114.2	R177 C179	R177-G181 PolarHBondContact O-N 2.99Å; C179-G181 VanDerWaalsContact C-N 3.29Å; C179-G181 PolarHBondContact O-N 2.91Å
182	S	95	Very high	95.5	Very high	58 Å²	58	40.4 Å²	40.4	41%	0.406	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.2	178.8	79.6	0	0	0	0	114.1	A178 C179 L180 K218	A178-S182 PolarHBondContact O-N 3.34Å; C179-S182 WeakPolarHBondContact O-CB 3.42Å; C179-S182 PolarHBondContact O-N 3.18Å; C179-S182 PolarHBondContact O-OG 3.21Å; L180-S182 PolarHBondContact O-N 3.46Å; S182-K218 PolarHBondContact O-NZ 3.22Å
183	L	95.9	Very high	95.5	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	23%	0.227	C	C	.	.			trans	-75.5	144.4	-177.3	-57.1	-175.7	0	0	0	111.4	L180 A185 I186 L189 L205 D215 K218 L219	L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 PolarHBondContact O-N 2.9Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-I186 WeakPolarHBondContact O-CB 3.46Å; L183-I186 PolarHBondContact O-N 2.81Å; L183-L189 HydrophobicContact CD1-CD1 4.28Å; L183-L189 HydrophobicContact CD1-CD2 4.29Å; L183-L205 HydrophobicContact CD1-CD2 4.45Å; L183-D215 WeakPolarHBondContact CA-OD1 3.44Å; L183-D215 HydrophobicContact CD2-CB 4.03Å; L183-K218 HydrophobicContact CD2-CB 3.94Å; L183-K218 HydrophobicContact CD2-CD 3.96Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å; L183-L219 HydrophobicContact CD1-CD2 4.18Å; L183-L219 HydrophobicContact CD1-CG 4.25Å; L183-L219 HydrophobicContact CD2-CG 4.25Å
184	Q	93.9	Very high	95.5	Very high	135 Å²	135	40.9 Å²	40.9	63%	0.631	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-65.8	-36.7	170.1	-61.5	176.4	-36	0	0	110.5	I186 S212 D215	Q184-I186 PolarHBondContact O-N 3.22Å; Q184-I186 VanDerWaalsContact O-N 3.13Å; Q184-S212 PolarHBondContact OE1-OG 2.96Å; Q184-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q184-D215 WeakPolarHBondContact CB-OD2 3.42Å; Q184-D215 VanDerWaalsContact N-CG 3.25Å; Q184-D215 PolarHBondContact N-OD1 3.35Å; Q184-D215 PolarHBondContact N-OD2 3.48Å
185	A	93.6	Very high	95.5	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-75.7	14.2	176.7	0	0	0	0	0	114.2	L183 R187 H188 L189 L211 D215	L183-A185 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 2.83Å; A185-H188 WeakPolarHBondContact O-CA 3.35Å; A185-H188 PolarHBondContact O-N 3.22Å; A185-L189 PolarHBondContact O-N 2.9Å; A185-L211 HydrophobicContact CB-CD2 3.59Å; A185-D215 WeakPolarHBondContact CB-OD2 3.41Å; A185-D215 PolarHBondContact N-OD2 3.39Å
186	I	94	Very high	95.5	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.128	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-49.6	-31.6	-178.6	-165.3	176	0	0	0	113.9	Y137 L144 L183 Q184 H188	Y137-I186 HydrophobicContact CD2-CD1 4.25Å; Y137-I186 HydrophobicContact CD2-CG1 4.05Å; Y137-I186 HydrophobicContact CD2-CG2 4.01Å; Y137-I186 HydrophobicContact CE2-CD1 4.28Å; Y137-I186 HydrophobicContact CE2-CG1 4.44Å; Y137-I186 HydrophobicContact CE2-CG2 3.84Å; L144-I186 HydrophobicContact CB-CD1 3.9Å; L144-I186 HydrophobicContact CB-CG1 3.98Å; L144-I186 HydrophobicContact CD1-CG1 4.28Å; L144-I186 HydrophobicContact CD2-CG1 4.28Å; L144-I186 HydrophobicContact CG-CG1 4.42Å; L183-I186 WeakPolarHBondContact O-CB 3.46Å; L183-I186 PolarHBondContact O-N 2.81Å; Q184-I186 PolarHBondContact O-N 3.22Å; Q184-I186 VanDerWaalsContact O-N 3.13Å; I186-H188 VanDerWaalsContact C-N 3.32Å
187	R	93.7	Very high	95.4	Very high	138 Å²	138	34.4 Å²	34.4	52%	0.521	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-77.7	-16.3	179.1	-54.2	-168.7	161.4	-156	-7.9	113.9	Y137 A185	Y137-R187 HydrophobicContact CD1-CB 4.16Å; Y137-R187 HydrophobicContact CD1-CG 3.62Å; Y137-R187 HydrophobicContact CD2-CG 4.14Å; Y137-R187 HydrophobicContact CE1-CG 3.54Å; Y137-R187 VanDerWaalsContact CE1-CZ 3.47Å; Y137-R187 HydrophobicContact CE2-CG 4.09Å; Y137-R187 HydrophobicContact CG-CB 4.3Å; Y137-R187 HydrophobicContact CG-CG 3.9Å; Y137-R187 VanDerWaalsContact CZ-NE 3.27Å; Y137-R187 PolarHBondContact OH-NE 2.88Å; Y137-R187 VanDerWaalsContact OH-NE 3.13Å; Y137-R187 PolarHBondContact OH-NH2 2.55Å; A185-R187 PolarHBondContact O-N 2.83Å
188	H	94.6	Very high	95.4	Very high	89 Å²	89	36.2 Å²	36.2	41%	0.412	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-112.7	13.5	-172.4	-59.9	-62.6	0	0	0	112.2	A185 I186 H207 T208 A209	A185-H188 WeakPolarHBondContact O-CA 3.35Å; A185-H188 PolarHBondContact O-N 3.22Å; I186-H188 VanDerWaalsContact C-N 3.32Å; H188-H207 CarbonylContact O-C 3.58Å; H188-T208 WeakPolarHBondContact CA-OG1 3.49Å; H188-T208 PolarHBondContact O-N 2.83Å; H188-T208 PolarHBondContact O-OG1 2.83Å; H188-A209 HydrophobicContact CB-CB 3.85Å
189	L	95.7	Very high	95.3	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.9	175	-52.9	-178.4	0	0	0	110.4	L135 L144 L180 L183 A185 L205 H207	L135-L189 HydrophobicContact CB-CB 4.21Å; L135-L189 HydrophobicContact CD1-CB 3.65Å; L135-L189 HydrophobicContact CD1-CD1 4.17Å; L144-L189 HydrophobicContact CD2-CD1 4.35Å; L180-L189 HydrophobicContact CB-CD1 4.01Å; L180-L189 HydrophobicContact CD2-CD1 4.22Å; L183-L189 HydrophobicContact CD1-CD1 4.28Å; L183-L189 HydrophobicContact CD1-CD2 4.29Å; A185-L189 PolarHBondContact O-N 2.9Å; L189-L205 HydrophobicContact CD2-CD1 4.37Å; L189-L205 HydrophobicContact CD2-CD2 4.25Å; L189-H207 HydrophobicContact CD2-CB 4.22Å
190	G	93.9	Very high	95.2	Very high	26 Å²	26	35.6 Å²	35.6	27%	0.268	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-64.3	179	0	0	0	0	0	112.5	L135 R206	L135-G190 PolarHBondContact N-O 3.15Å; L135-G190 VanDerWaalsContact N-O 3.1Å; G190-R206 PolarHBondContact N-O 2.9Å
191	H	95.9	Very high	95.2	Very high	25 Å²	25	36.5 Å²	36.5	12%	0.116	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	158.9	177.9	69.1	-96	0	0	0	110.3	R132 L133 E193 R206	R132-H191 HydrophobicContact CG-CB 4.37Å; R132-H191 VanDerWaalsContact CZ-CE1 3.48Å; R132-H191 PolarHBondContact NE-CD2 2.89Å; R132-H191 PolarHBondContact NE-CE1 2.83Å; R132-H191 PolarHBondContact NE-ND1 2.9Å; R132-H191 PolarHBondContact NE-NE2 3.41Å; R132-H191 PolarHBondContact NH2-CE1 3.06Å; R132-H191 PolarHBondContact NH2-ND1 3.18Å; L133-H191 VanDerWaalsContact O-CA 3.32Å; L133-H191 WeakPolarHBondContact O-CA 3.41Å; L133-H191 WeakPolarHBondContact O-CB 3.49Å; H191-E193 IonicContact CD2-OE1 2.73Å; H191-E193 IonicContact NE2-OE1 3.67Å; H191-E193 PolarHBondContact NE2-OE1 2.79Å; H191-R206 VanDerWaalsContact CE1-CB 3.43Å; H191-R206 WeakPolarHBondContact CE1-CB 3.27Å; H191-R206 WeakPolarHBondContact O-CB 3.47Å; H191-R206 PolarHBondContact O-N 3.44Å
192	V	97.1	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.3	171.1	62.2	0	0	0	0	109.4	L133 L135 M146 V176 L180 L194 M203 I204 L205	L133-V192 HydrophobicContact CB-CG1 3.83Å; L133-V192 HydrophobicContact CD1-CG1 4.13Å; L133-V192 PolarHBondContact N-O 3.31Å; L133-V192 PolarHBondContact O-N 3.48Å; L135-V192 HydrophobicContact CD1-CB 4.28Å; L135-V192 HydrophobicContact CD1-CG1 4.37Å; L135-V192 HydrophobicContact CD2-CG1 4.35Å; L135-V192 HydrophobicContact CG-CG1 4.5Å; M146-V192 HydrophobicContact SD-CG1 4.14Å; V176-V192 HydrophobicContact CG1-CG1 4.27Å; V176-V192 HydrophobicContact CG1-CG2 4.36Å; L180-V192 HydrophobicContact CD1-CB 4.2Å; L180-V192 HydrophobicContact CD1-CG1 4.04Å; V192-L194 HydrophobicContact CG2-CD2 4.25Å; V192-M203 HydrophobicContact CG2-CG 3.75Å; V192-M203 HydrophobicContact CG2-SD 4.2Å; V192-I204 CarbonylContact C-O 3.55Å; V192-I204 WeakPolarHBondContact CA-O 3.44Å; V192-L205 HydrophobicContact CB-CD1 4.14Å; V192-L205 HydrophobicContact CG2-CD1 4.5Å
193	E	97	Very high	95.5	Very high	20 Å²	20	32 Å²	32	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.6	173.9	-50.8	-177.9	159.9	0	0	109.2	R130 A131 R132 H191 M203 I204	R130-E193 IonicContact CZ-OE2 3.1Å; R130-E193 IonicContact NH1-OE2 2.94Å; R130-E193 IonicContact NH2-OE1 3.17Å; R130-E193 IonicContact NH2-OE2 2.74Å; R130-E193 PolarHBondContact NH2-OE2 2.63Å; A131-E193 CarbonylContact O-C 3.5Å; A131-E193 VanDerWaalsContact O-CA 3.23Å; A131-E193 WeakPolarHBondContact O-CA 3.43Å; R132-E193 HydrophobicContact CB-CG 4.19Å; R132-E193 WeakPolarHBondContact CD-OE1 3.22Å; R132-E193 HydrophobicContact CG-CG 4.02Å; R132-E193 IonicContact NE-OE1 2.71Å; H191-E193 IonicContact CD2-OE1 2.73Å; H191-E193 IonicContact NE2-OE1 3.67Å; H191-E193 PolarHBondContact NE2-OE1 2.79Å; E193-M203 WeakPolarHBondContact O-CA 3.28Å; E193-I204 HydrophobicContact CB-CB 4.15Å; E193-I204 HydrophobicContact CB-CD1 3.94Å; E193-I204 PolarHBondContact N-O 3.47Å; E193-I204 PolarHBondContact O-N 2.86Å
194	L	96.9	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.2	174.2	-59.8	-179.5	0	0	0	108.1	R130 A131 L133 L169 L172 V176 V192 L202 M203	R130-L194 CarbonylContact C-O 3.57Å; R130-L194 VanDerWaalsContact CA-O 3.28Å; R130-L194 WeakPolarHBondContact CA-O 3.49Å; A131-L194 PolarHBondContact N-O 3.46Å; A131-L194 PolarHBondContact O-N 2.91Å; L133-L194 HydrophobicContact CD1-CD1 4.16Å; L169-L194 HydrophobicContact CD1-CB 4.21Å; L169-L194 HydrophobicContact CD2-CB 3.96Å; L172-L194 HydrophobicContact CB-CD1 4.4Å; V176-L194 HydrophobicContact CG2-CD1 4.4Å; V176-L194 HydrophobicContact CG2-CD2 4.25Å; V192-L194 HydrophobicContact CG2-CD2 4.25Å; L194-L202 WeakPolarHBondContact CA-O 3.47Å; L194-M203 HydrophobicContact CD2-CB 4.03Å; L194-M203 HydrophobicContact CD2-CG 3.8Å; L194-M203 HydrophobicContact CD2-SD 4.32Å
195	V	96.8	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.6	-176.3	-173	0	0	0	0	109.4	R129 R130 T201 L202 I204 F258 I264	R129-V195 CarbonylContact O-C 3.46Å; R129-V195 WeakPolarHBondContact O-CA 3.32Å; R130-V195 HydrophobicContact CB-CG2 4.45Å; R130-V195 HydrophobicContact CG-CG2 4Å; V195-T201 CarbonylContact O-C 3.58Å; V195-T201 WeakPolarHBondContact O-CA 3.39Å; V195-L202 HydrophobicContact CB-CB 4.11Å; V195-L202 HydrophobicContact CB-CD1 4.17Å; V195-L202 HydrophobicContact CB-CG 4.22Å; V195-L202 HydrophobicContact CG1-CD1 4.34Å; V195-L202 PolarHBondContact N-O 3.08Å; V195-L202 PolarHBondContact O-N 3.25Å; V195-I204 HydrophobicContact CG2-CD1 3.89Å; V195-F258 HydrophobicContact CG1-CE2 4.33Å; V195-F258 HydrophobicContact CG1-CZ 4.32Å; V195-I264 HydrophobicContact CG1-CD1 3.57Å
196	Q	96.4	Very high	95.8	Very high	27 Å²	27	28 Å²	28	13%	0.126	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.5	171.7	-177.6	66.1	64.2	0	0	109.4	R129 V166 L169 G200 T201	R129-Q196 HydrophobicContact CB-CB 4.4Å; R129-Q196 VanDerWaalsContact CZ-O 3.25Å; R129-Q196 PolarHBondContact NE-O 3.12Å; R129-Q196 PolarHBondContact NH2-O 3.29Å; R129-Q196 PolarHBondContact O-N 3.13Å; V166-Q196 HydrophobicContact CG2-CB 3.7Å; V166-Q196 HydrophobicContact CG2-CG 4.05Å; L169-Q196 HydrophobicContact CD1-CB 4.26Å; L169-Q196 HydrophobicContact CD2-CB 4.25Å; L169-Q196 HydrophobicContact CG-CB 4.12Å; Q196-G200 PolarHBondContact NE2-O 3.13Å; Q196-T201 PolarHBondContact NE2-OG1 2.99Å; Q196-T201 PolarHBondContact OE1-OG1 3.45Å
197	A	94.9	Very high	95.9	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	14%	0.144	C	C	.	.			trans	-107.2	176.7	172.1	0	0	0	0	0	110.5	S199 G200 W248 F258	A197-S199 VanDerWaalsContact C-N 3.34Å; A197-G200 WeakPolarHBondContact CA-O 3.39Å; A197-G200 WeakPolarHBondContact CB-O 3.4Å; A197-G200 PolarHBondContact N-O 3.1Å; A197-W248 WeakPolarHBondContact CB-O 3.14Å; A197-F258 HydrophobicContact CB-CE1 3.87Å; A197-F258 HydrophobicContact CB-CZ 3.9Å
198	T	94.4	Very high	95.8	Very high	70 Å²	70	24.8 Å²	24.8	43%	0.429	14%	0.144	S	C	.	.	S	Bend	trans	-73.5	-34	170.9	-51	0	0	0	0	110.3	G200 W248 Y249 D250	T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.39Å; T198-W248 HydrophobicContact CG2-CE3 4.34Å; T198-W248 HydrophobicContact CG2-CH2 3.79Å; T198-W248 HydrophobicContact CG2-CZ3 3.45Å; T198-W248 VanDerWaalsContact CG2-CZ3 3.45Å; T198-W248 PolarHBondContact N-O 3.28Å; T198-Y249 WeakPolarHBondContact OG1-CA 3.4Å; T198-D250 PolarHBondContact OG1-N 3.01Å; T198-D250 VanDerWaalsContact OG1-N 3.09Å
199	S	94.3	Very high	95.6	Very high	44 Å²	44	21.9 Å²	21.9	31%	0.308	14%	0.136	S	C	.	.	S	Bend	trans	-65.7	-27.2	176.3	65.5	0	0	0	0	114.2	A197 P247 W248	A197-S199 VanDerWaalsContact C-N 3.34Å; S199-P247 WeakPolarHBondContact OG-CA 3.46Å; S199-W248 VanDerWaalsContact CB-CD1 3.48Å; S199-W248 WeakPolarHBondContact CB-O 3.45Å; S199-W248 PolarHBondContact N-O 3.2Å; S199-W248 PolarHBondContact OG-N 3.32Å; S199-W248 VanDerWaalsContact OG-N 3.08Å; S199-W248 PolarHBondContact OG-O 2.96Å
200	G	94.3	Very high	95.5	Very high	21 Å²	21	27.2 Å²	27.2	22%	0.216	17%	0.171	C	C	.	.			trans	157.1	-172	-174	0	0	0	0	0	113.3	Q196 A197 T198	Q196-G200 PolarHBondContact NE2-O 3.13Å; A197-G200 WeakPolarHBondContact CA-O 3.39Å; A197-G200 WeakPolarHBondContact CB-O 3.4Å; A197-G200 PolarHBondContact N-O 3.1Å; T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.39Å
201	T	97	Very high	95.5	Very high	19 Å²	19	27.3 Å²	27.3	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.3	-180	-52.8	0	0	0	0	110.1	L169 L172 V195 Q196 L228 D229	L169-T201 HydrophobicContact CD2-CG2 3.51Å; L172-T201 HydrophobicContact CD1-CG2 3.73Å; V195-T201 CarbonylContact O-C 3.58Å; V195-T201 WeakPolarHBondContact O-CA 3.39Å; Q196-T201 PolarHBondContact NE2-OG1 2.99Å; Q196-T201 PolarHBondContact OE1-OG1 3.45Å; T201-L228 HydrophobicContact CG2-CD2 3.75Å; T201-L228 WeakPolarHBondContact O-CA 3.35Å; T201-D229 PolarHBondContact O-N 2.94Å
202	L	97.1	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140	-178.2	-35.7	178.5	0	0	0	110.6	L194 V195 I204 D229 Y231 P247 F258 P260	L194-L202 WeakPolarHBondContact CA-O 3.47Å; V195-L202 HydrophobicContact CB-CB 4.11Å; V195-L202 HydrophobicContact CB-CD1 4.17Å; V195-L202 HydrophobicContact CB-CG 4.22Å; V195-L202 HydrophobicContact CG1-CD1 4.34Å; V195-L202 PolarHBondContact N-O 3.08Å; V195-L202 PolarHBondContact O-N 3.25Å; L202-I204 HydrophobicContact CB-CD1 4.32Å; L202-D229 CarbonylContact C-O 3.59Å; L202-D229 WeakPolarHBondContact CA-O 3.48Å; L202-D229 HydrophobicContact CD2-CB 3.59Å; L202-D229 WeakPolarHBondContact CD2-OD2 3.41Å; L202-Y231 HydrophobicContact CB-CE2 4.39Å; L202-Y231 HydrophobicContact CD2-CE2 4.26Å; L202-P247 HydrophobicContact CD1-CB 3.71Å; L202-P247 HydrophobicContact CD1-CG 3.7Å; L202-P247 HydrophobicContact CD2-CB 3.79Å; L202-P247 HydrophobicContact CD2-CG 4.41Å; L202-P247 HydrophobicContact CG-CB 4.35Å; L202-F258 HydrophobicContact CD1-CE2 3.78Å; L202-F258 HydrophobicContact CD1-CZ 3.67Å; L202-P260 HydrophobicContact CD1-CB 4.31Å; L202-P260 HydrophobicContact CD1-CG 4.41Å
203	M	97.3	Very high	95.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.6	167.8	-176.6	170.8	75.7	0	0	109.9	V176 V192 E193 L194 L219 F222 L228 D229 L230 Y231	V176-M203 HydrophobicContact CG1-SD 4.25Å; V176-M203 HydrophobicContact CG2-SD 4.06Å; V192-M203 HydrophobicContact CG2-CG 3.75Å; V192-M203 HydrophobicContact CG2-SD 4.2Å; E193-M203 WeakPolarHBondContact O-CA 3.28Å; L194-M203 HydrophobicContact CD2-CB 4.03Å; L194-M203 HydrophobicContact CD2-CG 3.8Å; L194-M203 HydrophobicContact CD2-SD 4.32Å; M203-L219 HydrophobicContact CE-CD2 4.19Å; M203-F222 HydrophobicContact CE-CD1 3.72Å; M203-F222 HydrophobicContact CE-CE1 3.78Å; M203-F222 HydrophobicContact SD-CD1 4.34Å; M203-F222 HydrophobicContact SD-CE1 3.77Å; M203-L228 HydrophobicContact CB-CD1 4.39Å; M203-D229 PolarHBondContact N-O 3.16Å; M203-L230 HydrophobicContact CE-CD1 3.49Å; M203-L230 VanDerWaalsContact CE-CD1 3.49Å; M203-Y231 PolarHBondContact O-N 3.31Å
204	I	96.7	Very high	95.3	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.9	175.1	-49.5	97.6	0	0	0	109.5	V192 E193 V195 L202 Y231 A233 L239 P260	V192-I204 CarbonylContact C-O 3.55Å; V192-I204 WeakPolarHBondContact CA-O 3.44Å; E193-I204 HydrophobicContact CB-CB 4.15Å; E193-I204 HydrophobicContact CB-CD1 3.94Å; E193-I204 PolarHBondContact N-O 3.47Å; E193-I204 PolarHBondContact O-N 2.86Å; V195-I204 HydrophobicContact CG2-CD1 3.89Å; L202-I204 HydrophobicContact CB-CD1 4.32Å; I204-Y231 CarbonylContact C-O 3.57Å; I204-Y231 WeakPolarHBondContact CA-O 3.36Å; I204-Y231 HydrophobicContact CG1-CD2 4.29Å; I204-Y231 HydrophobicContact CG1-CG 4.45Å; I204-A233 HydrophobicContact CG2-CB 4.43Å; I204-L239 HydrophobicContact CG2-CD1 3.71Å; I204-P260 HydrophobicContact CD1-CB 4.11Å; I204-P260 HydrophobicContact CG1-CB 3.9Å
205	L	97.5	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.7	179.4	-178.2	63.3	0	0	0	111.3	L135 L180 L183 L189 V192 L219 Y231 L232 A233	L135-L205 HydrophobicContact CD1-CD1 3.98Å; L180-L205 HydrophobicContact CD1-CD1 4.31Å; L180-L205 HydrophobicContact CD2-CD1 3.85Å; L180-L205 HydrophobicContact CD2-CD2 3.81Å; L180-L205 HydrophobicContact CD2-CG 4.48Å; L183-L205 HydrophobicContact CD1-CD2 4.45Å; L189-L205 HydrophobicContact CD2-CD1 4.37Å; L189-L205 HydrophobicContact CD2-CD2 4.25Å; V192-L205 HydrophobicContact CB-CD1 4.14Å; V192-L205 HydrophobicContact CG2-CD1 4.5Å; L205-L219 HydrophobicContact CD2-CD1 3.74Å; L205-L219 HydrophobicContact CD2-CD2 3.82Å; L205-L219 HydrophobicContact CD2-CG 4.46Å; L205-Y231 PolarHBondContact N-O 3.39Å; L205-L232 HydrophobicContact CB-CD2 4.02Å; L205-L232 HydrophobicContact CD2-CD2 4.34Å; L205-A233 PolarHBondContact O-N 3.08Å
206	R	96	Very high	95.2	Very high	57 Å²	57	37 Å²	37	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.4	170.1	178.7	76.3	-176.2	77.9	-0.4	109.8	G190 H191 A233 P234 D235	G190-R206 PolarHBondContact N-O 2.9Å; H191-R206 VanDerWaalsContact CE1-CB 3.43Å; H191-R206 WeakPolarHBondContact CE1-CB 3.27Å; H191-R206 WeakPolarHBondContact O-CB 3.47Å; H191-R206 PolarHBondContact O-N 3.44Å; R206-A233 WeakPolarHBondContact CA-O 3.3Å; R206-A233 HydrophobicContact CB-CB 4.47Å; R206-A233 WeakPolarHBondContact CD-O 3.44Å; R206-A233 PolarHBondContact NH1-O 2.78Å; R206-P234 VanDerWaalsContact NH1-C 3.32Å; R206-P234 PolarHBondContact NH1-O 3.13Å; R206-D235 PolarHBondContact NE-O 3.38Å
207	H	95.6	Very high	95.2	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.4	178.1	64	91	0	0	0	111.7	H188 L189 A209 L211 A233 P234	H188-H207 CarbonylContact O-C 3.58Å; L189-H207 HydrophobicContact CD2-CB 4.22Å; H207-A209 PolarHBondContact ND1-O 3.31Å; H207-L211 HydrophobicContact CB-CD2 4.01Å; H207-L211 HydrophobicContact CB-CG 4.49Å; H207-A233 PolarHBondContact N-O 2.95Å; H207-P234 CarbonylContact O-C 3.57Å; H207-P234 WeakPolarHBondContact O-CA 3.46Å
208	T	92.7	Very high	95.3	Very high	86 Å²	86	43.6 Å²	43.6	53%	0.528	26%	0.259	S	S	.	.	S	Bend	trans	-91.8	-6.5	-169.2	58.4	0	0	0	0	114.5	H188	H188-T208 WeakPolarHBondContact CA-OG1 3.49Å; H188-T208 PolarHBondContact O-N 2.83Å; H188-T208 PolarHBondContact O-OG1 2.83Å
209	A	90.9	Very high	95.4	Very high	29 Å²	29	40.3 Å²	40.3	24%	0.24	24%	0.239	C	C	.	.	S	Bend	trans	-138.5	155.6	174.6	0	0	0	0	0	109.5	H188 H207 L211	H188-A209 HydrophobicContact CB-CB 3.85Å; H207-A209 PolarHBondContact ND1-O 3.31Å; A209-L211 PolarHBondContact O-N 3.42Å
210	P	92.3	Very high	95.5	Very high	125 Å²	125	41.8 Å²	41.8	81%	0.812	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-52.9	135.6	175	-25.8	34.7	0	0	0	111.9
211	L	94.8	Very high	95.5	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.147	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-80	141	175.9	-59.6	-179.8	0	0	0	110	A185 H207 A209 D215 L219 L232	A185-L211 HydrophobicContact CB-CD2 3.59Å; H207-L211 HydrophobicContact CB-CD2 4.01Å; H207-L211 HydrophobicContact CB-CG 4.49Å; A209-L211 PolarHBondContact O-N 3.42Å; L211-D215 HydrophobicContact CB-CB 4.4Å; L211-L219 HydrophobicContact CD1-CD1 3.59Å; L211-L232 HydrophobicContact CD1-CD1 4.08Å; L211-L232 HydrophobicContact CD1-CD2 4.26Å
212	S	94.9	Very high	95.5	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-67.3	157.5	171.5	69.5	0	0	0	0	110.4	Q184 A214 D215 R216	Q184-S212 PolarHBondContact OE1-OG 2.96Å; S212-A214 PolarHBondContact O-N 3.39Å; S212-D215 PolarHBondContact O-N 2.86Å; S212-D215 VanDerWaalsContact O-N 3.09Å; S212-D215 PolarHBondContact OG-N 3.05Å; S212-R216 PolarHBondContact O-N 2.97Å
213	S	94.5	Very high	95.5	Very high	105 Å²	105	49 Å²	49	73%	0.734	26%	0.26	S	S	*	.	H	α-helix	trans	-55.8	-37.7	174.1	50	0	0	0	0	112.1	R216 E217	S213-R216 PolarHBondContact O-N 3.49Å; S213-E217 WeakPolarHBondContact O-CB 3.49Å; S213-E217 PolarHBondContact O-N 3.48Å
214	A	95.9	Very high	95.3	Very high	36 Å²	36	56.7 Å²	56.7	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-38.6	176	0	0	0	0	0	113	S212 K218	S212-A214 PolarHBondContact O-N 3.39Å; A214-K218 VanDerWaalsContact O-CG 3.32Å; A214-K218 WeakPolarHBondContact O-CG 3.36Å; A214-K218 PolarHBondContact O-N 2.92Å; A214-K218 VanDerWaalsContact O-N 3.13Å
215	D	96.9	Very high	95.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-71.2	-38.6	175.8	-78.6	-6.6	0	0	0	111.9	L183 Q184 A185 L211 S212 K218 L219	L183-D215 WeakPolarHBondContact CA-OD1 3.44Å; L183-D215 HydrophobicContact CD2-CB 4.03Å; Q184-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q184-D215 WeakPolarHBondContact CB-OD2 3.42Å; Q184-D215 VanDerWaalsContact N-CG 3.25Å; Q184-D215 PolarHBondContact N-OD1 3.35Å; Q184-D215 PolarHBondContact N-OD2 3.48Å; A185-D215 WeakPolarHBondContact CB-OD2 3.41Å; A185-D215 PolarHBondContact N-OD2 3.39Å; L211-D215 HydrophobicContact CB-CB 4.4Å; S212-D215 PolarHBondContact O-N 2.86Å; S212-D215 VanDerWaalsContact O-N 3.09Å; S212-D215 PolarHBondContact OG-N 3.05Å; D215-K218 PolarHBondContact O-N 3.4Å; D215-K218 IonicContact OD1-NZ 2.78Å; D215-L219 WeakPolarHBondContact O-CG 3.48Å; D215-L219 PolarHBondContact O-N 3.41Å
216	R	95.9	Very high	95.2	Very high	68 Å²	68	63.5 Å²	63.5	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-47.3	172.4	174.3	176.6	-75.2	-95.3	3.1	111.5	S212 S213 K218 L219 E220 E240	S212-R216 PolarHBondContact O-N 2.97Å; S213-R216 PolarHBondContact O-N 3.49Å; R216-K218 VanDerWaalsContact C-N 3.31Å; R216-K218 PolarHBondContact O-N 2.85Å; R216-L219 WeakPolarHBondContact O-CB 3.37Å; R216-L219 PolarHBondContact O-N 2.74Å; R216-L219 VanDerWaalsContact O-N 3.1Å; R216-E220 WeakPolarHBondContact CD-OE1 3.44Å; R216-E220 HydrophobicContact CG-CG 4.34Å; R216-E220 WeakPolarHBondContact CG-OE1 3.33Å; R216-E220 IonicContact NH1-OE1 2.91Å; R216-E220 WeakPolarHBondContact O-CG 3.48Å; R216-E220 PolarHBondContact O-N 3.47Å; R216-E240 IonicContact CZ-OE1 3.69Å; R216-E240 IonicContact CZ-OE2 3.24Å; R216-E240 IonicContact NH1-OE1 3.29Å; R216-E240 PolarHBondContact NH1-OE1 3.33Å; R216-E240 IonicContact NH1-OE2 3.09Å; R216-E240 IonicContact NH2-OE1 4Å; R216-E240 PolarHBondContact NH2-OE1 3.32Å; R216-E240 IonicContact NH2-OE2 2.82Å; R216-E240 PolarHBondContact NH2-OE2 3.24Å
217	E	95.2	Very high	95.1	Very high	96 Å²	96	63.6 Å²	63.6	45%	0.449	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-40.9	177.8	-167.6	-155.9	139	0	0	111.6	S213 L219 E220 R221	S213-E217 WeakPolarHBondContact O-CB 3.49Å; S213-E217 PolarHBondContact O-N 3.48Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.81Å; E217-E220 PolarHBondContact O-N 3.12Å; E217-R221 HydrophobicContact CG-CG 4.44Å; E217-R221 WeakPolarHBondContact O-CB 3.43Å; E217-R221 VanDerWaalsContact O-CG 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 3.2Å; E217-R221 WeakPolarHBondContact OE1-CD 3.45Å; E217-R221 IonicContact OE1-NH1 3.77Å; E217-R221 PolarHBondContact OE1-NH1 3.28Å
218	K	96.5	Very high	95.2	Very high	72 Å²	72	63.4 Å²	63.4	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-42	174.9	-74.6	170.4	-173.3	167.3	0	112.1	S182 L183 A214 D215 R216 F222	S182-K218 PolarHBondContact O-NZ 3.22Å; L183-K218 HydrophobicContact CD2-CB 3.94Å; L183-K218 HydrophobicContact CD2-CD 3.96Å; A214-K218 VanDerWaalsContact O-CG 3.32Å; A214-K218 WeakPolarHBondContact O-CG 3.36Å; A214-K218 PolarHBondContact O-N 2.92Å; A214-K218 VanDerWaalsContact O-N 3.13Å; D215-K218 PolarHBondContact O-N 3.4Å; D215-K218 IonicContact OD1-NZ 2.78Å; R216-K218 VanDerWaalsContact C-N 3.31Å; R216-K218 PolarHBondContact O-N 2.85Å; K218-F222 WeakPolarHBondContact O-CB 3.36Å; K218-F222 PolarHBondContact O-N 2.88Å
219	L	97	Very high	95.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-44	178.3	-73.6	165	0	0	0	111.7	L180 L183 M203 L205 L211 D215 R216 E217 F222 S223 L230 L232	L180-L219 HydrophobicContact CD2-CD2 4.08Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å; L183-L219 HydrophobicContact CD1-CD2 4.18Å; L183-L219 HydrophobicContact CD1-CG 4.25Å; L183-L219 HydrophobicContact CD2-CG 4.25Å; M203-L219 HydrophobicContact CE-CD2 4.19Å; L205-L219 HydrophobicContact CD2-CD1 3.74Å; L205-L219 HydrophobicContact CD2-CD2 3.82Å; L205-L219 HydrophobicContact CD2-CG 4.46Å; L211-L219 HydrophobicContact CD1-CD1 3.59Å; D215-L219 WeakPolarHBondContact O-CG 3.48Å; D215-L219 PolarHBondContact O-N 3.41Å; R216-L219 WeakPolarHBondContact O-CB 3.37Å; R216-L219 PolarHBondContact O-N 2.74Å; R216-L219 VanDerWaalsContact O-N 3.1Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.81Å; L219-F222 PolarHBondContact O-N 3.08Å; L219-S223 WeakPolarHBondContact O-CB 3.31Å; L219-S223 PolarHBondContact O-N 2.85Å; L219-S223 PolarHBondContact O-OG 2.81Å; L219-L230 HydrophobicContact CB-CD2 3.82Å; L219-L232 HydrophobicContact CD1-CD2 4.08Å
220	E	95.8	Very high	95.6	Very high	75 Å²	75	59.5 Å²	59.5	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-47	176.4	-77.8	169.5	-172.5	0	0	112.1	R216 E217 F222 S223 H224 V242	R216-E220 WeakPolarHBondContact CD-OE1 3.44Å; R216-E220 HydrophobicContact CG-CG 4.34Å; R216-E220 WeakPolarHBondContact CG-OE1 3.33Å; R216-E220 IonicContact NH1-OE1 2.91Å; R216-E220 WeakPolarHBondContact O-CG 3.48Å; R216-E220 PolarHBondContact O-N 3.47Å; E217-E220 PolarHBondContact O-N 3.12Å; E220-F222 VanDerWaalsContact C-N 3.31Å; E220-F222 PolarHBondContact O-N 3.14Å; E220-S223 PolarHBondContact O-N 3.02Å; E220-S223 PolarHBondContact O-OG 3.49Å; E220-H224 VanDerWaalsContact O-CB 3.23Å; E220-H224 WeakPolarHBondContact O-CB 3.5Å; E220-H224 PolarHBondContact O-N 2.85Å; E220-V242 HydrophobicContact CG-CG1 3.32Å
221	R	96	Very high	95.9	Very high	166 Å²	166	53.8 Å²	53.8	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-39.5	176.7	-73.6	172.6	59.3	-179.5	-1.7	111.8	E217 S225	E217-R221 HydrophobicContact CG-CG 4.44Å; E217-R221 WeakPolarHBondContact O-CB 3.43Å; E217-R221 VanDerWaalsContact O-CG 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 3.2Å; E217-R221 WeakPolarHBondContact OE1-CD 3.45Å; E217-R221 IonicContact OE1-NH1 3.77Å; E217-R221 PolarHBondContact OE1-NH1 3.28Å; R221-S225 VanDerWaalsContact O-CB 3.25Å; R221-S225 WeakPolarHBondContact O-CB 3.26Å; R221-S225 PolarHBondContact O-N 2.94Å
222	F	96.9	Very high	95.9	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-50.3	176.4	171.7	-100.9	0	0	0	111.5	K175 V176 C179 M203 K218 L219 E220 H224 S225 E226 L228	K175-F222 HydrophobicContact CB-CE2 3.87Å; K175-F222 HydrophobicContact CB-CZ 4.21Å; V176-F222 HydrophobicContact CB-CZ 4.36Å; V176-F222 HydrophobicContact CG2-CE1 3.95Å; V176-F222 HydrophobicContact CG2-CZ 3.7Å; C179-F222 HydrophobicContact CB-CB 4.3Å; C179-F222 HydrophobicContact CB-CD1 4.12Å; C179-F222 HydrophobicContact CB-CD2 3.67Å; C179-F222 HydrophobicContact CB-CE1 4.41Å; C179-F222 HydrophobicContact CB-CE2 3.99Å; C179-F222 HydrophobicContact CB-CG 3.73Å; C179-F222 HydrophobicContact CB-CZ 4.36Å; C179-F222 VanDerWaalsContact SG-CB 3.57Å; C179-F222 VanDerWaalsContact SG-CG 3.52Å; M203-F222 HydrophobicContact CE-CD1 3.72Å; M203-F222 HydrophobicContact CE-CE1 3.78Å; M203-F222 HydrophobicContact SD-CD1 4.34Å; M203-F222 HydrophobicContact SD-CE1 3.77Å; K218-F222 WeakPolarHBondContact O-CB 3.36Å; K218-F222 PolarHBondContact O-N 2.88Å; L219-F222 PolarHBondContact O-N 3.08Å; E220-F222 VanDerWaalsContact C-N 3.31Å; E220-F222 PolarHBondContact O-N 3.14Å; F222-H224 VanDerWaalsContact C-N 3.33Å; F222-H224 PolarHBondContact O-N 3.05Å; F222-S225 PolarHBondContact O-N 3.26Å; F222-E226 HydrophobicContact CD2-CG 4.2Å; F222-E226 HydrophobicContact CE2-CG 3.76Å; F222-E226 HydrophobicContact CZ-CG 4.06Å; F222-E226 WeakPolarHBondContact O-CB 3.18Å; F222-E226 PolarHBondContact O-N 3.03Å; F222-L228 HydrophobicContact CD1-CD1 4.46Å; F222-L228 HydrophobicContact CE1-CD1 3.74Å; F222-L228 HydrophobicContact CZ-CD1 4.25Å
223	S	95.9	Very high	96	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-41.6	180	64	0	0	0	0	111.3	L219 E220 E226 G227 L228	L219-S223 WeakPolarHBondContact O-CB 3.31Å; L219-S223 PolarHBondContact O-N 2.85Å; L219-S223 PolarHBondContact O-OG 2.81Å; E220-S223 PolarHBondContact O-N 3.02Å; E220-S223 PolarHBondContact O-OG 3.49Å; S223-E226 PolarHBondContact O-N 2.8Å; S223-G227 PolarHBondContact O-N 2.91Å; S223-L228 PolarHBondContact O-N 2.82Å
224	H	94.4	Very high	95.9	Very high	164 Å²	164	47.9 Å²	47.9	76%	0.759	25%	0.25	S	S	*	.	H	α-helix	trans	-62.8	-44.8	175.7	-171.9	69.3	0	0	0	112.5	E220 F222 E226 G227	E220-H224 VanDerWaalsContact O-CB 3.23Å; E220-H224 WeakPolarHBondContact O-CB 3.5Å; E220-H224 PolarHBondContact O-N 2.85Å; F222-H224 VanDerWaalsContact C-N 3.33Å; F222-H224 PolarHBondContact O-N 3.05Å; H224-E226 VanDerWaalsContact C-N 3.26Å; H224-E226 PolarHBondContact O-N 2.81Å; H224-G227 PolarHBondContact O-N 3.44Å
225	S	95.6	Very high	95.7	Very high	93 Å²	93	48.8 Å²	48.8	65%	0.65	25%	0.25	S	C	*	.	H	α-helix	trans	-64	-30.9	179	-177.6	0	0	0	0	113.3	R221 F222	R221-S225 VanDerWaalsContact O-CB 3.25Å; R221-S225 WeakPolarHBondContact O-CB 3.26Å; R221-S225 PolarHBondContact O-N 2.94Å; F222-S225 PolarHBondContact O-N 3.26Å
226	E	95.7	Very high	95.1	Very high	56 Å²	56	52.9 Å²	52.9	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-99.9	1	-177.5	-66.3	-64.9	143.3	0	0	112.8	L172 K175 F222 S223 H224 L228	L172-E226 HydrophobicContact CD2-CB 4.2Å; L172-E226 HydrophobicContact CD2-CG 4.32Å; K175-E226 HydrophobicContact CD-CG 4.39Å; K175-E226 VanDerWaalsContact CD-OE1 3.23Å; K175-E226 WeakPolarHBondContact CD-OE1 3.01Å; K175-E226 WeakPolarHBondContact CD-OE2 3.41Å; K175-E226 WeakPolarHBondContact CE-OE2 3.35Å; K175-E226 IonicContact NZ-OE1 3.87Å; K175-E226 PolarHBondContact NZ-OE1 3.18Å; K175-E226 IonicContact NZ-OE2 3.82Å; K175-E226 PolarHBondContact NZ-OE2 2.9Å; F222-E226 HydrophobicContact CD2-CG 4.2Å; F222-E226 HydrophobicContact CE2-CG 3.76Å; F222-E226 HydrophobicContact CZ-CG 4.06Å; F222-E226 WeakPolarHBondContact O-CB 3.18Å; F222-E226 PolarHBondContact O-N 3.03Å; S223-E226 PolarHBondContact O-N 2.8Å; H224-E226 VanDerWaalsContact C-N 3.26Å; H224-E226 PolarHBondContact O-N 2.81Å; E226-L228 HydrophobicContact CB-CD1 3.83Å; E226-L228 HydrophobicContact CB-CD2 4.23Å; E226-L228 HydrophobicContact CB-CG 3.67Å
227	G	94.2	Very high	94.6	Very high	59 Å²	59	57.3 Å²	57.3	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	40.9	-178.5	0	0	0	0	0	113.2	S223 H224	S223-G227 PolarHBondContact O-N 2.91Å; H224-G227 PolarHBondContact O-N 3.44Å
228	L	96.4	Very high	94.3	Very high	7 Å²	7	57 Å²	57	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140	-176.8	-48.3	178.4	0	0	0	111.5	L172 T201 M203 F222 S223 E226 L230 S243	L172-L228 HydrophobicContact CD1-CD1 4.37Å; L172-L228 HydrophobicContact CD1-CD2 3.69Å; L172-L228 HydrophobicContact CD2-CD1 4.17Å; L172-L228 HydrophobicContact CD2-CD2 4.18Å; T201-L228 HydrophobicContact CG2-CD2 3.75Å; T201-L228 WeakPolarHBondContact O-CA 3.35Å; M203-L228 HydrophobicContact CB-CD1 4.39Å; F222-L228 HydrophobicContact CD1-CD1 4.46Å; F222-L228 HydrophobicContact CE1-CD1 3.74Å; F222-L228 HydrophobicContact CZ-CD1 4.25Å; S223-L228 PolarHBondContact O-N 2.82Å; E226-L228 HydrophobicContact CB-CD1 3.83Å; E226-L228 HydrophobicContact CB-CD2 4.23Å; E226-L228 HydrophobicContact CB-CG 3.67Å; L228-L230 PolarHBondContact O-N 2.79Å; L228-S243 PolarHBondContact O-OG 2.88Å
229	D	96.6	Very high	94.1	Very high	33 Å²	33	55.5 Å²	55.5	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.9	164.3	-60.9	-28.4	0	0	0	108.4	T201 L202 M203 Y231 S243 G244	T201-D229 PolarHBondContact O-N 2.94Å; L202-D229 CarbonylContact C-O 3.59Å; L202-D229 WeakPolarHBondContact CA-O 3.48Å; L202-D229 HydrophobicContact CD2-CB 3.59Å; L202-D229 WeakPolarHBondContact CD2-OD2 3.41Å; M203-D229 PolarHBondContact N-O 3.16Å; D229-Y231 HydrophobicContact CB-CE2 3.77Å; D229-S243 CarbonylContact C-O 3.58Å; D229-S243 VanDerWaalsContact CA-O 3.28Å; D229-S243 WeakPolarHBondContact CA-O 3.37Å; D229-G244 WeakPolarHBondContact OD1-CA 3.04Å
230	L	97.4	Very high	94	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.3	-173.2	176.4	60.5	0	0	0	110.7	M203 L219 L228 L232 V242 S243	M203-L230 HydrophobicContact CE-CD1 3.49Å; M203-L230 VanDerWaalsContact CE-CD1 3.49Å; L219-L230 HydrophobicContact CB-CD2 3.82Å; L228-L230 PolarHBondContact O-N 2.79Å; L230-L232 HydrophobicContact CD1-CD2 4.08Å; L230-L232 HydrophobicContact CG-CD2 4.39Å; L230-V242 HydrophobicContact CB-CB 4.07Å; L230-V242 HydrophobicContact CD2-CB 3.92Å; L230-V242 HydrophobicContact CD2-CG1 3.83Å; L230-V242 HydrophobicContact CD2-CG2 4.2Å; L230-V242 HydrophobicContact CG-CB 3.88Å; L230-V242 HydrophobicContact CG-CG1 4.35Å; L230-V242 HydrophobicContact CG-CG2 4.12Å; L230-V242 WeakPolarHBondContact O-CB 3.23Å; L230-V242 PolarHBondContact O-N 2.74Å; L230-S243 WeakPolarHBondContact CB-OG 3.41Å; L230-S243 PolarHBondContact N-O 3.27Å; L230-S243 PolarHBondContact N-OG 2.93Å; L230-S243 PolarHBondContact O-N 3.32Å
231	Y	96.8	Very high	93.9	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.2	173.4	-58.5	-92.1	0	0	0	110.9	L202 M203 I204 L205 D229 L239 E240 T241 E245 P260	L202-Y231 HydrophobicContact CB-CE2 4.39Å; L202-Y231 HydrophobicContact CD2-CE2 4.26Å; M203-Y231 PolarHBondContact O-N 3.31Å; I204-Y231 CarbonylContact C-O 3.57Å; I204-Y231 WeakPolarHBondContact CA-O 3.36Å; I204-Y231 HydrophobicContact CG1-CD2 4.29Å; I204-Y231 HydrophobicContact CG1-CG 4.45Å; L205-Y231 PolarHBondContact N-O 3.39Å; D229-Y231 HydrophobicContact CB-CE2 3.77Å; Y231-L239 HydrophobicContact CD1-CD2 3.77Å; Y231-L239 HydrophobicContact CD1-CG 4.11Å; Y231-L239 HydrophobicContact CE1-CD2 4.46Å; Y231-L239 HydrophobicContact CG-CD2 4.26Å; Y231-L239 HydrophobicContact CG-CG 4.49Å; Y231-E240 CarbonylContact C-O 3.56Å; Y231-E240 VanDerWaalsContact CA-O 3.24Å; Y231-E240 WeakPolarHBondContact CA-O 3.33Å; Y231-T241 HydrophobicContact CD1-CG2 4.26Å; Y231-T241 HydrophobicContact CE1-CG2 3.73Å; Y231-T241 WeakPolarHBondContact CE1-OG1 2.96Å; Y231-E245 PolarHBondContact OH-O 3.36Å; Y231-P260 HydrophobicContact CD1-CG 3.82Å; Y231-P260 HydrophobicContact CD2-CB 4.2Å; Y231-P260 HydrophobicContact CD2-CG 3.87Å; Y231-P260 HydrophobicContact CE1-CG 3.51Å; Y231-P260 HydrophobicContact CE2-CB 4.32Å; Y231-P260 HydrophobicContact CE2-CG 3.6Å; Y231-P260 HydrophobicContact CG-CB 4.32Å; Y231-P260 HydrophobicContact CG-CG 3.97Å; Y231-P260 VanDerWaalsContact CZ-CG 3.41Å
232	L	96.7	Very high	93.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.7	176.7	-57.5	178.5	0	0	0	110	L205 L211 L219 L230 P234 E240 V242	L205-L232 HydrophobicContact CB-CD2 4.02Å; L205-L232 HydrophobicContact CD2-CD2 4.34Å; L211-L232 HydrophobicContact CD1-CD1 4.08Å; L211-L232 HydrophobicContact CD1-CD2 4.26Å; L219-L232 HydrophobicContact CD1-CD2 4.08Å; L230-L232 HydrophobicContact CD1-CD2 4.08Å; L230-L232 HydrophobicContact CG-CD2 4.39Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å; L232-E240 HydrophobicContact CB-CB 4.37Å; L232-E240 PolarHBondContact N-O 3.27Å; L232-E240 PolarHBondContact O-N 3.11Å; L232-V242 HydrophobicContact CD1-CG2 3.56Å; L232-V242 HydrophobicContact CG-CG2 3.61Å
233	A	95.4	Very high	93.6	Very high	7 Å²	7	53.3 Å²	53.3	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	92.7	177.7	0	0	0	0	0	109.5	I204 L205 R206 H207 D235 L239	I204-A233 HydrophobicContact CG2-CB 4.43Å; L205-A233 PolarHBondContact O-N 3.08Å; R206-A233 WeakPolarHBondContact CA-O 3.3Å; R206-A233 HydrophobicContact CB-CB 4.47Å; R206-A233 WeakPolarHBondContact CD-O 3.44Å; R206-A233 PolarHBondContact NH1-O 2.78Å; H207-A233 PolarHBondContact N-O 2.95Å; A233-D235 PolarHBondContact O-N 3.38Å; A233-L239 HydrophobicContact CB-CD1 4.21Å
234	P	93.5	Very high	93.3	Very high	41 Å²	41	55 Å²	55	27%	0.266	32%	0.324	S	S	.	.	S	Bend	trans	-68.4	-27.2	177	26.8	-33.4	0	0	0	112	R206 H207 L232 I238	R206-P234 VanDerWaalsContact NH1-C 3.32Å; R206-P234 PolarHBondContact NH1-O 3.13Å; H207-P234 CarbonylContact O-C 3.57Å; H207-P234 WeakPolarHBondContact O-CA 3.46Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å; P234-I238 HydrophobicContact CG-CB 3.83Å; P234-I238 HydrophobicContact CG-CD1 4.47Å; P234-I238 HydrophobicContact CG-CG2 3.73Å
235	D	90.3	Very high	93.1	Very high	55 Å²	55	55.2 Å²	55.2	29%	0.294	33%	0.326	S	S	.	.	S	Bend	trans	-144.3	-160.7	177.8	60.2	49.1	0	0	0	111.8	R206 A233 E237 I238	R206-D235 PolarHBondContact NE-O 3.38Å; A233-D235 PolarHBondContact O-N 3.38Å; D235-E237 WeakPolarHBondContact OD1-CA 3.4Å; D235-E237 PolarHBondContact OD1-N 3.09Å; D235-I238 PolarHBondContact OD1-N 3.46Å; D235-I238 WeakPolarHBondContact OD2-CD1 3.32Å
236	S	85	Confident	92.9	Very high	87 Å²	87	55.5 Å²	55.5	61%	0.608	32%	0.318	S	S	*	.	S	Bend	trans	-90.6	0.9	179.7	50.7	0	0	0	0	114.3	R261	S236-R261 VanDerWaalsContact C-NH2 3.28Å; S236-R261 PolarHBondContact O-NH1 3.46Å; S236-R261 VanDerWaalsContact O-NH1 3.15Å; S236-R261 PolarHBondContact O-NH2 2.87Å
237	E	85.1	Confident	92.9	Very high	161 Å²	161	52.9 Å²	52.9	75%	0.752	31%	0.306	S	S	*	.	S	Bend	trans	-121.2	-42.5	-177	-66.8	-173	177.6	0	0	111.3	D235 R261	D235-E237 WeakPolarHBondContact OD1-CA 3.4Å; D235-E237 PolarHBondContact OD1-N 3.09Å; E237-R261 VanDerWaalsContact C-NH1 3.3Å; E237-R261 PolarHBondContact O-NH1 3.19Å
238	I	90.4	Very high	93	Very high	89 Å²	89	53.1 Å²	53.1	46%	0.456	29%	0.288	S	S	.	.			trans	-82.7	131.8	-177.7	-57.5	179.3	0	0	0	110.5	P234 D235	P234-I238 HydrophobicContact CG-CB 3.83Å; P234-I238 HydrophobicContact CG-CD1 4.47Å; P234-I238 HydrophobicContact CG-CG2 3.73Å; D235-I238 PolarHBondContact OD1-N 3.46Å; D235-I238 WeakPolarHBondContact OD2-CD1 3.32Å
239	L	92.1	Very high	92.9	Very high	41 Å²	41	53 Å²	53	22%	0.215	29%	0.287	C	S	.	.			trans	-129.5	112.1	166	-170.9	80.5	0	0	0	108.4	I204 Y231 A233 P260 R261	I204-L239 HydrophobicContact CG2-CD1 3.71Å; Y231-L239 HydrophobicContact CD1-CD2 3.77Å; Y231-L239 HydrophobicContact CD1-CG 4.11Å; Y231-L239 HydrophobicContact CE1-CD2 4.46Å; Y231-L239 HydrophobicContact CG-CD2 4.26Å; Y231-L239 HydrophobicContact CG-CG 4.49Å; A233-L239 HydrophobicContact CB-CD1 4.21Å; L239-P260 HydrophobicContact CD2-CB 3.96Å; L239-P260 HydrophobicContact CD2-CG 3.9Å; L239-R261 HydrophobicContact CB-CG 4.37Å; L239-R261 HydrophobicContact CD1-CG 4.33Å; L239-R261 HydrophobicContact CD2-CG 3.74Å; L239-R261 HydrophobicContact CG-CG 4.38Å
240	E	93.7	Very high	92.7	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.332	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	177.9	-172.4	-166.8	154.3	0	0	109.9	R216 Y231 L232	R216-E240 IonicContact CZ-OE1 3.69Å; R216-E240 IonicContact CZ-OE2 3.24Å; R216-E240 IonicContact NH1-OE1 3.29Å; R216-E240 PolarHBondContact NH1-OE1 3.33Å; R216-E240 IonicContact NH1-OE2 3.09Å; R216-E240 IonicContact NH2-OE1 4Å; R216-E240 PolarHBondContact NH2-OE1 3.32Å; R216-E240 IonicContact NH2-OE2 2.82Å; R216-E240 PolarHBondContact NH2-OE2 3.24Å; Y231-E240 CarbonylContact C-O 3.56Å; Y231-E240 VanDerWaalsContact CA-O 3.24Å; Y231-E240 WeakPolarHBondContact CA-O 3.33Å; L232-E240 HydrophobicContact CB-CB 4.37Å; L232-E240 PolarHBondContact N-O 3.27Å; L232-E240 PolarHBondContact O-N 3.11Å
241	T	95.1	Very high	92.4	Very high	77 Å²	77	55.6 Å²	55.6	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.1	170.7	-51.8	0	0	0	0	109.4	Y231	Y231-T241 HydrophobicContact CD1-CG2 4.26Å; Y231-T241 HydrophobicContact CE1-CG2 3.73Å; Y231-T241 WeakPolarHBondContact CE1-OG1 2.96Å
242	V	93.8	Very high	92.2	Very high	35 Å²	35	57.3 Å²	57.3	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-43.9	175.1	-179.4	0	0	0	0	110.5	E220 L230 L232	E220-V242 HydrophobicContact CG-CG1 3.32Å; L230-V242 HydrophobicContact CB-CB 4.07Å; L230-V242 HydrophobicContact CD2-CB 3.92Å; L230-V242 HydrophobicContact CD2-CG1 3.83Å; L230-V242 HydrophobicContact CD2-CG2 4.2Å; L230-V242 HydrophobicContact CG-CB 3.88Å; L230-V242 HydrophobicContact CG-CG1 4.35Å; L230-V242 HydrophobicContact CG-CG2 4.12Å; L230-V242 WeakPolarHBondContact O-CB 3.23Å; L230-V242 PolarHBondContact O-N 2.74Å; L232-V242 HydrophobicContact CD1-CG2 3.56Å; L232-V242 HydrophobicContact CG-CG2 3.61Å
243	S	91.7	Very high	92	Very high	38 Å²	38	61.2 Å²	61.2	27%	0.266	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.2	174.4	60.6	0	0	0	0	110.2	L228 D229 L230	L228-S243 PolarHBondContact O-OG 2.88Å; D229-S243 CarbonylContact C-O 3.58Å; D229-S243 VanDerWaalsContact CA-O 3.28Å; D229-S243 WeakPolarHBondContact CA-O 3.37Å; L230-S243 WeakPolarHBondContact CB-OG 3.41Å; L230-S243 PolarHBondContact N-O 3.27Å; L230-S243 PolarHBondContact N-OG 2.93Å; L230-S243 PolarHBondContact O-N 3.32Å
244	G	89.2	Confident	92	Very high	35 Å²	35	61.5 Å²	61.5	36%	0.361	35%	0.353	S	S	.	.			trans	114.2	158.3	176.8	0	0	0	0	0	114.2	D229	D229-G244 WeakPolarHBondContact OD1-CA 3.04Å
245	E	90.2	Very high	92.1	Very high	170 Å²	170	65.8 Å²	65.8	79%	0.794	36%	0.363	S	S	*	.			trans	-96.2	177.7	172.2	-64.4	-173.1	169.6	0	0	110.7	Y231 P247	Y231-E245 PolarHBondContact OH-O 3.36Å; E245-P247 WeakPolarHBondContact O-CD 3.17Å; E245-P247 VanDerWaalsContact O-N 3.15Å
246	M	92.3	Very high	92.3	Very high	98 Å²	98	63.4 Å²	63.4	48%	0.483	35%	0.351	S	S	.	.			trans	-58.6	118.6	173.8	-175.8	69.3	61.8	0	0	109.6	F258	M246-F258 VanDerWaalsContact SD-O 3.38Å
247	P	95.2	Very high	92.8	Very high	1 Å²	1	60 Å²	60	1%	0.006	33%	0.326	C	S	.	.			trans	-75.9	154	-172.1	32.8	-37.1	0	0	0	111.5	S199 L202 E245 T257 F258 P260	S199-P247 WeakPolarHBondContact OG-CA 3.46Å; L202-P247 HydrophobicContact CD1-CB 3.71Å; L202-P247 HydrophobicContact CD1-CG 3.7Å; L202-P247 HydrophobicContact CD2-CB 3.79Å; L202-P247 HydrophobicContact CD2-CG 4.41Å; L202-P247 HydrophobicContact CG-CB 4.35Å; E245-P247 WeakPolarHBondContact O-CD 3.17Å; E245-P247 VanDerWaalsContact O-N 3.15Å; P247-T257 WeakPolarHBondContact O-CA 3.41Å; P247-F258 HydrophobicContact CB-CD1 4.32Å; P247-F258 HydrophobicContact CB-CE1 3.63Å; P247-F258 HydrophobicContact CB-CE2 4.35Å; P247-F258 HydrophobicContact CB-CZ 3.64Å; P247-F258 WeakPolarHBondContact CD-O 3.28Å; P247-F258 HydrophobicContact CG-CD1 4.21Å; P247-F258 HydrophobicContact CG-CD2 4.27Å; P247-F258 HydrophobicContact CG-CE1 3.88Å; P247-F258 HydrophobicContact CG-CE2 3.92Å; P247-F258 HydrophobicContact CG-CG 4.39Å; P247-F258 HydrophobicContact CG-CZ 3.71Å; P247-F258 VanDerWaalsContact CG-O 3.25Å; P247-F258 WeakPolarHBondContact CG-O 2.78Å; P247-F258 WeakPolarHBondContact O-CD1 3.13Å; P247-F258 PolarHBondContact O-N 3.38Å; P247-P260 HydrophobicContact CG-CG 4.18Å
248	W	95.6	Very high	93.2	Very high	64 Å²	64	52.3 Å²	52.3	24%	0.242	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.6	-179.5	59.4	-93	0	0	0	112.3	A197 T198 S199 D250 R255 L256 T257	A197-W248 WeakPolarHBondContact CB-O 3.14Å; T198-W248 HydrophobicContact CG2-CE3 4.34Å; T198-W248 HydrophobicContact CG2-CH2 3.79Å; T198-W248 HydrophobicContact CG2-CZ3 3.45Å; T198-W248 VanDerWaalsContact CG2-CZ3 3.45Å; T198-W248 PolarHBondContact N-O 3.28Å; S199-W248 VanDerWaalsContact CB-CD1 3.48Å; S199-W248 WeakPolarHBondContact CB-O 3.45Å; S199-W248 PolarHBondContact N-O 3.2Å; S199-W248 PolarHBondContact OG-N 3.32Å; S199-W248 VanDerWaalsContact OG-N 3.08Å; S199-W248 PolarHBondContact OG-O 2.96Å; W248-D250 WeakPolarHBondContact CZ3-OD1 3.39Å; W248-D250 WeakPolarHBondContact CZ3-OD2 3.22Å; W248-R255 HydrophobicContact CB-CG 4.22Å; W248-R255 HydrophobicContact CD2-CG 4.06Å; W248-R255 HydrophobicContact CE3-CG 3.81Å; W248-R255 HydrophobicContact CG-CG 4.23Å; W248-L256 CarbonylContact C-O 3.52Å; W248-L256 WeakPolarHBondContact CA-O 3.13Å; W248-L256 WeakPolarHBondContact CB-O 3.46Å; W248-T257 HydrophobicContact CB-CG2 4.14Å
249	Y	94.7	Very high	93.3	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.2	170.8	66	-85.9	0	0	0	110.7	T198 L256 F258 I264 M297	T198-Y249 WeakPolarHBondContact OG1-CA 3.4Å; Y249-L256 HydrophobicContact CD1-CB 4.47Å; Y249-L256 HydrophobicContact CE1-CB 4.02Å; Y249-L256 HydrophobicContact CE2-CB 4.16Å; Y249-L256 HydrophobicContact CE2-CD1 3.75Å; Y249-L256 HydrophobicContact CE2-CG 4.45Å; Y249-L256 PolarHBondContact N-O 3.3Å; Y249-L256 PolarHBondContact O-N 2.89Å; Y249-F258 AromaticContact CD1-CD1 3.81Å; Y249-F258 HydrophobicContact CD1-CD1 3.81Å; Y249-F258 AromaticContact CD1-CE1 4Å; Y249-F258 HydrophobicContact CD1-CE1 4Å; Y249-F258 HydrophobicContact CE1-CD1 4.15Å; Y249-I264 HydrophobicContact CE1-CB 4.49Å; Y249-I264 HydrophobicContact CE1-CG2 4.08Å; Y249-M297 HydrophobicContact CE1-CE 3.91Å; Y249-M297 WeakPolarHBondContact OH-CE 3.3Å
250	D	93.6	Very high	93.2	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.7	171.9	-64.3	-32.9	0	0	0	109.5	T198 W248 L254 R255	T198-D250 PolarHBondContact OG1-N 3.01Å; T198-D250 VanDerWaalsContact OG1-N 3.09Å; W248-D250 WeakPolarHBondContact CZ3-OD1 3.39Å; W248-D250 WeakPolarHBondContact CZ3-OD2 3.22Å; D250-L254 WeakPolarHBondContact CA-O 3.26Å; D250-R255 IonicContact OD1-NE 3.77Å
251	S	91.3	Very high	92.9	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	132.1	174	-173.9	0	0	0	0	109.8	G253 L254	S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.34Å; S251-L254 PolarHBondContact N-O 3.23Å; S251-L254 PolarHBondContact O-N 3.07Å
252	N	92.4	Very high	92.5	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.214	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.8	177.9	-61	-76.3	0	0	0	114.3	L254 Q272 V275 P303	N252-L254 VanDerWaalsContact C-N 3.27Å; N252-L254 PolarHBondContact O-N 3.21Å; N252-Q272 PolarHBondContact OD1-O 2.94Å; N252-Q272 VanDerWaalsContact OD1-O 3.14Å; N252-V275 HydrophobicContact CB-CG1 4.31Å; N252-V275 WeakPolarHBondContact ND2-CB 3.39Å; N252-V275 WeakPolarHBondContact ND2-CG1 3.49Å; N252-P303 HydrophobicContact CB-CG 4.2Å
253	G	92.2	Very high	91.9	Very high	83 Å²	83	51.8 Å²	51.8	86%	0.856	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	2.2	179.4	0	0	0	0	0	115.3	S251	S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.34Å
254	L	95	Very high	91.8	Very high	13 Å²	13	50 Å²	50	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146.9	-178.8	-55.6	178.9	0	0	0	111.4	D250 S251 N252 L256 L302 P303 T306 N331 L333	D250-L254 WeakPolarHBondContact CA-O 3.26Å; S251-L254 PolarHBondContact N-O 3.23Å; S251-L254 PolarHBondContact O-N 3.07Å; N252-L254 VanDerWaalsContact C-N 3.27Å; N252-L254 PolarHBondContact O-N 3.21Å; L254-L256 HydrophobicContact CB-CD2 4.14Å; L254-L256 HydrophobicContact CB-CG 4.42Å; L254-L302 HydrophobicContact CD1-CB 3.57Å; L254-P303 HydrophobicContact CD1-CG 3.92Å; L254-T306 HydrophobicContact CD2-CG2 4.17Å; L254-N331 WeakPolarHBondContact CA-OD1 3.44Å; L254-N331 HydrophobicContact CD2-CB 4.08Å; L254-L333 HydrophobicContact CD1-CD1 4.46Å
255	R	95.2	Very high	91.8	Very high	131 Å²	131	50 Å²	50	49%	0.494	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.3	171	179.6	170.2	-69	173.4	-0.1	109.8	W248 D250 N331	W248-R255 HydrophobicContact CB-CG 4.22Å; W248-R255 HydrophobicContact CD2-CG 4.06Å; W248-R255 HydrophobicContact CE3-CG 3.81Å; W248-R255 HydrophobicContact CG-CG 4.23Å; D250-R255 IonicContact OD1-NE 3.77Å; R255-N331 PolarHBondContact N-OD1 3.48Å; R255-N331 PolarHBondContact O-ND2 3.15Å
256	L	94.7	Very high	91.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.4	-174.1	-57.5	180	0	0	0	110.4	W248 Y249 L254 L302 N327	W248-L256 CarbonylContact C-O 3.52Å; W248-L256 WeakPolarHBondContact CA-O 3.13Å; W248-L256 WeakPolarHBondContact CB-O 3.46Å; Y249-L256 HydrophobicContact CD1-CB 4.47Å; Y249-L256 HydrophobicContact CE1-CB 4.02Å; Y249-L256 HydrophobicContact CE2-CB 4.16Å; Y249-L256 HydrophobicContact CE2-CD1 3.75Å; Y249-L256 HydrophobicContact CE2-CG 4.45Å; Y249-L256 PolarHBondContact N-O 3.3Å; Y249-L256 PolarHBondContact O-N 2.89Å; L254-L256 HydrophobicContact CB-CD2 4.14Å; L254-L256 HydrophobicContact CB-CG 4.42Å; L256-L302 HydrophobicContact CD2-CD1 3.43Å; L256-L302 VanDerWaalsContact CD2-CD1 3.43Å; L256-N327 HydrophobicContact CD2-CB 4.09Å
257	T	95.4	Very high	92	Very high	14 Å²	14	37.8 Å²	37.8	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	152.7	170	67	0	0	0	0	110.3	P247 W248 K323 N327 L330	P247-T257 WeakPolarHBondContact O-CA 3.41Å; W248-T257 HydrophobicContact CB-CG2 4.14Å; T257-K323 WeakPolarHBondContact O-CD 3.04Å; T257-N327 PolarHBondContact N-OD1 2.92Å; T257-N327 PolarHBondContact O-ND2 2.92Å; T257-N327 PolarHBondContact O-OD1 2.8Å; T257-N327 PolarHBondContact OG1-OD1 3.33Å; T257-L330 HydrophobicContact CG2-CD1 3.49Å; T257-L330 VanDerWaalsContact CG2-CD1 3.49Å
258	F	93.9	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.			trans	-149.3	152.7	176.4	67	-75.9	0	0	0	109.9	V195 A197 L202 M246 P247 Y249 D262 I264 M297	V195-F258 HydrophobicContact CG1-CE2 4.33Å; V195-F258 HydrophobicContact CG1-CZ 4.32Å; A197-F258 HydrophobicContact CB-CE1 3.87Å; A197-F258 HydrophobicContact CB-CZ 3.9Å; L202-F258 HydrophobicContact CD1-CE2 3.78Å; L202-F258 HydrophobicContact CD1-CZ 3.67Å; M246-F258 VanDerWaalsContact SD-O 3.38Å; P247-F258 HydrophobicContact CB-CD1 4.32Å; P247-F258 HydrophobicContact CB-CE1 3.63Å; P247-F258 HydrophobicContact CB-CE2 4.35Å; P247-F258 HydrophobicContact CB-CZ 3.64Å; P247-F258 WeakPolarHBondContact CD-O 3.28Å; P247-F258 HydrophobicContact CG-CD1 4.21Å; P247-F258 HydrophobicContact CG-CD2 4.27Å; P247-F258 HydrophobicContact CG-CE1 3.88Å; P247-F258 HydrophobicContact CG-CE2 3.92Å; P247-F258 HydrophobicContact CG-CG 4.39Å; P247-F258 HydrophobicContact CG-CZ 3.71Å; P247-F258 VanDerWaalsContact CG-O 3.25Å; P247-F258 WeakPolarHBondContact CG-O 2.78Å; P247-F258 WeakPolarHBondContact O-CD1 3.13Å; P247-F258 PolarHBondContact O-N 3.38Å; Y249-F258 AromaticContact CD1-CD1 3.81Å; Y249-F258 HydrophobicContact CD1-CD1 3.81Å; Y249-F258 AromaticContact CD1-CE1 4Å; Y249-F258 HydrophobicContact CD1-CE1 4Å; Y249-F258 HydrophobicContact CE1-CD1 4.15Å; F258-D262 HydrophobicContact CB-CB 4.35Å; F258-I264 HydrophobicContact CB-CG2 4.09Å; F258-I264 HydrophobicContact CD1-CG2 4.38Å; F258-I264 HydrophobicContact CD2-CG2 3.58Å; F258-I264 HydrophobicContact CE2-CD1 4.23Å; F258-I264 HydrophobicContact CE2-CG2 4.09Å; F258-I264 HydrophobicContact CG-CG2 3.77Å; F258-I264 HydrophobicContact CZ-CD1 4.26Å; F258-M297 HydrophobicContact CB-CE 4.42Å; F258-M297 HydrophobicContact CB-SD 4.01Å
259	S	91.4	Very high	91.8	Very high	32 Å²	32	37.1 Å²	37.1	22%	0.224	21%	0.206	C	C	.	.			trans	-75.1	144	163.9	175.1	0	0	0	0	109	R261 D262	S259-R261 PolarHBondContact O-N 3.18Å; S259-D262 VanDerWaalsContact CB-CG 3.49Å; S259-D262 VanDerWaalsContact CB-OD2 3.27Å; S259-D262 WeakPolarHBondContact CB-OD2 3.5Å; S259-D262 PolarHBondContact N-OD2 3.03Å; S259-D262 VanDerWaalsContact O-CB 3.3Å; S259-D262 WeakPolarHBondContact O-CB 3.34Å; S259-D262 PolarHBondContact O-N 3.01Å
260	P	90.6	Very high	91.9	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.032	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.7	176.1	-25	32	0	0	0	114.9	R130 L202 I204 Y231 L239 P247	R130-P260 PolarHBondContact NH1-O 3.45Å; L202-P260 HydrophobicContact CD1-CB 4.31Å; L202-P260 HydrophobicContact CD1-CG 4.41Å; I204-P260 HydrophobicContact CD1-CB 4.11Å; I204-P260 HydrophobicContact CG1-CB 3.9Å; Y231-P260 HydrophobicContact CD1-CG 3.82Å; Y231-P260 HydrophobicContact CD2-CB 4.2Å; Y231-P260 HydrophobicContact CD2-CG 3.87Å; Y231-P260 HydrophobicContact CE1-CG 3.51Å; Y231-P260 HydrophobicContact CE2-CB 4.32Å; Y231-P260 HydrophobicContact CE2-CG 3.6Å; Y231-P260 HydrophobicContact CG-CB 4.32Å; Y231-P260 HydrophobicContact CG-CG 3.97Å; Y231-P260 VanDerWaalsContact CZ-CG 3.41Å; L239-P260 HydrophobicContact CD2-CB 3.96Å; L239-P260 HydrophobicContact CD2-CG 3.9Å; P247-P260 HydrophobicContact CG-CG 4.18Å
261	R	87.9	Confident	92	Very high	113 Å²	113	33.3 Å²	33.3	43%	0.426	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-23.9	175.7	-39.8	-170.6	75.6	-158.2	-16.7	113.3	S236 E237 L239 S259	S236-R261 VanDerWaalsContact C-NH2 3.28Å; S236-R261 PolarHBondContact O-NH1 3.46Å; S236-R261 VanDerWaalsContact O-NH1 3.15Å; S236-R261 PolarHBondContact O-NH2 2.87Å; E237-R261 VanDerWaalsContact C-NH1 3.3Å; E237-R261 PolarHBondContact O-NH1 3.19Å; L239-R261 HydrophobicContact CB-CG 4.37Å; L239-R261 HydrophobicContact CD1-CG 4.33Å; L239-R261 HydrophobicContact CD2-CG 3.74Å; L239-R261 HydrophobicContact CG-CG 4.38Å; S259-R261 PolarHBondContact O-N 3.18Å
262	D	86.4	Confident	92.2	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.112	20%	0.204	C	C	.	.	S	Bend	trans	-64.9	148.7	-176.7	-64.5	-16.5	0	0	0	110	F258 S259 I264 L320	F258-D262 HydrophobicContact CB-CB 4.35Å; S259-D262 VanDerWaalsContact CB-CG 3.49Å; S259-D262 VanDerWaalsContact CB-OD2 3.27Å; S259-D262 WeakPolarHBondContact CB-OD2 3.5Å; S259-D262 PolarHBondContact N-OD2 3.03Å; S259-D262 VanDerWaalsContact O-CB 3.3Å; S259-D262 WeakPolarHBondContact O-CB 3.34Å; S259-D262 PolarHBondContact O-N 3.01Å; D262-I264 PolarHBondContact O-N 2.78Å; D262-L320 HydrophobicContact CB-CD2 4.36Å
263	F	82.2	Confident	92.4	Very high	131 Å²	131	40.1 Å²	40.1	58%	0.575	21%	0.213	S	C	*	.			trans	-74.2	123	174	178.6	-96	0	0	0	109.6
264	I	88	Confident	92.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	17%	0.173	C	C	.	.			trans	-116.9	150.7	168	71.7	173	0	0	0	109.6	R129 V195 Y249 F258 D262 V266 M297	R129-I264 HydrophobicContact CG-CD1 4.33Å; V195-I264 HydrophobicContact CG1-CD1 3.57Å; Y249-I264 HydrophobicContact CE1-CB 4.49Å; Y249-I264 HydrophobicContact CE1-CG2 4.08Å; F258-I264 HydrophobicContact CB-CG2 4.09Å; F258-I264 HydrophobicContact CD1-CG2 4.38Å; F258-I264 HydrophobicContact CD2-CG2 3.58Å; F258-I264 HydrophobicContact CE2-CD1 4.23Å; F258-I264 HydrophobicContact CE2-CG2 4.09Å; F258-I264 HydrophobicContact CG-CG2 3.77Å; F258-I264 HydrophobicContact CZ-CD1 4.26Å; D262-I264 PolarHBondContact O-N 2.78Å; I264-V266 PolarHBondContact O-N 2.88Å; I264-M297 HydrophobicContact CG2-CE 3.82Å
265	Q	89	Confident	92.7	Very high	33 Å²	33	35.6 Å²	35.6	15%	0.154	17%	0.17	C	C	.	.			trans	-64.1	133	-179.2	-69.7	-74.1	2.5	0	0	111.1	R129 N271	R129-Q265 VanDerWaalsContact CD-O 3.24Å; R129-Q265 WeakPolarHBondContact CD-O 3.47Å; Q265-N271 HydrophobicContact CB-CB 3.82Å; Q265-N271 HydrophobicContact CG-CB 4.3Å; Q265-N271 WeakPolarHBondContact CG-ND2 3.41Å
266	V	92.4	Very high	92.7	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	16%	0.161	C	C	.	.	S	Bend	trans	-74.7	-34.6	-166.5	178.3	0	0	0	0	112.3	R128 R129 I264 F417	R128-V266 HydrophobicContact CB-CG1 4.17Å; R128-V266 HydrophobicContact CG-CG1 3.5Å; R128-V266 VanDerWaalsContact CG-CG1 3.5Å; R129-V266 WeakPolarHBondContact CG-O 3.37Å; R129-V266 PolarHBondContact N-O 3.04Å; I264-V266 PolarHBondContact O-N 2.88Å; V266-F417 HydrophobicContact CB-CE1 3.6Å; V266-F417 HydrophobicContact CB-CZ 3.99Å; V266-F417 HydrophobicContact CG1-CD1 4.49Å; V266-F417 HydrophobicContact CG1-CE1 3.72Å; V266-F417 HydrophobicContact CG2-CE1 3.99Å; V266-F417 HydrophobicContact CG2-CZ 4.17Å
267	N	94.8	Very high	92.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-109.6	103.4	177	-174.7	-24.4	0	0	0	108.8	Y127 G269 V270 N271 M416	Y127-N267 HydrophobicContact CD2-CB 3.88Å; N267-G269 PolarHBondContact OD1-N 2.89Å; N267-V270 HydrophobicContact CB-CB 4.34Å; N267-V270 VanDerWaalsContact ND2-CG2 3.26Å; N267-V270 WeakPolarHBondContact ND2-CG2 3.46Å; N267-V270 PolarHBondContact OD1-N 2.7Å; N267-V270 VanDerWaalsContact OD1-N 3.16Å; N267-N271 WeakPolarHBondContact O-CB 3.44Å; N267-N271 PolarHBondContact O-N 3.34Å; N267-M416 HydrophobicContact CB-CG 4.19Å; N267-M416 VanDerWaalsContact CB-O 3.28Å; N267-M416 WeakPolarHBondContact CB-O 3.26Å; N267-M416 HydrophobicContact CB-SD 3.7Å; N267-M416 PolarHBondContact ND2-O 3.17Å
268	A	93.7	Very high	92.9	Very high	36 Å²	36	34.2 Å²	34.2	30%	0.298	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-42.9	-175.2	0	0	0	0	0	112.4	N271 Q272	A268-N271 PolarHBondContact O-N 2.93Å; A268-Q272 PolarHBondContact O-N 2.8Å
269	G	93.9	Very high	93	Very high	16 Å²	16	35 Å²	35	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-46.3	-176.4	0	0	0	0	0	112.5	N267 Q272 K273	N267-G269 PolarHBondContact OD1-N 2.89Å; G269-Q272 PolarHBondContact O-N 3.3Å; G269-K273 WeakPolarHBondContact O-CG 3.24Å; G269-K273 PolarHBondContact O-N 2.83Å
270	V	95.9	Very high	93.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-39.7	176.3	178.8	0	0	0	0	110.9	I120 D122 N267 Q272 K273 M274 M416	I120-V270 HydrophobicContact CG2-CG1 4.45Å; D122-V270 HydrophobicContact CB-CG2 3.61Å; N267-V270 HydrophobicContact CB-CB 4.34Å; N267-V270 VanDerWaalsContact ND2-CG2 3.26Å; N267-V270 WeakPolarHBondContact ND2-CG2 3.46Å; N267-V270 PolarHBondContact OD1-N 2.7Å; N267-V270 VanDerWaalsContact OD1-N 3.16Å; V270-Q272 PolarHBondContact O-N 3.47Å; V270-K273 PolarHBondContact O-N 2.99Å; V270-M274 VanDerWaalsContact O-CB 3.26Å; V270-M274 WeakPolarHBondContact O-CB 3.37Å; V270-M274 PolarHBondContact O-N 2.8Å; V270-M416 HydrophobicContact CB-CE 4.38Å; V270-M416 HydrophobicContact CB-SD 3.81Å; V270-M416 HydrophobicContact CG1-CB 4.31Å; V270-M416 HydrophobicContact CG1-CE 3.76Å; V270-M416 HydrophobicContact CG1-SD 3.77Å
271	N	95.5	Very high	93.4	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-43.4	176.5	170.1	-113.5	0	0	0	112.6	Q265 N267 A268 K273 M274 V275 N299	Q265-N271 HydrophobicContact CB-CB 3.82Å; Q265-N271 HydrophobicContact CG-CB 4.3Å; Q265-N271 WeakPolarHBondContact CG-ND2 3.41Å; N267-N271 WeakPolarHBondContact O-CB 3.44Å; N267-N271 PolarHBondContact O-N 3.34Å; A268-N271 PolarHBondContact O-N 2.93Å; N271-K273 PolarHBondContact O-N 3.1Å; N271-M274 WeakPolarHBondContact ND2-CE 3.41Å; N271-M274 PolarHBondContact O-N 3.28Å; N271-V275 VanDerWaalsContact O-CG2 3.3Å; N271-V275 WeakPolarHBondContact O-CG2 3.45Å; N271-V275 PolarHBondContact O-N 2.94Å; N271-N299 PolarHBondContact ND2-ND2 3.31Å; N271-N299 VanDerWaalsContact ND2-ND2 3.13Å; N271-N299 PolarHBondContact ND2-OD1 2.92Å; N271-N299 PolarHBondContact OD1-OD1 3.35Å
272	Q	95.3	Very high	93.7	Very high	98 Å²	98	33.8 Å²	33.8	46%	0.458	17%	0.169	S	C	.	.	H	α-helix	trans	-60.1	-47.6	176.7	-173	178	10.7	0	0	111.5	N252 A268 G269 V270 M274 V275 A276	N252-Q272 PolarHBondContact OD1-O 2.94Å; N252-Q272 VanDerWaalsContact OD1-O 3.14Å; A268-Q272 PolarHBondContact O-N 2.8Å; G269-Q272 PolarHBondContact O-N 3.3Å; V270-Q272 PolarHBondContact O-N 3.47Å; Q272-M274 PolarHBondContact O-N 3.1Å; Q272-V275 PolarHBondContact O-N 2.87Å; Q272-A276 PolarHBondContact O-N 2.93Å
273	K	96.7	Very high	94.1	Very high	93 Å²	93	36.1 Å²	36.1	40%	0.404	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-39.9	177.4	-67.9	174.7	179.4	168.6	0	112.5	I120 A121 D122 G269 V270 N271 R277	I120-K273 HydrophobicContact CG2-CB 3.57Å; I120-K273 HydrophobicContact CG2-CD 4.45Å; A121-K273 WeakPolarHBondContact O-CD 3.49Å; A121-K273 PolarHBondContact O-NZ 3.32Å; D122-K273 WeakPolarHBondContact OD2-CE 3.15Å; D122-K273 IonicContact OD2-NZ 2.95Å; D122-K273 PolarHBondContact OD2-NZ 3.22Å; G269-K273 WeakPolarHBondContact O-CG 3.24Å; G269-K273 PolarHBondContact O-N 2.83Å; V270-K273 PolarHBondContact O-N 2.99Å; N271-K273 PolarHBondContact O-N 3.1Å; K273-R277 VanDerWaalsContact O-CB 3.23Å; K273-R277 WeakPolarHBondContact O-CB 3.28Å; K273-R277 PolarHBondContact O-N 2.92Å
274	M	97	Very high	94.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46.5	175.9	176.6	-175	64.4	0	0	111.1	V270 N271 Q272 R277 A278 F300 V387 L414 M416 M426	V270-M274 VanDerWaalsContact O-CB 3.26Å; V270-M274 WeakPolarHBondContact O-CB 3.37Å; V270-M274 PolarHBondContact O-N 2.8Å; N271-M274 WeakPolarHBondContact ND2-CE 3.41Å; N271-M274 PolarHBondContact O-N 3.28Å; Q272-M274 PolarHBondContact O-N 3.1Å; M274-R277 PolarHBondContact O-N 3.3Å; M274-A278 WeakPolarHBondContact O-CB 3.37Å; M274-A278 PolarHBondContact O-N 2.89Å; M274-F300 HydrophobicContact CE-CE1 4.25Å; M274-F300 HydrophobicContact CE-CE2 4.24Å; M274-F300 HydrophobicContact CE-CZ 3.49Å; M274-F300 VanDerWaalsContact CE-CZ 3.49Å; M274-F300 HydrophobicContact CG-CE1 4.23Å; M274-F300 HydrophobicContact CG-CZ 4.1Å; M274-F300 HydrophobicContact SD-CZ 3.98Å; M274-V387 HydrophobicContact SD-CG1 3.73Å; M274-V387 HydrophobicContact SD-CG2 4.4Å; M274-L414 HydrophobicContact CG-CD1 3.96Å; M274-L414 HydrophobicContact CG-CD2 4.42Å; M274-L414 HydrophobicContact SD-CD1 3.5Å; M274-L414 VanDerWaalsContact SD-CD1 3.5Å; M274-M416 HydrophobicContact CE-CE 4.08Å; M274-M416 HydrophobicContact SD-CE 4Å; M274-M426 HydrophobicContact CG-SD 4.27Å
275	V	96.4	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-51.3	178	170.7	0	0	0	0	111.1	N252 N271 Q272 R277 A278 L279 N299 F300 P303	N252-V275 HydrophobicContact CB-CG1 4.31Å; N252-V275 WeakPolarHBondContact ND2-CB 3.39Å; N252-V275 WeakPolarHBondContact ND2-CG1 3.49Å; N271-V275 VanDerWaalsContact O-CG2 3.3Å; N271-V275 WeakPolarHBondContact O-CG2 3.45Å; N271-V275 PolarHBondContact O-N 2.94Å; Q272-V275 PolarHBondContact O-N 2.87Å; V275-R277 VanDerWaalsContact C-N 3.27Å; V275-R277 PolarHBondContact O-N 3.22Å; V275-A278 PolarHBondContact O-N 3.23Å; V275-L279 HydrophobicContact CG1-CD1 4.21Å; V275-L279 WeakPolarHBondContact O-CD1 3.36Å; V275-L279 PolarHBondContact O-N 2.82Å; V275-N299 WeakPolarHBondContact CG2-ND2 3.42Å; V275-F300 HydrophobicContact CB-CD1 4.21Å; V275-F300 HydrophobicContact CB-CE1 4.23Å; V275-F300 HydrophobicContact CG1-CD1 4.3Å; V275-F300 HydrophobicContact CG2-CD1 3.77Å; V275-F300 HydrophobicContact CG2-CE1 3.69Å; V275-F300 HydrophobicContact CG2-CG 4.46Å; V275-F300 HydrophobicContact CG2-CZ 4.3Å; V275-P303 HydrophobicContact CG1-CB 3.92Å; V275-P303 HydrophobicContact CG1-CG 3.72Å
276	A	96.1	Very high	95	Very high	37 Å²	37	36.8 Å²	36.8	31%	0.306	20%	0.196	S	C	.	.	H	α-helix	trans	-55.4	-44.4	177.6	0	0	0	0	0	111.6	Q272 L279 E280	Q272-A276 PolarHBondContact O-N 2.93Å; A276-L279 WeakPolarHBondContact O-CB 3.49Å; A276-L279 PolarHBondContact O-N 2.95Å; A276-E280 WeakPolarHBondContact O-CG 3.39Å; A276-E280 PolarHBondContact O-N 2.89Å
277	R	97.1	Very high	95	Very high	84 Å²	84	42.9 Å²	42.9	32%	0.317	22%	0.224	S	C	.	.	H	α-helix	trans	-69.7	-36	179.7	-166.7	61.2	127.1	-177.6	-4.4	113.5	E118 I120 K273 M274 V275 L279 E280 W281 M426	E118-R277 VanDerWaalsContact CD-NH2 3.26Å; E118-R277 IonicContact OE1-CZ 3.95Å; E118-R277 VanDerWaalsContact OE1-CZ 3.29Å; E118-R277 IonicContact OE1-NE 3Å; E118-R277 PolarHBondContact OE1-NE 3.35Å; E118-R277 IonicContact OE1-NH2 2.79Å; E118-R277 PolarHBondContact OE1-NH2 2.88Å; E118-R277 VanDerWaalsContact OE1-NH2 3.09Å; E118-R277 IonicContact OE2-CZ 2.66Å; E118-R277 VanDerWaalsContact OE2-CZ 3.24Å; E118-R277 IonicContact OE2-NE 3.53Å; E118-R277 PolarHBondContact OE2-NE 2.89Å; E118-R277 IonicContact OE2-NH2 2.63Å; E118-R277 PolarHBondContact OE2-NH2 3.29Å; I120-R277 HydrophobicContact CD1-CB 3.82Å; I120-R277 HydrophobicContact CD1-CG 3.81Å; K273-R277 VanDerWaalsContact O-CB 3.23Å; K273-R277 WeakPolarHBondContact O-CB 3.28Å; K273-R277 PolarHBondContact O-N 2.92Å; M274-R277 PolarHBondContact O-N 3.3Å; V275-R277 VanDerWaalsContact C-N 3.27Å; V275-R277 PolarHBondContact O-N 3.22Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-E280 WeakPolarHBondContact CD-OE2 3.35Å; R277-E280 IonicContact CZ-OE2 3.87Å; R277-E280 IonicContact NE-OE2 3.21Å; R277-E280 IonicContact NH1-OE2 2.63Å; R277-E280 PolarHBondContact NH1-OE2 3.27Å; R277-E280 PolarHBondContact O-N 3.12Å; R277-W281 HydrophobicContact CG-CD2 4.39Å; R277-W281 HydrophobicContact CG-CZ2 4.33Å; R277-W281 WeakPolarHBondContact O-CB 3.42Å; R277-W281 PolarHBondContact O-N 2.77Å; R277-M426 HydrophobicContact CB-CE 3.97Å; R277-M426 HydrophobicContact CG-CE 3.86Å
278	A	96.8	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-41.5	173.8	0	0	0	0	0	111.5	M274 V275 W281 L282 F300 L361 V385 M426	M274-A278 WeakPolarHBondContact O-CB 3.37Å; M274-A278 PolarHBondContact O-N 2.89Å; V275-A278 PolarHBondContact O-N 3.23Å; A278-W281 PolarHBondContact O-N 3.05Å; A278-L282 WeakPolarHBondContact O-CB 3.41Å; A278-L282 WeakPolarHBondContact O-CG 3.41Å; A278-L282 PolarHBondContact O-N 3.05Å; A278-F300 HydrophobicContact CB-CD1 3.95Å; A278-F300 HydrophobicContact CB-CE1 3.77Å; A278-L361 HydrophobicContact CB-CD1 3.86Å; A278-V385 HydrophobicContact CB-CG1 4.09Å; A278-M426 HydrophobicContact CB-SD 3.82Å
279	L	95.9	Very high	95.1	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-46.5	173.8	-92.8	62.2	0	0	0	111.4	V275 A276 R277 W281 L282 D283 P303 L304	V275-L279 HydrophobicContact CG1-CD1 4.21Å; V275-L279 WeakPolarHBondContact O-CD1 3.36Å; V275-L279 PolarHBondContact O-N 2.82Å; A276-L279 WeakPolarHBondContact O-CB 3.49Å; A276-L279 PolarHBondContact O-N 2.95Å; R277-L279 VanDerWaalsContact C-N 3.33Å; L279-W281 PolarHBondContact O-N 2.92Å; L279-L282 PolarHBondContact O-N 3.12Å; L279-D283 PolarHBondContact O-N 3.35Å; L279-P303 HydrophobicContact CD1-CB 4.1Å; L279-P303 HydrophobicContact CD2-CB 3.76Å; L279-L304 HydrophobicContact CD1-CD2 3.75Å; L279-L304 HydrophobicContact CD1-CG 3.95Å; L279-L304 HydrophobicContact CG-CD2 3.97Å
280	E	95	Very high	95.2	Very high	112 Å²	112	43.1 Å²	43.1	52%	0.523	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-43.2	175.7	-71.8	172.1	-167.1	0	0	112.6	A276 R277 D283	A276-E280 WeakPolarHBondContact O-CG 3.39Å; A276-E280 PolarHBondContact O-N 2.89Å; R277-E280 WeakPolarHBondContact CD-OE2 3.35Å; R277-E280 IonicContact CZ-OE2 3.87Å; R277-E280 IonicContact NE-OE2 3.21Å; R277-E280 IonicContact NH1-OE2 2.63Å; R277-E280 PolarHBondContact NH1-OE2 3.27Å; R277-E280 PolarHBondContact O-N 3.12Å; E280-D283 PolarHBondContact O-N 2.55Å
281	W	95.9	Very high	95.3	Very high	12 Å²	12	43.1 Å²	43.1	5%	0.045	21%	0.213	C	C	.	.	H	α-helix	trans	-70	-36.8	-179.9	-73.3	6.4	0	0	0	112.9	E118 R277 A278 L279 D283 R383 V385 R410 A412 M426 W428	E118-W281 HydrophobicContact CG-CZ2 4.29Å; E118-W281 VanDerWaalsContact OE1-CZ2 3.3Å; E118-W281 WeakPolarHBondContact OE1-CZ2 3.17Å; R277-W281 HydrophobicContact CG-CD2 4.39Å; R277-W281 HydrophobicContact CG-CZ2 4.33Å; R277-W281 WeakPolarHBondContact O-CB 3.42Å; R277-W281 PolarHBondContact O-N 2.77Å; A278-W281 PolarHBondContact O-N 3.05Å; L279-W281 PolarHBondContact O-N 2.92Å; W281-D283 PolarHBondContact O-N 2.97Å; W281-R383 PolarHBondContact O-NH1 3.17Å; W281-V385 HydrophobicContact CB-CG2 3.9Å; W281-V385 HydrophobicContact CE3-CG2 4.44Å; W281-R410 HydrophobicContact CD2-CB 4.33Å; W281-R410 HydrophobicContact CH2-CB 3.8Å; W281-R410 HydrophobicContact CZ2-CB 3.61Å; W281-R410 HydrophobicContact CZ2-CG 4.36Å; W281-R410 HydrophobicContact CZ3-CB 4.27Å; W281-A412 HydrophobicContact CH2-CB 3.47Å; W281-A412 VanDerWaalsContact CH2-CB 3.47Å; W281-A412 HydrophobicContact CZ2-CB 4Å; W281-A412 HydrophobicContact CZ3-CB 4.43Å; W281-M426 HydrophobicContact CD2-CE 4.11Å; W281-M426 HydrophobicContact CE3-CE 3.68Å; W281-M426 HydrophobicContact CE3-CG 4.03Å; W281-M426 HydrophobicContact CE3-SD 4.31Å; W281-M426 HydrophobicContact CH2-CE 4Å; W281-M426 HydrophobicContact CZ2-CE 4.34Å; W281-M426 HydrophobicContact CZ3-CB 4.05Å; W281-M426 HydrophobicContact CZ3-CE 3.65Å; W281-M426 HydrophobicContact CZ3-CG 3.67Å; W281-M426 WeakPolarHBondContact CZ3-O 3.45Å; W281-M426 HydrophobicContact CZ3-SD 4.35Å; W281-W428 HydrophobicContact CB-CB 4.15Å; W281-W428 HydrophobicContact CB-CD2 4.25Å; W281-W428 HydrophobicContact CB-CE3 4.35Å; W281-W428 HydrophobicContact CB-CG 4.15Å; W281-W428 HydrophobicContact CD2-CB 3.95Å; W281-W428 HydrophobicContact CE3-CB 3.46Å; W281-W428 VanDerWaalsContact CE3-CB 3.46Å; W281-W428 HydrophobicContact CG-CB 4.29Å; W281-W428 HydrophobicContact CG-CE3 4.27Å; W281-W428 HydrophobicContact CZ3-CB 4.02Å
282	L	94.5	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-24.2	173.4	-73.8	175.6	0	0	0	112.7	A278 L279 V284 L304 K359 L361 R383 V385	A278-L282 WeakPolarHBondContact O-CB 3.41Å; A278-L282 WeakPolarHBondContact O-CG 3.41Å; A278-L282 PolarHBondContact O-N 3.05Å; L279-L282 PolarHBondContact O-N 3.12Å; L282-V284 VanDerWaalsContact C-N 3.33Å; L282-V284 HydrophobicContact CB-CG2 3.78Å; L282-V284 PolarHBondContact O-N 2.85Å; L282-L304 HydrophobicContact CD1-CD2 3.78Å; L282-K359 HydrophobicContact CD2-CB 4.24Å; L282-K359 WeakPolarHBondContact O-CD 3.43Å; L282-K359 PolarHBondContact O-NZ 3.06Å; L282-L361 HydrophobicContact CD1-CB 4.11Å; L282-L361 HydrophobicContact CD1-CD1 3.88Å; L282-R383 HydrophobicContact CD2-CB 4.32Å; L282-R383 WeakPolarHBondContact O-CD 3.39Å; L282-V385 HydrophobicContact CD2-CB 3.97Å; L282-V385 HydrophobicContact CD2-CG2 3.6Å; L282-V385 HydrophobicContact CG-CB 4.11Å; L282-V385 HydrophobicContact CG-CG2 3.64Å
283	D	93.3	Very high	95.4	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.374	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	56.5	176.6	-176.6	24.7	0	0	0	110.5	L279 E280 W281 Q285 K359 R383	L279-D283 PolarHBondContact O-N 3.35Å; E280-D283 PolarHBondContact O-N 2.55Å; W281-D283 PolarHBondContact O-N 2.97Å; D283-Q285 PolarHBondContact O-N 3.03Å; D283-Q285 PolarHBondContact O-NE2 3.34Å; D283-Q285 VanDerWaalsContact O-NE2 3.16Å; D283-Q285 PolarHBondContact OD1-NE2 2.69Å; D283-K359 PolarHBondContact O-NZ 2.82Å; D283-R383 VanDerWaalsContact CB-CZ 3.47Å; D283-R383 IonicContact OD2-CZ 2.67Å; D283-R383 IonicContact OD2-NH1 3.29Å; D283-R383 IonicContact OD2-NH2 2.81Å; D283-R383 PolarHBondContact OD2-NH2 2.82Å
284	V	92.9	Very high	95.3	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.085	18%	0.182	C	C	.	.			trans	-69.1	121.5	-170.7	-179.1	0	0	0	0	109.6	L282 D288 V290 L304 Q307 A308	L282-V284 VanDerWaalsContact C-N 3.33Å; L282-V284 HydrophobicContact CB-CG2 3.78Å; L282-V284 PolarHBondContact O-N 2.85Å; V284-D288 WeakPolarHBondContact CA-OD2 3.32Å; V284-D288 HydrophobicContact CG1-CB 4.34Å; V284-V290 HydrophobicContact CG1-CG2 4.05Å; V284-V290 HydrophobicContact CG2-CG2 4.47Å; V284-L304 HydrophobicContact CG2-CD2 3.69Å; V284-Q307 HydrophobicContact CB-CB 4.11Å; V284-Q307 HydrophobicContact CG1-CB 3.84Å; V284-A308 HydrophobicContact CG1-CB 3.61Å
285	Q	93	Very high	95.2	Very high	72 Å²	72	36.7 Å²	36.7	34%	0.336	18%	0.184	S	C	.	.			trans	-92.9	154.7	176.2	-56.5	-55.3	-49.4	0	0	110.9	D283 E287 D288	D283-Q285 PolarHBondContact O-N 3.03Å; D283-Q285 PolarHBondContact O-NE2 3.34Å; D283-Q285 VanDerWaalsContact O-NE2 3.16Å; D283-Q285 PolarHBondContact OD1-NE2 2.69Å; Q285-E287 HydrophobicContact CB-CG 4.22Å; Q285-E287 PolarHBondContact O-N 2.86Å; Q285-D288 PolarHBondContact N-OD2 2.97Å; Q285-D288 WeakPolarHBondContact O-CB 3.4Å; Q285-D288 PolarHBondContact O-N 3.23Å
286	P	92.1	Very high	95	Very high	95 Å²	95	37.4 Å²	37.4	62%	0.617	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.2	178.1	-27.4	36.4	0	0	0	115.4	Q307 A309	P286-Q307 WeakPolarHBondContact CA-O 3.47Å; P286-A309 WeakPolarHBondContact O-CA 3.43Å; P286-A309 WeakPolarHBondContact O-CB 3.29Å; P286-A309 PolarHBondContact O-N 2.8Å
287	E	93	Very high	94.9	Very high	137 Å²	137	36.3 Å²	36.3	64%	0.64	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.6	177.5	59.9	-94.3	-138.3	0	0	114.4	Q285 A309	Q285-E287 HydrophobicContact CB-CG 4.22Å; Q285-E287 PolarHBondContact O-N 2.86Å; E287-A309 WeakPolarHBondContact O-CB 3.29Å
288	D	94.2	Very high	94.7	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.064	17%	0.165	C	C	.	.			trans	-67.4	140.7	-172	-80	-27.2	0	0	0	111.8	V284 Q285 V290 A309 S310 D358 K359	V284-D288 WeakPolarHBondContact CA-OD2 3.32Å; V284-D288 HydrophobicContact CG1-CB 4.34Å; Q285-D288 PolarHBondContact N-OD2 2.97Å; Q285-D288 WeakPolarHBondContact O-CB 3.4Å; Q285-D288 PolarHBondContact O-N 3.23Å; D288-V290 HydrophobicContact CB-CG2 4.16Å; D288-A309 WeakPolarHBondContact O-CB 3.44Å; D288-A309 PolarHBondContact O-N 2.94Å; D288-S310 PolarHBondContact O-N 2.88Å; D288-D358 HydrophobicContact CB-CB 4.38Å; D288-D358 WeakPolarHBondContact OD1-CB 3.35Å; D288-K359 HydrophobicContact CB-CG 4.43Å; D288-K359 IonicContact OD1-NZ 2.8Å; D288-K359 WeakPolarHBondContact OD2-CE 3.18Å; D288-K359 IonicContact OD2-NZ 3.02Å; D288-K359 PolarHBondContact OD2-NZ 3.35Å
289	R	95.8	Very high	94.6	Very high	47 Å²	47	33.2 Å²	33.2	18%	0.177	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.2	164.6	-173.7	178.9	170.1	120.7	-0.6	109.3	S310 W352 N355 G356 F357 D358	R289-S310 WeakPolarHBondContact CA-O 3.5Å; R289-W352 PolarHBondContact NH2-O 3.06Å; R289-N355 PolarHBondContact NH1-ND2 3.13Å; R289-N355 VanDerWaalsContact NH1-ND2 3.14Å; R289-G356 WeakPolarHBondContact CD-O 3.31Å; R289-G356 PolarHBondContact NE-O 3.33Å; R289-F357 HydrophobicContact CB-CD1 4.49Å; R289-F357 HydrophobicContact CG-CD1 3.68Å; R289-F357 HydrophobicContact CG-CE1 3.85Å; R289-F357 WeakPolarHBondContact O-CA 3.16Å; R289-D358 PolarHBondContact N-OD2 2.96Å; R289-D358 PolarHBondContact O-N 3.49Å
290	V	97.3	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.4	-172.8	-170.4	0	0	0	0	111.2	V284 D288 L304 A308 S310 V311 V312 K359	V284-V290 HydrophobicContact CG1-CG2 4.05Å; V284-V290 HydrophobicContact CG2-CG2 4.47Å; D288-V290 HydrophobicContact CB-CG2 4.16Å; V290-L304 HydrophobicContact CG1-CD1 3.86Å; V290-L304 HydrophobicContact CG1-CD2 4.25Å; V290-A308 HydrophobicContact CG2-CB 3.72Å; V290-S310 PolarHBondContact N-O 3.47Å; V290-V311 HydrophobicContact CB-CG1 4.42Å; V290-V311 HydrophobicContact CB-CG2 4.28Å; V290-V311 CarbonylContact O-C 3.55Å; V290-V311 WeakPolarHBondContact O-CA 3.44Å; V290-V312 PolarHBondContact O-N 2.82Å; V290-K359 WeakPolarHBondContact CA-O 3.48Å; V290-K359 HydrophobicContact CB-CB 4.49Å; V290-K359 HydrophobicContact CG1-CB 4.09Å; V290-K359 HydrophobicContact CG2-CB 4.13Å; V290-K359 HydrophobicContact CG2-CG 4.47Å
291	L	97.2	Very high	94.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.5	172.2	179.7	63.5	0	0	0	110	L293 V312 V314 W352 F357 K359 V360 L361 L379	L291-L293 HydrophobicContact CD1-CD2 3.81Å; L291-L293 HydrophobicContact CD1-CG 4.49Å; L291-L293 HydrophobicContact CD2-CD1 4.19Å; L291-L293 HydrophobicContact CD2-CD2 3.81Å; L291-L293 HydrophobicContact CD2-CG 4.05Å; L291-L293 HydrophobicContact CG-CD2 3.72Å; L291-L293 HydrophobicContact CG-CG 3.91Å; L291-V312 CarbonylContact C-O 3.55Å; L291-V312 WeakPolarHBondContact CA-O 3.39Å; L291-V312 HydrophobicContact CD1-CB 4.05Å; L291-V312 HydrophobicContact CD1-CG1 3.94Å; L291-V314 HydrophobicContact CD1-CG2 3.88Å; L291-W352 HydrophobicContact CD1-CE3 4.45Å; L291-W352 HydrophobicContact CD1-CH2 4.45Å; L291-W352 HydrophobicContact CD1-CZ3 3.88Å; L291-W352 HydrophobicContact CD2-CZ3 4.35Å; L291-F357 HydrophobicContact CB-CB 4.18Å; L291-F357 HydrophobicContact CB-CD1 3.5Å; L291-F357 HydrophobicContact CB-CD2 3.94Å; L291-F357 HydrophobicContact CB-CE1 3.75Å; L291-F357 HydrophobicContact CB-CE2 4.16Å; L291-F357 HydrophobicContact CB-CG 3.6Å; L291-F357 HydrophobicContact CB-CZ 4.07Å; L291-F357 HydrophobicContact CD1-CE1 4.18Å; L291-F357 HydrophobicContact CD1-CE2 4.05Å; L291-F357 HydrophobicContact CD1-CZ 3.81Å; L291-F357 HydrophobicContact CD2-CD2 3.83Å; L291-F357 HydrophobicContact CD2-CE2 3.89Å; L291-F357 HydrophobicContact CD2-CG 4.32Å; L291-F357 HydrophobicContact CD2-CZ 4.44Å; L291-F357 HydrophobicContact CG-CD2 4.37Å; L291-F357 HydrophobicContact CG-CE1 4.48Å; L291-F357 HydrophobicContact CG-CE2 4.27Å; L291-F357 HydrophobicContact CG-CZ 4.33Å; L291-K359 PolarHBondContact N-O 3.43Å; L291-V360 HydrophobicContact CB-CG2 4.09Å; L291-V360 HydrophobicContact CD2-CG2 4.22Å; L291-V360 CarbonylContact O-C 3.46Å; L291-V360 WeakPolarHBondContact O-CA 3.27Å; L291-L361 PolarHBondContact O-N 3.16Å; L291-L379 HydrophobicContact CD2-CD1 3.49Å; L291-L379 VanDerWaalsContact CD2-CD1 3.49Å
292	D	97.6	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.7	174	-175.8	7.1	0	0	0	109.3	C295 T301 L304 V312 G313 V314 L361	D292-C295 HydrophobicContact CB-CB 4.19Å; D292-C295 WeakPolarHBondContact OD2-CB 3.29Å; D292-T301 HydrophobicContact CB-CG2 4.23Å; D292-T301 WeakPolarHBondContact OD2-CA 3.49Å; D292-T301 WeakPolarHBondContact OD2-CB 3.35Å; D292-T301 PolarHBondContact OD2-N 3.18Å; D292-T301 PolarHBondContact OD2-OG1 3.09Å; D292-L304 HydrophobicContact CB-CD1 4.41Å; D292-V312 PolarHBondContact N-O 3.3Å; D292-G313 CarbonylContact O-C 3.44Å; D292-G313 WeakPolarHBondContact O-CA 3.25Å; D292-V314 PolarHBondContact O-N 3.16Å; D292-L361 WeakPolarHBondContact CA-O 3.3Å; D292-L361 VanDerWaalsContact OD1-CD2 3.29Å; D292-L361 WeakPolarHBondContact OD1-CD2 3.25Å
293	L	95.9	Very high	95	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.1	-177.2	-59.3	175.9	0	0	0	110.7	L291 C295 V314 L343 V360 L361 L362 D363 V372 I376	L291-L293 HydrophobicContact CD1-CD2 3.81Å; L291-L293 HydrophobicContact CD1-CG 4.49Å; L291-L293 HydrophobicContact CD2-CD1 4.19Å; L291-L293 HydrophobicContact CD2-CD2 3.81Å; L291-L293 HydrophobicContact CD2-CG 4.05Å; L291-L293 HydrophobicContact CG-CD2 3.72Å; L291-L293 HydrophobicContact CG-CG 3.91Å; L293-C295 VanDerWaalsContact C-N 3.29Å; L293-V314 HydrophobicContact CD2-CB 3.95Å; L293-V314 HydrophobicContact CD2-CG2 4.04Å; L293-L343 HydrophobicContact CB-CD1 4.48Å; L293-L343 HydrophobicContact CD2-CD2 3.84Å; L293-V360 HydrophobicContact CD1-CG1 4.26Å; L293-L361 PolarHBondContact N-O 3.35Å; L293-L362 HydrophobicContact CB-CB 3.99Å; L293-L362 WeakPolarHBondContact O-CA 3.29Å; L293-D363 PolarHBondContact O-N 2.9Å; L293-V372 HydrophobicContact CD1-CG1 3.61Å; L293-I376 HydrophobicContact CD1-CD1 3.82Å; L293-I376 HydrophobicContact CD1-CG1 3.79Å
294	F	94.8	Very high	95.2	Very high	53 Å²	53	23.6 Å²	23.6	23%	0.232	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	42.2	-170.4	-50.7	-87.2	0	0	0	111	G296 V314 L343 D363 P364 A369 V372	F294-G296 PolarHBondContact O-N 2.82Å; F294-G296 VanDerWaalsContact O-N 3.15Å; F294-V314 WeakPolarHBondContact CA-O 3.37Å; F294-V314 PolarHBondContact N-O 2.8Å; F294-L343 HydrophobicContact CD1-CD1 3.53Å; F294-L343 HydrophobicContact CD2-CD1 3.84Å; F294-L343 HydrophobicContact CE1-CB 3.95Å; F294-L343 HydrophobicContact CE1-CD1 3.51Å; F294-L343 HydrophobicContact CE1-CG 4.37Å; F294-L343 HydrophobicContact CE2-CD1 3.81Å; F294-L343 HydrophobicContact CG-CD1 3.7Å; F294-L343 HydrophobicContact CZ-CB 3.82Å; F294-L343 HydrophobicContact CZ-CD1 3.65Å; F294-L343 HydrophobicContact CZ-CG 4.36Å; F294-D363 WeakPolarHBondContact CB-O 3.45Å; F294-P364 HydrophobicContact CD1-CB 4.42Å; F294-P364 HydrophobicContact CD2-CB 3.76Å; F294-P364 HydrophobicContact CE1-CB 4.42Å; F294-P364 HydrophobicContact CE2-CB 3.78Å; F294-P364 HydrophobicContact CG-CB 4.1Å; F294-P364 HydrophobicContact CZ-CB 4.11Å; F294-A369 HydrophobicContact CE2-CB 4.04Å; F294-A369 HydrophobicContact CZ-CB 4.46Å; F294-V372 HydrophobicContact CE2-CG2 4.15Å; F294-V372 HydrophobicContact CZ-CG2 3.97Å
295	C	94.6	Very high	95.4	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.041	12%	0.121	C	C	.	.			trans	-71.5	-11.5	-166.3	66.8	0	0	0	0	114.6	D292 L293 M297 G298 T301 G313 V314	D292-C295 HydrophobicContact CB-CB 4.19Å; D292-C295 WeakPolarHBondContact OD2-CB 3.29Å; L293-C295 VanDerWaalsContact C-N 3.29Å; C295-M297 PolarHBondContact O-N 3.05Å; C295-G298 PolarHBondContact O-N 3.49Å; C295-T301 VanDerWaalsContact CB-OG1 3.28Å; C295-T301 WeakPolarHBondContact CB-OG1 3.23Å; C295-G313 VanDerWaalsContact SG-C 3.57Å; C295-V314 PolarHBondContact N-O 2.68Å; C295-V314 VanDerWaalsContact N-O 3.16Å; C295-V314 PolarHBondContact SG-N 3.48Å; C295-V314 VanDerWaalsContact SG-N 3.39Å
296	G	92.5	Very high	95.5	Very high	15 Å²	15	23.6 Å²	23.6	16%	0.155	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-131.8	-172.1	0	0	0	0	0	111.3	F294 G298 E315	F294-G296 PolarHBondContact O-N 2.82Å; F294-G296 VanDerWaalsContact O-N 3.15Å; G296-G298 PolarHBondContact O-N 3.49Å; G296-E315 VanDerWaalsContact CA-OE2 3.27Å; G296-E315 WeakPolarHBondContact CA-OE2 3.16Å; G296-E315 PolarHBondContact N-OE2 3.16Å
297	M	93	Very high	95.6	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.069	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	17.6	175	64.2	176	178.4	0	0	113.9	Y249 F258 I264 C295 L320 K323 G324	Y249-M297 HydrophobicContact CE1-CE 3.91Å; Y249-M297 WeakPolarHBondContact OH-CE 3.3Å; F258-M297 HydrophobicContact CB-CE 4.42Å; F258-M297 HydrophobicContact CB-SD 4.01Å; I264-M297 HydrophobicContact CG2-CE 3.82Å; C295-M297 PolarHBondContact O-N 3.05Å; M297-L320 WeakPolarHBondContact CA-O 3.3Å; M297-L320 HydrophobicContact CB-CD2 4.4Å; M297-K323 HydrophobicContact CB-CB 4.04Å; M297-K323 HydrophobicContact CB-CG 3.92Å; M297-K323 HydrophobicContact SD-CG 4.21Å; M297-G324 WeakPolarHBondContact O-CA 3.35Å
298	G	94	Very high	95.8	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	37.2	173.1	0	0	0	0	0	115.7	C295 G296 F300 T301 L302	C295-G298 PolarHBondContact O-N 3.49Å; G296-G298 PolarHBondContact O-N 3.49Å; G298-F300 VanDerWaalsContact C-N 3.31Å; G298-F300 PolarHBondContact O-N 3.25Å; G298-T301 WeakPolarHBondContact CA-OG1 3.42Å; G298-L302 WeakPolarHBondContact O-CG 3.3Å; G298-L302 PolarHBondContact O-N 3.36Å
299	N	94.4	Very high	95.8	Very high	18 Å²	18	18.7 Å²	18.7	10%	0.096	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-42.4	-179.3	178.3	64.9	0	0	0	112.6	N271 V275 P303	N271-N299 PolarHBondContact ND2-ND2 3.31Å; N271-N299 VanDerWaalsContact ND2-ND2 3.13Å; N271-N299 PolarHBondContact ND2-OD1 2.92Å; N271-N299 PolarHBondContact OD1-OD1 3.35Å; V275-N299 WeakPolarHBondContact CG2-ND2 3.42Å; N299-P303 WeakPolarHBondContact O-CD 3.29Å
300	F	96.8	Very high	95.8	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-37.3	173.8	-59.9	-85.5	0	0	0	111.8	M274 V275 A278 G298 L302 P303 L304 L361 D363 V387	M274-F300 HydrophobicContact CE-CE1 4.25Å; M274-F300 HydrophobicContact CE-CE2 4.24Å; M274-F300 HydrophobicContact CE-CZ 3.49Å; M274-F300 VanDerWaalsContact CE-CZ 3.49Å; M274-F300 HydrophobicContact CG-CE1 4.23Å; M274-F300 HydrophobicContact CG-CZ 4.1Å; M274-F300 HydrophobicContact SD-CZ 3.98Å; V275-F300 HydrophobicContact CB-CD1 4.21Å; V275-F300 HydrophobicContact CB-CE1 4.23Å; V275-F300 HydrophobicContact CG1-CD1 4.3Å; V275-F300 HydrophobicContact CG2-CD1 3.77Å; V275-F300 HydrophobicContact CG2-CE1 3.69Å; V275-F300 HydrophobicContact CG2-CG 4.46Å; V275-F300 HydrophobicContact CG2-CZ 4.3Å; A278-F300 HydrophobicContact CB-CD1 3.95Å; A278-F300 HydrophobicContact CB-CE1 3.77Å; G298-F300 VanDerWaalsContact C-N 3.31Å; G298-F300 PolarHBondContact O-N 3.25Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.46Å; F300-P303 VanDerWaalsContact O-CD 3.23Å; F300-P303 WeakPolarHBondContact O-CD 3.33Å; F300-L304 HydrophobicContact CB-CD1 4.25Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 VanDerWaalsContact O-CG 3.23Å; F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 2.9Å; F300-L361 HydrophobicContact CB-CD1 3.95Å; F300-L361 HydrophobicContact CB-CD2 3.86Å; F300-L361 HydrophobicContact CD1-CD1 3.73Å; F300-L361 HydrophobicContact CD1-CD2 4.26Å; F300-L361 HydrophobicContact CD2-CD2 3.54Å; F300-L361 HydrophobicContact CE1-CD1 4.31Å; F300-L361 HydrophobicContact CE2-CD2 4.09Å; F300-L361 HydrophobicContact CG-CD1 3.83Å; F300-L361 HydrophobicContact CG-CD2 3.64Å; F300-L361 HydrophobicContact CG-CG 4.43Å; F300-D363 HydrophobicContact CE2-CB 4.14Å; F300-V387 HydrophobicContact CE1-CG2 4.5Å; F300-V387 HydrophobicContact CE2-CG2 4.42Å; F300-V387 HydrophobicContact CZ-CG2 3.86Å
301	T	97.5	Very high	95.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53.1	-44.7	-176	-29.2	0	0	0	0	113.3	D292 C295 G298 L304 A305 V311 V336 F338	D292-T301 HydrophobicContact CB-CG2 4.23Å; D292-T301 WeakPolarHBondContact OD2-CA 3.49Å; D292-T301 WeakPolarHBondContact OD2-CB 3.35Å; D292-T301 PolarHBondContact OD2-N 3.18Å; D292-T301 PolarHBondContact OD2-OG1 3.09Å; C295-T301 VanDerWaalsContact CB-OG1 3.28Å; C295-T301 WeakPolarHBondContact CB-OG1 3.23Å; G298-T301 WeakPolarHBondContact CA-OG1 3.42Å; T301-L304 PolarHBondContact O-N 2.93Å; T301-A305 PolarHBondContact O-N 3.48Å; T301-A305 VanDerWaalsContact O-N 3.07Å; T301-V311 HydrophobicContact CG2-CB 4.44Å; T301-V311 HydrophobicContact CG2-CG1 3.48Å; T301-V311 VanDerWaalsContact CG2-CG1 3.48Å; T301-V336 HydrophobicContact CG2-CG2 3.65Å; T301-F338 HydrophobicContact CG2-CE1 3.84Å; T301-F338 HydrophobicContact CG2-CZ 3.79Å
302	L	97.3	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73.1	-45.1	-175.7	-56.1	172.7	0	0	0	111.3	L254 L256 G298 F300 L304 A305 N327 A328 L333 V336 F338	L254-L302 HydrophobicContact CD1-CB 3.57Å; L256-L302 HydrophobicContact CD2-CD1 3.43Å; L256-L302 VanDerWaalsContact CD2-CD1 3.43Å; G298-L302 WeakPolarHBondContact O-CG 3.3Å; G298-L302 PolarHBondContact O-N 3.36Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 3.46Å; L302-L304 VanDerWaalsContact C-N 3.35Å; L302-L304 PolarHBondContact O-N 2.98Å; L302-A305 PolarHBondContact O-N 3.3Å; L302-N327 HydrophobicContact CD1-CB 3.53Å; L302-A328 HydrophobicContact CD2-CB 3.76Å; L302-L333 HydrophobicContact CB-CD1 3.83Å; L302-L333 HydrophobicContact CD2-CD1 3.99Å; L302-L333 HydrophobicContact CG-CD1 4.5Å; L302-L333 WeakPolarHBondContact O-CD1 3.3Å; L302-V336 HydrophobicContact CD2-CG1 4.36Å; L302-F338 HydrophobicContact CD2-CE2 3.84Å; L302-F338 HydrophobicContact CD2-CZ 3.71Å; L302-F338 HydrophobicContact CG-CZ 4.24Å
303	P	97.1	Very high	95.8	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-57.2	-42	168.5	-29.2	35.7	0	0	0	113.8	N252 L254 V275 L279 N299 F300 A305 T306	N252-P303 HydrophobicContact CB-CG 4.2Å; L254-P303 HydrophobicContact CD1-CG 3.92Å; V275-P303 HydrophobicContact CG1-CB 3.92Å; V275-P303 HydrophobicContact CG1-CG 3.72Å; L279-P303 HydrophobicContact CD1-CB 4.1Å; L279-P303 HydrophobicContact CD2-CB 3.76Å; N299-P303 WeakPolarHBondContact O-CD 3.29Å; F300-P303 VanDerWaalsContact O-CD 3.23Å; F300-P303 WeakPolarHBondContact O-CD 3.33Å; P303-A305 VanDerWaalsContact C-N 3.26Å; P303-A305 PolarHBondContact O-N 3.33Å; P303-T306 WeakPolarHBondContact O-CB 3.45Å; P303-T306 PolarHBondContact O-N 3.2Å; P303-T306 PolarHBondContact O-OG1 3.1Å
304	L	97.5	Very high	95.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-38.4	177.1	-72.7	166.8	0	0	0	111.8	L279 L282 V284 V290 D292 F300 T301 L302 T306 Q307 A308 V311	L279-L304 HydrophobicContact CD1-CD2 3.75Å; L279-L304 HydrophobicContact CD1-CG 3.95Å; L279-L304 HydrophobicContact CG-CD2 3.97Å; L282-L304 HydrophobicContact CD1-CD2 3.78Å; V284-L304 HydrophobicContact CG2-CD2 3.69Å; V290-L304 HydrophobicContact CG1-CD1 3.86Å; V290-L304 HydrophobicContact CG1-CD2 4.25Å; D292-L304 HydrophobicContact CB-CD1 4.41Å; F300-L304 HydrophobicContact CB-CD1 4.25Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 VanDerWaalsContact O-CG 3.23Å; F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 2.9Å; T301-L304 PolarHBondContact O-N 2.93Å; L302-L304 VanDerWaalsContact C-N 3.35Å; L302-L304 PolarHBondContact O-N 2.98Å; L304-T306 PolarHBondContact O-N 2.99Å; L304-Q307 PolarHBondContact O-N 2.77Å; L304-A308 WeakPolarHBondContact O-CB 3.45Å; L304-A308 PolarHBondContact O-N 3.33Å; L304-V311 HydrophobicContact CB-CG1 4.21Å; L304-V311 HydrophobicContact CB-CG2 3.93Å
305	A	97.2	Very high	95.8	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.033	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-15.2	178.4	0	0	0	0	0	113.2	T301 L302 P303 Q307 V311 L333 N335 V336	T301-A305 PolarHBondContact O-N 3.48Å; T301-A305 VanDerWaalsContact O-N 3.07Å; L302-A305 PolarHBondContact O-N 3.3Å; P303-A305 VanDerWaalsContact C-N 3.26Å; P303-A305 PolarHBondContact O-N 3.33Å; A305-Q307 PolarHBondContact O-N 2.94Å; A305-V311 HydrophobicContact CB-CB 4.36Å; A305-V311 HydrophobicContact CB-CG2 3.93Å; A305-L333 HydrophobicContact CB-CB 4.49Å; A305-L333 HydrophobicContact CB-CD1 4.29Å; A305-L333 HydrophobicContact CB-CD2 4.49Å; A305-N335 PolarHBondContact O-ND2 2.99Å; A305-N335 PolarHBondContact O-OD1 2.88Å; A305-V336 HydrophobicContact CB-CB 3.88Å; A305-V336 HydrophobicContact CB-CG1 4.35Å
306	T	96	Very high	95.7	Very high	81 Å²	81	18.7 Å²	18.7	50%	0.497	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.6	171.9	71.3	0	0	0	0	113.3	L254 P303 L304 L333	L254-T306 HydrophobicContact CD2-CG2 4.17Å; P303-T306 WeakPolarHBondContact O-CB 3.45Å; P303-T306 PolarHBondContact O-N 3.2Å; P303-T306 PolarHBondContact O-OG1 3.1Å; L304-T306 PolarHBondContact O-N 2.99Å; T306-L333 HydrophobicContact CG2-CD2 4.04Å
307	Q	95.1	Very high	95.6	Very high	86 Å²	86	21.2 Å²	21.2	40%	0.402	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-36.7	-174.5	-64.1	-178.9	-13.3	0	0	113.5	V284 P286 L304 A305	V284-Q307 HydrophobicContact CB-CB 4.11Å; V284-Q307 HydrophobicContact CG1-CB 3.84Å; P286-Q307 WeakPolarHBondContact CA-O 3.47Å; L304-Q307 PolarHBondContact O-N 2.77Å; A305-Q307 PolarHBondContact O-N 2.94Å
308	A	95.8	Very high	95.6	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	15%	0.152	C	C	.	.	S	Bend	trans	-81.5	159.3	-173.4	0	0	0	0	0	114.1	V284 V290 L304 S310 V311 N335	V284-A308 HydrophobicContact CG1-CB 3.61Å; V290-A308 HydrophobicContact CG2-CB 3.72Å; L304-A308 WeakPolarHBondContact O-CB 3.45Å; L304-A308 PolarHBondContact O-N 3.33Å; A308-S310 VanDerWaalsContact C-N 3.35Å; A308-V311 HydrophobicContact CB-CG2 3.7Å; A308-N335 PolarHBondContact O-ND2 3.43Å
309	A	94.3	Very high	95.5	Very high	48 Å²	48	25.9 Å²	25.9	40%	0.397	17%	0.172	S	C	.	.	S	Bend	trans	-62.2	-45.2	168.5	0	0	0	0	0	111.2	P286 E287 D288 N335	P286-A309 WeakPolarHBondContact O-CA 3.43Å; P286-A309 WeakPolarHBondContact O-CB 3.29Å; P286-A309 PolarHBondContact O-N 2.8Å; E287-A309 WeakPolarHBondContact O-CB 3.29Å; D288-A309 WeakPolarHBondContact O-CB 3.44Å; D288-A309 PolarHBondContact O-N 2.94Å; A309-N335 WeakPolarHBondContact O-CB 3.23Å
310	S	96.3	Very high	95.4	Very high	38 Å²	38	26.3 Å²	26.3	27%	0.266	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	147	175.7	59.1	0	0	0	0	112	D288 R289 V290 A308 N335	D288-S310 PolarHBondContact O-N 2.88Å; R289-S310 WeakPolarHBondContact CA-O 3.5Å; V290-S310 PolarHBondContact N-O 3.47Å; A308-S310 VanDerWaalsContact C-N 3.35Å; S310-N335 CarbonylContact C-O 3.57Å; S310-N335 VanDerWaalsContact CA-O 3.24Å; S310-N335 WeakPolarHBondContact CA-O 3.46Å
311	V	97.7	Very high	95.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.6	178.6	-171.9	0	0	0	0	110.5	V290 T301 L304 A305 A308 N335 V336 T337	V290-V311 HydrophobicContact CB-CG1 4.42Å; V290-V311 HydrophobicContact CB-CG2 4.28Å; V290-V311 CarbonylContact O-C 3.55Å; V290-V311 WeakPolarHBondContact O-CA 3.44Å; T301-V311 HydrophobicContact CG2-CB 4.44Å; T301-V311 HydrophobicContact CG2-CG1 3.48Å; T301-V311 VanDerWaalsContact CG2-CG1 3.48Å; L304-V311 HydrophobicContact CB-CG1 4.21Å; L304-V311 HydrophobicContact CB-CG2 3.93Å; A305-V311 HydrophobicContact CB-CB 4.36Å; A305-V311 HydrophobicContact CB-CG2 3.93Å; A308-V311 HydrophobicContact CB-CG2 3.7Å; V311-N335 PolarHBondContact N-O 3.22Å; V311-V336 HydrophobicContact CB-CB 4.44Å; V311-V336 HydrophobicContact CB-CG2 4.18Å; V311-V336 CarbonylContact O-C 3.51Å; V311-V336 WeakPolarHBondContact O-CA 3.24Å; V311-T337 PolarHBondContact O-N 3.13Å
312	V	97.3	Very high	95.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116	173	178.9	0	0	0	0	108.6	V290 L291 D292 V314 T337 Y339 W352 F357	V290-V312 PolarHBondContact O-N 2.82Å; L291-V312 CarbonylContact C-O 3.55Å; L291-V312 WeakPolarHBondContact CA-O 3.39Å; L291-V312 HydrophobicContact CD1-CB 4.05Å; L291-V312 HydrophobicContact CD1-CG1 3.94Å; D292-V312 PolarHBondContact N-O 3.3Å; V312-V314 HydrophobicContact CG1-CG2 4.11Å; V312-T337 CarbonylContact C-O 3.42Å; V312-T337 WeakPolarHBondContact CA-O 3.41Å; V312-Y339 HydrophobicContact CG1-CD2 3.68Å; V312-Y339 HydrophobicContact CG1-CE2 3.9Å; V312-W352 HydrophobicContact CG1-CD2 4.27Å; V312-W352 HydrophobicContact CG1-CE3 4.16Å; V312-W352 HydrophobicContact CG1-CG 4.46Å; V312-F357 HydrophobicContact CB-CE1 3.75Å; V312-F357 HydrophobicContact CB-CZ 3.86Å; V312-F357 HydrophobicContact CG1-CZ 4.27Å; V312-F357 HydrophobicContact CG2-CE1 3.68Å; V312-F357 HydrophobicContact CG2-CZ 3.84Å
313	G	97.1	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.6	171.1	0	0	0	0	0	110.9	D292 C295 T337 F338 Y339	D292-G313 CarbonylContact O-C 3.44Å; D292-G313 WeakPolarHBondContact O-CA 3.25Å; C295-G313 VanDerWaalsContact SG-C 3.57Å; G313-T337 PolarHBondContact N-O 2.72Å; G313-F338 CarbonylContact O-C 3.56Å; G313-F338 VanDerWaalsContact O-CA 3.28Å; G313-F338 WeakPolarHBondContact O-CA 3.24Å; G313-Y339 PolarHBondContact O-N 2.8Å
314	V	96.2	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.1	177.8	-171.1	0	0	0	0	110.6	L291 D292 L293 F294 C295 V312 Y339 E341 L343 W352	L291-V314 HydrophobicContact CD1-CG2 3.88Å; D292-V314 PolarHBondContact O-N 3.16Å; L293-V314 HydrophobicContact CD2-CB 3.95Å; L293-V314 HydrophobicContact CD2-CG2 4.04Å; F294-V314 WeakPolarHBondContact CA-O 3.37Å; F294-V314 PolarHBondContact N-O 2.8Å; C295-V314 PolarHBondContact N-O 2.68Å; C295-V314 VanDerWaalsContact N-O 3.16Å; C295-V314 PolarHBondContact SG-N 3.48Å; C295-V314 VanDerWaalsContact SG-N 3.39Å; V312-V314 HydrophobicContact CG1-CG2 4.11Å; V314-Y339 WeakPolarHBondContact CA-O 3.39Å; V314-E341 HydrophobicContact CG1-CB 3.59Å; V314-E341 HydrophobicContact CG1-CG 3.85Å; V314-L343 HydrophobicContact CB-CD2 4.27Å; V314-L343 HydrophobicContact CG1-CD1 4.44Å; V314-L343 HydrophobicContact CG1-CD2 3.67Å; V314-L343 HydrophobicContact CG1-CG 4.12Å; V314-W352 HydrophobicContact CG2-CH2 3.93Å; V314-W352 HydrophobicContact CG2-CZ2 3.91Å; V314-W352 HydrophobicContact CG2-CZ3 4.44Å
315	E	94.8	Very high	95	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145	-175.6	172.1	53	-119.7	0	0	111.4	G296 V317 L320 V321 Y339 H340 E341	G296-E315 VanDerWaalsContact CA-OE2 3.27Å; G296-E315 WeakPolarHBondContact CA-OE2 3.16Å; G296-E315 PolarHBondContact N-OE2 3.16Å; E315-V317 HydrophobicContact CG-CB 4.42Å; E315-V317 PolarHBondContact OE1-N 2.86Å; E315-L320 HydrophobicContact CG-CB 3.9Å; E315-L320 HydrophobicContact CG-CD1 4.32Å; E315-V321 HydrophobicContact CB-CG2 3.75Å; E315-V321 HydrophobicContact CG-CG2 4.17Å; E315-Y339 PolarHBondContact N-O 2.91Å; E315-Y339 VanDerWaalsContact N-O 3.08Å; E315-H340 VanDerWaalsContact O-CA 3.31Å; E315-H340 WeakPolarHBondContact O-CA 3.49Å; E315-H340 PolarHBondContact O-CD2 3.14Å; E315-E341 PolarHBondContact O-N 2.86Å
316	G	92	Very high	94.9	Very high	39 Å²	39	39.6 Å²	39.6	40%	0.402	24%	0.235	S	C	.	.	S	Bend	trans	-87.2	-6.8	-178.5	0	0	0	0	0	114.6	H340	G316-H340 PolarHBondContact O-CD2 3.37Å; G316-H340 PolarHBondContact O-NE2 3.06Å; G316-H340 VanDerWaalsContact O-NE2 3.14Å
317	V	90.9	Very high	94.9	Very high	68 Å²	68	35.7 Å²	35.7	41%	0.412	21%	0.211	S	C	.	.			trans	-108.2	113.5	177.3	-176.7	0	0	0	0	111	E315 A319 L320 V321	E315-V317 HydrophobicContact CG-CB 4.42Å; E315-V317 PolarHBondContact OE1-N 2.86Å; V317-A319 VanDerWaalsContact C-N 3.31Å; V317-A319 HydrophobicContact CG1-CB 4.33Å; V317-A319 PolarHBondContact O-N 2.67Å; V317-L320 HydrophobicContact CB-CB 4.28Å; V317-L320 HydrophobicContact CB-CD1 3.95Å; V317-L320 HydrophobicContact CB-CG 3.97Å; V317-L320 HydrophobicContact CG1-CD1 4.34Å; V317-L320 HydrophobicContact CG1-CG 3.97Å; V317-L320 HydrophobicContact CG2-CD1 4.32Å; V317-L320 PolarHBondContact O-N 2.98Å; V317-V321 PolarHBondContact O-N 2.98Å
318	P	92.7	Very high	95	Very high	62 Å²	62	31.9 Å²	31.9	40%	0.403	19%	0.194	S	C	.	.	H	α-helix	trans	-55.9	-40.9	-177.7	-25.6	32.1	0	0	0	114.2	L320 V321 E322 H340	P318-L320 VanDerWaalsContact C-N 3.26Å; P318-L320 PolarHBondContact O-N 3.37Å; P318-V321 WeakPolarHBondContact O-CB 3.49Å; P318-V321 PolarHBondContact O-N 2.71Å; P318-V321 VanDerWaalsContact O-N 3.17Å; P318-E322 WeakPolarHBondContact O-CG 3.29Å; P318-E322 PolarHBondContact O-N 3.12Å; P318-H340 WeakPolarHBondContact CD-NE2 3.34Å
319	A	91.2	Very high	95.1	Very high	52 Å²	52	39.7 Å²	39.7	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-33.9	180	0	0	0	0	0	112.8	V317 K323	V317-A319 VanDerWaalsContact C-N 3.31Å; V317-A319 HydrophobicContact CG1-CB 4.33Å; V317-A319 PolarHBondContact O-N 2.67Å; A319-K323 WeakPolarHBondContact O-CB 3.48Å; A319-K323 PolarHBondContact O-N 2.95Å
320	L	93.3	Very high	95.1	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-74.7	-37.3	177	-63.3	-176.8	0	0	0	111.4	D262 M297 E315 V317 P318 K323 G324	D262-L320 HydrophobicContact CB-CD2 4.36Å; M297-L320 WeakPolarHBondContact CA-O 3.3Å; M297-L320 HydrophobicContact CB-CD2 4.4Å; E315-L320 HydrophobicContact CG-CB 3.9Å; E315-L320 HydrophobicContact CG-CD1 4.32Å; V317-L320 HydrophobicContact CB-CB 4.28Å; V317-L320 HydrophobicContact CB-CD1 3.95Å; V317-L320 HydrophobicContact CB-CG 3.97Å; V317-L320 HydrophobicContact CG1-CD1 4.34Å; V317-L320 HydrophobicContact CG1-CG 3.97Å; V317-L320 HydrophobicContact CG2-CD1 4.32Å; V317-L320 PolarHBondContact O-N 2.98Å; P318-L320 VanDerWaalsContact C-N 3.26Å; P318-L320 PolarHBondContact O-N 3.37Å; L320-K323 PolarHBondContact O-N 3.02Å; L320-G324 PolarHBondContact O-N 3.4Å
321	V	95.2	Very high	95.1	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-50.7	172.4	168.9	0	0	0	0	110.8	E315 V317 P318 K323 G324 Q325 F338 H340	E315-V321 HydrophobicContact CB-CG2 3.75Å; E315-V321 HydrophobicContact CG-CG2 4.17Å; V317-V321 PolarHBondContact O-N 2.98Å; P318-V321 WeakPolarHBondContact O-CB 3.49Å; P318-V321 PolarHBondContact O-N 2.71Å; P318-V321 VanDerWaalsContact O-N 3.17Å; V321-K323 VanDerWaalsContact C-N 3.29Å; V321-K323 PolarHBondContact O-N 2.98Å; V321-G324 PolarHBondContact O-N 3.15Å; V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 3.11Å; V321-F338 HydrophobicContact CG1-CB 3.86Å; V321-H340 HydrophobicContact CG2-CB 4.13Å
322	E	94.9	Very high	95	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-59.7	-40.7	177.1	-71.5	175.5	-160.2	0	0	111.7	P318 Q325 Q326	P318-E322 WeakPolarHBondContact O-CG 3.29Å; P318-E322 PolarHBondContact O-N 3.12Å; E322-Q325 PolarHBondContact O-N 3.14Å; E322-Q326 PolarHBondContact O-N 3.47Å
323	K	94.2	Very high	95	Very high	19 Å²	19	45.7 Å²	45.7	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-42.5	176.2	-171	57.7	59.3	-178.7	0	112.1	T257 M297 A319 L320 V321 Q325 Q326 N327	T257-K323 WeakPolarHBondContact O-CD 3.04Å; M297-K323 HydrophobicContact CB-CB 4.04Å; M297-K323 HydrophobicContact CB-CG 3.92Å; M297-K323 HydrophobicContact SD-CG 4.21Å; A319-K323 WeakPolarHBondContact O-CB 3.48Å; A319-K323 PolarHBondContact O-N 2.95Å; L320-K323 PolarHBondContact O-N 3.02Å; V321-K323 VanDerWaalsContact C-N 3.29Å; V321-K323 PolarHBondContact O-N 2.98Å; K323-Q325 VanDerWaalsContact C-N 3.35Å; K323-Q325 PolarHBondContact O-N 3.43Å; K323-Q326 WeakPolarHBondContact O-CB 3.47Å; K323-Q326 PolarHBondContact O-N 3.42Å; K323-N327 WeakPolarHBondContact O-CB 3.29Å; K323-N327 PolarHBondContact O-N 3.43Å
324	G	95.2	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-44.8	174.4	0	0	0	0	0	112	M297 L320 V321 Q326 N327 A328 F338	M297-G324 WeakPolarHBondContact O-CA 3.35Å; L320-G324 PolarHBondContact O-N 3.4Å; V321-G324 PolarHBondContact O-N 3.15Å; G324-Q326 PolarHBondContact O-N 2.86Å; G324-N327 PolarHBondContact O-N 3.05Å; G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.34Å; G324-F338 VanDerWaalsContact C-CE2 3.47Å; G324-F338 WeakPolarHBondContact O-CE2 3.3Å
325	Q	96.9	Very high	94.9	Very high	71 Å²	71	56.9 Å²	56.9	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-39.3	175	-66.4	173.5	-2	0	0	112.7	V321 E322 K323 A328 R329 F338	V321-Q325 WeakPolarHBondContact O-CG 3.38Å; V321-Q325 PolarHBondContact O-N 3.11Å; E322-Q325 PolarHBondContact O-N 3.14Å; K323-Q325 VanDerWaalsContact C-N 3.35Å; K323-Q325 PolarHBondContact O-N 3.43Å; Q325-A328 PolarHBondContact O-N 3.32Å; Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.26Å; Q325-R329 VanDerWaalsContact O-N 3.12Å; Q325-R329 PolarHBondContact O-NH1 2.82Å; Q325-F338 HydrophobicContact CG-CB 3.98Å; Q325-F338 HydrophobicContact CG-CD2 4.01Å; Q325-F338 HydrophobicContact CG-CG 4.34Å; Q325-F338 PolarHBondContact NE2-O 3.31Å
326	Q	95.7	Very high	95	Very high	67 Å²	67	56.6 Å²	56.6	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-46.9	174.8	-175.9	-179	9.3	0	0	111	E322 K323 G324 A328 R329 L330	E322-Q326 PolarHBondContact O-N 3.47Å; K323-Q326 WeakPolarHBondContact O-CB 3.47Å; K323-Q326 PolarHBondContact O-N 3.42Å; G324-Q326 PolarHBondContact O-N 2.86Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; Q326-A328 PolarHBondContact O-N 3.34Å; Q326-R329 PolarHBondContact O-N 2.89Å; Q326-L330 HydrophobicContact CG-CD1 4.07Å; Q326-L330 WeakPolarHBondContact O-CG 3.17Å; Q326-L330 PolarHBondContact O-N 3.06Å
327	N	96.7	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-36.4	178.3	-75	-26.1	0	0	0	112.1	L256 T257 L302 K323 G324 L330 N331	L256-N327 HydrophobicContact CD2-CB 4.09Å; T257-N327 PolarHBondContact N-OD1 2.92Å; T257-N327 PolarHBondContact O-ND2 2.92Å; T257-N327 PolarHBondContact O-OD1 2.8Å; T257-N327 PolarHBondContact OG1-OD1 3.33Å; L302-N327 HydrophobicContact CD1-CB 3.53Å; K323-N327 WeakPolarHBondContact O-CB 3.29Å; K323-N327 PolarHBondContact O-N 3.43Å; G324-N327 PolarHBondContact O-N 3.05Å; N327-L330 PolarHBondContact O-N 3.1Å; N327-N331 PolarHBondContact O-N 2.91Å; N327-N331 PolarHBondContact O-ND2 3.3Å
328	A	97.1	Very high	95.6	Very high	5 Å²	5	54.9 Å²	54.9	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-49.7	171.6	0	0	0	0	0	111.7	L302 G324 Q325 Q326 L330 N331 G332 L333 V336 F338	L302-A328 HydrophobicContact CD2-CB 3.76Å; G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.34Å; Q325-A328 PolarHBondContact O-N 3.32Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; Q326-A328 PolarHBondContact O-N 3.34Å; A328-L330 PolarHBondContact O-N 3.38Å; A328-N331 CarbonylContact O-C 3.54Å; A328-N331 PolarHBondContact O-N 3.06Å; A328-G332 PolarHBondContact O-N 2.87Å; A328-G332 VanDerWaalsContact O-N 3.1Å; A328-L333 HydrophobicContact CB-CB 4.32Å; A328-L333 PolarHBondContact O-N 3.3Å; A328-V336 HydrophobicContact CB-CG1 3.49Å; A328-V336 VanDerWaalsContact CB-CG1 3.49Å; A328-F338 HydrophobicContact CB-CE2 4.37Å
329	R	96.7	Very high	95.7	Very high	171 Å²	171	55.8 Å²	55.8	65%	0.645	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-43.1	176.6	-71.6	-173.2	-65.5	-89.2	2.5	112.5	Q325 Q326 N331 G332	Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.26Å; Q325-R329 VanDerWaalsContact O-N 3.12Å; Q325-R329 PolarHBondContact O-NH1 2.82Å; Q326-R329 PolarHBondContact O-N 2.89Å; R329-N331 PolarHBondContact O-N 3.15Å; R329-G332 PolarHBondContact O-N 3.24Å
330	L	95.6	Very high	95.9	Very high	102 Å²	102	58 Å²	58	53%	0.534	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-30.6	179.1	-74.8	170.8	0	0	0	113	T257 Q326 N327 A328	T257-L330 HydrophobicContact CG2-CD1 3.49Å; T257-L330 VanDerWaalsContact CG2-CD1 3.49Å; Q326-L330 HydrophobicContact CG-CD1 4.07Å; Q326-L330 WeakPolarHBondContact O-CG 3.17Å; Q326-L330 PolarHBondContact O-N 3.06Å; N327-L330 PolarHBondContact O-N 3.1Å; A328-L330 PolarHBondContact O-N 3.38Å
331	N	96.7	Very high	95.9	Very high	41 Å²	41	58.2 Å²	58.2	22%	0.219	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.8	178.6	-67.2	-86.2	0	0	0	113.2	L254 R255 N327 A328 R329 L333	L254-N331 WeakPolarHBondContact CA-OD1 3.44Å; L254-N331 HydrophobicContact CD2-CB 4.08Å; R255-N331 PolarHBondContact N-OD1 3.48Å; R255-N331 PolarHBondContact O-ND2 3.15Å; N327-N331 PolarHBondContact O-N 2.91Å; N327-N331 PolarHBondContact O-ND2 3.3Å; A328-N331 CarbonylContact O-C 3.54Å; A328-N331 PolarHBondContact O-N 3.06Å; R329-N331 PolarHBondContact O-N 3.15Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 HydrophobicContact CB-CD1 4.17Å; N331-L333 HydrophobicContact CB-CG 4.1Å; N331-L333 PolarHBondContact O-N 3.34Å
332	G	95.8	Very high	95.6	Very high	54 Å²	54	61.2 Å²	61.2	56%	0.557	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	20	178	0	0	0	0	0	115.1	A328 R329 Q334	A328-G332 PolarHBondContact O-N 2.87Å; A328-G332 VanDerWaalsContact O-N 3.1Å; R329-G332 PolarHBondContact O-N 3.24Å; G332-Q334 PolarHBondContact O-N 3.28Å
333	L	96.6	Very high	95.3	Very high	24 Å²	24	55.7 Å²	55.7	13%	0.126	28%	0.279	C	S	.	.			trans	-86.4	102.4	-177.6	-56.2	174.3	0	0	0	110	L254 L302 A305 T306 A328 N331 V336	L254-L333 HydrophobicContact CD1-CD1 4.46Å; L302-L333 HydrophobicContact CB-CD1 3.83Å; L302-L333 HydrophobicContact CD2-CD1 3.99Å; L302-L333 HydrophobicContact CG-CD1 4.5Å; L302-L333 WeakPolarHBondContact O-CD1 3.3Å; A305-L333 HydrophobicContact CB-CB 4.49Å; A305-L333 HydrophobicContact CB-CD1 4.29Å; A305-L333 HydrophobicContact CB-CD2 4.49Å; T306-L333 HydrophobicContact CG2-CD2 4.04Å; A328-L333 HydrophobicContact CB-CB 4.32Å; A328-L333 PolarHBondContact O-N 3.3Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 HydrophobicContact CB-CD1 4.17Å; N331-L333 HydrophobicContact CB-CG 4.1Å; N331-L333 PolarHBondContact O-N 3.34Å; L333-V336 HydrophobicContact CB-CG1 3.94Å
334	Q	95	Very high	94.6	Very high	189 Å²	189	63 Å²	63	88%	0.883	31%	0.314	S	S	*	.			trans	-96.4	-13	-176.6	-59.6	179.8	18.8	0	0	113.3	G332	G332-Q334 PolarHBondContact O-N 3.28Å
335	N	96.6	Very high	94.1	Very high	46 Å²	46	69 Å²	69	25%	0.246	34%	0.342	C	S	.	.	S	Bend	trans	-95.9	16.6	-176.7	63.3	-32.3	0	0	0	113.3	A305 A308 A309 S310 V311	A305-N335 PolarHBondContact O-ND2 2.99Å; A305-N335 PolarHBondContact O-OD1 2.88Å; A308-N335 PolarHBondContact O-ND2 3.43Å; A309-N335 WeakPolarHBondContact O-CB 3.23Å; S310-N335 CarbonylContact C-O 3.57Å; S310-N335 VanDerWaalsContact CA-O 3.24Å; S310-N335 WeakPolarHBondContact CA-O 3.46Å; V311-N335 PolarHBondContact N-O 3.22Å
336	V	97.2	Very high	93.5	Very high	17 Å²	17	68.6 Å²	68.6	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136	179.1	60.6	0	0	0	0	111.2	T301 L302 A305 V311 A328 L333 F338	T301-V336 HydrophobicContact CG2-CG2 3.65Å; L302-V336 HydrophobicContact CD2-CG1 4.36Å; A305-V336 HydrophobicContact CB-CB 3.88Å; A305-V336 HydrophobicContact CB-CG1 4.35Å; V311-V336 HydrophobicContact CB-CB 4.44Å; V311-V336 HydrophobicContact CB-CG2 4.18Å; V311-V336 CarbonylContact O-C 3.51Å; V311-V336 WeakPolarHBondContact O-CA 3.24Å; A328-V336 HydrophobicContact CB-CG1 3.49Å; A328-V336 VanDerWaalsContact CB-CG1 3.49Å; L333-V336 HydrophobicContact CB-CG1 3.94Å; V336-F338 HydrophobicContact CG1-CE2 4.32Å; V336-F338 HydrophobicContact CG2-CD2 4.11Å; V336-F338 HydrophobicContact CG2-CE2 3.6Å; V336-F338 HydrophobicContact CG2-CZ 4.09Å
337	T	96.6	Very high	92.9	Very high	65 Å²	65	65.7 Å²	65.7	40%	0.399	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.7	174.3	-52	0	0	0	0	109.7	V311 V312 G313 Y339	V311-T337 PolarHBondContact O-N 3.13Å; V312-T337 CarbonylContact C-O 3.42Å; V312-T337 WeakPolarHBondContact CA-O 3.41Å; G313-T337 PolarHBondContact N-O 2.72Å; T337-Y339 HydrophobicContact CG2-CD2 4.16Å; T337-Y339 HydrophobicContact CG2-CE1 4.39Å; T337-Y339 HydrophobicContact CG2-CE2 3.46Å; T337-Y339 VanDerWaalsContact CG2-CE2 3.46Å
338	F	97.2	Very high	92.2	Very high	7 Å²	7	66.6 Å²	66.6	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.4	174.9	-68.4	-96.2	0	0	0	110.7	T301 L302 G313 V321 G324 Q325 A328 V336	T301-F338 HydrophobicContact CG2-CE1 3.84Å; T301-F338 HydrophobicContact CG2-CZ 3.79Å; L302-F338 HydrophobicContact CD2-CE2 3.84Å; L302-F338 HydrophobicContact CD2-CZ 3.71Å; L302-F338 HydrophobicContact CG-CZ 4.24Å; G313-F338 CarbonylContact O-C 3.56Å; G313-F338 VanDerWaalsContact O-CA 3.28Å; G313-F338 WeakPolarHBondContact O-CA 3.24Å; V321-F338 HydrophobicContact CG1-CB 3.86Å; G324-F338 VanDerWaalsContact C-CE2 3.47Å; G324-F338 WeakPolarHBondContact O-CE2 3.3Å; Q325-F338 HydrophobicContact CG-CB 3.98Å; Q325-F338 HydrophobicContact CG-CD2 4.01Å; Q325-F338 HydrophobicContact CG-CG 4.34Å; Q325-F338 PolarHBondContact NE2-O 3.31Å; A328-F338 HydrophobicContact CB-CE2 4.37Å; V336-F338 HydrophobicContact CG1-CE2 4.32Å; V336-F338 HydrophobicContact CG2-CD2 4.11Å; V336-F338 HydrophobicContact CG2-CE2 3.6Å; V336-F338 HydrophobicContact CG2-CZ 4.09Å
339	Y	96	Very high	91.6	Very high	81 Å²	81	74 Å²	74	32%	0.318	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.8	175.8	-67.3	-83.3	0	0	0	111.4	V312 G313 V314 E315 T337 W352	V312-Y339 HydrophobicContact CG1-CD2 3.68Å; V312-Y339 HydrophobicContact CG1-CE2 3.9Å; G313-Y339 PolarHBondContact O-N 2.8Å; V314-Y339 WeakPolarHBondContact CA-O 3.39Å; E315-Y339 PolarHBondContact N-O 2.91Å; E315-Y339 VanDerWaalsContact N-O 3.08Å; T337-Y339 HydrophobicContact CG2-CD2 4.16Å; T337-Y339 HydrophobicContact CG2-CE1 4.39Å; T337-Y339 HydrophobicContact CG2-CE2 3.46Å; T337-Y339 VanDerWaalsContact CG2-CE2 3.46Å; Y339-W352 AromaticContact CD1-CD1 3.7Å; Y339-W352 HydrophobicContact CD2-CB 4.3Å; Y339-W352 AromaticContact CD2-CD1 3.56Å; Y339-W352 HydrophobicContact CD2-CD2 4.48Å; Y339-W352 AromaticContact CD2-CG 3.89Å; Y339-W352 HydrophobicContact CD2-CG 3.89Å; Y339-W352 AromaticContact CD2-NE1 3.97Å; Y339-W352 AromaticContact CE1-CD1 3.73Å; Y339-W352 HydrophobicContact CE2-CB 3.6Å; Y339-W352 AromaticContact CE2-CD1 3.57Å; Y339-W352 AromaticContact CE2-CG 3.68Å; Y339-W352 HydrophobicContact CE2-CG 3.68Å; Y339-W352 AromaticContact CG-CD1 3.63Å; Y339-W352 HydrophobicContact CG-CG 4.39Å; Y339-W352 AromaticContact CG-NE1 3.78Å; Y339-W352 AromaticContact CZ-CD1 3.66Å
340	H	95.6	Very high	91.1	Very high	97 Å²	97	68.7 Å²	68.7	45%	0.449	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.5	168.8	171.9	-113.2	0	0	0	109.1	E315 G316 P318 V321	E315-H340 VanDerWaalsContact O-CA 3.31Å; E315-H340 WeakPolarHBondContact O-CA 3.49Å; E315-H340 PolarHBondContact O-CD2 3.14Å; G316-H340 PolarHBondContact O-CD2 3.37Å; G316-H340 PolarHBondContact O-NE2 3.06Å; G316-H340 VanDerWaalsContact O-NE2 3.14Å; P318-H340 WeakPolarHBondContact CD-NE2 3.34Å; V321-H340 HydrophobicContact CG2-CB 4.13Å
341	E	92.2	Very high	90.7	Very high	33 Å²	33	68 Å²	68	15%	0.154	35%	0.35	C	S	.	.			trans	-141.3	149	-176.5	-60.3	-73.4	-179.6	0	0	111.1	V314 E315 L343 V347 Q350 W352	V314-E341 HydrophobicContact CG1-CB 3.59Å; V314-E341 HydrophobicContact CG1-CG 3.85Å; E315-E341 PolarHBondContact O-N 2.86Å; E341-L343 PolarHBondContact O-N 3Å; E341-V347 HydrophobicContact CB-CG1 4.03Å; E341-Q350 VanDerWaalsContact CD-NE2 3.31Å; E341-Q350 VanDerWaalsContact OE1-CD 3.3Å; E341-Q350 PolarHBondContact OE1-NE2 3.45Å; E341-Q350 PolarHBondContact OE2-NE2 2.92Å; E341-W352 HydrophobicContact CG-CZ2 4.27Å; E341-W352 PolarHBondContact OE1-NE1 2.91Å
342	N	89.2	Confident	90.3	Very high	72 Å²	72	66.6 Å²	66.6	39%	0.385	34%	0.341	S	S	.	.			trans	-80.4	102.1	168.3	-176.3	7.1	0	0	0	109.6	E344 E345	N342-E344 PolarHBondContact O-N 3.25Å; N342-E344 VanDerWaalsContact O-N 3.12Å; N342-E344 WeakPolarHBondContact OD1-CB 3.24Å; N342-E344 PolarHBondContact OD1-N 3.5Å; N342-E344 VanDerWaalsContact OD1-N 3.13Å; N342-E345 HydrophobicContact CB-CG 4.31Å; N342-E345 PolarHBondContact ND2-OE1 3.5Å; N342-E345 WeakPolarHBondContact O-CB 3.37Å; N342-E345 PolarHBondContact O-N 3.41Å
343	L	87.9	Confident	89.9	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.4	-179.9	-70.5	169.9	0	0	0	113.8	L293 F294 V314 E341 E345 V347 V372	L293-L343 HydrophobicContact CB-CD1 4.48Å; L293-L343 HydrophobicContact CD2-CD2 3.84Å; F294-L343 HydrophobicContact CD1-CD1 3.53Å; F294-L343 HydrophobicContact CD2-CD1 3.84Å; F294-L343 HydrophobicContact CE1-CB 3.95Å; F294-L343 HydrophobicContact CE1-CD1 3.51Å; F294-L343 HydrophobicContact CE1-CG 4.37Å; F294-L343 HydrophobicContact CE2-CD1 3.81Å; F294-L343 HydrophobicContact CG-CD1 3.7Å; F294-L343 HydrophobicContact CZ-CB 3.82Å; F294-L343 HydrophobicContact CZ-CD1 3.65Å; F294-L343 HydrophobicContact CZ-CG 4.36Å; V314-L343 HydrophobicContact CB-CD2 4.27Å; V314-L343 HydrophobicContact CG1-CD1 4.44Å; V314-L343 HydrophobicContact CG1-CD2 3.67Å; V314-L343 HydrophobicContact CG1-CG 4.12Å; E341-L343 PolarHBondContact O-N 3Å; L343-E345 VanDerWaalsContact C-N 3.25Å; L343-V347 HydrophobicContact CD2-CG1 4.28Å; L343-V347 HydrophobicContact CD2-CG2 4.18Å; L343-V372 HydrophobicContact CB-CG2 4.14Å; L343-V372 WeakPolarHBondContact O-CG2 3.43Å
344	E	81.3	Confident	89.2	Confident	174 Å²	174	71 Å²	71	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.8	168.6	-60.6	-168.9	161.3	0	0	112.8	N342	N342-E344 PolarHBondContact O-N 3.25Å; N342-E344 VanDerWaalsContact O-N 3.12Å; N342-E344 WeakPolarHBondContact OD1-CB 3.24Å; N342-E344 PolarHBondContact OD1-N 3.5Å; N342-E344 VanDerWaalsContact OD1-N 3.13Å
345	E	83.9	Confident	88.3	Confident	125 Å²	125	67.9 Å²	67.9	58%	0.584	34%	0.335	S	S	*	.	S	Bend	trans	-93.8	164	176.7	-66.9	174	-150.9	0	0	111.9	N342 L343 V347 Q375	N342-E345 HydrophobicContact CB-CG 4.31Å; N342-E345 PolarHBondContact ND2-OE1 3.5Å; N342-E345 WeakPolarHBondContact O-CB 3.37Å; N342-E345 PolarHBondContact O-N 3.41Å; L343-E345 VanDerWaalsContact C-N 3.25Å; E345-V347 PolarHBondContact O-N 3.07Å; E345-Q375 PolarHBondContact O-NE2 3.41Å; E345-Q375 PolarHBondContact O-OE1 3.25Å; E345-Q375 VanDerWaalsContact O-OE1 3.13Å
346	D	83.3	Confident	87.7	Confident	62 Å²	62	66.8 Å²	66.8	33%	0.332	34%	0.335	S	S	.	.			trans	-73.5	87	178.4	-179.1	16.7	0	0	0	111.5	T348 K349	D346-T348 PolarHBondContact O-N 2.89Å; D346-T348 WeakPolarHBondContact OD1-CB 3.35Å; D346-T348 PolarHBondContact OD1-N 2.88Å; D346-T348 PolarHBondContact OD1-OG1 3.38Å; D346-K349 PolarHBondContact O-N 2.85Å; D346-K349 VanDerWaalsContact OD2-CE 3.3Å; D346-K349 WeakPolarHBondContact OD2-CE 3.19Å
347	V	83.8	Confident	87.4	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.036	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-72.7	-8.9	178.6	-63.1	0	0	0	0	113.3	E341 L343 E345 K349 Q350 W352	E341-V347 HydrophobicContact CB-CG1 4.03Å; L343-V347 HydrophobicContact CD2-CG1 4.28Å; L343-V347 HydrophobicContact CD2-CG2 4.18Å; E345-V347 PolarHBondContact O-N 3.07Å; V347-K349 PolarHBondContact O-N 2.95Å; V347-K349 VanDerWaalsContact O-N 3.1Å; V347-Q350 HydrophobicContact CB-CG 4.39Å; V347-Q350 WeakPolarHBondContact O-CB 3.49Å; V347-Q350 WeakPolarHBondContact O-CG 3.33Å; V347-Q350 PolarHBondContact O-N 3.28Å; V347-W352 HydrophobicContact CB-CH2 3.72Å; V347-W352 HydrophobicContact CB-CZ2 3.69Å; V347-W352 HydrophobicContact CG1-CZ2 4.39Å; V347-W352 HydrophobicContact CG2-CH2 3.67Å; V347-W352 HydrophobicContact CG2-CZ2 4.14Å
348	T	81.2	Confident	87.2	Confident	20 Å²	20	66 Å²	66	12%	0.123	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.6	174.3	72.8	0	0	0	0	113.2	D346 Q350 Q375 K378 L379	D346-T348 PolarHBondContact O-N 2.89Å; D346-T348 WeakPolarHBondContact OD1-CB 3.35Å; D346-T348 PolarHBondContact OD1-N 2.88Å; D346-T348 PolarHBondContact OD1-OG1 3.38Å; T348-Q350 VanDerWaalsContact C-N 3.34Å; T348-Q375 HydrophobicContact CG2-CB 3.7Å; T348-Q375 HydrophobicContact CG2-CG 4.29Å; T348-K378 HydrophobicContact CG2-CB 4.48Å; T348-K378 HydrophobicContact CG2-CD 4.15Å; T348-K378 PolarHBondContact OG1-NZ 3.49Å; T348-L379 HydrophobicContact CG2-CD2 4.46Å; T348-L379 HydrophobicContact CG2-CG 4.38Å
349	K	85.3	Confident	87.1	Confident	159 Å²	159	66.1 Å²	66.1	69%	0.691	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-79.5	-16	173.3	-66.5	178.2	-178.7	171	0	113.4	D346 V347	D346-K349 PolarHBondContact O-N 2.85Å; D346-K349 VanDerWaalsContact OD2-CE 3.3Å; D346-K349 WeakPolarHBondContact OD2-CE 3.19Å; V347-K349 PolarHBondContact O-N 2.95Å; V347-K349 VanDerWaalsContact O-N 3.1Å
350	Q	87	Confident	87.1	Confident	61 Å²	61	62.3 Å²	62.3	29%	0.285	31%	0.313	S	S	.	.	S	Bend	trans	-69.9	149.1	-174.7	-64.1	-63.4	8.2	0	0	111.8	E341 V347 T348 W352 A353	E341-Q350 VanDerWaalsContact CD-NE2 3.31Å; E341-Q350 VanDerWaalsContact OE1-CD 3.3Å; E341-Q350 PolarHBondContact OE1-NE2 3.45Å; E341-Q350 PolarHBondContact OE2-NE2 2.92Å; V347-Q350 HydrophobicContact CB-CG 4.39Å; V347-Q350 WeakPolarHBondContact O-CB 3.49Å; V347-Q350 WeakPolarHBondContact O-CG 3.33Å; V347-Q350 PolarHBondContact O-N 3.28Å; T348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-W352 HydrophobicContact CB-CD2 3.98Å; Q350-W352 VanDerWaalsContact CB-CE2 3.42Å; Q350-W352 HydrophobicContact CB-CG 4.11Å; Q350-W352 HydrophobicContact CB-CZ2 3.92Å; Q350-W352 HydrophobicContact CG-CZ2 4Å; Q350-W352 PolarHBondContact O-N 3.32Å; Q350-W352 VanDerWaalsContact O-N 3.13Å; Q350-A353 WeakPolarHBondContact O-CB 3.26Å; Q350-A353 PolarHBondContact O-N 3.15Å
351	P	87	Confident	87.2	Confident	88 Å²	88	57.7 Å²	57.7	57%	0.571	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.2	-178.2	-26.7	34.9	0	0	0	113.8	A353 K354	P351-A353 PolarHBondContact O-N 2.95Å; P351-K354 WeakPolarHBondContact O-CB 3.49Å; P351-K354 PolarHBondContact O-N 2.9Å
352	W	88.5	Confident	87.4	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.038	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-70.4	-16.4	179.2	55.3	-107.2	0	0	0	113.5	R289 L291 V312 V314 Y339 E341 V347 Q350 F357	R289-W352 PolarHBondContact NH2-O 3.06Å; L291-W352 HydrophobicContact CD1-CE3 4.45Å; L291-W352 HydrophobicContact CD1-CH2 4.45Å; L291-W352 HydrophobicContact CD1-CZ3 3.88Å; L291-W352 HydrophobicContact CD2-CZ3 4.35Å; V312-W352 HydrophobicContact CG1-CD2 4.27Å; V312-W352 HydrophobicContact CG1-CE3 4.16Å; V312-W352 HydrophobicContact CG1-CG 4.46Å; V314-W352 HydrophobicContact CG2-CH2 3.93Å; V314-W352 HydrophobicContact CG2-CZ2 3.91Å; V314-W352 HydrophobicContact CG2-CZ3 4.44Å; Y339-W352 AromaticContact CD1-CD1 3.7Å; Y339-W352 HydrophobicContact CD2-CB 4.3Å; Y339-W352 AromaticContact CD2-CD1 3.56Å; Y339-W352 HydrophobicContact CD2-CD2 4.48Å; Y339-W352 AromaticContact CD2-CG 3.89Å; Y339-W352 HydrophobicContact CD2-CG 3.89Å; Y339-W352 AromaticContact CD2-NE1 3.97Å; Y339-W352 AromaticContact CE1-CD1 3.73Å; Y339-W352 HydrophobicContact CE2-CB 3.6Å; Y339-W352 AromaticContact CE2-CD1 3.57Å; Y339-W352 AromaticContact CE2-CG 3.68Å; Y339-W352 HydrophobicContact CE2-CG 3.68Å; Y339-W352 AromaticContact CG-CD1 3.63Å; Y339-W352 HydrophobicContact CG-CG 4.39Å; Y339-W352 AromaticContact CG-NE1 3.78Å; Y339-W352 AromaticContact CZ-CD1 3.66Å; E341-W352 HydrophobicContact CG-CZ2 4.27Å; E341-W352 PolarHBondContact OE1-NE1 2.91Å; V347-W352 HydrophobicContact CB-CH2 3.72Å; V347-W352 HydrophobicContact CB-CZ2 3.69Å; V347-W352 HydrophobicContact CG1-CZ2 4.39Å; V347-W352 HydrophobicContact CG2-CH2 3.67Å; V347-W352 HydrophobicContact CG2-CZ2 4.14Å; Q350-W352 HydrophobicContact CB-CD2 3.98Å; Q350-W352 VanDerWaalsContact CB-CE2 3.42Å; Q350-W352 HydrophobicContact CB-CG 4.11Å; Q350-W352 HydrophobicContact CB-CZ2 3.92Å; Q350-W352 HydrophobicContact CG-CZ2 4Å; Q350-W352 PolarHBondContact O-N 3.32Å; Q350-W352 VanDerWaalsContact O-N 3.13Å; W352-F357 AromaticContact CE3-CE2 3.79Å; W352-F357 HydrophobicContact CE3-CE2 3.79Å; W352-F357 AromaticContact CE3-CZ 3.8Å; W352-F357 HydrophobicContact CE3-CZ 3.8Å; W352-F357 AromaticContact CZ3-CE2 3.85Å; W352-F357 HydrophobicContact CZ3-CE2 3.85Å; W352-F357 HydrophobicContact CZ3-CZ 4.17Å
353	A	87.5	Confident	87.7	Confident	7 Å²	7	54.5 Å²	54.5	6%	0.058	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-84.4	-19.2	177.1	0	0	0	0	0	113.2	Q350 P351 N355 G356 L379	Q350-A353 WeakPolarHBondContact O-CB 3.26Å; Q350-A353 PolarHBondContact O-N 3.15Å; P351-A353 PolarHBondContact O-N 2.95Å; A353-N355 PolarHBondContact O-N 2.99Å; A353-N355 VanDerWaalsContact O-N 3.12Å; A353-G356 PolarHBondContact O-N 2.8Å; A353-L379 HydrophobicContact CB-CD2 4.2Å
354	K	80.6	Confident	88	Confident	165 Å²	165	54.3 Å²	54.3	72%	0.717	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.9	-171.5	-69.2	-177.5	177.8	179.9	0	114.7	P351 G356	P351-K354 WeakPolarHBondContact O-CB 3.49Å; P351-K354 PolarHBondContact O-N 2.9Å; K354-G356 VanDerWaalsContact C-N 3.3Å
355	N	77.4	Confident	88.3	Confident	122 Å²	122	49.6 Å²	49.6	65%	0.652	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	5.3	-177.9	-65.8	-5.3	0	0	0	112.6	R289 A353	R289-N355 PolarHBondContact NH1-ND2 3.13Å; R289-N355 VanDerWaalsContact NH1-ND2 3.14Å; A353-N355 PolarHBondContact O-N 2.99Å; A353-N355 VanDerWaalsContact O-N 3.12Å
356	G	82.7	Confident	88.5	Confident	24 Å²	24	52 Å²	52	25%	0.247	27%	0.269	C	S	.	.			trans	67.6	-178.3	-175.4	0	0	0	0	0	113.1	R289 A353 K354	R289-G356 WeakPolarHBondContact CD-O 3.31Å; R289-G356 PolarHBondContact NE-O 3.33Å; A353-G356 PolarHBondContact O-N 2.8Å; K354-G356 VanDerWaalsContact C-N 3.3Å
357	F	92.1	Very high	88.8	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.035	28%	0.283	C	S	.	.			trans	-146.1	132.4	174.7	-69	-80.6	0	0	0	109.6	R289 L291 V312 W352 V360 L379 P381	R289-F357 HydrophobicContact CB-CD1 4.49Å; R289-F357 HydrophobicContact CG-CD1 3.68Å; R289-F357 HydrophobicContact CG-CE1 3.85Å; R289-F357 WeakPolarHBondContact O-CA 3.16Å; L291-F357 HydrophobicContact CB-CB 4.18Å; L291-F357 HydrophobicContact CB-CD1 3.5Å; L291-F357 HydrophobicContact CB-CD2 3.94Å; L291-F357 HydrophobicContact CB-CE1 3.75Å; L291-F357 HydrophobicContact CB-CE2 4.16Å; L291-F357 HydrophobicContact CB-CG 3.6Å; L291-F357 HydrophobicContact CB-CZ 4.07Å; L291-F357 HydrophobicContact CD1-CE1 4.18Å; L291-F357 HydrophobicContact CD1-CE2 4.05Å; L291-F357 HydrophobicContact CD1-CZ 3.81Å; L291-F357 HydrophobicContact CD2-CD2 3.83Å; L291-F357 HydrophobicContact CD2-CE2 3.89Å; L291-F357 HydrophobicContact CD2-CG 4.32Å; L291-F357 HydrophobicContact CD2-CZ 4.44Å; L291-F357 HydrophobicContact CG-CD2 4.37Å; L291-F357 HydrophobicContact CG-CE1 4.48Å; L291-F357 HydrophobicContact CG-CE2 4.27Å; L291-F357 HydrophobicContact CG-CZ 4.33Å; V312-F357 HydrophobicContact CB-CE1 3.75Å; V312-F357 HydrophobicContact CB-CZ 3.86Å; V312-F357 HydrophobicContact CG1-CZ 4.27Å; V312-F357 HydrophobicContact CG2-CE1 3.68Å; V312-F357 HydrophobicContact CG2-CZ 3.84Å; W352-F357 AromaticContact CE3-CE2 3.79Å; W352-F357 HydrophobicContact CE3-CE2 3.79Å; W352-F357 AromaticContact CE3-CZ 3.8Å; W352-F357 HydrophobicContact CE3-CZ 3.8Å; W352-F357 AromaticContact CZ3-CE2 3.85Å; W352-F357 HydrophobicContact CZ3-CE2 3.85Å; W352-F357 HydrophobicContact CZ3-CZ 4.17Å; F357-V360 HydrophobicContact CB-CG2 4.46Å; F357-L379 HydrophobicContact CD2-CD1 4.04Å; F357-L379 HydrophobicContact CD2-CD2 4.13Å; F357-P381 WeakPolarHBondContact O-CA 3.46Å
358	D	91.7	Very high	89.1	Confident	58 Å²	58	53.1 Å²	53.1	31%	0.31	29%	0.289	S	S	.	.	S	Bend	trans	-75	-33	178.9	-55.2	-70.4	0	0	0	111.1	D288 R289 P381 I382	D288-D358 HydrophobicContact CB-CB 4.38Å; D288-D358 WeakPolarHBondContact OD1-CB 3.35Å; R289-D358 PolarHBondContact N-OD2 2.96Å; R289-D358 PolarHBondContact O-N 3.49Å; D358-P381 CarbonylContact O-C 3.55Å; D358-I382 PolarHBondContact O-N 2.7Å
359	K	95.1	Very high	89.5	Confident	9 Å²	9	52.3 Å²	52.3	4%	0.039	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.3	-171.2	-51.8	-64.3	171.7	66.9	0	110.1	L282 D283 D288 V290 L291 R383	L282-K359 HydrophobicContact CD2-CB 4.24Å; L282-K359 WeakPolarHBondContact O-CD 3.43Å; L282-K359 PolarHBondContact O-NZ 3.06Å; D283-K359 PolarHBondContact O-NZ 2.82Å; D288-K359 HydrophobicContact CB-CG 4.43Å; D288-K359 IonicContact OD1-NZ 2.8Å; D288-K359 WeakPolarHBondContact OD2-CE 3.18Å; D288-K359 IonicContact OD2-NZ 3.02Å; D288-K359 PolarHBondContact OD2-NZ 3.35Å; V290-K359 WeakPolarHBondContact CA-O 3.48Å; V290-K359 HydrophobicContact CB-CB 4.49Å; V290-K359 HydrophobicContact CG1-CB 4.09Å; V290-K359 HydrophobicContact CG2-CB 4.13Å; V290-K359 HydrophobicContact CG2-CG 4.47Å; L291-K359 PolarHBondContact N-O 3.43Å; K359-R383 WeakPolarHBondContact CA-O 3.24Å; K359-R383 HydrophobicContact CD-CB 3.76Å; K359-R383 HydrophobicContact CD-CG 4.01Å
360	V	96.6	Very high	89.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132	176.2	173.5	0	0	0	0	110.4	L291 L293 F357 L362 I376 P381 R383 I384 V385	L291-V360 HydrophobicContact CB-CG2 4.09Å; L291-V360 HydrophobicContact CD2-CG2 4.22Å; L291-V360 CarbonylContact O-C 3.46Å; L291-V360 WeakPolarHBondContact O-CA 3.27Å; L293-V360 HydrophobicContact CD1-CG1 4.26Å; F357-V360 HydrophobicContact CB-CG2 4.46Å; V360-L362 HydrophobicContact CG1-CD2 4.44Å; V360-I376 HydrophobicContact CB-CG2 4.38Å; V360-I376 HydrophobicContact CG1-CD1 4.06Å; V360-I376 HydrophobicContact CG1-CG1 4.18Å; V360-I376 HydrophobicContact CG1-CG2 4.16Å; V360-I376 HydrophobicContact CG2-CG2 4.36Å; V360-P381 HydrophobicContact CB-CB 4.2Å; V360-P381 HydrophobicContact CB-CG 4.08Å; V360-P381 HydrophobicContact CG2-CB 3.65Å; V360-P381 HydrophobicContact CG2-CG 3.61Å; V360-R383 PolarHBondContact N-O 3.27Å; V360-I384 HydrophobicContact CB-CG1 4.44Å; V360-I384 CarbonylContact O-C 3.58Å; V360-I384 VanDerWaalsContact O-CA 3.25Å; V360-I384 WeakPolarHBondContact O-CA 3.49Å; V360-V385 PolarHBondContact O-N 3.48Å
361	L	97.6	Very high	89.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.1	165.6	-166.4	141.4	0	0	0	109.5	A278 L282 L291 D292 L293 F300 V385	A278-L361 HydrophobicContact CB-CD1 3.86Å; L282-L361 HydrophobicContact CD1-CB 4.11Å; L282-L361 HydrophobicContact CD1-CD1 3.88Å; L291-L361 PolarHBondContact O-N 3.16Å; D292-L361 WeakPolarHBondContact CA-O 3.3Å; D292-L361 VanDerWaalsContact OD1-CD2 3.29Å; D292-L361 WeakPolarHBondContact OD1-CD2 3.25Å; L293-L361 PolarHBondContact N-O 3.35Å; F300-L361 HydrophobicContact CB-CD1 3.95Å; F300-L361 HydrophobicContact CB-CD2 3.86Å; F300-L361 HydrophobicContact CD1-CD1 3.73Å; F300-L361 HydrophobicContact CD1-CD2 4.26Å; F300-L361 HydrophobicContact CD2-CD2 3.54Å; F300-L361 HydrophobicContact CE1-CD1 4.31Å; F300-L361 HydrophobicContact CE2-CD2 4.09Å; F300-L361 HydrophobicContact CG-CD1 3.83Å; F300-L361 HydrophobicContact CG-CD2 3.64Å; F300-L361 HydrophobicContact CG-CG 4.43Å; L361-V385 CarbonylContact C-O 3.58Å; L361-V385 VanDerWaalsContact CA-O 3.3Å; L361-V385 WeakPolarHBondContact CA-O 3.44Å; L361-V385 HydrophobicContact CD1-CB 4.38Å; L361-V385 HydrophobicContact CD1-CG1 4.22Å; L361-V385 HydrophobicContact CG-CB 4.45Å; L361-V385 HydrophobicContact CG-CG1 4.45Å
362	L	96.5	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.3	169.2	66.7	159.5	0	0	0	112.7	L293 V360 P364 A369 M373 I376 I384 V385 Y386 V387	L293-L362 HydrophobicContact CB-CB 3.99Å; L293-L362 WeakPolarHBondContact O-CA 3.29Å; V360-L362 HydrophobicContact CG1-CD2 4.44Å; L362-P364 HydrophobicContact CD1-CG 4.41Å; L362-A369 HydrophobicContact CD1-CB 3.79Å; L362-M373 HydrophobicContact CD1-CE 3.39Å; L362-I376 HydrophobicContact CD1-CD1 3.91Å; L362-I376 HydrophobicContact CD2-CD1 4.03Å; L362-I384 HydrophobicContact CD2-CG2 3.72Å; L362-V385 PolarHBondContact N-O 3.29Å; L362-Y386 HydrophobicContact CD1-CD1 4.48Å; L362-Y386 HydrophobicContact CD1-CD2 3.63Å; L362-Y386 HydrophobicContact CD1-CE2 3.68Å; L362-Y386 HydrophobicContact CD1-CG 4.04Å; L362-Y386 HydrophobicContact CD2-CD2 4Å; L362-Y386 HydrophobicContact CD2-CG 3.94Å; L362-Y386 HydrophobicContact CG-CD1 4.23Å; L362-Y386 HydrophobicContact CG-CD2 3.9Å; L362-Y386 HydrophobicContact CG-CE2 4.37Å; L362-Y386 HydrophobicContact CG-CG 3.8Å; L362-Y386 WeakPolarHBondContact O-CA 3.36Å; L362-V387 PolarHBondContact O-N 2.91Å
363	D	95.2	Very high	89.7	Confident	39 Å²	39	42.3 Å²	42.3	21%	0.209	26%	0.256	C	S	.	.			trans	-132	67.6	175.3	-173.2	14.9	0	0	0	111	L293 F294 F300 V387	L293-D363 PolarHBondContact O-N 2.9Å; F294-D363 WeakPolarHBondContact CB-O 3.45Å; F300-D363 HydrophobicContact CE2-CB 4.14Å; D363-V387 HydrophobicContact CB-CB 4.02Å; D363-V387 WeakPolarHBondContact OD1-CG1 3.38Å
364	P	93	Very high	89.7	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.026	28%	0.279	C	S	.	.			trans	-71.1	160.5	-176.7	29.2	-35.6	0	0	0	112.9	F294 L362 A369 Y386 V387	F294-P364 HydrophobicContact CD1-CB 4.42Å; F294-P364 HydrophobicContact CD2-CB 3.76Å; F294-P364 HydrophobicContact CE1-CB 4.42Å; F294-P364 HydrophobicContact CE2-CB 3.78Å; F294-P364 HydrophobicContact CG-CB 4.1Å; F294-P364 HydrophobicContact CZ-CB 4.11Å; L362-P364 HydrophobicContact CD1-CG 4.41Å; P364-A369 HydrophobicContact CB-CB 4.02Å; P364-A369 HydrophobicContact CG-CB 3.87Å; P364-Y386 HydrophobicContact CG-CD1 4.47Å; P364-Y386 HydrophobicContact CG-CE1 3.45Å; P364-Y386 VanDerWaalsContact CG-CE1 3.45Å; P364-Y386 VanDerWaalsContact CG-CZ 3.48Å; P364-Y386 WeakPolarHBondContact CG-OH 3.49Å; P364-V387 WeakPolarHBondContact CD-O 3.37Å
365	A	89	Confident	90.1	Very high	74 Å²	74	40.4 Å²	40.4	61%	0.612	25%	0.248	S	C	*	.			trans	-61.9	176.2	169.6	0	0	0	0	0	112.7	A367 G368	A365-A367 PolarHBondContact O-N 2.98Å; A365-G368 PolarHBondContact O-N 3.36Å
366	R	87.8	Confident	90.7	Very high	176 Å²	176	34.7 Å²	34.7	66%	0.664	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.9	-174	-161.5	178.5	179.7	169.4	2	115.9	G368 N390	R366-G368 PolarHBondContact O-N 2.97Å; R366-N390 HydrophobicContact CG-CB 3.92Å; R366-N390 PolarHBondContact O-ND2 3.09Å
367	A	88.9	Confident	91.1	Very high	77 Å²	77	34 Å²	34	64%	0.636	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.3	176.7	0	0	0	0	0	113.4	A365 T393 R396	A365-A367 PolarHBondContact O-N 2.98Å; A367-T393 WeakPolarHBondContact O-CG2 3.18Å; A367-R396 PolarHBondContact O-NH2 2.87Å
368	G	89.9	Confident	90.8	Very high	15 Å²	15	39.9 Å²	39.9	16%	0.155	23%	0.234	C	C	.	.			trans	75.2	-163.6	-171.8	0	0	0	0	0	112.3	A365 R366 Y386 D397	A365-G368 PolarHBondContact O-N 3.36Å; R366-G368 PolarHBondContact O-N 2.97Å; G368-Y386 WeakPolarHBondContact CA-OH 3.26Å; G368-D397 WeakPolarHBondContact CA-OD2 3.3Å
369	A	91	Very high	90.6	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	23%	0.225	C	C	.	.			trans	-130.8	35.1	-170.3	0	0	0	0	0	112.3	F294 L362 P364 G371 V372 M373 Y386 D397	F294-A369 HydrophobicContact CE2-CB 4.04Å; F294-A369 HydrophobicContact CZ-CB 4.46Å; L362-A369 HydrophobicContact CD1-CB 3.79Å; P364-A369 HydrophobicContact CB-CB 4.02Å; P364-A369 HydrophobicContact CG-CB 3.87Å; A369-G371 VanDerWaalsContact C-N 3.33Å; A369-G371 PolarHBondContact O-N 3.33Å; A369-V372 HydrophobicContact CB-CB 4.12Å; A369-V372 HydrophobicContact CB-CG2 4.4Å; A369-V372 CarbonylContact O-C 3.38Å; A369-V372 WeakPolarHBondContact O-CA 3.48Å; A369-V372 WeakPolarHBondContact O-CB 3.33Å; A369-V372 PolarHBondContact O-N 3.46Å; A369-M373 HydrophobicContact CB-CE 3.69Å; A369-M373 WeakPolarHBondContact O-CG 3.21Å; A369-M373 PolarHBondContact O-N 2.95Å; A369-Y386 HydrophobicContact CB-CE2 4.41Å; A369-Y386 PolarHBondContact N-OH 3.18Å; A369-D397 PolarHBondContact N-OD2 3.05Å
370	A	86.7	Confident	90.1	Very high	50 Å²	50	42 Å²	42	41%	0.413	24%	0.243	S	C	.	.	H	α-helix	trans	-51	-44.9	-176.1	0	0	0	0	0	114.4	V372	A370-V372 VanDerWaalsContact C-N 3.28Å; A370-V372 PolarHBondContact O-N 3.07Å
371	G	83.3	Confident	89.8	Confident	52 Å²	52	42 Å²	42	54%	0.536	24%	0.243	S	C	.	.	H	α-helix	trans	-70.9	-22	177.9	0	0	0	0	0	114	A369 Q375	A369-G371 VanDerWaalsContact C-N 3.33Å; A369-G371 PolarHBondContact O-N 3.33Å; G371-Q375 PolarHBondContact O-NE2 3.25Å
372	V	89.5	Confident	89.5	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-88.7	-25.2	-179.8	-174.1	0	0	0	0	111.2	L293 F294 L343 A369 A370 Q374 Q375 I376	L293-V372 HydrophobicContact CD1-CG1 3.61Å; F294-V372 HydrophobicContact CE2-CG2 4.15Å; F294-V372 HydrophobicContact CZ-CG2 3.97Å; L343-V372 HydrophobicContact CB-CG2 4.14Å; L343-V372 WeakPolarHBondContact O-CG2 3.43Å; A369-V372 HydrophobicContact CB-CB 4.12Å; A369-V372 HydrophobicContact CB-CG2 4.4Å; A369-V372 CarbonylContact O-C 3.38Å; A369-V372 WeakPolarHBondContact O-CA 3.48Å; A369-V372 WeakPolarHBondContact O-CB 3.33Å; A369-V372 PolarHBondContact O-N 3.46Å; A370-V372 VanDerWaalsContact C-N 3.28Å; A370-V372 PolarHBondContact O-N 3.07Å; V372-Q374 VanDerWaalsContact C-N 3.31Å; V372-Q374 PolarHBondContact O-N 3.19Å; V372-Q375 WeakPolarHBondContact O-CA 3.48Å; V372-Q375 VanDerWaalsContact O-CB 3.26Å; V372-Q375 WeakPolarHBondContact O-CB 3.45Å; V372-Q375 PolarHBondContact O-N 2.97Å; V372-I376 HydrophobicContact CG1-CD1 3.99Å; V372-I376 HydrophobicContact CG1-CG1 4.02Å; V372-I376 PolarHBondContact O-N 2.91Å
373	M	90.9	Very high	89.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-55.2	-44.9	-178.8	-72	-56.7	98.6	0	0	112.5	L362 A369 Q375 I376 I377 Y386 D397 A400 L401	L362-M373 HydrophobicContact CD1-CE 3.39Å; A369-M373 HydrophobicContact CB-CE 3.69Å; A369-M373 WeakPolarHBondContact O-CG 3.21Å; A369-M373 PolarHBondContact O-N 2.95Å; M373-Q375 PolarHBondContact O-N 3.14Å; M373-I376 HydrophobicContact CE-CD1 3.61Å; M373-I376 PolarHBondContact O-N 3.46Å; M373-I377 WeakPolarHBondContact O-CD1 3.37Å; M373-I377 WeakPolarHBondContact O-CG1 3.48Å; M373-I377 PolarHBondContact O-N 3.24Å; M373-Y386 HydrophobicContact CE-CD2 4.17Å; M373-Y386 HydrophobicContact CE-CE2 3.86Å; M373-Y386 HydrophobicContact SD-CD2 4.48Å; M373-Y386 HydrophobicContact SD-CE2 4.3Å; M373-D397 HydrophobicContact CG-CB 3.79Å; M373-D397 HydrophobicContact SD-CB 3.9Å; M373-A400 HydrophobicContact CB-CB 4.07Å; M373-A400 HydrophobicContact CG-CB 4.39Å; M373-L401 HydrophobicContact SD-CD1 4.26Å; M373-L401 HydrophobicContact SD-CD2 4.18Å; M373-L401 HydrophobicContact SD-CG 4.04Å
374	Q	87.4	Confident	89.4	Confident	118 Å²	118	44.8 Å²	44.8	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-63.6	-32	176.9	-66.5	-59.1	-36.9	0	0	112.5	V372 K378	V372-Q374 VanDerWaalsContact C-N 3.31Å; V372-Q374 PolarHBondContact O-N 3.19Å; Q374-K378 WeakPolarHBondContact O-CB 3.38Å; Q374-K378 PolarHBondContact O-N 2.99Å; Q374-K378 VanDerWaalsContact O-N 3.1Å
375	Q	89.6	Confident	89.6	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.065	25%	0.252	C	S	.	.	H	α-helix	trans	-71.8	-43.9	177.9	-53.8	-173.7	48.7	0	0	111	E345 T348 G371 V372 M373 I377 K378 L379	E345-Q375 PolarHBondContact O-NE2 3.41Å; E345-Q375 PolarHBondContact O-OE1 3.25Å; E345-Q375 VanDerWaalsContact O-OE1 3.13Å; T348-Q375 HydrophobicContact CG2-CB 3.7Å; T348-Q375 HydrophobicContact CG2-CG 4.29Å; G371-Q375 PolarHBondContact O-NE2 3.25Å; V372-Q375 WeakPolarHBondContact O-CA 3.48Å; V372-Q375 VanDerWaalsContact O-CB 3.26Å; V372-Q375 WeakPolarHBondContact O-CB 3.45Å; V372-Q375 PolarHBondContact O-N 2.97Å; M373-Q375 PolarHBondContact O-N 3.14Å; Q375-I377 VanDerWaalsContact C-N 3.34Å; Q375-I377 PolarHBondContact O-N 2.9Å; Q375-K378 WeakPolarHBondContact O-CB 3.33Å; Q375-K378 PolarHBondContact O-N 3.35Å; Q375-L379 WeakPolarHBondContact O-CG 3.2Å; Q375-L379 PolarHBondContact O-N 3.27Å; Q375-L379 VanDerWaalsContact O-N 3.12Å
376	I	91.1	Very high	90	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-44.6	174.2	-64.6	172.2	0	0	0	110.5	L293 V360 L362 V372 M373 K378 L379 E380 P381 I384	L293-I376 HydrophobicContact CD1-CD1 3.82Å; L293-I376 HydrophobicContact CD1-CG1 3.79Å; V360-I376 HydrophobicContact CB-CG2 4.38Å; V360-I376 HydrophobicContact CG1-CD1 4.06Å; V360-I376 HydrophobicContact CG1-CG1 4.18Å; V360-I376 HydrophobicContact CG1-CG2 4.16Å; V360-I376 HydrophobicContact CG2-CG2 4.36Å; L362-I376 HydrophobicContact CD1-CD1 3.91Å; L362-I376 HydrophobicContact CD2-CD1 4.03Å; V372-I376 HydrophobicContact CG1-CD1 3.99Å; V372-I376 HydrophobicContact CG1-CG1 4.02Å; V372-I376 PolarHBondContact O-N 2.91Å; M373-I376 HydrophobicContact CE-CD1 3.61Å; M373-I376 PolarHBondContact O-N 3.46Å; I376-K378 PolarHBondContact O-N 2.96Å; I376-L379 WeakPolarHBondContact O-CB 3.42Å; I376-L379 PolarHBondContact O-N 3.13Å; I376-E380 PolarHBondContact O-N 3.19Å; I376-P381 HydrophobicContact CG2-CG 3.95Å; I376-P381 WeakPolarHBondContact O-CD 3.23Å; I376-I384 HydrophobicContact CG2-CD1 3.55Å; I376-I384 HydrophobicContact CG2-CG1 4.11Å
377	I	89.5	Confident	90.4	Very high	10 Å²	10	33 Å²	33	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-41.3	177	-70.4	161	0	0	0	110.8	M373 Q375 L379 E380 A400 L401 A404	M373-I377 WeakPolarHBondContact O-CD1 3.37Å; M373-I377 WeakPolarHBondContact O-CG1 3.48Å; M373-I377 PolarHBondContact O-N 3.24Å; Q375-I377 VanDerWaalsContact C-N 3.34Å; Q375-I377 PolarHBondContact O-N 2.9Å; I377-L379 VanDerWaalsContact C-N 3.31Å; I377-L379 PolarHBondContact O-N 2.93Å; I377-E380 WeakPolarHBondContact O-CG 3.23Å; I377-E380 PolarHBondContact O-N 3.37Å; I377-E380 VanDerWaalsContact O-N 3.15Å; I377-A400 HydrophobicContact CD1-CB 4.49Å; I377-L401 HydrophobicContact CD1-CD2 4.36Å; I377-L401 HydrophobicContact CG1-CD2 3.91Å; I377-A404 HydrophobicContact CB-CB 4.37Å; I377-A404 HydrophobicContact CD1-CB 3.72Å; I377-A404 HydrophobicContact CG1-CB 3.73Å; I377-A404 HydrophobicContact CG2-CB 3.7Å
378	K	87	Confident	90.7	Very high	132 Å²	132	29.4 Å²	29.4	57%	0.574	16%	0.163	S	C	*	.	H	α-helix	trans	-68.6	-26.2	178.3	-172.5	178.2	173.5	-164.4	0	113.7	T348 Q374 Q375 I376 E380	T348-K378 HydrophobicContact CG2-CB 4.48Å; T348-K378 HydrophobicContact CG2-CD 4.15Å; T348-K378 PolarHBondContact OG1-NZ 3.49Å; Q374-K378 WeakPolarHBondContact O-CB 3.38Å; Q374-K378 PolarHBondContact O-N 2.99Å; Q374-K378 VanDerWaalsContact O-N 3.1Å; Q375-K378 WeakPolarHBondContact O-CB 3.33Å; Q375-K378 PolarHBondContact O-N 3.35Å; I376-K378 PolarHBondContact O-N 2.96Å; K378-E380 VanDerWaalsContact C-N 3.26Å
379	L	86.5	Confident	90.8	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-77.3	-13.6	173.8	-65.9	171	0	0	0	112.7	L291 T348 A353 F357 Q375 I376 I377 P381	L291-L379 HydrophobicContact CD2-CD1 3.49Å; L291-L379 VanDerWaalsContact CD2-CD1 3.49Å; T348-L379 HydrophobicContact CG2-CD2 4.46Å; T348-L379 HydrophobicContact CG2-CG 4.38Å; A353-L379 HydrophobicContact CB-CD2 4.2Å; F357-L379 HydrophobicContact CD2-CD1 4.04Å; F357-L379 HydrophobicContact CD2-CD2 4.13Å; Q375-L379 WeakPolarHBondContact O-CG 3.2Å; Q375-L379 PolarHBondContact O-N 3.27Å; Q375-L379 VanDerWaalsContact O-N 3.12Å; I376-L379 WeakPolarHBondContact O-CB 3.42Å; I376-L379 PolarHBondContact O-N 3.13Å; I377-L379 VanDerWaalsContact C-N 3.31Å; I377-L379 PolarHBondContact O-N 2.93Å; L379-P381 VanDerWaalsContact C-CD 3.44Å
380	E	85.7	Confident	90.8	Very high	88 Å²	88	32.4 Å²	32.4	41%	0.411	18%	0.178	S	C	.	.			trans	48.5	44.7	178.9	-55	-156.8	126.3	0	0	116.2	I376 I377 K378 K431	I376-E380 PolarHBondContact O-N 3.19Å; I377-E380 WeakPolarHBondContact O-CG 3.23Å; I377-E380 PolarHBondContact O-N 3.37Å; I377-E380 VanDerWaalsContact O-N 3.15Å; K378-E380 VanDerWaalsContact C-N 3.26Å; E380-K431 IonicContact OE1-NZ 3.06Å; E380-K431 PolarHBondContact OE1-NZ 3.14Å
381	P	90.8	Very high	90.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.			trans	-62.1	145	176.7	31	-38.9	0	0	0	111.1	F357 D358 V360 I376 L379 R383 I384 Y406	F357-P381 WeakPolarHBondContact O-CA 3.46Å; D358-P381 CarbonylContact O-C 3.55Å; V360-P381 HydrophobicContact CB-CB 4.2Å; V360-P381 HydrophobicContact CB-CG 4.08Å; V360-P381 HydrophobicContact CG2-CB 3.65Å; V360-P381 HydrophobicContact CG2-CG 3.61Å; I376-P381 HydrophobicContact CG2-CG 3.95Å; I376-P381 WeakPolarHBondContact O-CD 3.23Å; L379-P381 VanDerWaalsContact C-CD 3.44Å; P381-R383 VanDerWaalsContact C-N 3.34Å; P381-I384 HydrophobicContact CB-CG1 4.35Å; P381-I384 HydrophobicContact CG-CD1 3.88Å; P381-I384 HydrophobicContact CG-CG1 3.56Å; P381-Y406 VanDerWaalsContact CD-OH 3.27Å; P381-Y406 WeakPolarHBondContact CD-OH 3.34Å; P381-Y406 WeakPolarHBondContact O-CE1 3.14Å; P381-Y406 VanDerWaalsContact O-CZ 3.32Å; P381-Y406 PolarHBondContact O-OH 3.46Å
382	I	90.2	Very high	91.3	Very high	51 Å²	51	31 Å²	31	26%	0.262	16%	0.16	S	C	.	.	S	Bend	trans	-70.1	-37.6	178.2	-57	173.6	0	0	0	110	D358 L430 K431	D358-I382 PolarHBondContact O-N 2.7Å; I382-L430 WeakPolarHBondContact O-CA 3.38Å; I382-K431 PolarHBondContact O-N 2.95Å; I382-K431 VanDerWaalsContact O-N 3.07Å
383	R	93.8	Very high	91.4	Very high	45 Å²	45	31.5 Å²	31.5	17%	0.17	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.2	178.4	-54.6	-167.9	178.2	-168.6	15.4	111.5	W281 L282 D283 K359 V360 P381 W428 S429 L430	W281-R383 PolarHBondContact O-NH1 3.17Å; L282-R383 HydrophobicContact CD2-CB 4.32Å; L282-R383 WeakPolarHBondContact O-CD 3.39Å; D283-R383 VanDerWaalsContact CB-CZ 3.47Å; D283-R383 IonicContact OD2-CZ 2.67Å; D283-R383 IonicContact OD2-NH1 3.29Å; D283-R383 IonicContact OD2-NH2 2.81Å; D283-R383 PolarHBondContact OD2-NH2 2.82Å; K359-R383 WeakPolarHBondContact CA-O 3.24Å; K359-R383 HydrophobicContact CD-CB 3.76Å; K359-R383 HydrophobicContact CD-CG 4.01Å; V360-R383 PolarHBondContact N-O 3.27Å; P381-R383 VanDerWaalsContact C-N 3.34Å; R383-W428 VanDerWaalsContact NH1-CZ2 3.26Å; R383-S429 WeakPolarHBondContact CA-O 3.36Å; R383-L430 HydrophobicContact CG-CD1 4.02Å
384	I	96.3	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.1	175.3	-56.7	168.6	0	0	0	108.6	V360 L362 I376 P381 L401 Y406 W428 S429	V360-I384 HydrophobicContact CB-CG1 4.44Å; V360-I384 CarbonylContact O-C 3.58Å; V360-I384 VanDerWaalsContact O-CA 3.25Å; V360-I384 WeakPolarHBondContact O-CA 3.49Å; L362-I384 HydrophobicContact CD2-CG2 3.72Å; I376-I384 HydrophobicContact CG2-CD1 3.55Å; I376-I384 HydrophobicContact CG2-CG1 4.11Å; P381-I384 HydrophobicContact CB-CG1 4.35Å; P381-I384 HydrophobicContact CG-CD1 3.88Å; P381-I384 HydrophobicContact CG-CG1 3.56Å; I384-L401 HydrophobicContact CD1-CD1 4.03Å; I384-L401 HydrophobicContact CD1-CD2 3.69Å; I384-L401 HydrophobicContact CD1-CG 4.48Å; I384-L401 HydrophobicContact CG2-CD1 4.35Å; I384-Y406 HydrophobicContact CD1-CD1 3.83Å; I384-Y406 HydrophobicContact CD1-CD2 4.5Å; I384-Y406 HydrophobicContact CD1-CE1 3.37Å; I384-Y406 HydrophobicContact CD1-CE2 4.11Å; I384-Y406 HydrophobicContact CD1-CG 4.39Å; I384-Y406 HydrophobicContact CG1-CD1 4.4Å; I384-Y406 HydrophobicContact CG1-CE1 3.84Å; I384-W428 CarbonylContact O-C 3.5Å; I384-W428 WeakPolarHBondContact O-CA 3.27Å; I384-S429 PolarHBondContact N-O 3.2Å; I384-S429 PolarHBondContact O-N 3.13Å
385	V	97.5	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.3	166.7	170.6	0	0	0	0	109.2	A278 W281 L282 V360 L361 L362 M426 V427 W428	A278-V385 HydrophobicContact CB-CG1 4.09Å; W281-V385 HydrophobicContact CB-CG2 3.9Å; W281-V385 HydrophobicContact CE3-CG2 4.44Å; L282-V385 HydrophobicContact CD2-CB 3.97Å; L282-V385 HydrophobicContact CD2-CG2 3.6Å; L282-V385 HydrophobicContact CG-CB 4.11Å; L282-V385 HydrophobicContact CG-CG2 3.64Å; V360-V385 PolarHBondContact O-N 3.48Å; L361-V385 CarbonylContact C-O 3.58Å; L361-V385 VanDerWaalsContact CA-O 3.3Å; L361-V385 WeakPolarHBondContact CA-O 3.44Å; L361-V385 HydrophobicContact CD1-CB 4.38Å; L361-V385 HydrophobicContact CD1-CG1 4.22Å; L361-V385 HydrophobicContact CG-CB 4.45Å; L361-V385 HydrophobicContact CG-CG1 4.45Å; L362-V385 PolarHBondContact N-O 3.29Å; V385-M426 HydrophobicContact CG1-CG 3.72Å; V385-M426 HydrophobicContact CG1-SD 3.8Å; V385-V427 WeakPolarHBondContact CA-O 3.41Å; V385-W428 HydrophobicContact CG2-CB 4.21Å; V385-W428 HydrophobicContact CG2-CG 4.49Å
386	Y	97.1	Very high	92	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.9	178	-172.7	-33.3	0	0	0	108.5	L362 P364 G368 A369 M373 L394 D397 M426 V427	L362-Y386 HydrophobicContact CD1-CD1 4.48Å; L362-Y386 HydrophobicContact CD1-CD2 3.63Å; L362-Y386 HydrophobicContact CD1-CE2 3.68Å; L362-Y386 HydrophobicContact CD1-CG 4.04Å; L362-Y386 HydrophobicContact CD2-CD2 4Å; L362-Y386 HydrophobicContact CD2-CG 3.94Å; L362-Y386 HydrophobicContact CG-CD1 4.23Å; L362-Y386 HydrophobicContact CG-CD2 3.9Å; L362-Y386 HydrophobicContact CG-CE2 4.37Å; L362-Y386 HydrophobicContact CG-CG 3.8Å; L362-Y386 WeakPolarHBondContact O-CA 3.36Å; P364-Y386 HydrophobicContact CG-CD1 4.47Å; P364-Y386 HydrophobicContact CG-CE1 3.45Å; P364-Y386 VanDerWaalsContact CG-CE1 3.45Å; P364-Y386 VanDerWaalsContact CG-CZ 3.48Å; P364-Y386 WeakPolarHBondContact CG-OH 3.49Å; G368-Y386 WeakPolarHBondContact CA-OH 3.26Å; A369-Y386 HydrophobicContact CB-CE2 4.41Å; A369-Y386 PolarHBondContact N-OH 3.18Å; M373-Y386 HydrophobicContact CE-CD2 4.17Å; M373-Y386 HydrophobicContact CE-CE2 3.86Å; M373-Y386 HydrophobicContact SD-CD2 4.48Å; M373-Y386 HydrophobicContact SD-CE2 4.3Å; Y386-L394 HydrophobicContact CD1-CD1 3.61Å; Y386-L394 HydrophobicContact CD2-CD1 3.97Å; Y386-L394 HydrophobicContact CE1-CD1 3.94Å; Y386-L394 HydrophobicContact CE2-CD1 4.23Å; Y386-L394 HydrophobicContact CG-CD1 3.68Å; Y386-D397 HydrophobicContact CE2-CB 3.72Å; Y386-D397 PolarHBondContact OH-OD2 3.47Å; Y386-M426 CarbonylContact O-C 3.55Å; Y386-M426 WeakPolarHBondContact O-CA 3.3Å; Y386-V427 PolarHBondContact N-O 2.96Å; Y386-V427 PolarHBondContact O-N 3.18Å
387	V	96.6	Very high	92.1	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.9	168.1	-177.4	0	0	0	0	110.1	M274 F300 L362 D363 P364 L414 M426	M274-V387 HydrophobicContact SD-CG1 3.73Å; M274-V387 HydrophobicContact SD-CG2 4.4Å; F300-V387 HydrophobicContact CE1-CG2 4.5Å; F300-V387 HydrophobicContact CE2-CG2 4.42Å; F300-V387 HydrophobicContact CZ-CG2 3.86Å; L362-V387 PolarHBondContact O-N 2.91Å; D363-V387 HydrophobicContact CB-CB 4.02Å; D363-V387 WeakPolarHBondContact OD1-CG1 3.38Å; P364-V387 WeakPolarHBondContact CD-O 3.37Å; V387-L414 HydrophobicContact CG1-CD1 4.12Å; V387-M426 HydrophobicContact CG2-CB 4.44Å; V387-M426 HydrophobicContact CG2-CG 3.88Å; V387-M426 HydrophobicContact CG2-SD 3.89Å
388	S	94.6	Very high	92.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.3	-176.2	-177	0	0	0	0	112.5	N390 E424 S425	S388-N390 VanDerWaalsContact C-N 3.34Å; S388-N390 PolarHBondContact OG-N 3.13Å; S388-N390 PolarHBondContact OG-O 3.35Å; S388-E424 CarbonylContact O-C 3.56Å; S388-E424 WeakPolarHBondContact O-CA 3.45Å; S388-S425 PolarHBondContact N-O 2.95Å; S388-S425 PolarHBondContact O-N 3.33Å; S388-S425 PolarHBondContact O-OG 3.43Å
389	C	91.6	Very high	92.4	Very high	46 Å²	46	29.7 Å²	29.7	31%	0.311	16%	0.157	S	C	.	.	S	Bend	trans	-87.4	-0	168.2	65.7	0	0	0	0	114.2	E424	C389-E424 HydrophobicContact CB-CG 3.9Å
390	N	91.1	Very high	92.7	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	16%	0.16	C	C	.	.			trans	-138.9	104.1	179.6	-176.9	2.5	0	0	0	110.9	R366 S388 A392 T393 L394	R366-N390 HydrophobicContact CG-CB 3.92Å; R366-N390 PolarHBondContact O-ND2 3.09Å; S388-N390 VanDerWaalsContact C-N 3.34Å; S388-N390 PolarHBondContact OG-N 3.13Å; S388-N390 PolarHBondContact OG-O 3.35Å; N390-A392 PolarHBondContact O-N 3.34Å; N390-A392 PolarHBondContact OD1-N 3.13Å; N390-T393 WeakPolarHBondContact CB-OG1 3.47Å; N390-T393 WeakPolarHBondContact ND2-CG2 3.43Å; N390-T393 PolarHBondContact O-N 3.1Å; N390-T393 PolarHBondContact O-OG1 3.46Å; N390-L394 PolarHBondContact O-N 2.84Å
391	P	89.9	Confident	93	Very high	17 Å²	17	25.6 Å²	25.6	11%	0.11	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-21.1	-174.8	29.3	-37.5	0	0	0	112.9	L108 L111 A395 L423	L108-P391 HydrophobicContact CD1-CB 3.87Å; L111-P391 HydrophobicContact CD1-CB 3.71Å; L111-P391 HydrophobicContact CD1-CG 3.77Å; P391-A395 WeakPolarHBondContact O-CB 3.49Å; P391-A395 PolarHBondContact O-N 3.49Å; P391-L423 HydrophobicContact CB-CD2 4.44Å; P391-L423 HydrophobicContact CG-CB 4.48Å; P391-L423 HydrophobicContact CG-CD2 3.89Å; P391-L423 HydrophobicContact CG-CG 4.06Å
392	A	90.7	Very high	92.9	Very high	56 Å²	56	29.1 Å²	29.1	46%	0.463	16%	0.159	S	C	.	.	H	α-helix	trans	-72.3	-41.7	176.9	0	0	0	0	0	112.2	N390 R396	N390-A392 PolarHBondContact O-N 3.34Å; N390-A392 PolarHBondContact OD1-N 3.13Å; A392-R396 PolarHBondContact O-N 3.41Å
393	T	92.7	Very high	92.9	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-73.2	-34.5	174.1	52.1	0	0	0	0	110.8	A367 N390 R396 D397	A367-T393 WeakPolarHBondContact O-CG2 3.18Å; N390-T393 WeakPolarHBondContact CB-OG1 3.47Å; N390-T393 WeakPolarHBondContact ND2-CG2 3.43Å; N390-T393 PolarHBondContact O-N 3.1Å; N390-T393 PolarHBondContact O-OG1 3.46Å; T393-R396 PolarHBondContact O-N 3.03Å; T393-D397 WeakPolarHBondContact O-CB 3.46Å; T393-D397 PolarHBondContact O-N 2.9Å
394	L	94.6	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-51	171.3	-177.3	62.1	0	0	0	111.3	M112 Y386 N390 R396 D397 S398 S425 V427	M112-L394 HydrophobicContact CE-CD2 4.23Å; M112-L394 HydrophobicContact CE-CG 4.06Å; M112-L394 HydrophobicContact SD-CB 4.36Å; M112-L394 HydrophobicContact SD-CD2 3.84Å; M112-L394 HydrophobicContact SD-CG 3.74Å; Y386-L394 HydrophobicContact CD1-CD1 3.61Å; Y386-L394 HydrophobicContact CD2-CD1 3.97Å; Y386-L394 HydrophobicContact CE1-CD1 3.94Å; Y386-L394 HydrophobicContact CE2-CD1 4.23Å; Y386-L394 HydrophobicContact CG-CD1 3.68Å; N390-L394 PolarHBondContact O-N 2.84Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.03Å; L394-D397 PolarHBondContact O-N 2.89Å; L394-S398 VanDerWaalsContact O-CB 3.3Å; L394-S398 WeakPolarHBondContact O-CB 3.46Å; L394-S398 PolarHBondContact O-N 3.48Å; L394-S398 PolarHBondContact O-OG 2.87Å; L394-S398 VanDerWaalsContact O-OG 3.06Å; L394-S425 VanDerWaalsContact CD2-OG 3.24Å; L394-S425 WeakPolarHBondContact CD2-OG 3.22Å; L394-V427 HydrophobicContact CD1-CG1 3.73Å; L394-V427 HydrophobicContact CD2-CG1 4.47Å; L394-V427 HydrophobicContact CG-CG1 4.49Å
395	A	92.3	Very high	92	Very high	24 Å²	24	31.6 Å²	31.6	20%	0.198	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-41.7	179.4	0	0	0	0	0	112.5	M112 P391 E399	M112-A395 HydrophobicContact SD-CB 4.01Å; P391-A395 WeakPolarHBondContact O-CB 3.49Å; P391-A395 PolarHBondContact O-N 3.49Å; A395-E399 PolarHBondContact O-N 2.77Å; A395-E399 VanDerWaalsContact O-N 3.1Å
396	R	93.1	Very high	91.7	Very high	111 Å²	111	31.8 Å²	31.8	42%	0.419	18%	0.182	S	C	.	.	H	α-helix	trans	-61.9	-47.7	174.5	-180	-162.9	66.1	-163	-8.9	111.8	A367 A392 T393 L394 E399	A367-R396 PolarHBondContact O-NH2 2.87Å; A392-R396 PolarHBondContact O-N 3.41Å; T393-R396 PolarHBondContact O-N 3.03Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.03Å; R396-E399 WeakPolarHBondContact O-CB 3.5Å; R396-E399 PolarHBondContact O-N 3Å
397	D	93.6	Very high	91.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-73.6	-37.2	-173.8	-63.6	-13.9	0	0	0	110.6	G368 A369 M373 Y386 T393 L394 E399 A400 L401	G368-D397 WeakPolarHBondContact CA-OD2 3.3Å; A369-D397 PolarHBondContact N-OD2 3.05Å; M373-D397 HydrophobicContact CG-CB 3.79Å; M373-D397 HydrophobicContact SD-CB 3.9Å; Y386-D397 HydrophobicContact CE2-CB 3.72Å; Y386-D397 PolarHBondContact OH-OD2 3.47Å; T393-D397 WeakPolarHBondContact O-CB 3.46Å; T393-D397 PolarHBondContact O-N 2.9Å; L394-D397 PolarHBondContact O-N 2.89Å; D397-E399 VanDerWaalsContact C-N 3.31Å; D397-E399 PolarHBondContact O-N 3.48Å; D397-A400 WeakPolarHBondContact O-CB 3.3Å; D397-A400 PolarHBondContact O-N 3Å; D397-L401 PolarHBondContact O-N 3.32Å
398	S	91.6	Very high	91.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-32.3	170.9	-64	0	0	0	0	112.9	M112 L394 A400 L401 L402	M112-S398 WeakPolarHBondContact CE-OG 3.35Å; L394-S398 VanDerWaalsContact O-CB 3.3Å; L394-S398 WeakPolarHBondContact O-CB 3.46Å; L394-S398 PolarHBondContact O-N 3.48Å; L394-S398 PolarHBondContact O-OG 2.87Å; L394-S398 VanDerWaalsContact O-OG 3.06Å; S398-A400 PolarHBondContact O-N 3.14Å; S398-L401 PolarHBondContact O-N 2.72Å; S398-L401 VanDerWaalsContact O-N 3.13Å; S398-L402 VanDerWaalsContact O-CG 3.31Å; S398-L402 WeakPolarHBondContact O-CG 3.32Å; S398-L402 PolarHBondContact O-N 3.27Å
399	E	91.1	Very high	91.1	Very high	98 Å²	98	36.3 Å²	36.3	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-58.8	-36.1	173.6	-167.2	-173.7	157.4	0	0	111.8	A395 R396 D397 K403	A395-E399 PolarHBondContact O-N 2.77Å; A395-E399 VanDerWaalsContact O-N 3.1Å; R396-E399 WeakPolarHBondContact O-CB 3.5Å; R396-E399 PolarHBondContact O-N 3Å; D397-E399 VanDerWaalsContact C-N 3.31Å; D397-E399 PolarHBondContact O-N 3.48Å; E399-K403 WeakPolarHBondContact O-CB 3.28Å; E399-K403 VanDerWaalsContact O-CG 3.3Å; E399-K403 WeakPolarHBondContact O-CG 3.38Å; E399-K403 PolarHBondContact O-N 3.41Å; E399-K403 VanDerWaalsContact OE1-CE 3.23Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 3.71Å; E399-K403 PolarHBondContact OE1-NZ 3.03Å
400	A	91	Very high	91.3	Very high	24 Å²	24	40 Å²	40	20%	0.198	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-39.6	175.4	0	0	0	0	0	112.2	M373 I377 D397 S398 A404	M373-A400 HydrophobicContact CB-CB 4.07Å; M373-A400 HydrophobicContact CG-CB 4.39Å; I377-A400 HydrophobicContact CD1-CB 4.49Å; D397-A400 WeakPolarHBondContact O-CB 3.3Å; D397-A400 PolarHBondContact O-N 3Å; S398-A400 PolarHBondContact O-N 3.14Å; A400-A404 PolarHBondContact O-N 2.98Å
401	L	91.8	Very high	91.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-43.4	175.7	-62.9	179.9	0	0	0	111.7	M373 I377 I384 D397 S398 K403 A404 G405 Y406	M373-L401 HydrophobicContact SD-CD1 4.26Å; M373-L401 HydrophobicContact SD-CD2 4.18Å; M373-L401 HydrophobicContact SD-CG 4.04Å; I377-L401 HydrophobicContact CD1-CD2 4.36Å; I377-L401 HydrophobicContact CG1-CD2 3.91Å; I384-L401 HydrophobicContact CD1-CD1 4.03Å; I384-L401 HydrophobicContact CD1-CD2 3.69Å; I384-L401 HydrophobicContact CD1-CG 4.48Å; I384-L401 HydrophobicContact CG2-CD1 4.35Å; D397-L401 PolarHBondContact O-N 3.32Å; S398-L401 PolarHBondContact O-N 2.72Å; S398-L401 VanDerWaalsContact O-N 3.13Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 2.93Å; L401-A404 CarbonylContact O-C 3.5Å; L401-A404 WeakPolarHBondContact O-CA 2.94Å; L401-A404 PolarHBondContact O-N 2.82Å; L401-G405 PolarHBondContact O-N 3.36Å; L401-Y406 HydrophobicContact CB-CD2 4.29Å; L401-Y406 HydrophobicContact CB-CG 4.35Å; L401-Y406 HydrophobicContact CD2-CD2 4.39Å; L401-Y406 WeakPolarHBondContact O-CB 3.44Å; L401-Y406 WeakPolarHBondContact O-CD2 3.47Å; L401-Y406 PolarHBondContact O-N 3.27Å; L401-Y406 VanDerWaalsContact O-N 3.11Å
402	L	90.3	Very high	91.9	Very high	74 Å²	74	37.5 Å²	37.5	39%	0.387	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-44.6	176.9	-68.8	176.5	0	0	0	111.3	S398 A404 G405 Y406 I408	S398-L402 VanDerWaalsContact O-CG 3.31Å; S398-L402 WeakPolarHBondContact O-CG 3.32Å; S398-L402 PolarHBondContact O-N 3.27Å; L402-A404 PolarHBondContact O-N 2.89Å; L402-G405 PolarHBondContact O-N 3.13Å; L402-G405 VanDerWaalsContact O-N 3.12Å; L402-Y406 WeakPolarHBondContact CA-O 3.46Å; L402-Y406 VanDerWaalsContact CD2-O 3.22Å; L402-Y406 WeakPolarHBondContact CD2-O 3.21Å; L402-I408 HydrophobicContact CD2-CG1 4.18Å
403	K	88.9	Confident	92.2	Very high	104 Å²	104	34.8 Å²	34.8	45%	0.452	18%	0.182	S	C	.	.	H	α-helix	trans	-63	-20.4	174.4	-74.2	174.9	-177	169.6	0	113.9	E399 L401	E399-K403 WeakPolarHBondContact O-CB 3.28Å; E399-K403 VanDerWaalsContact O-CG 3.3Å; E399-K403 WeakPolarHBondContact O-CG 3.38Å; E399-K403 PolarHBondContact O-N 3.41Å; E399-K403 VanDerWaalsContact OE1-CE 3.23Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 3.71Å; E399-K403 PolarHBondContact OE1-NZ 3.03Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 2.93Å
404	A	86.1	Confident	92.4	Very high	9 Å²	9	34.1 Å²	34.1	7%	0.074	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	12	177.7	0	0	0	0	0	113.5	I377 A400 L401 L402 Y406	I377-A404 HydrophobicContact CB-CB 4.37Å; I377-A404 HydrophobicContact CD1-CB 3.72Å; I377-A404 HydrophobicContact CG1-CB 3.73Å; I377-A404 HydrophobicContact CG2-CB 3.7Å; A400-A404 PolarHBondContact O-N 2.98Å; L401-A404 CarbonylContact O-C 3.5Å; L401-A404 WeakPolarHBondContact O-CA 2.94Å; L401-A404 PolarHBondContact O-N 2.82Å; L402-A404 PolarHBondContact O-N 2.89Å; A404-Y406 HydrophobicContact CB-CD2 4.34Å
405	G	86.5	Confident	92.5	Very high	36 Å²	36	34.2 Å²	34.2	37%	0.371	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	13.7	175.9	0	0	0	0	0	115.2	L401 L402	L401-G405 PolarHBondContact O-N 3.36Å; L402-G405 PolarHBondContact O-N 3.13Å; L402-G405 VanDerWaalsContact O-N 3.12Å
406	Y	90.2	Very high	92.6	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148.5	168	-69.4	-97.7	0	0	0	110.7	P381 I384 L401 L402 A404 L430 K431	P381-Y406 VanDerWaalsContact CD-OH 3.27Å; P381-Y406 WeakPolarHBondContact CD-OH 3.34Å; P381-Y406 WeakPolarHBondContact O-CE1 3.14Å; P381-Y406 VanDerWaalsContact O-CZ 3.32Å; P381-Y406 PolarHBondContact O-OH 3.46Å; I384-Y406 HydrophobicContact CD1-CD1 3.83Å; I384-Y406 HydrophobicContact CD1-CD2 4.5Å; I384-Y406 HydrophobicContact CD1-CE1 3.37Å; I384-Y406 HydrophobicContact CD1-CE2 4.11Å; I384-Y406 HydrophobicContact CD1-CG 4.39Å; I384-Y406 HydrophobicContact CG1-CD1 4.4Å; I384-Y406 HydrophobicContact CG1-CE1 3.84Å; L401-Y406 HydrophobicContact CB-CD2 4.29Å; L401-Y406 HydrophobicContact CB-CG 4.35Å; L401-Y406 HydrophobicContact CD2-CD2 4.39Å; L401-Y406 WeakPolarHBondContact O-CB 3.44Å; L401-Y406 WeakPolarHBondContact O-CD2 3.47Å; L401-Y406 PolarHBondContact O-N 3.27Å; L401-Y406 VanDerWaalsContact O-N 3.11Å; L402-Y406 WeakPolarHBondContact CA-O 3.46Å; L402-Y406 VanDerWaalsContact CD2-O 3.22Å; L402-Y406 WeakPolarHBondContact CD2-O 3.21Å; A404-Y406 HydrophobicContact CB-CD2 4.34Å; Y406-L430 CarbonylContact C-O 3.56Å; Y406-L430 VanDerWaalsContact CA-O 3.3Å; Y406-L430 WeakPolarHBondContact CA-O 3.13Å; Y406-K431 HydrophobicContact CD1-CB 3.82Å; Y406-K431 HydrophobicContact CE1-CB 3.56Å; Y406-K431 HydrophobicContact CE1-CD 4.44Å; Y406-K431 HydrophobicContact CE1-CG 4.35Å; Y406-K431 HydrophobicContact CE2-CB 4.37Å; Y406-K431 HydrophobicContact CE2-CD 3.96Å; Y406-K431 HydrophobicContact CE2-CG 4.29Å; Y406-K431 HydrophobicContact CG-CB 4.31Å
407	T	91.5	Very high	92.7	Very high	59 Å²	59	29.3 Å²	29.3	36%	0.362	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145	169.5	58.8	0	0	0	0	109.6	A409 S429 L430	T407-A409 PolarHBondContact O-N 3.02Å; T407-S429 CarbonylContact O-C 3.52Å; T407-S429 WeakPolarHBondContact O-CA 3.29Å; T407-L430 PolarHBondContact N-O 3.2Å; T407-L430 PolarHBondContact O-N 3.47Å; T407-L430 PolarHBondContact OG1-O 2.9Å
408	I	93	Very high	92.8	Very high	20 Å²	20	29.2 Å²	29.2	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.6	171.6	-65.4	169.1	0	0	0	107.4	M112 H114 L402 L411 V427	M112-I408 HydrophobicContact CE-CD1 3.71Å; H114-I408 HydrophobicContact CB-CD1 4.45Å; H114-I408 HydrophobicContact CB-CG2 4.48Å; H114-I408 PolarHBondContact NE2-O 3.17Å; L402-I408 HydrophobicContact CD2-CG1 4.18Å; I408-L411 HydrophobicContact CG2-CB 4.48Å; I408-V427 HydrophobicContact CB-CG2 4.32Å; I408-V427 HydrophobicContact CD1-CG2 4.35Å; I408-V427 HydrophobicContact CG1-CG2 3.96Å; I408-V427 HydrophobicContact CG2-CG2 3.58Å
409	A	92.4	Very high	93	Very high	24 Å²	24	29.3 Å²	29.3	20%	0.198	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-37.3	-179.4	0	0	0	0	0	112.3	T407 W428	T407-A409 PolarHBondContact O-N 3.02Å; A409-W428 HydrophobicContact CB-CD2 3.67Å; A409-W428 HydrophobicContact CB-CE3 3.67Å; A409-W428 HydrophobicContact CB-CG 4.26Å; A409-W428 HydrophobicContact CB-CH2 4.03Å; A409-W428 HydrophobicContact CB-CZ2 4.05Å; A409-W428 HydrophobicContact CB-CZ3 3.84Å; A409-W428 PolarHBondContact N-O 3.35Å
410	R	94.7	Very high	93.1	Very high	123 Å²	123	24.9 Å²	24.9	46%	0.464	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	175.3	-65.1	-69.6	-177	-96.5	3.1	110.9	W281 W428	W281-R410 HydrophobicContact CD2-CB 4.33Å; W281-R410 HydrophobicContact CH2-CB 3.8Å; W281-R410 HydrophobicContact CZ2-CB 3.61Å; W281-R410 HydrophobicContact CZ2-CG 4.36Å; W281-R410 HydrophobicContact CZ3-CB 4.27Å; R410-W428 HydrophobicContact CB-CB 4.34Å; R410-W428 HydrophobicContact CB-CE3 3.89Å; R410-W428 HydrophobicContact CG-CE3 3.47Å; R410-W428 VanDerWaalsContact CG-CE3 3.47Å; R410-W428 HydrophobicContact CG-CZ3 3.79Å; R410-W428 PolarHBondContact N-O 2.98Å; R410-W428 PolarHBondContact O-N 2.68Å
411	L	96.9	Very high	93	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124	176.6	176.5	65.3	0	0	0	109.3	L108 M112 H114 V116 S117 I408 M426 V427	L108-L411 HydrophobicContact CD1-CD1 4.36Å; L108-L411 HydrophobicContact CD2-CD1 4.08Å; L108-L411 HydrophobicContact CD2-CD2 4.43Å; L108-L411 HydrophobicContact CD2-CG 4.14Å; L108-L411 HydrophobicContact CG-CD1 4.26Å; L108-L411 HydrophobicContact CG-CD2 4.12Å; L108-L411 HydrophobicContact CG-CG 4.34Å; M112-L411 HydrophobicContact CB-CD2 3.69Å; M112-L411 HydrophobicContact CG-CD1 4.08Å; M112-L411 HydrophobicContact CG-CD2 3.79Å; H114-L411 HydrophobicContact CB-CD2 4.24Å; V116-L411 CarbonylContact C-O 3.41Å; V116-L411 WeakPolarHBondContact CA-O 3.48Å; V116-L411 HydrophobicContact CG2-CD2 4.09Å; V116-L411 HydrophobicContact CG2-CG 4.33Å; S117-L411 WeakPolarHBondContact CA-O 3.36Å; S117-L411 WeakPolarHBondContact CB-O 3.32Å; S117-L411 PolarHBondContact N-O 3.42Å; S117-L411 PolarHBondContact OG-N 3.4Å; S117-L411 VanDerWaalsContact OG-N 3.08Å; S117-L411 PolarHBondContact OG-O 2.97Å; I408-L411 HydrophobicContact CG2-CB 4.48Å; L411-M426 CarbonylContact C-O 3.54Å; L411-V427 HydrophobicContact CD1-CB 4.03Å; L411-V427 HydrophobicContact CD1-CG2 4.22Å
412	A	97.5	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.2	179.8	0	0	0	0	0	111	E118 I120 W281 L414 S425 M426	E118-A412 HydrophobicContact CG-CB 3.64Å; E118-A412 VanDerWaalsContact O-CA 3.27Å; E118-A412 WeakPolarHBondContact O-CA 3.16Å; I120-A412 HydrophobicContact CD1-CB 4.29Å; I120-A412 HydrophobicContact CG1-CB 4.3Å; W281-A412 HydrophobicContact CH2-CB 3.47Å; W281-A412 VanDerWaalsContact CH2-CB 3.47Å; W281-A412 HydrophobicContact CZ2-CB 4Å; W281-A412 HydrophobicContact CZ3-CB 4.43Å; A412-L414 HydrophobicContact CB-CD2 4.41Å; A412-S425 CarbonylContact O-C 3.51Å; A412-S425 VanDerWaalsContact O-CA 3.24Å; A412-S425 WeakPolarHBondContact O-CA 3.45Å; A412-M426 HydrophobicContact CB-CB 4.46Å; A412-M426 PolarHBondContact N-O 3.39Å; A412-M426 PolarHBondContact O-N 3.2Å
413	M	97.1	Very high	93	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.1	165.5	-168.2	-80.7	-73.5	0	0	108.7	Q101 K104 L108 V116 E118 V119 I120 D415 L423	Q101-M413 HydrophobicContact CB-CE 3.81Å; Q101-M413 HydrophobicContact CG-CE 3.89Å; K104-M413 HydrophobicContact CB-CE 3.95Å; K104-M413 HydrophobicContact CB-CG 4.17Å; K104-M413 HydrophobicContact CB-SD 4.11Å; K104-M413 HydrophobicContact CD-CE 4.39Å; K104-M413 HydrophobicContact CD-SD 4.19Å; L108-M413 HydrophobicContact CD2-CB 4.03Å; L108-M413 HydrophobicContact CD2-CG 4.38Å; V116-M413 HydrophobicContact CG1-CB 4.05Å; E118-M413 PolarHBondContact O-N 3.08Å; V119-M413 CarbonylContact C-O 3.57Å; V119-M413 WeakPolarHBondContact CA-O 3.27Å; V119-M413 HydrophobicContact CB-CE 4.5Å; V119-M413 HydrophobicContact CG1-CE 3.63Å; V119-M413 HydrophobicContact CG2-CB 4.4Å; V119-M413 HydrophobicContact CG2-CE 4.1Å; I120-M413 PolarHBondContact N-O 2.53Å; M413-D415 HydrophobicContact CE-CB 4.26Å; M413-D415 HydrophobicContact SD-CB 4.22Å; M413-L423 HydrophobicContact CG-CD1 3.5Å; M413-L423 VanDerWaalsContact CG-CD1 3.5Å; M413-L423 HydrophobicContact SD-CD1 4.16Å
414	L	96.7	Very high	93.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108.9	-179.8	-50.2	178.6	0	0	0	108.5	I120 M274 V387 A412 M416 E424 M426	I120-L414 HydrophobicContact CB-CD2 3.75Å; I120-L414 HydrophobicContact CD1-CD2 3.59Å; I120-L414 HydrophobicContact CG1-CD2 3.88Å; I120-L414 HydrophobicContact CG2-CD2 4.48Å; M274-L414 HydrophobicContact CG-CD1 3.96Å; M274-L414 HydrophobicContact CG-CD2 4.42Å; M274-L414 HydrophobicContact SD-CD1 3.5Å; M274-L414 VanDerWaalsContact SD-CD1 3.5Å; V387-L414 HydrophobicContact CG1-CD1 4.12Å; A412-L414 HydrophobicContact CB-CD2 4.41Å; L414-M416 PolarHBondContact O-N 2.84Å; L414-E424 HydrophobicContact CB-CB 3.84Å; L414-E424 HydrophobicContact CD1-CB 4.31Å; L414-E424 PolarHBondContact N-O 3.33Å; L414-M426 HydrophobicContact CD1-CB 4.19Å; L414-M426 HydrophobicContact CD2-CB 4.22Å; L414-M426 HydrophobicContact CG-CB 4.38Å
415	D	96.1	Very high	93.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	12%	0.116	C	C	.	.			trans	-83.4	58	178.3	-162.8	23	0	0	0	110.7	Q101 K104 I120 A121 M413 F417 P418	Q101-D415 HydrophobicContact CG-CB 4.48Å; Q101-D415 PolarHBondContact NE2-OD2 2.83Å; K104-D415 IonicContact NZ-OD1 2.66Å; K104-D415 PolarHBondContact NZ-OD1 2.87Å; I120-D415 PolarHBondContact O-N 2.94Å; A121-D415 HydrophobicContact CB-CB 4.07Å; M413-D415 HydrophobicContact CE-CB 4.26Å; M413-D415 HydrophobicContact SD-CB 4.22Å; D415-F417 VanDerWaalsContact C-N 3.33Å; D415-F417 PolarHBondContact O-N 2.85Å; D415-P418 WeakPolarHBondContact O-CD 3.28Å
416	M	94.5	Very high	94.2	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.099	C	C	.	.	S	Bend	trans	-67.1	-33.6	-175.7	-170.3	73.3	67.3	0	0	112.8	N267 V270 M274 L414 P418 E424	N267-M416 HydrophobicContact CB-CG 4.19Å; N267-M416 VanDerWaalsContact CB-O 3.28Å; N267-M416 WeakPolarHBondContact CB-O 3.26Å; N267-M416 HydrophobicContact CB-SD 3.7Å; N267-M416 PolarHBondContact ND2-O 3.17Å; V270-M416 HydrophobicContact CB-CE 4.38Å; V270-M416 HydrophobicContact CB-SD 3.81Å; V270-M416 HydrophobicContact CG1-CB 4.31Å; V270-M416 HydrophobicContact CG1-CE 3.76Å; V270-M416 HydrophobicContact CG1-SD 3.77Å; M274-M416 HydrophobicContact CE-CE 4.08Å; M274-M416 HydrophobicContact SD-CE 4Å; L414-M416 PolarHBondContact O-N 2.84Å; M416-P418 VanDerWaalsContact C-CD 3.45Å; M416-P418 WeakPolarHBondContact O-CD 3.33Å; M416-E424 WeakPolarHBondContact CB-OE2 3.39Å; M416-E424 WeakPolarHBondContact CG-OE2 3.5Å
417	F	95.3	Very high	94.5	Very high	28 Å²	28	19.5 Å²	19.5	12%	0.123	10%	0.098	C	C	.	.	S	Bend	trans	-125.4	73.6	-179	-57.9	-81.9	0	0	0	111.7	Y127 V266 D415 T420 H422 E424	Y127-F417 HydrophobicContact CE2-CD1 4.09Å; V266-F417 HydrophobicContact CB-CE1 3.6Å; V266-F417 HydrophobicContact CB-CZ 3.99Å; V266-F417 HydrophobicContact CG1-CD1 4.49Å; V266-F417 HydrophobicContact CG1-CE1 3.72Å; V266-F417 HydrophobicContact CG2-CE1 3.99Å; V266-F417 HydrophobicContact CG2-CZ 4.17Å; D415-F417 VanDerWaalsContact C-N 3.33Å; D415-F417 PolarHBondContact O-N 2.85Å; F417-T420 HydrophobicContact CB-CG2 3.99Å; F417-T420 WeakPolarHBondContact CB-OG1 3.37Å; F417-T420 WeakPolarHBondContact O-CB 3.34Å; F417-T420 PolarHBondContact O-N 2.88Å; F417-T420 PolarHBondContact O-OG1 3.12Å; F417-H422 HydrophobicContact CB-CB 4.12Å; F417-H422 HydrophobicContact CD2-CB 4Å; F417-H422 HydrophobicContact CG-CB 4.4Å; F417-E424 WeakPolarHBondContact CD2-OE1 3.34Å; F417-E424 WeakPolarHBondContact CE2-OE1 3.28Å
418	P	95.3	Very high	94.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	146.7	173.7	-26.8	35.3	0	0	0	111.6	P124 Y127 D415 M416 T420	P124-P418 HydrophobicContact CB-CB 4.18Å; Y127-P418 HydrophobicContact CD1-CB 4.46Å; Y127-P418 HydrophobicContact CD1-CG 4.19Å; Y127-P418 HydrophobicContact CE1-CB 4.06Å; Y127-P418 HydrophobicContact CE1-CG 4.11Å; Y127-P418 PolarHBondContact OH-O 3.2Å; D415-P418 WeakPolarHBondContact O-CD 3.28Å; M416-P418 VanDerWaalsContact C-CD 3.45Å; M416-P418 WeakPolarHBondContact O-CD 3.33Å; P418-T420 PolarHBondContact O-N 3.41Å
419	H	95.6	Very high	94.3	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.019	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	3.5	-175.6	-44.9	108.3	0	0	0	116	C90 Q91 Q92 Q93 Q100 P124 W125	C90-H419 CarbonylContact C-O 3.53Å; C90-H419 WeakPolarHBondContact CA-O 3.48Å; C90-H419 HydrophobicContact CB-CB 4.39Å; Q91-H419 PolarHBondContact N-O 2.95Å; Q92-H419 PolarHBondContact N-O 3.23Å; Q93-H419 HydrophobicContact CG-CB 3.71Å; Q100-H419 PolarHBondContact NE2-CD2 2.83Å; Q100-H419 VanDerWaalsContact NE2-CD2 3.34Å; Q100-H419 VanDerWaalsContact OE1-CA 3.25Å; P124-H419 PolarHBondContact O-CE1 2.83Å; P124-H419 PolarHBondContact O-ND1 3.04Å; W125-H419 AromaticContact CD2-CE1 3.5Å; W125-H419 AromaticContact CE2-CE1 3.26Å; W125-H419 AromaticContact CE2-NE2 3.49Å; W125-H419 AromaticContact CE3-CE1 3.74Å; W125-H419 AromaticContact CH2-CE1 3.64Å; W125-H419 AromaticContact CH2-ND1 3.98Å; W125-H419 AromaticContact CH2-NE2 3.71Å; W125-H419 AromaticContact CZ2-CE1 3.37Å; W125-H419 WeakPolarHBondContact CZ2-CE1 3.2Å; W125-H419 AromaticContact CZ2-NE2 3.24Å; W125-H419 WeakPolarHBondContact CZ2-NE2 3.2Å; W125-H419 AromaticContact CZ3-CE1 3.8Å; W125-H419 AromaticContact CZ3-ND1 3.9Å; W125-H419 AromaticContact NE1-CE1 3.76Å; W125-H419 AromaticContact NE1-NE2 3.91Å
420	T	93.1	Very high	94	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	-112.2	162.6	176.1	80.3	0	0	0	0	111.5	G89 K104 F417 P418 H422	G89-T420 WeakPolarHBondContact O-CG2 3.33Å; K104-T420 VanDerWaalsContact CE-O 3.3Å; K104-T420 WeakPolarHBondContact CE-O 3.31Å; K104-T420 PolarHBondContact NZ-O 2.89Å; F417-T420 HydrophobicContact CB-CG2 3.99Å; F417-T420 WeakPolarHBondContact CB-OG1 3.37Å; F417-T420 WeakPolarHBondContact O-CB 3.34Å; F417-T420 PolarHBondContact O-N 2.88Å; F417-T420 PolarHBondContact O-OG1 3.12Å; P418-T420 PolarHBondContact O-N 3.41Å; T420-H422 PolarHBondContact O-N 3.03Å; T420-H422 WeakPolarHBondContact OG1-CB 3.31Å; T420-H422 PolarHBondContact OG1-CD2 3.22Å; T420-H422 PolarHBondContact OG1-N 3.36Å
421	G	89.1	Confident	93.2	Very high	13 Å²	13	14.2 Å²	14.2	13%	0.134	7%	0.07	C	C	.	.	S	Bend	trans	-79.7	9.9	172.6	0	0	0	0	0	115	S26	S26-G421 CarbonylContact O-C 3.55Å; S26-G421 WeakPolarHBondContact O-CA 3.45Å; S26-G421 VanDerWaalsContact O-O 3.1Å
422	H	90.8	Very high	91.2	Very high	96 Å²	96	20.8 Å²	20.8	44%	0.444	10%	0.1	S	C	.	.			trans	-70.8	136	173.6	-71.3	-79.7	0	0	0	110.3	K104 F417 T420	K104-H422 VanDerWaalsContact CE-O 3.23Å; K104-H422 WeakPolarHBondContact CE-O 3.49Å; K104-H422 PolarHBondContact NZ-O 3.34Å; F417-H422 HydrophobicContact CB-CB 4.12Å; F417-H422 HydrophobicContact CD2-CB 4Å; F417-H422 HydrophobicContact CG-CB 4.4Å; T420-H422 PolarHBondContact O-N 3.03Å; T420-H422 WeakPolarHBondContact OG1-CB 3.31Å; T420-H422 PolarHBondContact OG1-CD2 3.22Å; T420-H422 PolarHBondContact OG1-N 3.36Å
423	L	91.5	Very high	88.8	Confident	10 Å²	10	28.3 Å²	28.3	5%	0.052	13%	0.129	C	C	.	.			trans	-128	98.4	178.5	175.1	49.6	0	0	0	108	K104 A107 L108 P391 M413	K104-L423 HydrophobicContact CB-CD1 3.84Å; K104-L423 HydrophobicContact CD-CD1 4.47Å; K104-L423 HydrophobicContact CG-CD1 4.26Å; A107-L423 HydrophobicContact CB-CD2 4.18Å; L108-L423 HydrophobicContact CB-CD2 4.32Å; P391-L423 HydrophobicContact CB-CD2 4.44Å; P391-L423 HydrophobicContact CG-CB 4.48Å; P391-L423 HydrophobicContact CG-CD2 3.89Å; P391-L423 HydrophobicContact CG-CG 4.06Å; M413-L423 HydrophobicContact CG-CD1 3.5Å; M413-L423 VanDerWaalsContact CG-CD1 3.5Å; M413-L423 HydrophobicContact SD-CD1 4.16Å
424	E	94	Very high	85.6	Confident	19 Å²	19	33 Å²	33	9%	0.089	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	152.6	172.2	-80.1	142.6	-131.1	0	0	110.5	S388 C389 L414 M416 F417	S388-E424 CarbonylContact O-C 3.56Å; S388-E424 WeakPolarHBondContact O-CA 3.45Å; C389-E424 HydrophobicContact CB-CG 3.9Å; L414-E424 HydrophobicContact CB-CB 3.84Å; L414-E424 HydrophobicContact CD1-CB 4.31Å; L414-E424 PolarHBondContact N-O 3.33Å; M416-E424 WeakPolarHBondContact CB-OE2 3.39Å; M416-E424 WeakPolarHBondContact CG-OE2 3.5Å; F417-E424 WeakPolarHBondContact CD2-OE1 3.34Å; F417-E424 WeakPolarHBondContact CE2-OE1 3.28Å
425	S	96.1	Very high	82.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.9	-169.8	48.8	0	0	0	0	110.3	S388 L394 A412	S388-S425 PolarHBondContact N-O 2.95Å; S388-S425 PolarHBondContact O-N 3.33Å; S388-S425 PolarHBondContact O-OG 3.43Å; L394-S425 VanDerWaalsContact CD2-OG 3.24Å; L394-S425 WeakPolarHBondContact CD2-OG 3.22Å; A412-S425 CarbonylContact O-C 3.51Å; A412-S425 VanDerWaalsContact O-CA 3.24Å; A412-S425 WeakPolarHBondContact O-CA 3.45Å
426	M	97.1	Very high	79.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.9	173.5	-173	169.3	65	0	0	108.2	I120 M274 R277 A278 W281 V385 Y386 V387 L411 A412 L414	I120-M426 HydrophobicContact CD1-CE 3.91Å; M274-M426 HydrophobicContact CG-SD 4.27Å; R277-M426 HydrophobicContact CB-CE 3.97Å; R277-M426 HydrophobicContact CG-CE 3.86Å; A278-M426 HydrophobicContact CB-SD 3.82Å; W281-M426 HydrophobicContact CD2-CE 4.11Å; W281-M426 HydrophobicContact CE3-CE 3.68Å; W281-M426 HydrophobicContact CE3-CG 4.03Å; W281-M426 HydrophobicContact CE3-SD 4.31Å; W281-M426 HydrophobicContact CH2-CE 4Å; W281-M426 HydrophobicContact CZ2-CE 4.34Å; W281-M426 HydrophobicContact CZ3-CB 4.05Å; W281-M426 HydrophobicContact CZ3-CE 3.65Å; W281-M426 HydrophobicContact CZ3-CG 3.67Å; W281-M426 WeakPolarHBondContact CZ3-O 3.45Å; W281-M426 HydrophobicContact CZ3-SD 4.35Å; V385-M426 HydrophobicContact CG1-CG 3.72Å; V385-M426 HydrophobicContact CG1-SD 3.8Å; Y386-M426 CarbonylContact O-C 3.55Å; Y386-M426 WeakPolarHBondContact O-CA 3.3Å; V387-M426 HydrophobicContact CG2-CB 4.44Å; V387-M426 HydrophobicContact CG2-CG 3.88Å; V387-M426 HydrophobicContact CG2-SD 3.89Å; L411-M426 CarbonylContact C-O 3.54Å; A412-M426 HydrophobicContact CB-CB 4.46Å; A412-M426 PolarHBondContact N-O 3.39Å; A412-M426 PolarHBondContact O-N 3.2Å; L414-M426 HydrophobicContact CD1-CB 4.19Å; L414-M426 HydrophobicContact CD2-CB 4.22Å; L414-M426 HydrophobicContact CG-CB 4.38Å
427	V	96.2	Very high	76.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	176.8	68.5	0	0	0	0	109.5	M112 V385 Y386 L394 I408 L411	M112-V427 HydrophobicContact CE-CG2 4.27Å; V385-V427 WeakPolarHBondContact CA-O 3.41Å; Y386-V427 PolarHBondContact N-O 2.96Å; Y386-V427 PolarHBondContact O-N 3.18Å; L394-V427 HydrophobicContact CD1-CG1 3.73Å; L394-V427 HydrophobicContact CD2-CG1 4.47Å; L394-V427 HydrophobicContact CG-CG1 4.49Å; I408-V427 HydrophobicContact CB-CG2 4.32Å; I408-V427 HydrophobicContact CD1-CG2 4.35Å; I408-V427 HydrophobicContact CG1-CG2 3.96Å; I408-V427 HydrophobicContact CG2-CG2 3.58Å; L411-V427 HydrophobicContact CD1-CB 4.03Å; L411-V427 HydrophobicContact CD1-CG2 4.22Å
428	W	93.3	Very high	73.4	Confident	36 Å²	36	43.9 Å²	43.9	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.9	168.8	166.8	35.5	0	0	0	108.8	W281 R383 I384 V385 A409 R410 L430	W281-W428 HydrophobicContact CB-CB 4.15Å; W281-W428 HydrophobicContact CB-CD2 4.25Å; W281-W428 HydrophobicContact CB-CE3 4.35Å; W281-W428 HydrophobicContact CB-CG 4.15Å; W281-W428 HydrophobicContact CD2-CB 3.95Å; W281-W428 HydrophobicContact CE3-CB 3.46Å; W281-W428 VanDerWaalsContact CE3-CB 3.46Å; W281-W428 HydrophobicContact CG-CB 4.29Å; W281-W428 HydrophobicContact CG-CE3 4.27Å; W281-W428 HydrophobicContact CZ3-CB 4.02Å; R383-W428 VanDerWaalsContact NH1-CZ2 3.26Å; I384-W428 CarbonylContact O-C 3.5Å; I384-W428 WeakPolarHBondContact O-CA 3.27Å; V385-W428 HydrophobicContact CG2-CB 4.21Å; V385-W428 HydrophobicContact CG2-CG 4.49Å; A409-W428 HydrophobicContact CB-CD2 3.67Å; A409-W428 HydrophobicContact CB-CE3 3.67Å; A409-W428 HydrophobicContact CB-CG 4.26Å; A409-W428 HydrophobicContact CB-CH2 4.03Å; A409-W428 HydrophobicContact CB-CZ2 4.05Å; A409-W428 HydrophobicContact CB-CZ3 3.84Å; A409-W428 PolarHBondContact N-O 3.35Å; R410-W428 HydrophobicContact CB-CB 4.34Å; R410-W428 HydrophobicContact CB-CE3 3.89Å; R410-W428 HydrophobicContact CG-CE3 3.47Å; R410-W428 VanDerWaalsContact CG-CE3 3.47Å; R410-W428 HydrophobicContact CG-CZ3 3.79Å; R410-W428 PolarHBondContact N-O 2.98Å; R410-W428 PolarHBondContact O-N 2.68Å; W428-L430 HydrophobicContact CZ2-CD1 3.84Å
429	S	86.8	Confident	71.4	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.2	175.5	-52.7	0	0	0	0	111.3	R383 I384 T407	R383-S429 WeakPolarHBondContact CA-O 3.36Å; I384-S429 PolarHBondContact N-O 3.2Å; I384-S429 PolarHBondContact O-N 3.13Å; T407-S429 CarbonylContact O-C 3.52Å; T407-S429 WeakPolarHBondContact O-CA 3.29Å
430	L	86.7	Confident	69.2	Low	47 Å²	47	45.9 Å²	45.9	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.4	-179	-170.7	122.8	0	0	0	110	I382 R383 Y406 T407 W428	I382-L430 WeakPolarHBondContact O-CA 3.38Å; R383-L430 HydrophobicContact CG-CD1 4.02Å; Y406-L430 CarbonylContact C-O 3.56Å; Y406-L430 VanDerWaalsContact CA-O 3.3Å; Y406-L430 WeakPolarHBondContact CA-O 3.13Å; T407-L430 PolarHBondContact N-O 3.2Å; T407-L430 PolarHBondContact O-N 3.47Å; T407-L430 PolarHBondContact OG1-O 2.9Å; W428-L430 HydrophobicContact CZ2-CD1 3.84Å
431	K	77.3	Confident	67.1	Low	31 Å²	31	46 Å²	46	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.9	170.5	-159.1	172.1	-176.5	179.6	0	107.8	E380 I382 Y406 R433	E380-K431 IonicContact OE1-NZ 3.06Å; E380-K431 PolarHBondContact OE1-NZ 3.14Å; I382-K431 PolarHBondContact O-N 2.95Å; I382-K431 VanDerWaalsContact O-N 3.07Å; Y406-K431 HydrophobicContact CD1-CB 3.82Å; Y406-K431 HydrophobicContact CE1-CB 3.56Å; Y406-K431 HydrophobicContact CE1-CD 4.44Å; Y406-K431 HydrophobicContact CE1-CG 4.35Å; Y406-K431 HydrophobicContact CE2-CB 4.37Å; Y406-K431 HydrophobicContact CE2-CD 3.96Å; Y406-K431 HydrophobicContact CE2-CG 4.29Å; Y406-K431 HydrophobicContact CG-CB 4.31Å; K431-R433 PolarHBondContact O-N 3.39Å
432	E	55.4	Low	65.2	Low	138 Å²	138	48.8 Å²	48.8	65%	0.645	25%	0.25	S	S	*	.			trans	-63.7	111.8	165.2	-77.3	-177.7	-176	0	0	106.8	T434	E432-T434 PolarHBondContact O-N 2.94Å
433	R	46.4	Very low	63.3	Low	157 Å²	157	50 Å²	50	59%	0.592	26%	0.259	S	S	*	.			trans	-56.4	115.4	164.5	-78.7	-178.8	173.6	177.8	1.7	105	K431 M435	K431-R433 PolarHBondContact O-N 3.39Å; R433-M435 HydrophobicContact CB-CE 3.71Å; R433-M435 HydrophobicContact CB-CG 3.63Å; R433-M435 HydrophobicContact CB-SD 4.4Å; R433-M435 HydrophobicContact CG-CE 4.37Å; R433-M435 PolarHBondContact O-N 2.8Å
434	T	31.4	Very low	61.2	Low	99 Å²	99	52.6 Å²	52.6	61%	0.607	27%	0.273	S	S	*	.			trans	-57.8	84	157.6	28.6	0	0	0	0	106.2	E432 R656	E432-T434 PolarHBondContact O-N 2.94Å; T434-R656 VanDerWaalsContact CG2-NH2 3.33Å; T434-R656 VanDerWaalsContact OG1-CZ 3.28Å; T434-R656 PolarHBondContact OG1-NH1 2.97Å; T434-R656 PolarHBondContact OG1-NH2 3.28Å
435	M	26.7	Very low	59.1	Low	79 Å²	79	59.8 Å²	59.8	39%	0.389	30%	0.304	S	S	.	.			trans	-89.9	148.2	163.8	-51.3	-167.1	-134.6	0	0	105.5	R433 A437 V438	R433-M435 HydrophobicContact CB-CE 3.71Å; R433-M435 HydrophobicContact CB-CG 3.63Å; R433-M435 HydrophobicContact CB-SD 4.4Å; R433-M435 HydrophobicContact CG-CE 4.37Å; R433-M435 PolarHBondContact O-N 2.8Å; M435-A437 PolarHBondContact O-N 2.82Å; M435-V438 HydrophobicContact CB-CB 4.34Å; M435-V438 HydrophobicContact CB-CG2 3.67Å; M435-V438 HydrophobicContact CE-CB 3.75Å; M435-V438 HydrophobicContact CE-CG1 3.32Å; M435-V438 HydrophobicContact CE-CG2 3.16Å; M435-V438 HydrophobicContact CG-CB 4.37Å; M435-V438 HydrophobicContact CG-CG2 3.55Å; M435-V438 HydrophobicContact SD-CB 3.72Å; M435-V438 HydrophobicContact SD-CG1 3.32Å; M435-V438 WeakPolarHBondContact SD-CG1 3.35Å; M435-V438 HydrophobicContact SD-CG2 3.4Å; M435-V438 WeakPolarHBondContact SD-CG2 3.46Å
436	V	31.1	Very low	56.7	Low	82 Å²	82	62.3 Å²	62.3	50%	0.497	33%	0.325	S	S	.	.	S	Bend	trans	-33.9	113.1	137.3	-177.8	0	0	0	0	106.2	V438 E631	V436-V438 PolarHBondContact O-N 3.12Å; V436-E631 HydrophobicContact CG1-CG 4.43Å
437	A	31	Very low	54.2	Low	47 Å²	47	66 Å²	66	39%	0.388	36%	0.362	S	S	.	.			trans	-22.2	107	-163.1	0	0	0	0	0	110.9	M435 R439	M435-A437 PolarHBondContact O-N 2.82Å; A437-R439 VanDerWaalsContact O-CG 3.32Å; A437-R439 WeakPolarHBondContact O-CG 3.2Å; A437-R439 PolarHBondContact O-N 3.11Å
438	V	35.8	Very low	52.1	Low	56 Å²	56	73.1 Å²	73.1	34%	0.339	40%	0.396	S	S	.	.			trans	-58.1	109.9	178	-155.9	0	0	0	0	105	M435 V436 H442 I443	M435-V438 HydrophobicContact CB-CB 4.34Å; M435-V438 HydrophobicContact CB-CG2 3.67Å; M435-V438 HydrophobicContact CE-CB 3.75Å; M435-V438 HydrophobicContact CE-CG1 3.32Å; M435-V438 HydrophobicContact CE-CG2 3.16Å; M435-V438 HydrophobicContact CG-CB 4.37Å; M435-V438 HydrophobicContact CG-CG2 3.55Å; M435-V438 HydrophobicContact SD-CB 3.72Å; M435-V438 HydrophobicContact SD-CG1 3.32Å; M435-V438 WeakPolarHBondContact SD-CG1 3.35Å; M435-V438 HydrophobicContact SD-CG2 3.4Å; M435-V438 WeakPolarHBondContact SD-CG2 3.46Å; V436-V438 PolarHBondContact O-N 3.12Å; V438-H442 HydrophobicContact CG1-CB 3.78Å; V438-I443 HydrophobicContact CG1-CD1 3.84Å; V438-I443 HydrophobicContact CG1-CG1 3.76Å
439	R	53.7	Low	50.5	Low	12 Å²	12	73.2 Å²	73.2	5%	0.045	40%	0.397	C	S	.	.			trans	-91	152.7	170.7	-50.2	-177.1	171.8	109	5	106.3	A437 A441 H442 E498 R595 E631	A437-R439 VanDerWaalsContact O-CG 3.32Å; A437-R439 WeakPolarHBondContact O-CG 3.2Å; A437-R439 PolarHBondContact O-N 3.11Å; R439-A441 PolarHBondContact O-N 3.4Å; R439-H442 PolarHBondContact N-ND1 3Å; R439-H442 VanDerWaalsContact N-ND1 3.15Å; R439-H442 VanDerWaalsContact O-CB 3.24Å; R439-H442 WeakPolarHBondContact O-CB 3.36Å; R439-H442 PolarHBondContact O-N 2.79Å; R439-E498 HydrophobicContact CB-CB 3.96Å; R439-E498 HydrophobicContact CB-CG 4.47Å; R439-E498 WeakPolarHBondContact CB-OE2 3.49Å; R439-E498 HydrophobicContact CG-CB 4.3Å; R439-R595 VanDerWaalsContact NH1-CZ 3.27Å; R439-R595 VanDerWaalsContact NH1-NH1 3.16Å; R439-E631 IonicContact CZ-OE1 2.68Å; R439-E631 IonicContact CZ-OE2 2.88Å; R439-E631 IonicContact NH1-OE1 3.14Å; R439-E631 PolarHBondContact NH1-OE1 3.39Å; R439-E631 IonicContact NH1-OE2 2.87Å; R439-E631 IonicContact NH2-OE1 2.91Å; R439-E631 IonicContact NH2-OE2 2.68Å; R439-E631 PolarHBondContact NH2-OE2 3.11Å
440	S	49.6	Very low	49.6	Very low	35 Å²	35	75.9 Å²	75.9	25%	0.245	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29.5	-176.4	26.1	0	0	0	0	112.9	H442 I443 N444 E498	S440-H442 PolarHBondContact O-N 2.91Å; S440-H442 VanDerWaalsContact O-N 3.1Å; S440-I443 PolarHBondContact O-N 3.05Å; S440-N444 PolarHBondContact O-N 2.86Å; S440-N444 VanDerWaalsContact O-N 3.08Å; S440-E498 WeakPolarHBondContact CB-OE1 3.49Å; S440-E498 PolarHBondContact N-OE2 2.84Å; S440-E498 VanDerWaalsContact OG-CD 3.3Å; S440-E498 PolarHBondContact OG-OE1 3.45Å
441	A	49.3	Very low	48.8	Very low	8 Å²	8	75.6 Å²	75.6	7%	0.066	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-60.7	-14.1	172.6	0	0	0	0	0	114.8	R439 W491 V494 E495 E498	R439-A441 PolarHBondContact O-N 3.4Å; A441-W491 PolarHBondContact O-NE1 2.66Å; A441-V494 HydrophobicContact CB-CG1 4.3Å; A441-E495 HydrophobicContact CB-CB 4.45Å; A441-E498 WeakPolarHBondContact CB-OE2 3.48Å; A441-E498 PolarHBondContact N-OE1 2.9Å; A441-E498 VanDerWaalsContact N-OE1 3.15Å; A441-E498 PolarHBondContact N-OE2 3.39Å
442	H	49.9	Very low	48.5	Very low	70 Å²	70	81.8 Å²	81.8	32%	0.324	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-86	-21.3	174.9	-59.7	165.2	0	0	0	113.6	V438 R439 S440 E495 R595	V438-H442 HydrophobicContact CG1-CB 3.78Å; R439-H442 PolarHBondContact N-ND1 3Å; R439-H442 VanDerWaalsContact N-ND1 3.15Å; R439-H442 VanDerWaalsContact O-CB 3.24Å; R439-H442 WeakPolarHBondContact O-CB 3.36Å; R439-H442 PolarHBondContact O-N 2.79Å; S440-H442 PolarHBondContact O-N 2.91Å; S440-H442 VanDerWaalsContact O-N 3.1Å; H442-E495 IonicContact NE2-OE1 3.23Å; H442-R595 PolarHBondContact CE1-NH1 2.97Å; H442-R595 VanDerWaalsContact NE2-CZ 3.35Å; H442-R595 PolarHBondContact NE2-NH1 2.88Å
443	I	49.6	Very low	49.3	Very low	123 Å²	123	82.2 Å²	82.2	63%	0.631	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-43.2	-176	-58.3	170.6	0	0	0	109.8	V438 S440	V438-I443 HydrophobicContact CG1-CD1 3.84Å; V438-I443 HydrophobicContact CG1-CG1 3.76Å; S440-I443 PolarHBondContact O-N 3.05Å
444	N	48.1	Very low	50.9	Low	63 Å²	63	75.2 Å²	75.2	34%	0.337	42%	0.415	S	S	.	.	S	Bend	trans	-101.2	131.5	-173.1	-60.2	-21.4	0	0	0	111	S440 F449	S440-N444 PolarHBondContact O-N 2.86Å; S440-N444 VanDerWaalsContact O-N 3.08Å; N444-F449 HydrophobicContact CB-CD2 4.41Å
445	K	50	Low	53.2	Low	170 Å²	170	70.9 Å²	70.9	74%	0.739	39%	0.388	S	S	*	.			trans	-72.4	147.3	169.3	-71.5	179.2	-178.4	171.9	0	109.9	G447 E448	K445-G447 PolarHBondContact O-N 3.4Å; K445-E448 PolarHBondContact O-N 3.45Å
446	A	45.6	Very low	55.5	Low	54 Å²	54	70.7 Å²	70.7	45%	0.446	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	98.6	172.8	0	0	0	0	0	109.7	W491	A446-W491 HydrophobicContact CB-CB 4.31Å
447	G	44.6	Very low	57.7	Low	76 Å²	76	70.4 Å²	70.4	78%	0.784	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	148.6	-25.8	-173.4	0	0	0	0	0	114.3	K445 F449	K445-G447 PolarHBondContact O-N 3.4Å; G447-F449 VanDerWaalsContact C-N 3.35Å
448	E	51.5	Low	59.8	Low	151 Å²	151	69.4 Å²	69.4	71%	0.706	39%	0.389	S	S	*	.	S	Bend	trans	-99.9	17.3	175	-68.6	177	167.7	0	0	112.3	K445	K445-E448 PolarHBondContact O-N 3.45Å
449	F	60.8	Low	61.3	Low	37 Å²	37	69.6 Å²	69.6	16%	0.162	40%	0.402	C	S	.	.			trans	-95.3	115.7	-163.1	-152.3	-100.3	0	0	0	111.2	N444 G447 P451 W454 W473 V494	N444-F449 HydrophobicContact CB-CD2 4.41Å; G447-F449 VanDerWaalsContact C-N 3.35Å; F449-P451 VanDerWaalsContact O-CD 3.31Å; F449-P451 WeakPolarHBondContact O-CD 3.37Å; F449-W454 HydrophobicContact CD1-CB 4.1Å; F449-W454 HydrophobicContact CD1-CG 4.41Å; F449-W454 HydrophobicContact CE1-CB 3.3Å; F449-W454 AromaticContact CE1-CD1 3.86Å; F449-W454 AromaticContact CE1-CD2 3.41Å; F449-W454 HydrophobicContact CE1-CD2 3.41Å; F449-W454 VanDerWaalsContact CE1-CD2 3.41Å; F449-W454 AromaticContact CE1-CE3 3.73Å; F449-W454 HydrophobicContact CE1-CE3 3.73Å; F449-W454 AromaticContact CE1-CG 3.22Å; F449-W454 HydrophobicContact CE1-CG 3.22Å; F449-W454 HydrophobicContact CE2-CB 4.33Å; F449-W454 AromaticContact CE2-CD1 3.97Å; F449-W454 HydrophobicContact CE2-CG 4.11Å; F449-W454 HydrophobicContact CZ-CB 3.48Å; F449-W454 VanDerWaalsContact CZ-CB 3.48Å; F449-W454 AromaticContact CZ-CD1 3.18Å; F449-W454 AromaticContact CZ-CD2 3.44Å; F449-W454 HydrophobicContact CZ-CD2 3.44Å; F449-W454 VanDerWaalsContact CZ-CD2 3.44Å; F449-W454 AromaticContact CZ-CE2 3.73Å; F449-W454 HydrophobicContact CZ-CE3 4.21Å; F449-W454 AromaticContact CZ-CG 3.06Å; F449-W454 HydrophobicContact CZ-CG 3.06Å; F449-W454 AromaticContact CZ-NE1 3.52Å; F449-W473 HydrophobicContact CD1-CZ2 4.37Å; F449-V494 HydrophobicContact CE1-CG1 4.42Å; F449-V494 HydrophobicContact CE1-CG2 4.4Å; F449-V494 HydrophobicContact CE2-CG1 4.08Å; F449-V494 HydrophobicContact CZ-CG1 3.58Å; F449-V494 HydrophobicContact CZ-CG2 4.31Å
450	D	67	Low	62.2	Low	59 Å²	59	70.9 Å²	70.9	32%	0.316	41%	0.41	S	S	.	.			trans	-89	106.2	169.2	-178.1	-22.3	0	0	0	108.4	E452 K453 W454	D450-E452 VanDerWaalsContact C-N 3.27Å; D450-E452 PolarHBondContact O-N 3.13Å; D450-E452 PolarHBondContact OD1-N 2.8Å; D450-E452 VanDerWaalsContact OD1-N 3.15Å; D450-K453 HydrophobicContact CB-CB 4.05Å; D450-K453 HydrophobicContact CB-CD 4.03Å; D450-K453 HydrophobicContact CB-CG 4.14Å; D450-K453 PolarHBondContact O-N 3.06Å; D450-K453 PolarHBondContact OD1-N 2.86Å; D450-K453 WeakPolarHBondContact OD2-CD 3.46Å; D450-K453 VanDerWaalsContact OD2-CE 3.22Å; D450-K453 WeakPolarHBondContact OD2-CE 3.33Å; D450-K453 WeakPolarHBondContact OD2-CG 3.48Å; D450-K453 IonicContact OD2-NZ 2.67Å; D450-K453 PolarHBondContact OD2-NZ 2.91Å; D450-W454 PolarHBondContact O-N 2.84Å
451	P	69.3	Low	63	Low	41 Å²	41	76.5 Å²	76.5	27%	0.266	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-30.9	-173.6	24.5	-32.5	0	0	0	112.9	F449 W454 I455 W473	F449-P451 VanDerWaalsContact O-CD 3.31Å; F449-P451 WeakPolarHBondContact O-CD 3.37Å; P451-W454 PolarHBondContact O-N 2.82Å; P451-I455 WeakPolarHBondContact O-CB 3.47Å; P451-I455 WeakPolarHBondContact O-CD1 3.44Å; P451-I455 WeakPolarHBondContact O-CG1 3.43Å; P451-I455 PolarHBondContact O-N 2.7Å; P451-W473 HydrophobicContact CB-CG 4.24Å
452	E	70.8	Confident	64.3	Low	160 Å²	160	78.6 Å²	78.6	75%	0.748	46%	0.456	S	S	*	.	H	α-helix	trans	-66.9	-44.9	176.5	-69.3	-171.7	174.1	0	0	110.7	D450 I455 A456	D450-E452 VanDerWaalsContact C-N 3.27Å; D450-E452 PolarHBondContact O-N 3.13Å; D450-E452 PolarHBondContact OD1-N 2.8Å; D450-E452 VanDerWaalsContact OD1-N 3.15Å; E452-I455 PolarHBondContact O-N 2.94Å; E452-A456 WeakPolarHBondContact O-CB 3.47Å; E452-A456 PolarHBondContact O-N 3.31Å
453	K	74.2	Confident	65.6	Low	148 Å²	148	82.2 Å²	82.2	64%	0.643	47%	0.474	S	S	*	.	H	α-helix	trans	-65.2	-39.6	176	-70.4	-177.7	-172.5	121.9	0	112.1	D450 A456 S457	D450-K453 HydrophobicContact CB-CB 4.05Å; D450-K453 HydrophobicContact CB-CD 4.03Å; D450-K453 HydrophobicContact CB-CG 4.14Å; D450-K453 PolarHBondContact O-N 3.06Å; D450-K453 PolarHBondContact OD1-N 2.86Å; D450-K453 WeakPolarHBondContact OD2-CD 3.46Å; D450-K453 VanDerWaalsContact OD2-CE 3.22Å; D450-K453 WeakPolarHBondContact OD2-CE 3.33Å; D450-K453 WeakPolarHBondContact OD2-CG 3.48Å; D450-K453 IonicContact OD2-NZ 2.67Å; D450-K453 PolarHBondContact OD2-NZ 2.91Å; K453-A456 PolarHBondContact O-N 3.03Å; K453-S457 PolarHBondContact O-N 2.95Å
454	W	79.1	Confident	67.2	Low	9 Å²	9	83.6 Å²	83.6	3%	0.034	48%	0.475	C	S	.	.	H	α-helix	trans	-64	-49.6	176.8	172.4	67.5	0	0	0	111.6	F449 D450 P451 A456 S457 L458 L469 V494 V497 E498 L514	F449-W454 HydrophobicContact CD1-CB 4.1Å; F449-W454 HydrophobicContact CD1-CG 4.41Å; F449-W454 HydrophobicContact CE1-CB 3.3Å; F449-W454 AromaticContact CE1-CD1 3.86Å; F449-W454 AromaticContact CE1-CD2 3.41Å; F449-W454 HydrophobicContact CE1-CD2 3.41Å; F449-W454 VanDerWaalsContact CE1-CD2 3.41Å; F449-W454 AromaticContact CE1-CE3 3.73Å; F449-W454 HydrophobicContact CE1-CE3 3.73Å; F449-W454 AromaticContact CE1-CG 3.22Å; F449-W454 HydrophobicContact CE1-CG 3.22Å; F449-W454 HydrophobicContact CE2-CB 4.33Å; F449-W454 AromaticContact CE2-CD1 3.97Å; F449-W454 HydrophobicContact CE2-CG 4.11Å; F449-W454 HydrophobicContact CZ-CB 3.48Å; F449-W454 VanDerWaalsContact CZ-CB 3.48Å; F449-W454 AromaticContact CZ-CD1 3.18Å; F449-W454 AromaticContact CZ-CD2 3.44Å; F449-W454 HydrophobicContact CZ-CD2 3.44Å; F449-W454 VanDerWaalsContact CZ-CD2 3.44Å; F449-W454 AromaticContact CZ-CE2 3.73Å; F449-W454 HydrophobicContact CZ-CE3 4.21Å; F449-W454 AromaticContact CZ-CG 3.06Å; F449-W454 HydrophobicContact CZ-CG 3.06Å; F449-W454 AromaticContact CZ-NE1 3.52Å; D450-W454 PolarHBondContact O-N 2.84Å; P451-W454 PolarHBondContact O-N 2.82Å; W454-A456 VanDerWaalsContact C-N 3.27Å; W454-A456 PolarHBondContact O-N 3.41Å; W454-S457 WeakPolarHBondContact O-CA 3.37Å; W454-S457 WeakPolarHBondContact O-CB 3.47Å; W454-S457 PolarHBondContact O-N 3.45Å; W454-S457 PolarHBondContact O-OG 2.63Å; W454-L458 HydrophobicContact CD2-CD1 4.32Å; W454-L458 HydrophobicContact CE3-CD1 4.49Å; W454-L458 HydrophobicContact CH2-CD1 4.12Å; W454-L458 HydrophobicContact CZ2-CD1 3.95Å; W454-L458 HydrophobicContact CZ2-CD2 4.35Å; W454-L458 HydrophobicContact CZ3-CD1 4.38Å; W454-L458 PolarHBondContact O-N 2.8Å; W454-L469 HydrophobicContact CZ3-CD2 4.43Å; W454-V494 HydrophobicContact CZ2-CB 4.36Å; W454-V494 HydrophobicContact CZ2-CG1 3.82Å; W454-V494 HydrophobicContact CZ2-CG2 4.47Å; W454-V497 HydrophobicContact CH2-CB 3.81Å; W454-V497 HydrophobicContact CH2-CG1 3.46Å; W454-V497 VanDerWaalsContact CH2-CG1 3.46Å; W454-V497 HydrophobicContact CH2-CG2 4.26Å; W454-V497 HydrophobicContact CZ2-CB 3.79Å; W454-V497 HydrophobicContact CZ2-CG1 3.46Å; W454-V497 VanDerWaalsContact CZ2-CG1 3.46Å; W454-E498 HydrophobicContact CZ2-CG 4.24Å; W454-E498 PolarHBondContact NE1-OE1 3.32Å; W454-L514 HydrophobicContact CH2-CD2 4.12Å
455	I	80.4	Confident	68.9	Low	8 Å²	8	81.8 Å²	81.8	4%	0.041	47%	0.467	C	S	.	.	H	α-helix	trans	-60.5	-40.1	178.6	-67.9	168.2	0	0	0	110.7	P451 E452 S457 L458 C466 L469 A470	P451-I455 WeakPolarHBondContact O-CB 3.47Å; P451-I455 WeakPolarHBondContact O-CD1 3.44Å; P451-I455 WeakPolarHBondContact O-CG1 3.43Å; P451-I455 PolarHBondContact O-N 2.7Å; E452-I455 PolarHBondContact O-N 2.94Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 2.92Å; I455-L458 WeakPolarHBondContact O-CB 3.34Å; I455-L458 PolarHBondContact O-N 3.02Å; I455-C466 HydrophobicContact CG2-CB 3.64Å; I455-L469 HydrophobicContact CD1-CB 4.35Å; I455-L469 HydrophobicContact CG1-CD2 4.2Å; I455-L469 HydrophobicContact CG1-CG 4.48Å; I455-A470 VanDerWaalsContact CD1-CA 3.44Å; I455-A470 HydrophobicContact CD1-CB 3.52Å
456	A	75.1	Confident	70.5	Confident	75 Å²	75	75.1 Å²	75.1	62%	0.62	44%	0.442	S	S	*	.	H	α-helix	trans	-60.9	-35.7	173.8	0	0	0	0	0	112.5	E452 K453 W454 L458 G459	E452-A456 WeakPolarHBondContact O-CB 3.47Å; E452-A456 PolarHBondContact O-N 3.31Å; K453-A456 PolarHBondContact O-N 3.03Å; W454-A456 VanDerWaalsContact C-N 3.27Å; W454-A456 PolarHBondContact O-N 3.41Å; A456-L458 VanDerWaalsContact C-N 3.28Å; A456-L458 PolarHBondContact O-N 3.35Å; A456-G459 PolarHBondContact O-N 3.39Å
457	S	76.6	Confident	72.4	Confident	77 Å²	77	77.7 Å²	77.7	54%	0.538	44%	0.444	S	S	.	.	H	α-helix	trans	-69.6	-21.6	177.8	80.8	0	0	0	0	114	K453 W454 I455 G459	K453-S457 PolarHBondContact O-N 2.95Å; W454-S457 WeakPolarHBondContact O-CA 3.37Å; W454-S457 WeakPolarHBondContact O-CB 3.47Å; W454-S457 PolarHBondContact O-N 3.45Å; W454-S457 PolarHBondContact O-OG 2.63Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 2.92Å; S457-G459 PolarHBondContact O-N 2.97Å
458	L	75.5	Confident	74.4	Confident	25 Å²	25	75.4 Å²	75.4	13%	0.131	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.2	178.9	-60.6	174.7	0	0	0	113.2	W454 I455 A456 I460 L469 V497 E498	W454-L458 HydrophobicContact CD2-CD1 4.32Å; W454-L458 HydrophobicContact CE3-CD1 4.49Å; W454-L458 HydrophobicContact CH2-CD1 4.12Å; W454-L458 HydrophobicContact CZ2-CD1 3.95Å; W454-L458 HydrophobicContact CZ2-CD2 4.35Å; W454-L458 HydrophobicContact CZ3-CD1 4.38Å; W454-L458 PolarHBondContact O-N 2.8Å; I455-L458 WeakPolarHBondContact O-CB 3.34Å; I455-L458 PolarHBondContact O-N 3.02Å; A456-L458 VanDerWaalsContact C-N 3.28Å; A456-L458 PolarHBondContact O-N 3.35Å; L458-I460 VanDerWaalsContact C-N 3.31Å; L458-I460 HydrophobicContact CB-CD1 4.08Å; L458-I460 HydrophobicContact CB-CG1 3.98Å; L458-I460 HydrophobicContact CD1-CD1 4.12Å; L458-I460 PolarHBondContact O-N 2.88Å; L458-L469 HydrophobicContact CD1-CD2 3.65Å; L458-V497 HydrophobicContact CD1-CG1 3.69Å; L458-V497 HydrophobicContact CD2-CG1 4.36Å; L458-E498 HydrophobicContact CD2-CG 4.25Å
459	G	67.4	Low	76.1	Confident	60 Å²	60	68.2 Å²	68.2	62%	0.619	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	26.7	175.7	0	0	0	0	0	114.6	A456 S457 T461	A456-G459 PolarHBondContact O-N 3.39Å; S457-G459 PolarHBondContact O-N 2.97Å; G459-T461 PolarHBondContact O-N 3.19Å
460	I	72.7	Confident	77.4	Confident	40 Å²	40	68.2 Å²	68.2	21%	0.205	39%	0.389	C	S	.	.			trans	-70.5	122.7	-178.9	-59	169.4	0	0	0	109.7	L458 S462 L469 L510	L458-I460 VanDerWaalsContact C-N 3.31Å; L458-I460 HydrophobicContact CB-CD1 4.08Å; L458-I460 HydrophobicContact CB-CG1 3.98Å; L458-I460 HydrophobicContact CD1-CD1 4.12Å; L458-I460 PolarHBondContact O-N 2.88Å; I460-S462 VanDerWaalsContact C-N 3.32Å; I460-S462 PolarHBondContact O-N 3.44Å; I460-L469 HydrophobicContact CD1-CD2 3.71Å; I460-L510 HydrophobicContact CD1-CD1 4Å
461	T	65.1	Low	78.4	Confident	152 Å²	152	71 Å²	71	93%	0.933	40%	0.401	S	S	*	.	S	Bend	trans	-68.6	-25	-171	-30	0	0	0	0	114.5	G459	G459-T461 PolarHBondContact O-N 3.19Å
462	S	76.9	Confident	79.4	Confident	52 Å²	52	69.1 Å²	69.1	36%	0.364	39%	0.388	S	S	.	.			trans	-107.7	121.7	-171.1	166.3	0	0	0	0	111.1	I460 K464 S465 C466	I460-S462 VanDerWaalsContact C-N 3.32Å; I460-S462 PolarHBondContact O-N 3.44Å; S462-K464 VanDerWaalsContact C-N 3.29Å; S462-K464 PolarHBondContact O-N 3.49Å; S462-S465 WeakPolarHBondContact CB-OG 3.23Å; S462-S465 WeakPolarHBondContact O-CA 3.29Å; S462-S465 WeakPolarHBondContact O-CB 3.45Å; S462-S465 PolarHBondContact O-N 2.91Å; S462-S465 PolarHBondContact OG-N 2.92Å; S462-S465 PolarHBondContact OG-OG 3.3Å; S462-C466 PolarHBondContact O-N 3.05Å; S462-C466 VanDerWaalsContact O-N 3.08Å; S462-C466 PolarHBondContact O-SG 2.82Å
463	Q	78.4	Confident	80.3	Confident	147 Å²	147	62.9 Å²	62.9	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-41.5	176.9	-176.1	176.3	-12.2	0	0	112.2	S465 C466 E467	Q463-S465 PolarHBondContact O-N 2.96Å; Q463-C466 WeakPolarHBondContact O-CB 3.47Å; Q463-C466 PolarHBondContact O-N 3.01Å; Q463-C466 VanDerWaalsContact O-N 3.13Å; Q463-E467 PolarHBondContact NE2-OE1 2.97Å; Q463-E467 WeakPolarHBondContact O-CG 3.36Å; Q463-E467 PolarHBondContact O-N 3.36Å
464	K	83.3	Confident	80.9	Confident	152 Å²	152	58.4 Å²	58.4	66%	0.661	35%	0.349	S	S	*	.	H	α-helix	trans	-59.9	-36.6	175.6	-177.2	175	-179.9	178.3	0	112	S462 E467 C468	S462-K464 VanDerWaalsContact C-N 3.29Å; S462-K464 PolarHBondContact O-N 3.49Å; K464-E467 PolarHBondContact O-N 3.18Å; K464-C468 PolarHBondContact O-N 3.42Å; K464-C468 PolarHBondContact O-SG 2.72Å
465	S	83.6	Confident	81.5	Confident	25 Å²	25	59.7 Å²	59.7	18%	0.175	35%	0.354	C	S	.	.	H	α-helix	trans	-69.2	-39.8	177.1	-58.8	0	0	0	0	111.1	S462 Q463 C468 L469 I507	S462-S465 WeakPolarHBondContact CB-OG 3.23Å; S462-S465 WeakPolarHBondContact O-CA 3.29Å; S462-S465 WeakPolarHBondContact O-CB 3.45Å; S462-S465 PolarHBondContact O-N 2.91Å; S462-S465 PolarHBondContact OG-N 2.92Å; S462-S465 PolarHBondContact OG-OG 3.3Å; Q463-S465 PolarHBondContact O-N 2.96Å; S465-C468 PolarHBondContact O-N 3.33Å; S465-L469 PolarHBondContact O-N 2.98Å; S465-L469 VanDerWaalsContact O-N 3.07Å; S465-I507 WeakPolarHBondContact O-CD1 3.24Å
466	C	83.4	Confident	81.9	Confident	30 Å²	30	59.4 Å²	59.4	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-44.7	172.7	-62.2	0	0	0	0	111.8	I455 S462 Q463 L469 A470	I455-C466 HydrophobicContact CG2-CB 3.64Å; S462-C466 PolarHBondContact O-N 3.05Å; S462-C466 VanDerWaalsContact O-N 3.08Å; S462-C466 PolarHBondContact O-SG 2.82Å; Q463-C466 WeakPolarHBondContact O-CB 3.47Å; Q463-C466 PolarHBondContact O-N 3.01Å; Q463-C466 VanDerWaalsContact O-N 3.13Å; C466-L469 PolarHBondContact O-N 2.64Å; C466-A470 WeakPolarHBondContact O-CB 3.47Å; C466-A470 PolarHBondContact O-N 3.14Å
467	E	84.6	Confident	82.5	Confident	107 Å²	107	60.3 Å²	60.3	50%	0.5	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-46.9	177.6	-72.1	167.9	-172.2	0	0	111.8	Q463 K464 L469 A470 E471	Q463-E467 PolarHBondContact NE2-OE1 2.97Å; Q463-E467 WeakPolarHBondContact O-CG 3.36Å; Q463-E467 PolarHBondContact O-N 3.36Å; K464-E467 PolarHBondContact O-N 3.18Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.03Å; E467-A470 PolarHBondContact O-N 3.37Å; E467-E471 WeakPolarHBondContact O-CB 3.36Å; E467-E471 PolarHBondContact O-N 3Å
468	C	86.7	Confident	83	Confident	28 Å²	28	62.8 Å²	62.8	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-35.1	176.9	-68	0	0	0	0	112.8	K464 S465 T472 I507	K464-C468 PolarHBondContact O-N 3.42Å; K464-C468 PolarHBondContact O-SG 2.72Å; S465-C468 PolarHBondContact O-N 3.33Å; C468-T472 WeakPolarHBondContact O-CB 3.48Å; C468-T472 PolarHBondContact O-N 3.05Å; C468-T472 VanDerWaalsContact O-N 3.12Å; C468-T472 PolarHBondContact O-OG1 3.21Å; C468-I507 HydrophobicContact CB-CG1 4.13Å
469	L	88.3	Confident	83.7	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-70.1	-41.6	176.3	-163.1	62.1	0	0	0	111.2	W454 I455 L458 I460 S465 C466 E467 T472 W473 V497 I507 L510 R511 L514	W454-L469 HydrophobicContact CZ3-CD2 4.43Å; I455-L469 HydrophobicContact CD1-CB 4.35Å; I455-L469 HydrophobicContact CG1-CD2 4.2Å; I455-L469 HydrophobicContact CG1-CG 4.48Å; L458-L469 HydrophobicContact CD1-CD2 3.65Å; I460-L469 HydrophobicContact CD1-CD2 3.71Å; S465-L469 PolarHBondContact O-N 2.98Å; S465-L469 VanDerWaalsContact O-N 3.07Å; C466-L469 PolarHBondContact O-N 2.64Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.03Å; L469-T472 PolarHBondContact O-N 3.02Å; L469-W473 PolarHBondContact O-N 3.42Å; L469-V497 HydrophobicContact CD2-CG1 4.38Å; L469-I507 HydrophobicContact CB-CD1 3.91Å; L469-I507 HydrophobicContact CD1-CD1 4.25Å; L469-L510 HydrophobicContact CD1-CB 3.91Å; L469-R511 HydrophobicContact CD1-CG 4.28Å; L469-L514 HydrophobicContact CD1-CD1 3.49Å; L469-L514 VanDerWaalsContact CD1-CD1 3.49Å; L469-L514 HydrophobicContact CD1-CG 4.48Å; L469-L514 HydrophobicContact CG-CD1 4.15Å
470	A	86.7	Confident	84.6	Confident	37 Å²	37	62.3 Å²	62.3	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-44.1	176.3	0	0	0	0	0	111.9	I455 C466 E467 T472 W473 A474	I455-A470 VanDerWaalsContact CD1-CA 3.44Å; I455-A470 HydrophobicContact CD1-CB 3.52Å; C466-A470 WeakPolarHBondContact O-CB 3.47Å; C466-A470 PolarHBondContact O-N 3.14Å; E467-A470 PolarHBondContact O-N 3.37Å; A470-T472 VanDerWaalsContact C-N 3.3Å; A470-T472 PolarHBondContact O-N 3.45Å; A470-W473 WeakPolarHBondContact O-CB 3.45Å; A470-W473 PolarHBondContact O-N 2.98Å; A470-A474 PolarHBondContact O-N 3.39Å
471	E	88.4	Confident	85.2	Confident	118 Å²	118	68.5 Å²	68.5	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-43.2	174.6	-176.7	-177.3	-163.2	0	0	111.3	E467 A474 Y475	E467-E471 WeakPolarHBondContact O-CB 3.36Å; E467-E471 PolarHBondContact O-N 3Å; E471-A474 PolarHBondContact O-N 2.86Å; E471-Y475 WeakPolarHBondContact O-CB 3.39Å; E471-Y475 PolarHBondContact O-N 2.78Å
472	T	90.7	Very high	85.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-40.2	178.4	-54.3	0	0	0	0	111.6	C468 L469 A470 Y475 C476 R511 L514 L515	C468-T472 WeakPolarHBondContact O-CB 3.48Å; C468-T472 PolarHBondContact O-N 3.05Å; C468-T472 VanDerWaalsContact O-N 3.12Å; C468-T472 PolarHBondContact O-OG1 3.21Å; L469-T472 PolarHBondContact O-N 3.02Å; A470-T472 VanDerWaalsContact C-N 3.3Å; A470-T472 PolarHBondContact O-N 3.45Å; T472-Y475 WeakPolarHBondContact O-CB 3.45Å; T472-Y475 PolarHBondContact O-N 3.42Å; T472-C476 PolarHBondContact O-N 2.97Å; T472-C476 PolarHBondContact O-SG 3.16Å; T472-R511 HydrophobicContact CG2-CB 4.2Å; T472-R511 HydrophobicContact CG2-CG 4.4Å; T472-R511 WeakPolarHBondContact OG1-CG 3.34Å; T472-R511 PolarHBondContact OG1-NE 2.81Å; T472-R511 PolarHBondContact OG1-NH2 2.87Å; T472-L514 HydrophobicContact CG2-CB 4.18Å; T472-L514 HydrophobicContact CG2-CD1 4.22Å; T472-L515 HydrophobicContact CG2-CD1 3.77Å; T472-L515 HydrophobicContact CG2-CD2 4Å; T472-L515 HydrophobicContact CG2-CG 3.64Å
473	W	88.9	Confident	86.4	Confident	29 Å²	29	65.6 Å²	65.6	11%	0.11	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-46.8	173.8	173.6	-105.3	0	0	0	112.1	F449 P451 L469 A470 Y475 C476 L477 L490 V494 L514	F449-W473 HydrophobicContact CD1-CZ2 4.37Å; P451-W473 HydrophobicContact CB-CG 4.24Å; L469-W473 PolarHBondContact O-N 3.42Å; A470-W473 WeakPolarHBondContact O-CB 3.45Å; A470-W473 PolarHBondContact O-N 2.98Å; W473-Y475 VanDerWaalsContact C-N 3.29Å; W473-Y475 PolarHBondContact O-N 3.41Å; W473-C476 WeakPolarHBondContact O-CB 3.41Å; W473-C476 PolarHBondContact O-N 3.42Å; W473-C476 VanDerWaalsContact O-N 3.13Å; W473-L477 PolarHBondContact O-N 3.44Å; W473-L490 HydrophobicContact CH2-CB 4.14Å; W473-L490 HydrophobicContact CH2-CD2 4.33Å; W473-L490 HydrophobicContact CZ3-CB 4.28Å; W473-L490 HydrophobicContact CZ3-CD2 4.08Å; W473-V494 HydrophobicContact CE3-CG2 4.15Å; W473-V494 HydrophobicContact CH2-CG2 3.73Å; W473-V494 HydrophobicContact CZ3-CG2 3.36Å; W473-L514 HydrophobicContact CE3-CD2 4.2Å
474	A	87.7	Confident	86.6	Confident	55 Å²	55	63.8 Å²	63.8	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-41.9	176.9	0	0	0	0	0	111.6	A470 E471 L477 Q478	A470-A474 PolarHBondContact O-N 3.39Å; E471-A474 PolarHBondContact O-N 2.86Å; A474-L477 PolarHBondContact O-N 3.47Å; A474-Q478 PolarHBondContact O-N 3.19Å
475	Y	90.5	Very high	86.6	Confident	36 Å²	36	60.7 Å²	60.7	14%	0.141	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-46.8	173.5	-178.7	-92.9	0	0	0	111.9	E471 T472 W473 L477 Q478 Q479 L515 V524 V528 L529	E471-Y475 WeakPolarHBondContact O-CB 3.39Å; E471-Y475 PolarHBondContact O-N 2.78Å; T472-Y475 WeakPolarHBondContact O-CB 3.45Å; T472-Y475 PolarHBondContact O-N 3.42Å; W473-Y475 VanDerWaalsContact C-N 3.29Å; W473-Y475 PolarHBondContact O-N 3.41Å; Y475-L477 VanDerWaalsContact C-N 3.32Å; Y475-L477 PolarHBondContact O-N 3.49Å; Y475-Q478 PolarHBondContact O-N 3.14Å; Y475-Q479 HydrophobicContact CD1-CG 4.15Å; Y475-Q479 HydrophobicContact CD2-CG 4.46Å; Y475-Q479 HydrophobicContact CE1-CG 3.74Å; Y475-Q479 HydrophobicContact CE2-CG 4.08Å; Y475-Q479 HydrophobicContact CG-CG 4.49Å; Y475-Q479 WeakPolarHBondContact O-CG 3.4Å; Y475-Q479 PolarHBondContact O-N 2.98Å; Y475-L515 HydrophobicContact CD1-CD2 3.76Å; Y475-L515 HydrophobicContact CE1-CD2 4.05Å; Y475-V524 HydrophobicContact CE1-CG1 4.23Å; Y475-V528 VanDerWaalsContact OH-CG1 3.28Å; Y475-V528 WeakPolarHBondContact OH-CG1 3.46Å; Y475-L529 HydrophobicContact CE1-CD2 3.84Å
476	C	89.7	Confident	86.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-42.3	178.5	-64.9	0	0	0	0	112.1	T472 W473 Q479 T480 L490 L518	T472-C476 PolarHBondContact O-N 2.97Å; T472-C476 PolarHBondContact O-SG 3.16Å; W473-C476 WeakPolarHBondContact O-CB 3.41Å; W473-C476 PolarHBondContact O-N 3.42Å; W473-C476 VanDerWaalsContact O-N 3.13Å; C476-Q479 PolarHBondContact O-N 3.29Å; C476-T480 WeakPolarHBondContact O-CB 3.48Å; C476-T480 WeakPolarHBondContact O-CG2 3.19Å; C476-T480 PolarHBondContact O-N 2.88Å; C476-T480 VanDerWaalsContact O-N 3.12Å; C476-T480 PolarHBondContact O-OG1 2.95Å; C476-L490 HydrophobicContact CB-CD2 3.74Å; C476-L518 HydrophobicContact CB-CD2 3.85Å
477	L	87.2	Confident	86.7	Confident	94 Å²	94	62.7 Å²	62.7	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-40.9	179.1	-173.2	66.9	0	0	0	111.8	W473 A474 Y475 T480 Q481 L490	W473-L477 PolarHBondContact O-N 3.44Å; A474-L477 PolarHBondContact O-N 3.47Å; Y475-L477 VanDerWaalsContact C-N 3.32Å; Y475-L477 PolarHBondContact O-N 3.49Å; L477-T480 PolarHBondContact O-OG1 2.94Å; L477-Q481 PolarHBondContact O-N 3.03Å; L477-L490 HydrophobicContact CD1-CD1 3.92Å
478	Q	88.5	Confident	86.7	Confident	130 Å²	130	60.9 Å²	60.9	61%	0.607	35%	0.351	S	S	*	.	H	α-helix	trans	-65.9	-44.3	178.4	-174.2	-178.9	-1	0	0	111.8	A474 Y475 T480 Q481	A474-Q478 PolarHBondContact O-N 3.19Å; Y475-Q478 PolarHBondContact O-N 3.14Å; Q478-T480 VanDerWaalsContact C-N 3.33Å; Q478-T480 PolarHBondContact O-N 3.34Å; Q478-Q481 WeakPolarHBondContact O-CB 3.18Å; Q478-Q481 PolarHBondContact O-N 3.07Å
479	Q	88.8	Confident	86.7	Confident	72 Å²	72	60 Å²	60	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-74.3	-23.2	-176.7	-61.8	-56.6	-30.6	0	0	113.5	Y475 C476 L518 V523 V524	Y475-Q479 HydrophobicContact CD1-CG 4.15Å; Y475-Q479 HydrophobicContact CD2-CG 4.46Å; Y475-Q479 HydrophobicContact CE1-CG 3.74Å; Y475-Q479 HydrophobicContact CE2-CG 4.08Å; Y475-Q479 HydrophobicContact CG-CG 4.49Å; Y475-Q479 WeakPolarHBondContact O-CG 3.4Å; Y475-Q479 PolarHBondContact O-N 2.98Å; C476-Q479 PolarHBondContact O-N 3.29Å; Q479-L518 HydrophobicContact CB-CD2 4.3Å; Q479-V523 HydrophobicContact CB-CG1 4.35Å; Q479-V523 WeakPolarHBondContact O-CG1 3.35Å; Q479-V524 HydrophobicContact CB-CG1 3.87Å; Q479-V524 HydrophobicContact CG-CG1 3.77Å
480	T	86.5	Confident	86.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.9	178.5	52.1	0	0	0	0	113.4	C476 L477 Q478 G482 H483 A486 L490 L518	C476-T480 WeakPolarHBondContact O-CB 3.48Å; C476-T480 WeakPolarHBondContact O-CG2 3.19Å; C476-T480 PolarHBondContact O-N 2.88Å; C476-T480 VanDerWaalsContact O-N 3.12Å; C476-T480 PolarHBondContact O-OG1 2.95Å; L477-T480 PolarHBondContact O-OG1 2.94Å; Q478-T480 VanDerWaalsContact C-N 3.33Å; Q478-T480 PolarHBondContact O-N 3.34Å; T480-G482 PolarHBondContact O-N 2.84Å; T480-H483 WeakPolarHBondContact O-CB 3.34Å; T480-H483 PolarHBondContact O-N 3.24Å; T480-A486 WeakPolarHBondContact O-CB 3.23Å; T480-L490 HydrophobicContact CG2-CD2 4.26Å; T480-L490 HydrophobicContact CG2-CG 4.36Å; T480-L518 HydrophobicContact CG2-CD1 4Å; T480-L518 HydrophobicContact CG2-CD2 3.85Å; T480-L518 HydrophobicContact CG2-CG 3.77Å
481	Q	84.6	Confident	86.7	Confident	170 Å²	170	61.8 Å²	61.8	79%	0.794	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	113.7	-179.7	-169.9	173.9	15.1	0	0	111.2	L477 Q478	L477-Q481 PolarHBondContact O-N 3.03Å; Q478-Q481 WeakPolarHBondContact O-CB 3.18Å; Q478-Q481 PolarHBondContact O-N 3.07Å
482	G	80.9	Confident	86.8	Confident	81 Å²	81	57.8 Å²	57.8	84%	0.835	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	0.3	-179.9	0	0	0	0	0	115.6	T480	T480-G482 PolarHBondContact O-N 2.84Å
483	H	86.5	Confident	86.8	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.287	32%	0.324	S	S	.	.			trans	-75.1	135.4	174	-166.8	-84.4	0	0	0	110.7	T480 D485 A486	T480-H483 WeakPolarHBondContact O-CB 3.34Å; T480-H483 PolarHBondContact O-N 3.24Å; H483-D485 VanDerWaalsContact C-N 3.26Å; H483-D485 IonicContact CE1-OD2 2.98Å; H483-D485 PolarHBondContact ND1-N 2.8Å; H483-D485 VanDerWaalsContact ND1-N 3.19Å; H483-D485 PolarHBondContact O-N 2.91Å; H483-A486 HydrophobicContact CB-CB 4.27Å; H483-A486 VanDerWaalsContact O-CB 3.27Å; H483-A486 WeakPolarHBondContact O-CB 3.45Å; H483-A486 PolarHBondContact O-N 2.87Å; H483-A486 VanDerWaalsContact O-N 3.13Å
484	P	83.7	Confident	86.8	Confident	110 Å²	110	56.7 Å²	56.7	71%	0.714	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.4	-177	21.8	-33.5	0	0	0	113
485	D	83.8	Confident	86.9	Confident	86 Å²	86	54.1 Å²	54.1	46%	0.46	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	17.1	-178.8	-54.6	-44.2	0	0	0	113.9	H483 S487 L488 L489	H483-D485 VanDerWaalsContact C-N 3.26Å; H483-D485 IonicContact CE1-OD2 2.98Å; H483-D485 PolarHBondContact ND1-N 2.8Å; H483-D485 VanDerWaalsContact ND1-N 3.19Å; H483-D485 PolarHBondContact O-N 2.91Å; D485-S487 VanDerWaalsContact C-N 3.27Å; D485-S487 PolarHBondContact O-N 3.09Å; D485-L488 PolarHBondContact O-N 2.9Å; D485-L488 VanDerWaalsContact O-N 3.08Å; D485-L489 HydrophobicContact CB-CG 4.35Å; D485-L489 WeakPolarHBondContact O-CG 3.32Å; D485-L489 PolarHBondContact O-N 2.95Å
486	A	84.3	Confident	86.9	Confident	20 Å²	20	52.4 Å²	52.4	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-52.8	-43.2	-174.3	0	0	0	0	0	113.3	T480 H483 L488 L489 L490	T480-A486 WeakPolarHBondContact O-CB 3.23Å; H483-A486 HydrophobicContact CB-CB 4.27Å; H483-A486 VanDerWaalsContact O-CB 3.27Å; H483-A486 WeakPolarHBondContact O-CB 3.45Å; H483-A486 PolarHBondContact O-N 2.87Å; H483-A486 VanDerWaalsContact O-N 3.13Å; A486-L488 PolarHBondContact O-N 2.84Å; A486-L489 PolarHBondContact O-N 2.69Å; A486-L490 WeakPolarHBondContact O-CB 3.21Å; A486-L490 VanDerWaalsContact O-CG 3.25Å; A486-L490 WeakPolarHBondContact O-CG 3.23Å; A486-L490 PolarHBondContact O-N 2.73Å
487	S	83	Confident	87	Confident	77 Å²	77	52.3 Å²	52.3	54%	0.538	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-42.6	179.6	56.2	0	0	0	0	112.2	D485 W491	D485-S487 VanDerWaalsContact C-N 3.27Å; D485-S487 PolarHBondContact O-N 3.09Å; S487-W491 WeakPolarHBondContact O-CB 3.37Å; S487-W491 PolarHBondContact O-N 3.44Å
488	L	85	Confident	87	Confident	70 Å²	70	48 Å²	48	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-46.4	178.5	-177.1	67.6	0	0	0	111.1	D485 A486 L490 W491 R492 E596	D485-L488 PolarHBondContact O-N 2.9Å; D485-L488 VanDerWaalsContact O-N 3.08Å; A486-L488 PolarHBondContact O-N 2.84Å; L488-L490 PolarHBondContact O-N 2.84Å; L488-W491 PolarHBondContact O-N 2.59Å; L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 3.34Å; L488-E596 HydrophobicContact CD1-CG 4.07Å
489	L	88.2	Confident	87	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-45.6	-178.8	-67.8	175.8	0	0	0	112	D485 A486 G493 P517 L518 A521 V523	D485-L489 HydrophobicContact CB-CG 4.35Å; D485-L489 WeakPolarHBondContact O-CG 3.32Å; D485-L489 PolarHBondContact O-N 2.95Å; A486-L489 PolarHBondContact O-N 2.69Å; L489-G493 PolarHBondContact O-N 2.88Å; L489-P517 HydrophobicContact CD2-CB 4.1Å; L489-L518 HydrophobicContact CB-CD1 4.29Å; L489-A521 HydrophobicContact CD1-CB 4.08Å; L489-A521 HydrophobicContact CD2-CB 3.83Å; L489-V523 HydrophobicContact CD1-CG2 3.95Å
490	L	89.2	Confident	86.9	Confident	19 Å²	19	38.4 Å²	38.4	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-44.1	177.6	-68.8	173.3	0	0	0	111.5	W473 C476 L477 T480 A486 L488 R492 G493 V494	W473-L490 HydrophobicContact CH2-CB 4.14Å; W473-L490 HydrophobicContact CH2-CD2 4.33Å; W473-L490 HydrophobicContact CZ3-CB 4.28Å; W473-L490 HydrophobicContact CZ3-CD2 4.08Å; C476-L490 HydrophobicContact CB-CD2 3.74Å; L477-L490 HydrophobicContact CD1-CD1 3.92Å; T480-L490 HydrophobicContact CG2-CD2 4.26Å; T480-L490 HydrophobicContact CG2-CG 4.36Å; A486-L490 WeakPolarHBondContact O-CB 3.21Å; A486-L490 VanDerWaalsContact O-CG 3.25Å; A486-L490 WeakPolarHBondContact O-CG 3.23Å; A486-L490 PolarHBondContact O-N 2.73Å; L488-L490 PolarHBondContact O-N 2.84Å; L490-R492 PolarHBondContact O-N 2.68Å; L490-G493 PolarHBondContact O-N 3.32Å; L490-V494 WeakPolarHBondContact O-CG2 3.34Å; L490-V494 PolarHBondContact O-N 3.3Å
491	W	85.4	Confident	86.8	Confident	56 Å²	56	39.5 Å²	39.5	21%	0.212	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-42.6	178.9	179.6	86.1	0	0	0	111.9	A441 A446 S487 L488 G493 V494 E495 R595 E596	A441-W491 PolarHBondContact O-NE1 2.66Å; A446-W491 HydrophobicContact CB-CB 4.31Å; S487-W491 WeakPolarHBondContact O-CB 3.37Å; S487-W491 PolarHBondContact O-N 3.44Å; L488-W491 PolarHBondContact O-N 2.59Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 2.72Å; W491-V494 PolarHBondContact O-N 2.63Å; W491-E495 WeakPolarHBondContact CH2-OE2 3.5Å; W491-E495 WeakPolarHBondContact CZ3-OE2 3.3Å; W491-E495 WeakPolarHBondContact O-CB 3.43Å; W491-E495 PolarHBondContact O-N 2.95Å; W491-R595 HydrophobicContact CH2-CB 4.41Å; W491-E596 HydrophobicContact CE3-CG 4.17Å; W491-E596 HydrophobicContact CH2-CG 4.24Å; W491-E596 HydrophobicContact CZ3-CG 3.41Å; W491-E596 VanDerWaalsContact CZ3-CG 3.41Å
492	R	89.3	Confident	86.5	Confident	34 Å²	34	34.3 Å²	34.3	13%	0.128	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-46.3	174.9	-171.7	-178.7	-67.4	159.6	1.5	111	L488 L490 E495 M496 P517 A592 E596	L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 3.34Å; L490-R492 PolarHBondContact O-N 2.68Å; R492-E495 PolarHBondContact O-N 3.44Å; R492-M496 HydrophobicContact CG-SD 3.98Å; R492-M496 WeakPolarHBondContact O-CB 3.23Å; R492-M496 WeakPolarHBondContact O-CG 3.38Å; R492-M496 PolarHBondContact O-N 3.15Å; R492-P517 HydrophobicContact CB-CB 4.46Å; R492-P517 HydrophobicContact CB-CG 4.09Å; R492-P517 HydrophobicContact CG-CG 4Å; R492-A592 HydrophobicContact CG-CB 4.18Å; R492-E596 VanDerWaalsContact CB-OE1 3.28Å; R492-E596 WeakPolarHBondContact CB-OE1 3.33Å; R492-E596 VanDerWaalsContact CG-OE1 3.28Å; R492-E596 WeakPolarHBondContact CG-OE1 3.31Å; R492-E596 IonicContact CZ-OE1 2.66Å; R492-E596 IonicContact CZ-OE2 3.45Å; R492-E596 VanDerWaalsContact NE-CD 3.3Å; R492-E596 IonicContact NE-OE1 3.23Å; R492-E596 PolarHBondContact NE-OE1 2.73Å; R492-E596 IonicContact NE-OE2 2.65Å; R492-E596 PolarHBondContact NE-OE2 3.24Å; R492-E596 IonicContact NH2-OE1 2.99Å; R492-E596 IonicContact NH2-OE2 3.4Å; R492-E596 PolarHBondContact NH2-OE2 3.05Å
493	G	91.4	Very high	86.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-46.6	177.5	0	0	0	0	0	112.5	L489 L490 W491 M496 V497	L489-G493 PolarHBondContact O-N 2.88Å; L490-G493 PolarHBondContact O-N 3.32Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 2.72Å; G493-M496 PolarHBondContact O-N 2.9Å; G493-V497 PolarHBondContact O-N 3.07Å
494	V	89.4	Confident	85.8	Confident	6 Å²	6	30.5 Å²	30.5	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-47.6	177.5	170.4	0	0	0	0	111	A441 F449 W454 W473 L490 W491 M496 V497 E498	A441-V494 HydrophobicContact CB-CG1 4.3Å; F449-V494 HydrophobicContact CE1-CG1 4.42Å; F449-V494 HydrophobicContact CE1-CG2 4.4Å; F449-V494 HydrophobicContact CE2-CG1 4.08Å; F449-V494 HydrophobicContact CZ-CG1 3.58Å; F449-V494 HydrophobicContact CZ-CG2 4.31Å; W454-V494 HydrophobicContact CZ2-CB 4.36Å; W454-V494 HydrophobicContact CZ2-CG1 3.82Å; W454-V494 HydrophobicContact CZ2-CG2 4.47Å; W473-V494 HydrophobicContact CE3-CG2 4.15Å; W473-V494 HydrophobicContact CH2-CG2 3.73Å; W473-V494 HydrophobicContact CZ3-CG2 3.36Å; L490-V494 WeakPolarHBondContact O-CG2 3.34Å; L490-V494 PolarHBondContact O-N 3.3Å; W491-V494 PolarHBondContact O-N 2.63Å; V494-M496 VanDerWaalsContact C-N 3.32Å; V494-M496 PolarHBondContact O-N 3.37Å; V494-V497 PolarHBondContact O-N 3.31Å; V494-V497 VanDerWaalsContact O-N 3.15Å; V494-E498 HydrophobicContact CG1-CG 4.41Å; V494-E498 WeakPolarHBondContact O-CG 3.22Å; V494-E498 PolarHBondContact O-N 3.11Å
495	E	88.2	Confident	85.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-40.5	-179.5	-174.6	170.6	-130	0	0	111.8	A441 H442 W491 R492 V497 E498 I499 A592 R595	A441-E495 HydrophobicContact CB-CB 4.45Å; H442-E495 IonicContact NE2-OE1 3.23Å; W491-E495 WeakPolarHBondContact CH2-OE2 3.5Å; W491-E495 WeakPolarHBondContact CZ3-OE2 3.3Å; W491-E495 WeakPolarHBondContact O-CB 3.43Å; W491-E495 PolarHBondContact O-N 2.95Å; R492-E495 PolarHBondContact O-N 3.44Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.05Å; E495-E498 PolarHBondContact O-N 2.92Å; E495-I499 HydrophobicContact CG-CD1 4.24Å; E495-I499 WeakPolarHBondContact O-CD1 3.16Å; E495-I499 VanDerWaalsContact O-CG1 3.3Å; E495-I499 WeakPolarHBondContact O-CG1 3.47Å; E495-I499 PolarHBondContact O-N 2.83Å; E495-A592 HydrophobicContact CG-CB 4.32Å; E495-A592 WeakPolarHBondContact OE2-CA 3.31Å; E495-A592 VanDerWaalsContact OE2-CB 3.28Å; E495-A592 WeakPolarHBondContact OE2-CB 3.36Å; E495-R595 WeakPolarHBondContact OE1-CD 3.5Å; E495-R595 IonicContact OE1-CZ 3.14Å; E495-R595 IonicContact OE1-NE 3.12Å; E495-R595 IonicContact OE1-NH1 3.32Å; E495-R595 PolarHBondContact OE1-NH1 2.94Å
496	M	92.5	Very high	85.6	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-43	173.5	-71.2	171.4	58.1	0	0	111.6	R492 G493 V494 I499 L500 A513 F516 P517 I585 E589 A592	R492-M496 HydrophobicContact CG-SD 3.98Å; R492-M496 WeakPolarHBondContact O-CB 3.23Å; R492-M496 WeakPolarHBondContact O-CG 3.38Å; R492-M496 PolarHBondContact O-N 3.15Å; G493-M496 PolarHBondContact O-N 2.9Å; V494-M496 VanDerWaalsContact C-N 3.32Å; V494-M496 PolarHBondContact O-N 3.37Å; M496-I499 PolarHBondContact O-N 3.48Å; M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 WeakPolarHBondContact O-CD1 3.43Å; M496-L500 VanDerWaalsContact O-CG 3.22Å; M496-L500 WeakPolarHBondContact O-CG 3.2Å; M496-L500 PolarHBondContact O-N 2.97Å; M496-A513 HydrophobicContact CB-CB 4.03Å; M496-A513 HydrophobicContact CE-CB 4.12Å; M496-F516 HydrophobicContact CE-CB 4.2Å; M496-F516 HydrophobicContact CE-CD1 3.92Å; M496-F516 HydrophobicContact CE-CG 4.32Å; M496-F516 HydrophobicContact SD-CD1 4.29Å; M496-P517 HydrophobicContact SD-CG 4.12Å; M496-I585 HydrophobicContact CE-CG2 3.75Å; M496-E589 HydrophobicContact CE-CB 3.77Å; M496-E589 HydrophobicContact CE-CG 4.38Å; M496-E589 HydrophobicContact SD-CB 3.89Å; M496-E589 HydrophobicContact SD-CG 4.12Å; M496-A592 HydrophobicContact CG-CB 4.1Å
497	V	91.2	Very high	85.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-42.7	174.8	167.6	0	0	0	0	112.1	W454 L458 L469 G493 V494 E495 I499 L500 S501 L510 A513 L514	W454-V497 HydrophobicContact CH2-CB 3.81Å; W454-V497 HydrophobicContact CH2-CG1 3.46Å; W454-V497 VanDerWaalsContact CH2-CG1 3.46Å; W454-V497 HydrophobicContact CH2-CG2 4.26Å; W454-V497 HydrophobicContact CZ2-CB 3.79Å; W454-V497 HydrophobicContact CZ2-CG1 3.46Å; W454-V497 VanDerWaalsContact CZ2-CG1 3.46Å; L458-V497 HydrophobicContact CD1-CG1 3.69Å; L458-V497 HydrophobicContact CD2-CG1 4.36Å; L469-V497 HydrophobicContact CD2-CG1 4.38Å; G493-V497 PolarHBondContact O-N 3.07Å; V494-V497 PolarHBondContact O-N 3.31Å; V494-V497 VanDerWaalsContact O-N 3.15Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.05Å; V497-I499 VanDerWaalsContact C-N 3.28Å; V497-I499 PolarHBondContact O-N 2.69Å; V497-L500 PolarHBondContact O-N 3.33Å; V497-S501 VanDerWaalsContact O-CB 3.3Å; V497-S501 WeakPolarHBondContact O-CB 3.4Å; V497-S501 PolarHBondContact O-N 3.38Å; V497-S501 PolarHBondContact O-OG 2.95Å; V497-L510 HydrophobicContact CG1-CD2 4.21Å; V497-L510 HydrophobicContact CG2-CB 4.47Å; V497-L510 VanDerWaalsContact CG2-O 3.27Å; V497-L510 WeakPolarHBondContact CG2-O 3.2Å; V497-A513 HydrophobicContact CG2-CB 4.1Å; V497-L514 HydrophobicContact CG2-CD1 4.21Å; V497-L514 HydrophobicContact CG2-CD2 3.73Å; V497-L514 HydrophobicContact CG2-CG 3.49Å; V497-L514 VanDerWaalsContact CG2-CG 3.49Å
498	E	87.2	Confident	86.1	Confident	4 Å²	4	23 Å²	23	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-31.3	178.3	-66.8	176.7	174.7	0	0	112.1	R439 S440 A441 W454 L458 V494 E495 S501 T502	R439-E498 HydrophobicContact CB-CB 3.96Å; R439-E498 HydrophobicContact CB-CG 4.47Å; R439-E498 WeakPolarHBondContact CB-OE2 3.49Å; R439-E498 HydrophobicContact CG-CB 4.3Å; S440-E498 WeakPolarHBondContact CB-OE1 3.49Å; S440-E498 PolarHBondContact N-OE2 2.84Å; S440-E498 VanDerWaalsContact OG-CD 3.3Å; S440-E498 PolarHBondContact OG-OE1 3.45Å; A441-E498 WeakPolarHBondContact CB-OE2 3.48Å; A441-E498 PolarHBondContact N-OE1 2.9Å; A441-E498 VanDerWaalsContact N-OE1 3.15Å; A441-E498 PolarHBondContact N-OE2 3.39Å; W454-E498 HydrophobicContact CZ2-CG 4.24Å; W454-E498 PolarHBondContact NE1-OE1 3.32Å; L458-E498 HydrophobicContact CD2-CG 4.25Å; V494-E498 HydrophobicContact CG1-CG 4.41Å; V494-E498 WeakPolarHBondContact O-CG 3.22Å; V494-E498 PolarHBondContact O-N 3.11Å; E495-E498 PolarHBondContact O-N 2.92Å; E498-S501 PolarHBondContact O-OG 2.95Å; E498-S501 VanDerWaalsContact O-OG 3.11Å; E498-T502 VanDerWaalsContact O-CG2 3.26Å; E498-T502 WeakPolarHBondContact O-CG2 3.37Å
499	I	87.3	Confident	86.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-52	169.5	-68	157.1	0	0	0	109.9	E495 M496 V497 S501 T502 A588 I591 L628	E495-I499 HydrophobicContact CG-CD1 4.24Å; E495-I499 WeakPolarHBondContact O-CD1 3.16Å; E495-I499 VanDerWaalsContact O-CG1 3.3Å; E495-I499 WeakPolarHBondContact O-CG1 3.47Å; E495-I499 PolarHBondContact O-N 2.83Å; M496-I499 PolarHBondContact O-N 3.48Å; V497-I499 VanDerWaalsContact C-N 3.28Å; V497-I499 PolarHBondContact O-N 2.69Å; I499-S501 PolarHBondContact O-N 3.08Å; I499-T502 PolarHBondContact O-N 3.04Å; I499-T502 PolarHBondContact O-OG1 2.78Å; I499-A588 HydrophobicContact CB-CB 4Å; I499-A588 HydrophobicContact CD1-CB 4.21Å; I499-A588 WeakPolarHBondContact CD1-O 3.5Å; I499-A588 HydrophobicContact CG2-CB 3.68Å; I499-I591 HydrophobicContact CD1-CB 3.96Å; I499-I591 HydrophobicContact CD1-CG2 3.76Å; I499-L628 HydrophobicContact CG2-CD2 3.51Å
500	L	88.4	Confident	86.5	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.3	-29.1	-172.8	-67	165.9	0	0	0	113.1	M496 V497 T502 L503 S504 M505 T509 L510 A513 V584 I585 A588	M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 WeakPolarHBondContact O-CD1 3.43Å; M496-L500 VanDerWaalsContact O-CG 3.22Å; M496-L500 WeakPolarHBondContact O-CG 3.2Å; M496-L500 PolarHBondContact O-N 2.97Å; V497-L500 PolarHBondContact O-N 3.33Å; L500-T502 VanDerWaalsContact C-N 3.31Å; L500-T502 PolarHBondContact O-N 3.07Å; L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 3.09Å; L500-L503 VanDerWaalsContact O-N 3.1Å; L500-S504 PolarHBondContact O-N 3.49Å; L500-M505 HydrophobicContact CB-CB 4.47Å; L500-M505 HydrophobicContact CB-CG 4.23Å; L500-M505 HydrophobicContact CD2-CG 4.17Å; L500-M505 WeakPolarHBondContact O-CG 3.5Å; L500-M505 PolarHBondContact O-N 2.98Å; L500-T509 HydrophobicContact CD1-CG2 4.07Å; L500-T509 HydrophobicContact CD2-CG2 4.29Å; L500-L510 HydrophobicContact CB-CD2 3.69Å; L500-A513 HydrophobicContact CD1-CB 3.34Å; L500-V584 HydrophobicContact CD2-CB 4.26Å; L500-V584 HydrophobicContact CD2-CG1 3.49Å; L500-V584 VanDerWaalsContact CD2-CG1 3.49Å; L500-I585 HydrophobicContact CD1-CG1 4.11Å; L500-A588 HydrophobicContact CD1-CB 4.17Å; L500-A588 HydrophobicContact CD2-CB 3.94Å; L500-A588 HydrophobicContact CG-CB 3.82Å
501	S	84.1	Confident	86.7	Confident	24 Å²	24	19.6 Å²	19.6	17%	0.168	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-35.8	174.8	70	0	0	0	0	111.4	V497 E498 I499 L503 S504	V497-S501 VanDerWaalsContact O-CB 3.3Å; V497-S501 WeakPolarHBondContact O-CB 3.4Å; V497-S501 PolarHBondContact O-N 3.38Å; V497-S501 PolarHBondContact O-OG 2.95Å; E498-S501 PolarHBondContact O-OG 2.95Å; E498-S501 VanDerWaalsContact O-OG 3.11Å; I499-S501 PolarHBondContact O-N 3.08Å; S501-L503 PolarHBondContact O-N 2.82Å; S501-S504 PolarHBondContact O-N 3.29Å
502	T	77.5	Confident	87.1	Confident	62 Å²	62	17 Å²	17	38%	0.38	10%	0.095	S	C	.	.	H	α-helix	trans	-63.5	-22.2	174	69.3	0	0	0	0	112.8	E498 I499 L500 S504	E498-T502 VanDerWaalsContact O-CG2 3.26Å; E498-T502 WeakPolarHBondContact O-CG2 3.37Å; I499-T502 PolarHBondContact O-N 3.04Å; I499-T502 PolarHBondContact O-OG1 2.78Å; L500-T502 VanDerWaalsContact C-N 3.31Å; L500-T502 PolarHBondContact O-N 3.07Å; T502-S504 VanDerWaalsContact C-N 3.34Å
503	L	78.3	Confident	87.3	Confident	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.6	174.8	-53.2	178.4	0	0	0	113.1	L500 S501 M505 V584 I625 Q627 L628 L783	L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 3.09Å; L500-L503 VanDerWaalsContact O-N 3.1Å; S501-L503 PolarHBondContact O-N 2.82Å; L503-M505 VanDerWaalsContact C-N 3.3Å; L503-M505 HydrophobicContact CB-CG 4.06Å; L503-M505 HydrophobicContact CB-SD 4.4Å; L503-M505 PolarHBondContact O-N 2.91Å; L503-V584 HydrophobicContact CD1-CG1 3.66Å; L503-I625 HydrophobicContact CD1-CG2 4.36Å; L503-I625 HydrophobicContact CD2-CG2 4.31Å; L503-Q627 HydrophobicContact CD2-CB 4.49Å; L503-L628 HydrophobicContact CD1-CD1 3.85Å; L503-L628 HydrophobicContact CD1-CD2 4.22Å; L503-L628 HydrophobicContact CD1-CG 4.09Å; L503-L783 HydrophobicContact CB-CD2 4.17Å; L503-L783 HydrophobicContact CD2-CD2 3.41Å; L503-L783 VanDerWaalsContact CD2-CD2 3.41Å; L503-L783 HydrophobicContact CG-CD2 4.38Å
504	S	74.8	Confident	87.3	Confident	61 Å²	61	15.4 Å²	15.4	43%	0.427	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.9	-176.2	-57.6	0	0	0	0	113.8	L500 S501 T502	L500-S504 PolarHBondContact O-N 3.49Å; S501-S504 PolarHBondContact O-N 3.29Å; T502-S504 VanDerWaalsContact C-N 3.34Å
505	M	80.6	Confident	87.5	Confident	20 Å²	20	15.1 Å²	15.1	10%	0.099	9%	0.087	C	C	.	.			trans	-67.9	156.6	179.9	-63.9	-59.4	-66	0	0	112.7	L500 L503 T509 L510 F580 R581 V584 A786	L500-M505 HydrophobicContact CB-CB 4.47Å; L500-M505 HydrophobicContact CB-CG 4.23Å; L500-M505 HydrophobicContact CD2-CG 4.17Å; L500-M505 WeakPolarHBondContact O-CG 3.5Å; L500-M505 PolarHBondContact O-N 2.98Å; L503-M505 VanDerWaalsContact C-N 3.3Å; L503-M505 HydrophobicContact CB-CG 4.06Å; L503-M505 HydrophobicContact CB-SD 4.4Å; L503-M505 PolarHBondContact O-N 2.91Å; M505-T509 HydrophobicContact CB-CG2 3.69Å; M505-T509 HydrophobicContact CE-CG2 3.84Å; M505-T509 HydrophobicContact CG-CG2 3.99Å; M505-L510 HydrophobicContact CB-CD2 4.49Å; M505-F580 HydrophobicContact CE-CE2 4.14Å; M505-F580 HydrophobicContact CE-CZ 4.08Å; M505-R581 HydrophobicContact CE-CB 4.43Å; M505-R581 HydrophobicContact CE-CG 3.93Å; M505-V584 HydrophobicContact CE-CB 4.36Å; M505-V584 HydrophobicContact CE-CG1 4.44Å; M505-V584 HydrophobicContact CE-CG2 4.35Å; M505-V584 HydrophobicContact SD-CG1 4.26Å; M505-A786 HydrophobicContact SD-CB 3.86Å
506	D	82.8	Confident	87.8	Confident	38 Å²	38	15.1 Å²	15.1	20%	0.203	9%	0.087	C	C	.	.			trans	-66.4	163	178	67.7	-66	0	0	0	112.7	D508 T509 L510 R581	D506-D508 VanDerWaalsContact C-N 3.32Å; D506-D508 PolarHBondContact O-N 3.47Å; D506-D508 WeakPolarHBondContact OD2-CB 3.42Å; D506-D508 PolarHBondContact OD2-N 2.93Å; D506-T509 WeakPolarHBondContact O-CB 3.49Å; D506-T509 PolarHBondContact O-N 2.91Å; D506-T509 WeakPolarHBondContact OD1-CB 3.3Å; D506-T509 PolarHBondContact OD1-OG1 3.16Å; D506-T509 PolarHBondContact OD2-N 2.98Å; D506-L510 PolarHBondContact O-N 3.45Å; D506-L510 VanDerWaalsContact O-N 3.17Å; D506-R581 WeakPolarHBondContact OD1-CD 3.24Å; D506-R581 IonicContact OD1-NH1 3.61Å; D506-R581 IonicContact OD2-NH1 3.51Å; D506-R581 PolarHBondContact OD2-NH1 3.36Å
507	I	88.4	Confident	87.7	Confident	36 Å²	36	15.1 Å²	15.1	19%	0.185	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-35.4	-174.3	-172.6	56.2	0	0	0	113	S465 C468 L469 T509 L510 R511	S465-I507 WeakPolarHBondContact O-CD1 3.24Å; C468-I507 HydrophobicContact CB-CG1 4.13Å; L469-I507 HydrophobicContact CB-CD1 3.91Å; L469-I507 HydrophobicContact CD1-CD1 4.25Å; I507-T509 VanDerWaalsContact C-N 3.29Å; I507-T509 PolarHBondContact O-N 3.28Å; I507-L510 PolarHBondContact O-N 3.44Å; I507-R511 HydrophobicContact CD1-CG 4.18Å; I507-R511 HydrophobicContact CG1-CG 4.23Å; I507-R511 WeakPolarHBondContact O-CB 3.15Å; I507-R511 VanDerWaalsContact O-CG 3.24Å; I507-R511 WeakPolarHBondContact O-CG 3.48Å; I507-R511 PolarHBondContact O-N 3.18Å
508	D	89.8	Confident	87.8	Confident	40 Å²	40	15.1 Å²	15.1	21%	0.214	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-37.4	178.9	-71.3	-6.7	0	0	0	110.6	D506 R511 A512 S536 V537 L540	D506-D508 VanDerWaalsContact C-N 3.32Å; D506-D508 PolarHBondContact O-N 3.47Å; D506-D508 WeakPolarHBondContact OD2-CB 3.42Å; D506-D508 PolarHBondContact OD2-N 2.93Å; D508-R511 PolarHBondContact O-N 2.99Å; D508-A512 VanDerWaalsContact O-CB 3.27Å; D508-A512 WeakPolarHBondContact O-CB 3.42Å; D508-A512 PolarHBondContact O-N 3.44Å; D508-S536 VanDerWaalsContact OD2-CB 3.23Å; D508-S536 WeakPolarHBondContact OD2-CB 3.45Å; D508-S536 PolarHBondContact OD2-OG 2.73Å; D508-V537 HydrophobicContact CB-CG2 4Å; D508-L540 HydrophobicContact CB-CD1 4.22Å
509	T	90.2	Very high	87.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-47.6	173.1	-65.5	0	0	0	0	112.1	L500 M505 D506 I507 R511 A512 A513 R581 I585	L500-T509 HydrophobicContact CD1-CG2 4.07Å; L500-T509 HydrophobicContact CD2-CG2 4.29Å; M505-T509 HydrophobicContact CB-CG2 3.69Å; M505-T509 HydrophobicContact CE-CG2 3.84Å; M505-T509 HydrophobicContact CG-CG2 3.99Å; D506-T509 WeakPolarHBondContact O-CB 3.49Å; D506-T509 PolarHBondContact O-N 2.91Å; D506-T509 WeakPolarHBondContact OD1-CB 3.3Å; D506-T509 PolarHBondContact OD1-OG1 3.16Å; D506-T509 PolarHBondContact OD2-N 2.98Å; I507-T509 VanDerWaalsContact C-N 3.29Å; I507-T509 PolarHBondContact O-N 3.28Å; T509-R511 VanDerWaalsContact C-N 3.34Å; T509-R511 PolarHBondContact O-N 3.34Å; T509-A512 PolarHBondContact O-N 2.72Å; T509-A513 WeakPolarHBondContact O-CB 3.46Å; T509-A513 PolarHBondContact O-N 2.94Å; T509-R581 VanDerWaalsContact OG1-CD 3.26Å; T509-R581 WeakPolarHBondContact OG1-CD 3.35Å; T509-I585 HydrophobicContact CG2-CD1 4.09Å; T509-I585 HydrophobicContact CG2-CG1 3.74Å
510	L	91.2	Very high	88	Confident	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-39.9	179.6	-59.8	175.4	0	0	0	111.3	I460 L469 V497 L500 M505 D506 I507 A513 L514	I460-L510 HydrophobicContact CD1-CD1 4Å; L469-L510 HydrophobicContact CD1-CB 3.91Å; V497-L510 HydrophobicContact CG1-CD2 4.21Å; V497-L510 HydrophobicContact CG2-CB 4.47Å; V497-L510 VanDerWaalsContact CG2-O 3.27Å; V497-L510 WeakPolarHBondContact CG2-O 3.2Å; L500-L510 HydrophobicContact CB-CD2 3.69Å; M505-L510 HydrophobicContact CB-CD2 4.49Å; D506-L510 PolarHBondContact O-N 3.45Å; D506-L510 VanDerWaalsContact O-N 3.17Å; I507-L510 PolarHBondContact O-N 3.44Å; L510-A513 PolarHBondContact O-N 3.37Å; L510-L514 PolarHBondContact O-N 3.03Å
511	R	92.9	Very high	87.9	Confident	22 Å²	22	19.8 Å²	19.8	8%	0.083	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-44.5	175.4	-67.9	176.4	76.9	177.2	12.7	111.8	L469 T472 I507 D508 T509 A513 L514 L515 V537	L469-R511 HydrophobicContact CD1-CG 4.28Å; T472-R511 HydrophobicContact CG2-CB 4.2Å; T472-R511 HydrophobicContact CG2-CG 4.4Å; T472-R511 WeakPolarHBondContact OG1-CG 3.34Å; T472-R511 PolarHBondContact OG1-NE 2.81Å; T472-R511 PolarHBondContact OG1-NH2 2.87Å; I507-R511 HydrophobicContact CD1-CG 4.18Å; I507-R511 HydrophobicContact CG1-CG 4.23Å; I507-R511 WeakPolarHBondContact O-CB 3.15Å; I507-R511 VanDerWaalsContact O-CG 3.24Å; I507-R511 WeakPolarHBondContact O-CG 3.48Å; I507-R511 PolarHBondContact O-N 3.18Å; D508-R511 PolarHBondContact O-N 2.99Å; T509-R511 VanDerWaalsContact C-N 3.34Å; T509-R511 PolarHBondContact O-N 3.34Å; R511-A513 PolarHBondContact O-N 3.02Å; R511-L514 PolarHBondContact O-N 2.8Å; R511-L515 WeakPolarHBondContact O-CG 3.24Å; R511-L515 PolarHBondContact O-N 2.67Å; R511-L515 VanDerWaalsContact O-N 3.15Å; R511-V537 HydrophobicContact CB-CG1 4.44Å; R511-V537 HydrophobicContact CB-CG2 4.38Å
512	A	93.6	Very high	88.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-38.2	176.2	0	0	0	0	0	111.5	D508 T509 L515 F516 V537 L540 I541 I585	D508-A512 VanDerWaalsContact O-CB 3.27Å; D508-A512 WeakPolarHBondContact O-CB 3.42Å; D508-A512 PolarHBondContact O-N 3.44Å; T509-A512 PolarHBondContact O-N 2.72Å; A512-L515 PolarHBondContact O-N 3.4Å; A512-F516 VanDerWaalsContact O-CB 3.24Å; A512-F516 WeakPolarHBondContact O-CB 3.44Å; A512-F516 PolarHBondContact O-N 3.16Å; A512-V537 HydrophobicContact CB-CG1 4.03Å; A512-L540 HydrophobicContact CB-CB 3.87Å; A512-L540 HydrophobicContact CB-CD1 4.04Å; A512-I541 HydrophobicContact CB-CG1 4.11Å; A512-I585 HydrophobicContact CB-CD1 3.75Å
513	A	93.5	Very high	88.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-38.7	177.9	0	0	0	0	0	113.9	M496 V497 L500 T509 L510 R511 P517	M496-A513 HydrophobicContact CB-CB 4.03Å; M496-A513 HydrophobicContact CE-CB 4.12Å; V497-A513 HydrophobicContact CG2-CB 4.1Å; L500-A513 HydrophobicContact CD1-CB 3.34Å; T509-A513 WeakPolarHBondContact O-CB 3.46Å; T509-A513 PolarHBondContact O-N 2.94Å; L510-A513 PolarHBondContact O-N 3.37Å; R511-A513 PolarHBondContact O-N 3.02Å; A513-P517 WeakPolarHBondContact O-CD 3.39Å
514	L	92.3	Very high	89.1	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-40.4	173.4	-73.7	172	0	0	0	112.6	W454 L469 T472 W473 V497 L510 R511	W454-L514 HydrophobicContact CH2-CD2 4.12Å; L469-L514 HydrophobicContact CD1-CD1 3.49Å; L469-L514 VanDerWaalsContact CD1-CD1 3.49Å; L469-L514 HydrophobicContact CD1-CG 4.48Å; L469-L514 HydrophobicContact CG-CD1 4.15Å; T472-L514 HydrophobicContact CG2-CB 4.18Å; T472-L514 HydrophobicContact CG2-CD1 4.22Å; W473-L514 HydrophobicContact CE3-CD2 4.2Å; V497-L514 HydrophobicContact CG2-CD1 4.21Å; V497-L514 HydrophobicContact CG2-CD2 3.73Å; V497-L514 HydrophobicContact CG2-CG 3.49Å; V497-L514 VanDerWaalsContact CG2-CG 3.49Å; L510-L514 PolarHBondContact O-N 3.03Å; R511-L514 PolarHBondContact O-N 2.8Å
515	L	93.7	Very high	89.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-83.6	-24.8	-173.7	-69.2	166.7	0	0	0	113.2	T472 Y475 R511 A512 L518 A519 L529 V533 V537 I541	T472-L515 HydrophobicContact CG2-CD1 3.77Å; T472-L515 HydrophobicContact CG2-CD2 4Å; T472-L515 HydrophobicContact CG2-CG 3.64Å; Y475-L515 HydrophobicContact CD1-CD2 3.76Å; Y475-L515 HydrophobicContact CE1-CD2 4.05Å; R511-L515 WeakPolarHBondContact O-CG 3.24Å; R511-L515 PolarHBondContact O-N 2.67Å; R511-L515 VanDerWaalsContact O-N 3.15Å; A512-L515 PolarHBondContact O-N 3.4Å; L515-L518 PolarHBondContact O-N 3.07Å; L515-L518 VanDerWaalsContact O-N 3.11Å; L515-A519 PolarHBondContact O-N 3.35Å; L515-L529 HydrophobicContact CD1-CD2 4.28Å; L515-L529 HydrophobicContact CD2-CD2 3.96Å; L515-V533 HydrophobicContact CD1-CB 4.35Å; L515-V533 HydrophobicContact CD1-CG1 3.87Å; L515-V533 HydrophobicContact CD1-CG2 3.91Å; L515-V537 HydrophobicContact CD1-CG1 3.98Å; L515-I541 HydrophobicContact CB-CD1 3.66Å; L515-I541 HydrophobicContact CD1-CD1 4.28Å
516	F	93.3	Very high	90.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-53.4	-49.3	-175.9	170.2	-92.4	0	0	0	113	M496 A512 L518 A519 D520 V544 R545 E589	M496-F516 HydrophobicContact CE-CB 4.2Å; M496-F516 HydrophobicContact CE-CD1 3.92Å; M496-F516 HydrophobicContact CE-CG 4.32Å; M496-F516 HydrophobicContact SD-CD1 4.29Å; A512-F516 VanDerWaalsContact O-CB 3.24Å; A512-F516 WeakPolarHBondContact O-CB 3.44Å; A512-F516 PolarHBondContact O-N 3.16Å; F516-L518 VanDerWaalsContact C-N 3.27Å; F516-L518 PolarHBondContact O-N 2.9Å; F516-A519 PolarHBondContact O-N 2.97Å; F516-D520 HydrophobicContact CE1-CB 4.16Å; F516-D520 HydrophobicContact CE2-CB 4.25Å; F516-D520 HydrophobicContact CZ-CB 3.9Å; F516-D520 WeakPolarHBondContact O-CB 3.46Å; F516-D520 PolarHBondContact O-N 3.39Å; F516-V544 HydrophobicContact CD2-CB 3.8Å; F516-V544 HydrophobicContact CD2-CG1 3.44Å; F516-V544 VanDerWaalsContact CD2-CG1 3.44Å; F516-V544 HydrophobicContact CE1-CG1 4.45Å; F516-V544 HydrophobicContact CE2-CB 3.84Å; F516-V544 HydrophobicContact CE2-CG1 3.27Å; F516-V544 HydrophobicContact CG-CG1 4.11Å; F516-V544 HydrophobicContact CZ-CG1 3.83Å; F516-R545 HydrophobicContact CD2-CG 4.49Å; F516-R545 HydrophobicContact CE2-CG 3.89Å; F516-E589 HydrophobicContact CD1-CG 4.07Å; F516-E589 HydrophobicContact CE1-CB 4.47Å; F516-E589 HydrophobicContact CE1-CG 3.58Å; F516-E589 HydrophobicContact CZ-CG 4.43Å
517	P	91.6	Very high	90.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-36.1	178.9	-24.5	34.5	0	0	0	113.6	L489 R492 M496 A513 A521	L489-P517 HydrophobicContact CD2-CB 4.1Å; R492-P517 HydrophobicContact CB-CB 4.46Å; R492-P517 HydrophobicContact CB-CG 4.09Å; R492-P517 HydrophobicContact CG-CG 4Å; M496-P517 HydrophobicContact SD-CG 4.12Å; A513-P517 WeakPolarHBondContact O-CD 3.39Å; P517-A521 VanDerWaalsContact O-CB 3.27Å; P517-A521 WeakPolarHBondContact O-CB 3.24Å; P517-A521 PolarHBondContact O-N 2.93Å
518	L	91.4	Very high	90.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.5	-40.5	179.2	-80.9	64.5	0	0	0	111.4	C476 Q479 T480 L489 L515 F516 N522 V523 V524	C476-L518 HydrophobicContact CB-CD2 3.85Å; Q479-L518 HydrophobicContact CB-CD2 4.3Å; T480-L518 HydrophobicContact CG2-CD1 4Å; T480-L518 HydrophobicContact CG2-CD2 3.85Å; T480-L518 HydrophobicContact CG2-CG 3.77Å; L489-L518 HydrophobicContact CB-CD1 4.29Å; L515-L518 PolarHBondContact O-N 3.07Å; L515-L518 VanDerWaalsContact O-N 3.11Å; F516-L518 VanDerWaalsContact C-N 3.27Å; F516-L518 PolarHBondContact O-N 2.9Å; L518-N522 PolarHBondContact O-N 3.46Å; L518-V523 HydrophobicContact CB-CB 4.36Å; L518-V523 WeakPolarHBondContact O-CB 3.48Å; L518-V523 PolarHBondContact O-N 2.66Å; L518-V524 HydrophobicContact CB-CG2 3.94Å; L518-V524 PolarHBondContact O-N 2.78Å
519	A	90.7	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-39.2	176.4	0	0	0	0	0	111.9	L515 F516 N522 V524 L529 I541	L515-A519 PolarHBondContact O-N 3.35Å; F516-A519 PolarHBondContact O-N 2.97Å; A519-N522 PolarHBondContact O-N 3.35Å; A519-V524 HydrophobicContact CB-CG2 4.4Å; A519-L529 HydrophobicContact CB-CD1 4.05Å; A519-I541 HydrophobicContact CB-CG2 3.61Å
520	D	89	Confident	90.6	Very high	61 Å²	61	31.8 Å²	31.8	33%	0.326	17%	0.174	S	C	.	.	H	α-helix	trans	-68.6	-38.2	179	-164.2	53.4	0	0	0	112	F516 N522	F516-D520 HydrophobicContact CE1-CB 4.16Å; F516-D520 HydrophobicContact CE2-CB 4.25Å; F516-D520 HydrophobicContact CZ-CB 3.9Å; F516-D520 WeakPolarHBondContact O-CB 3.46Å; F516-D520 PolarHBondContact O-N 3.39Å; D520-N522 PolarHBondContact O-N 3.35Å
521	A	86.9	Confident	90.4	Very high	42 Å²	42	40 Å²	40	35%	0.347	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	2.8	173.2	0	0	0	0	0	114	L489 P517 V523	L489-A521 HydrophobicContact CD1-CB 4.08Å; L489-A521 HydrophobicContact CD2-CB 3.83Å; P517-A521 VanDerWaalsContact O-CB 3.27Å; P517-A521 WeakPolarHBondContact O-CB 3.24Å; P517-A521 PolarHBondContact O-N 2.93Å; A521-V523 HydrophobicContact CB-CG2 4Å; A521-V523 PolarHBondContact O-N 2.91Å
522	N	86.9	Confident	89.9	Confident	122 Å²	122	41.4 Å²	41.4	65%	0.652	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	28.7	-174.9	-56	-64	0	0	0	114.2	L518 A519 D520 V524 R545	L518-N522 PolarHBondContact O-N 3.46Å; A519-N522 PolarHBondContact O-N 3.35Å; D520-N522 PolarHBondContact O-N 3.35Å; N522-V524 VanDerWaalsContact C-N 3.3Å; N522-R545 PolarHBondContact OD1-NH2 3.19Å
523	V	88.5	Confident	89.5	Confident	36 Å²	36	42.3 Å²	42.3	22%	0.218	23%	0.23	C	C	.	.	S	Bend	trans	-70.2	-33.6	171.4	-179.8	0	0	0	0	110.1	Q479 L489 L518 A521	Q479-V523 HydrophobicContact CB-CG1 4.35Å; Q479-V523 WeakPolarHBondContact O-CG1 3.35Å; L489-V523 HydrophobicContact CD1-CG2 3.95Å; L518-V523 HydrophobicContact CB-CB 4.36Å; L518-V523 WeakPolarHBondContact O-CB 3.48Å; L518-V523 PolarHBondContact O-N 2.66Å; A521-V523 HydrophobicContact CB-CG2 4Å; A521-V523 PolarHBondContact O-N 2.91Å
524	V	89.3	Confident	89.2	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-132.8	143.6	177	-63.5	0	0	0	0	110.3	Y475 Q479 L518 A519 N522 L529	Y475-V524 HydrophobicContact CE1-CG1 4.23Å; Q479-V524 HydrophobicContact CB-CG1 3.87Å; Q479-V524 HydrophobicContact CG-CG1 3.77Å; L518-V524 HydrophobicContact CB-CG2 3.94Å; L518-V524 PolarHBondContact O-N 2.78Å; A519-V524 HydrophobicContact CB-CG2 4.4Å; N522-V524 VanDerWaalsContact C-N 3.3Å; V524-L529 HydrophobicContact CB-CD2 4.48Å; V524-L529 HydrophobicContact CG2-CD1 3.97Å; V524-L529 HydrophobicContact CG2-CD2 3.98Å; V524-L529 HydrophobicContact CG2-CG 4.06Å
525	S	90.6	Very high	89.1	Confident	60 Å²	60	50.3 Å²	50.3	42%	0.42	27%	0.273	S	S	.	.			trans	-89.3	154.3	175.7	73.2	0	0	0	0	111.9	D527 V528 L529	S525-D527 PolarHBondContact O-N 2.97Å; S525-V528 PolarHBondContact O-N 2.84Å; S525-V528 WeakPolarHBondContact OG-CG2 3.34Å; S525-L529 PolarHBondContact O-N 3.39Å; S525-L529 VanDerWaalsContact O-N 3.13Å
526	E	89	Confident	88.8	Confident	32 Å²	32	52.5 Å²	52.5	15%	0.15	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-28.6	178.4	-70.4	-179.9	-165.6	0	0	113.1	L529 R530 V538 H542 R545	E526-L529 PolarHBondContact O-N 2.8Å; E526-R530 WeakPolarHBondContact O-CB 3.41Å; E526-R530 PolarHBondContact O-N 2.82Å; E526-V538 HydrophobicContact CB-CG1 4.09Å; E526-V538 HydrophobicContact CG-CG1 4.5Å; E526-H542 IonicContact OE1-ND1 2.94Å; E526-H542 PolarHBondContact OE1-ND1 3.25Å; E526-H542 IonicContact OE2-CE1 2.7Å; E526-H542 IonicContact OE2-CG 3.53Å; E526-H542 IonicContact OE2-ND1 3.24Å; E526-H542 PolarHBondContact OE2-ND1 3.43Å; E526-R545 WeakPolarHBondContact OE1-CD 3.32Å; E526-R545 IonicContact OE1-CZ 3.71Å; E526-R545 IonicContact OE1-NH1 3.27Å; E526-R545 PolarHBondContact OE1-NH1 3.34Å
527	D	89.2	Confident	88.7	Confident	100 Å²	100	52.5 Å²	52.5	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-41.6	176.2	-66.2	-36.4	0	0	0	111.6	S525 R530 E531	S525-D527 PolarHBondContact O-N 2.97Å; D527-R530 WeakPolarHBondContact O-CB 3.38Å; D527-R530 PolarHBondContact O-N 2.89Å; D527-R530 IonicContact OD1-CZ 3.88Å; D527-R530 IonicContact OD1-NH1 2.59Å; D527-R530 PolarHBondContact OD1-NH1 3.49Å; D527-R530 IonicContact OD1-NH2 2.73Å; D527-R530 PolarHBondContact OD1-NH2 2.88Å; D527-E531 PolarHBondContact O-N 3.46Å
528	V	89.3	Confident	88.7	Confident	68 Å²	68	52.7 Å²	52.7	41%	0.412	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-42.2	175.6	175.5	0	0	0	0	110.6	Y475 S525 R530 E531 S532	Y475-V528 VanDerWaalsContact OH-CG1 3.28Å; Y475-V528 WeakPolarHBondContact OH-CG1 3.46Å; S525-V528 PolarHBondContact O-N 2.84Å; S525-V528 WeakPolarHBondContact OG-CG2 3.34Å; V528-R530 PolarHBondContact O-N 3.41Å; V528-E531 PolarHBondContact O-N 3.22Å; V528-S532 PolarHBondContact O-N 3.07Å; V528-S532 PolarHBondContact O-OG 3.16Å
529	L	89.6	Confident	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-32.2	176.7	-66.9	-179.9	0	0	0	112.2	Y475 L515 A519 V524 S525 E526 E531 S532 V533 V538 I541	Y475-L529 HydrophobicContact CE1-CD2 3.84Å; L515-L529 HydrophobicContact CD1-CD2 4.28Å; L515-L529 HydrophobicContact CD2-CD2 3.96Å; A519-L529 HydrophobicContact CB-CD1 4.05Å; V524-L529 HydrophobicContact CB-CD2 4.48Å; V524-L529 HydrophobicContact CG2-CD1 3.97Å; V524-L529 HydrophobicContact CG2-CD2 3.98Å; V524-L529 HydrophobicContact CG2-CG 4.06Å; S525-L529 PolarHBondContact O-N 3.39Å; S525-L529 VanDerWaalsContact O-N 3.13Å; E526-L529 PolarHBondContact O-N 2.8Å; L529-E531 VanDerWaalsContact C-N 3.27Å; L529-E531 PolarHBondContact O-N 2.99Å; L529-S532 PolarHBondContact O-N 3.44Å; L529-S532 PolarHBondContact O-OG 2.8Å; L529-V533 HydrophobicContact CB-CG2 4.28Å; L529-V533 WeakPolarHBondContact O-CG2 3.36Å; L529-V533 PolarHBondContact O-N 3.41Å; L529-V538 VanDerWaalsContact C-CG2 3.46Å; L529-V538 HydrophobicContact CB-CG2 3.65Å; L529-I541 HydrophobicContact CD1-CD1 3.74Å
530	R	90.2	Very high	88.5	Confident	106 Å²	106	57 Å²	57	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-36	-179.7	-165	179.4	-58.4	111.3	4.2	111.7	E526 D527 V528 G534 V538	E526-R530 WeakPolarHBondContact O-CB 3.41Å; E526-R530 PolarHBondContact O-N 2.82Å; D527-R530 WeakPolarHBondContact O-CB 3.38Å; D527-R530 PolarHBondContact O-N 2.89Å; D527-R530 IonicContact OD1-CZ 3.88Å; D527-R530 IonicContact OD1-NH1 2.59Å; D527-R530 PolarHBondContact OD1-NH1 3.49Å; D527-R530 IonicContact OD1-NH2 2.73Å; D527-R530 PolarHBondContact OD1-NH2 2.88Å; V528-R530 PolarHBondContact O-N 3.41Å; R530-G534 WeakPolarHBondContact O-CA 3.34Å; R530-G534 PolarHBondContact O-N 2.84Å; R530-V538 HydrophobicContact CB-CG2 4.02Å
531	E	86.3	Confident	88.6	Confident	179 Å²	179	54.1 Å²	54.1	84%	0.836	30%	0.297	S	S	*	.	H	α-helix	trans	-75.1	-38.1	176.7	-66.5	-175.7	174	0	0	112.4	D527 V528 L529	D527-E531 PolarHBondContact O-N 3.46Å; V528-E531 PolarHBondContact O-N 3.22Å; L529-E531 VanDerWaalsContact C-N 3.27Å; L529-E531 PolarHBondContact O-N 2.99Å
532	S	83.9	Confident	88.7	Confident	50 Å²	50	56 Å²	56	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-86	-41.1	-173.1	62.7	0	0	0	0	114.7	V528 L529	V528-S532 PolarHBondContact O-N 3.07Å; V528-S532 PolarHBondContact O-OG 3.16Å; L529-S532 PolarHBondContact O-N 3.44Å; L529-S532 PolarHBondContact O-OG 2.8Å
533	V	85.3	Confident	88.6	Confident	19 Å²	19	50.4 Å²	50.4	12%	0.115	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-12.4	-173.1	-61.2	0	0	0	0	114.3	L515 L529 V537	L515-V533 HydrophobicContact CD1-CB 4.35Å; L515-V533 HydrophobicContact CD1-CG1 3.87Å; L515-V533 HydrophobicContact CD1-CG2 3.91Å; L529-V533 HydrophobicContact CB-CG2 4.28Å; L529-V533 WeakPolarHBondContact O-CG2 3.36Å; L529-V533 PolarHBondContact O-N 3.41Å; V533-V537 HydrophobicContact CB-CB 4.34Å; V533-V537 HydrophobicContact CB-CG1 4.37Å; V533-V537 HydrophobicContact CB-CG2 4.49Å; V533-V537 HydrophobicContact CG2-CB 3.8Å; V533-V537 HydrophobicContact CG2-CG1 3.71Å; V533-V537 HydrophobicContact CG2-CG2 4.48Å
534	G	87.1	Confident	88.6	Confident	27 Å²	27	48.7 Å²	48.7	28%	0.278	26%	0.259	S	S	.	.			trans	96.1	167.5	175.2	0	0	0	0	0	114.8	R530 S536 V538	R530-G534 WeakPolarHBondContact O-CA 3.34Å; R530-G534 PolarHBondContact O-N 2.84Å; G534-S536 PolarHBondContact O-N 3.17Å; G534-V538 PolarHBondContact O-N 3.49Å
535	K	89.7	Confident	88.4	Confident	145 Å²	145	51.7 Å²	51.7	63%	0.63	27%	0.269	S	S	*	.	H	α-helix	trans	-64.2	-35.3	-170.9	-170.7	178.5	-179.6	-178.1	0	114.1	V538 N539	K535-V538 PolarHBondContact O-N 3.06Å; K535-N539 WeakPolarHBondContact O-CB 3.32Å; K535-N539 PolarHBondContact O-N 2.94Å; K535-N539 PolarHBondContact O-OD1 3.35Å
536	S	87.1	Confident	87.9	Confident	45 Å²	45	50.7 Å²	50.7	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-53.4	-179.3	-177.4	0	0	0	0	111	D508 G534 V538 N539 L540	D508-S536 VanDerWaalsContact OD2-CB 3.23Å; D508-S536 WeakPolarHBondContact OD2-CB 3.45Å; D508-S536 PolarHBondContact OD2-OG 2.73Å; G534-S536 PolarHBondContact O-N 3.17Å; S536-V538 PolarHBondContact O-N 2.98Å; S536-N539 PolarHBondContact O-N 2.67Å; S536-L540 WeakPolarHBondContact O-CG 3.38Å; S536-L540 PolarHBondContact O-N 3.32Å; S536-L540 VanDerWaalsContact O-N 3.15Å
537	V	91	Very high	87.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-41	-179.8	-179.8	0	0	0	0	111.7	D508 R511 A512 L515 V533 L540 I541	D508-V537 HydrophobicContact CB-CG2 4Å; R511-V537 HydrophobicContact CB-CG1 4.44Å; R511-V537 HydrophobicContact CB-CG2 4.38Å; A512-V537 HydrophobicContact CB-CG1 4.03Å; L515-V537 HydrophobicContact CD1-CG1 3.98Å; V533-V537 HydrophobicContact CB-CB 4.34Å; V533-V537 HydrophobicContact CB-CG1 4.37Å; V533-V537 HydrophobicContact CB-CG2 4.49Å; V533-V537 HydrophobicContact CG2-CB 3.8Å; V533-V537 HydrophobicContact CG2-CG1 3.71Å; V533-V537 HydrophobicContact CG2-CG2 4.48Å; V537-L540 WeakPolarHBondContact O-CB 3.44Å; V537-L540 PolarHBondContact O-N 3.02Å; V537-I541 HydrophobicContact CG1-CD1 4Å; V537-I541 WeakPolarHBondContact O-CG1 3.38Å; V537-I541 PolarHBondContact O-N 3.41Å
538	V	92.2	Very high	86.2	Confident	3 Å²	3	46 Å²	46	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-42.1	177.6	174.6	0	0	0	0	112.1	E526 L529 R530 G534 K535 S536 L540 I541 H542	E526-V538 HydrophobicContact CB-CG1 4.09Å; E526-V538 HydrophobicContact CG-CG1 4.5Å; L529-V538 VanDerWaalsContact C-CG2 3.46Å; L529-V538 HydrophobicContact CB-CG2 3.65Å; R530-V538 HydrophobicContact CB-CG2 4.02Å; G534-V538 PolarHBondContact O-N 3.49Å; K535-V538 PolarHBondContact O-N 3.06Å; S536-V538 PolarHBondContact O-N 2.98Å; V538-L540 VanDerWaalsContact C-N 3.26Å; V538-L540 PolarHBondContact O-N 3.02Å; V538-I541 PolarHBondContact O-N 3.32Å; V538-H542 WeakPolarHBondContact O-CB 3.39Å; V538-H542 PolarHBondContact O-N 3.1Å
539	N	88	Confident	84.9	Confident	91 Å²	91	43.8 Å²	43.8	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-38.6	176.1	-73.3	0.1	0	0	0	111.4	K535 S536 G543	K535-N539 WeakPolarHBondContact O-CB 3.32Å; K535-N539 PolarHBondContact O-N 2.94Å; K535-N539 PolarHBondContact O-OD1 3.35Å; S536-N539 PolarHBondContact O-N 2.67Å; N539-G543 PolarHBondContact O-N 3.35Å
540	L	89.6	Confident	83.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-49.8	174.2	-67.2	177.5	0	0	0	111.5	D508 A512 S536 V537 V538 H542 G543 V544 D579 R581 I585	D508-L540 HydrophobicContact CB-CD1 4.22Å; A512-L540 HydrophobicContact CB-CB 3.87Å; A512-L540 HydrophobicContact CB-CD1 4.04Å; S536-L540 WeakPolarHBondContact O-CG 3.38Å; S536-L540 PolarHBondContact O-N 3.32Å; S536-L540 VanDerWaalsContact O-N 3.15Å; V537-L540 WeakPolarHBondContact O-CB 3.44Å; V537-L540 PolarHBondContact O-N 3.02Å; V538-L540 VanDerWaalsContact C-N 3.26Å; V538-L540 PolarHBondContact O-N 3.02Å; L540-H542 VanDerWaalsContact C-N 3.33Å; L540-H542 PolarHBondContact O-N 3.37Å; L540-G543 PolarHBondContact O-N 3.09Å; L540-V544 WeakPolarHBondContact O-CG2 3.4Å; L540-V544 PolarHBondContact O-N 3.02Å; L540-D579 HydrophobicContact CD2-CB 4.17Å; L540-D579 WeakPolarHBondContact CD2-OD2 3.37Å; L540-R581 HydrophobicContact CD2-CB 3.65Å; L540-I585 HydrophobicContact CB-CD1 4.18Å; L540-I585 HydrophobicContact CD1-CD1 4.34Å
541	I	91.2	Very high	82	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-45.6	179.5	-67.4	168.4	0	0	0	110.7	A512 L515 A519 L529 V537 V538 G543 V544 R545	A512-I541 HydrophobicContact CB-CG1 4.11Å; L515-I541 HydrophobicContact CB-CD1 3.66Å; L515-I541 HydrophobicContact CD1-CD1 4.28Å; A519-I541 HydrophobicContact CB-CG2 3.61Å; L529-I541 HydrophobicContact CD1-CD1 3.74Å; V537-I541 HydrophobicContact CG1-CD1 4Å; V537-I541 WeakPolarHBondContact O-CG1 3.38Å; V537-I541 PolarHBondContact O-N 3.41Å; V538-I541 PolarHBondContact O-N 3.32Å; I541-G543 PolarHBondContact O-N 3.03Å; I541-V544 PolarHBondContact O-N 2.94Å; I541-R545 WeakPolarHBondContact O-CG 3.42Å; I541-R545 PolarHBondContact O-N 3.13Å
542	H	88.5	Confident	80.6	Confident	81 Å²	81	41.3 Å²	41.3	38%	0.375	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-48.5	177.1	-168.6	78.2	0	0	0	111.3	E526 V538 L540 V544 R545 D546	E526-H542 IonicContact OE1-ND1 2.94Å; E526-H542 PolarHBondContact OE1-ND1 3.25Å; E526-H542 IonicContact OE2-CE1 2.7Å; E526-H542 IonicContact OE2-CG 3.53Å; E526-H542 IonicContact OE2-ND1 3.24Å; E526-H542 PolarHBondContact OE2-ND1 3.43Å; V538-H542 WeakPolarHBondContact O-CB 3.39Å; V538-H542 PolarHBondContact O-N 3.1Å; L540-H542 VanDerWaalsContact C-N 3.33Å; L540-H542 PolarHBondContact O-N 3.37Å; H542-V544 VanDerWaalsContact C-N 3.29Å; H542-V544 PolarHBondContact O-N 2.94Å; H542-R545 WeakPolarHBondContact O-CB 3.23Å; H542-R545 PolarHBondContact O-N 3.49Å; H542-R545 VanDerWaalsContact O-N 3.11Å; H542-D546 IonicContact CD2-OD2 2.61Å; H542-D546 IonicContact NE2-OD2 2.69Å; H542-D546 PolarHBondContact O-N 3.46Å
543	G	85.2	Confident	79.1	Confident	4 Å²	4	41.9 Å²	41.9	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-34.2	177	0	0	0	0	0	113.5	N539 L540 I541 M547	N539-G543 PolarHBondContact O-N 3.35Å; L540-G543 PolarHBondContact O-N 3.09Å; I541-G543 PolarHBondContact O-N 3.03Å; G543-M547 PolarHBondContact O-N 3.05Å
544	V	88.6	Confident	77.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-37.8	174.7	-178.4	0	0	0	0	111.5	F516 L540 I541 H542 M547 C582 I585 K586	F516-V544 HydrophobicContact CD2-CB 3.8Å; F516-V544 HydrophobicContact CD2-CG1 3.44Å; F516-V544 VanDerWaalsContact CD2-CG1 3.44Å; F516-V544 HydrophobicContact CE1-CG1 4.45Å; F516-V544 HydrophobicContact CE2-CB 3.84Å; F516-V544 HydrophobicContact CE2-CG1 3.27Å; F516-V544 HydrophobicContact CG-CG1 4.11Å; F516-V544 HydrophobicContact CZ-CG1 3.83Å; L540-V544 WeakPolarHBondContact O-CG2 3.4Å; L540-V544 PolarHBondContact O-N 3.02Å; I541-V544 PolarHBondContact O-N 2.94Å; H542-V544 VanDerWaalsContact C-N 3.29Å; H542-V544 PolarHBondContact O-N 2.94Å; V544-M547 HydrophobicContact CG2-CE 4.49Å; V544-M547 PolarHBondContact O-N 2.79Å; V544-C582 HydrophobicContact CG2-CB 4.21Å; V544-C582 WeakPolarHBondContact CG2-O 3.29Å; V544-I585 HydrophobicContact CG1-CG2 4.16Å; V544-I585 HydrophobicContact CG2-CB 3.74Å; V544-I585 HydrophobicContact CG2-CD1 4.21Å; V544-I585 HydrophobicContact CG2-CG2 3.66Å; V544-K586 HydrophobicContact CG1-CB 4.22Å; V544-K586 HydrophobicContact CG1-CD 3.82Å
545	R	85.8	Confident	75.4	Confident	73 Å²	73	47.1 Å²	47.1	28%	0.275	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-41.5	175.3	-69.3	177.8	76.5	-176	13.7	112	F516 N522 E526 I541 H542 M547 A548	F516-R545 HydrophobicContact CD2-CG 4.49Å; F516-R545 HydrophobicContact CE2-CG 3.89Å; N522-R545 PolarHBondContact OD1-NH2 3.19Å; E526-R545 WeakPolarHBondContact OE1-CD 3.32Å; E526-R545 IonicContact OE1-CZ 3.71Å; E526-R545 IonicContact OE1-NH1 3.27Å; E526-R545 PolarHBondContact OE1-NH1 3.34Å; I541-R545 WeakPolarHBondContact O-CG 3.42Å; I541-R545 PolarHBondContact O-N 3.13Å; H542-R545 WeakPolarHBondContact O-CB 3.23Å; H542-R545 PolarHBondContact O-N 3.49Å; H542-R545 VanDerWaalsContact O-N 3.11Å; R545-M547 PolarHBondContact O-N 2.85Å; R545-A548 WeakPolarHBondContact O-CB 3.45Å; R545-A548 PolarHBondContact O-N 3.35Å
546	D	78.6	Confident	72.9	Confident	40 Å²	40	43.8 Å²	43.8	21%	0.214	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-34	175.6	-79.6	-20.3	0	0	0	111.8	H542 A548 A549 A575	H542-D546 IonicContact CD2-OD2 2.61Å; H542-D546 IonicContact NE2-OD2 2.69Å; H542-D546 PolarHBondContact O-N 3.46Å; D546-A548 PolarHBondContact O-N 3Å; D546-A549 VanDerWaalsContact O-CB 3.24Å; D546-A549 WeakPolarHBondContact O-CB 3.36Å; D546-A549 PolarHBondContact O-N 2.68Å; D546-A575 HydrophobicContact CB-CB 4.21Å
547	M	75.2	Confident	70.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-69.6	-15.5	173.8	-69.3	-166.6	-80.2	0	0	114.5	G543 V544 R545 A549 I550 M572 M576 C582 V583 K586	G543-M547 PolarHBondContact O-N 3.05Å; V544-M547 HydrophobicContact CG2-CE 4.49Å; V544-M547 PolarHBondContact O-N 2.79Å; R545-M547 PolarHBondContact O-N 2.85Å; M547-A549 PolarHBondContact O-N 2.81Å; M547-I550 WeakPolarHBondContact O-CB 3.43Å; M547-I550 VanDerWaalsContact O-CD1 3.28Å; M547-I550 WeakPolarHBondContact O-CD1 3.3Å; M547-I550 WeakPolarHBondContact O-CG1 3.48Å; M547-I550 PolarHBondContact O-N 3.14Å; M547-M572 HydrophobicContact CB-CG 4.29Å; M547-M572 HydrophobicContact CG-CG 3.83Å; M547-M576 HydrophobicContact CG-CE 4.17Å; M547-M576 HydrophobicContact SD-CE 3.45Å; M547-M576 WeakPolarHBondContact SD-CE 3.45Å; M547-M576 HydrophobicContact SD-CG 3.92Å; M547-C582 HydrophobicContact CE-CB 3.79Å; M547-C582 WeakPolarHBondContact CE-O 3.49Å; M547-V583 HydrophobicContact CE-CG2 4.43Å; M547-V583 HydrophobicContact SD-CG2 4.07Å; M547-K586 HydrophobicContact CB-CD 4.28Å; M547-K586 HydrophobicContact CB-CG 4.16Å; M547-K586 HydrophobicContact CE-CB 3.39Å; M547-K586 HydrophobicContact CE-CG 3.92Å; M547-K586 HydrophobicContact SD-CB 4.14Å; M547-K586 HydrophobicContact SD-CG 4.22Å
548	A	68.4	Low	68.5	Low	32 Å²	32	55.8 Å²	55.8	26%	0.264	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.6	172.5	0	0	0	0	0	112.3	R545 D546 I550 R551	R545-A548 WeakPolarHBondContact O-CB 3.45Å; R545-A548 PolarHBondContact O-N 3.35Å; D546-A548 PolarHBondContact O-N 3Å; A548-I550 PolarHBondContact O-N 2.69Å; A548-R551 PolarHBondContact O-N 2.9Å
549	A	60.7	Low	66.1	Low	23 Å²	23	63.1 Å²	63.1	19%	0.19	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61.3	-15.8	176.9	0	0	0	0	0	113.2	D546 M547 R551 Q552 N568	D546-A549 VanDerWaalsContact O-CB 3.24Å; D546-A549 WeakPolarHBondContact O-CB 3.36Å; D546-A549 PolarHBondContact O-N 2.68Å; M547-A549 PolarHBondContact O-N 2.81Å; A549-R551 PolarHBondContact O-N 3.39Å; A549-R551 VanDerWaalsContact O-N 3.15Å; A549-Q552 WeakPolarHBondContact O-CB 3.38Å; A549-Q552 PolarHBondContact O-N 2.98Å; A549-N568 HydrophobicContact CB-CB 3.8Å
550	I	61	Low	64.2	Low	2 Å²	2	63 Å²	63	1%	0.01	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-48.2	-37.2	167.7	-72.8	173	0	0	0	112.6	M547 A548 Q552 L553 M572 I615 Y616	M547-I550 WeakPolarHBondContact O-CB 3.43Å; M547-I550 VanDerWaalsContact O-CD1 3.28Å; M547-I550 WeakPolarHBondContact O-CD1 3.3Å; M547-I550 WeakPolarHBondContact O-CG1 3.48Å; M547-I550 PolarHBondContact O-N 3.14Å; A548-I550 PolarHBondContact O-N 2.69Å; I550-Q552 PolarHBondContact O-N 2.72Å; I550-Q552 VanDerWaalsContact O-N 3.15Å; I550-L553 WeakPolarHBondContact O-CB 3.29Å; I550-L553 PolarHBondContact O-N 3.28Å; I550-L553 VanDerWaalsContact O-N 3.09Å; I550-M572 HydrophobicContact CD1-CG 4.22Å; I550-M572 HydrophobicContact CD1-SD 3.27Å; I550-M572 WeakPolarHBondContact CD1-SD 3.36Å; I550-M572 HydrophobicContact CG1-CG 4.13Å; I550-M572 HydrophobicContact CG1-SD 3.07Å; I550-M572 WeakPolarHBondContact CG1-SD 3.39Å; I550-I615 HydrophobicContact CD1-CG2 4.09Å; I550-I615 HydrophobicContact CG2-CD1 3.3Å; I550-I615 HydrophobicContact CG2-CG2 4.16Å; I550-Y616 HydrophobicContact CD1-CE1 4.01Å
551	R	58.4	Low	62.3	Low	138 Å²	138	64.5 Å²	64.5	52%	0.521	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29.2	-178.8	-82	-176.2	158	-171.6	-4	112.9	A548 A549 L553 K554 E611	A548-R551 PolarHBondContact O-N 2.9Å; A549-R551 PolarHBondContact O-N 3.39Å; A549-R551 VanDerWaalsContact O-N 3.15Å; R551-L553 PolarHBondContact O-N 3.45Å; R551-K554 PolarHBondContact O-N 2.87Å; R551-E611 IonicContact NE-OE2 3.39Å
552	Q	56.5	Low	60.6	Low	92 Å²	92	66.8 Å²	66.8	43%	0.43	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-72.3	-15.1	-179.1	-62.6	-171.1	-7.7	0	0	113.7	A549 I550 K554 Q565 N568	A549-Q552 WeakPolarHBondContact O-CB 3.38Å; A549-Q552 PolarHBondContact O-N 2.98Å; I550-Q552 PolarHBondContact O-N 2.72Å; I550-Q552 VanDerWaalsContact O-N 3.15Å; Q552-K554 VanDerWaalsContact C-N 3.29Å; Q552-Q565 PolarHBondContact O-NE2 3.4Å; Q552-Q565 VanDerWaalsContact O-NE2 3.13Å; Q552-N568 PolarHBondContact OE1-ND2 3.04Å
553	L	52.5	Low	59.1	Low	63 Å²	63	67.3 Å²	67.3	33%	0.33	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-71.1	-22.9	172.9	-78.6	166.7	0	0	0	113.2	I550 R551 V569	I550-L553 WeakPolarHBondContact O-CB 3.29Å; I550-L553 PolarHBondContact O-N 3.28Å; I550-L553 VanDerWaalsContact O-N 3.09Å; R551-L553 PolarHBondContact O-N 3.45Å; L553-V569 HydrophobicContact CD1-CG2 3.61Å; L553-V569 HydrophobicContact CD2-CG2 3.77Å; L553-V569 HydrophobicContact CG-CG2 3.83Å
554	K	48.9	Very low	57.8	Low	76 Å²	76	73.6 Å²	73.6	33%	0.33	40%	0.403	S	S	.	.	S	Bend	trans	-97.2	-7.2	-175.2	-70.7	-165.5	173.6	-151.9	0	114.4	R551 Q552 T556 K610 E611	R551-K554 PolarHBondContact O-N 2.87Å; Q552-K554 VanDerWaalsContact C-N 3.29Å; K554-T556 PolarHBondContact O-N 2.77Å; K554-K610 PolarHBondContact NZ-O 3.14Å; K554-E611 VanDerWaalsContact NZ-N 3.11Å
555	A	47.2	Very low	56.1	Low	80 Å²	80	74.9 Å²	74.9	66%	0.661	41%	0.409	S	S	*	.	S	Bend	trans	-83.3	3.3	-166.7	0	0	0	0	0	115.6
556	T	36.4	Very low	54.6	Low	75 Å²	75	71.8 Å²	71.8	46%	0.46	40%	0.399	S	S	.	.			trans	-146.5	111.4	-169.6	12.4	0	0	0	0	114.8	K554 T558 Q565	K554-T556 PolarHBondContact O-N 2.77Å; T556-T558 VanDerWaalsContact CG2-OG1 3.26Å; T556-T558 WeakPolarHBondContact CG2-OG1 3.43Å; T556-T558 PolarHBondContact O-N 2.78Å; T556-Q565 PolarHBondContact OG1-NE2 3.29Å
557	H	45.4	Very low	53.8	Low	206 Å²	206	73 Å²	73	95%	0.954	41%	0.406	S	S	*	.			trans	-78.4	29.3	166.1	-91.8	-78	0	0	0	112.6
558	T	40.1	Very low	53	Low	91 Å²	91	74 Å²	74	56%	0.558	41%	0.41	S	S	*	.	S	Bend	trans	-128.4	127.1	-173.4	41.8	0	0	0	0	110.7	T556 S560	T556-T558 VanDerWaalsContact CG2-OG1 3.26Å; T556-T558 WeakPolarHBondContact CG2-OG1 3.43Å; T556-T558 PolarHBondContact O-N 2.78Å; T558-S560 PolarHBondContact O-N 3.27Å
559	D	42.3	Very low	52.4	Low	157 Å²	157	73 Å²	73	84%	0.84	40%	0.401	S	S	*	.	S	Bend	trans	-60.1	36.8	-169.8	-62.1	-41.9	0	0	0	117
560	S	48	Very low	52.5	Low	89 Å²	89	73.2 Å²	73.2	62%	0.622	40%	0.397	S	S	*	.			trans	-146.2	107.3	171.1	67.2	0	0	0	0	111.4	T558 S562	T558-S560 PolarHBondContact O-N 3.27Å; S560-S562 PolarHBondContact O-N 2.8Å
561	V	50.6	Low	52.6	Low	31 Å²	31	79.3 Å²	79.3	19%	0.188	42%	0.42	C	S	.	.			trans	-64.8	121	168.2	-175.7	0	0	0	0	108.4	Q565 V566 V831	V561-Q565 HydrophobicContact CG1-CB 4.29Å; V561-V566 HydrophobicContact CG1-CG2 3.94Å; V561-V831 HydrophobicContact CB-CG2 4.5Å; V561-V831 HydrophobicContact CG1-CG2 4.07Å; V561-V831 HydrophobicContact CG2-CG2 3.64Å
562	S	55.1	Low	52.9	Low	50 Å²	50	73.3 Å²	73.3	35%	0.35	40%	0.398	S	S	.	.			trans	-77.4	148.1	176.6	73.8	0	0	0	0	110.8	S560 E564 Q565 V566	S560-S562 PolarHBondContact O-N 2.8Å; S562-E564 PolarHBondContact O-N 3.45Å; S562-E564 VanDerWaalsContact O-N 3.13Å; S562-Q565 WeakPolarHBondContact O-CB 3.17Å; S562-Q565 PolarHBondContact O-N 2.89Å; S562-Q565 WeakPolarHBondContact OG-CG 3.13Å; S562-Q565 PolarHBondContact OG-N 2.94Å; S562-V566 PolarHBondContact O-N 3.46Å
563	S	57.1	Low	53.2	Low	92 Å²	92	70.1 Å²	70.1	64%	0.643	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-28.9	175.9	56.3	0	0	0	0	112.7	V566 D567	S563-V566 PolarHBondContact O-N 3.4Å; S563-D567 PolarHBondContact O-N 2.88Å; S563-D567 VanDerWaalsContact O-N 3.11Å
564	E	57.4	Low	53.8	Low	135 Å²	135	69.5 Å²	69.5	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-37.3	175.4	-66.4	-171.5	158.2	0	0	112.6	S562 D567 N568	S562-E564 PolarHBondContact O-N 3.45Å; S562-E564 VanDerWaalsContact O-N 3.13Å; E564-D567 PolarHBondContact O-N 3.46Å; E564-N568 WeakPolarHBondContact O-CB 3.21Å; E564-N568 PolarHBondContact O-N 2.88Å; E564-N568 PolarHBondContact O-ND2 3.45Å
565	Q	51.7	Low	54.6	Low	27 Å²	27	66.4 Å²	66.4	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-42.2	177.5	-73.4	169.1	-37.2	0	0	111.1	Q552 T556 V561 S562 N568 V569	Q552-Q565 PolarHBondContact O-NE2 3.4Å; Q552-Q565 VanDerWaalsContact O-NE2 3.13Å; T556-Q565 PolarHBondContact OG1-NE2 3.29Å; V561-Q565 HydrophobicContact CG1-CB 4.29Å; S562-Q565 WeakPolarHBondContact O-CB 3.17Å; S562-Q565 PolarHBondContact O-N 2.89Å; S562-Q565 WeakPolarHBondContact OG-CG 3.13Å; S562-Q565 PolarHBondContact OG-N 2.94Å; Q565-N568 PolarHBondContact O-N 3.35Å; Q565-V569 WeakPolarHBondContact O-CG2 3.45Å; Q565-V569 PolarHBondContact O-N 2.82Å
566	V	55.4	Low	55.4	Low	9 Å²	9	62.7 Å²	62.7	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.4	162.9	0	0	0	0	111.4	V561 S562 S563 N568 V569 R570 Q834 V835	V561-V566 HydrophobicContact CG1-CG2 3.94Å; S562-V566 PolarHBondContact O-N 3.46Å; S563-V566 PolarHBondContact O-N 3.4Å; V566-N568 VanDerWaalsContact C-N 3.28Å; V566-N568 PolarHBondContact O-N 2.99Å; V566-V569 PolarHBondContact O-N 2.85Å; V566-R570 WeakPolarHBondContact O-CB 3.34Å; V566-R570 PolarHBondContact O-N 3.48Å; V566-Q834 HydrophobicContact CG2-CB 4.48Å; V566-V835 HydrophobicContact CB-CG2 4.06Å; V566-V835 HydrophobicContact CG1-CB 4.43Å; V566-V835 HydrophobicContact CG1-CG2 3.68Å; V566-V835 HydrophobicContact CG2-CG2 3.75Å
567	D	61	Low	56.6	Low	66 Å²	66	59.5 Å²	59.5	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-31.2	178.6	-80.8	-9.9	0	0	0	112.9	S563 E564 R570 R571	S563-D567 PolarHBondContact O-N 2.88Å; S563-D567 VanDerWaalsContact O-N 3.11Å; E564-D567 PolarHBondContact O-N 3.46Å; D567-R570 PolarHBondContact O-N 3.15Å; D567-R570 IonicContact OD1-CZ 3.3Å; D567-R570 IonicContact OD1-NH1 2.86Å; D567-R570 PolarHBondContact OD1-NH1 3.42Å; D567-R570 IonicContact OD1-NH2 2.8Å; D567-R571 WeakPolarHBondContact O-CB 3.44Å; D567-R571 PolarHBondContact O-N 3.08Å
568	N	58.1	Low	57.6	Low	19 Å²	19	54.1 Å²	54.1	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-41.9	177.1	-77.1	-11.8	0	0	0	112.6	A549 Q552 E564 Q565 V566 R570 R571 M572	A549-N568 HydrophobicContact CB-CB 3.8Å; Q552-N568 PolarHBondContact OE1-ND2 3.04Å; E564-N568 WeakPolarHBondContact O-CB 3.21Å; E564-N568 PolarHBondContact O-N 2.88Å; E564-N568 PolarHBondContact O-ND2 3.45Å; Q565-N568 PolarHBondContact O-N 3.35Å; V566-N568 VanDerWaalsContact C-N 3.28Å; V566-N568 PolarHBondContact O-N 2.99Å; N568-R570 VanDerWaalsContact C-N 3.28Å; N568-R570 PolarHBondContact O-N 2.83Å; N568-R571 PolarHBondContact O-N 3.05Å; N568-R571 PolarHBondContact OD1-NH2 3.12Å; N568-M572 WeakPolarHBondContact O-CB 3.44Å; N568-M572 PolarHBondContact O-N 3.1Å
569	V	57.3	Low	59.1	Low	12 Å²	12	51.2 Å²	51.2	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-40.5	170.2	175.6	0	0	0	0	110.8	L553 Q565 V566 M572 L573	L553-V569 HydrophobicContact CD1-CG2 3.61Å; L553-V569 HydrophobicContact CD2-CG2 3.77Å; L553-V569 HydrophobicContact CG-CG2 3.83Å; Q565-V569 WeakPolarHBondContact O-CG2 3.45Å; Q565-V569 PolarHBondContact O-N 2.82Å; V566-V569 PolarHBondContact O-N 2.85Å; V569-M572 HydrophobicContact CG1-CE 4.26Å; V569-M572 WeakPolarHBondContact O-CB 3.36Å; V569-M572 PolarHBondContact O-N 2.82Å; V569-L573 HydrophobicContact CG1-CD1 3.86Å; V569-L573 VanDerWaalsContact O-CG 3.29Å; V569-L573 WeakPolarHBondContact O-CG 3.47Å; V569-L573 PolarHBondContact O-N 3.41Å
570	R	61.9	Low	60.7	Low	27 Å²	27	44.3 Å²	44.3	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-47.7	176	-169	-175.3	-60.4	128.6	7.8	111.8	V566 D567 N568 M572 L573 L574 Y841	V566-R570 WeakPolarHBondContact O-CB 3.34Å; V566-R570 PolarHBondContact O-N 3.48Å; D567-R570 PolarHBondContact O-N 3.15Å; D567-R570 IonicContact OD1-CZ 3.3Å; D567-R570 IonicContact OD1-NH1 2.86Å; D567-R570 PolarHBondContact OD1-NH1 3.42Å; D567-R570 IonicContact OD1-NH2 2.8Å; N568-R570 VanDerWaalsContact C-N 3.28Å; N568-R570 PolarHBondContact O-N 2.83Å; R570-M572 VanDerWaalsContact C-N 3.34Å; R570-M572 PolarHBondContact O-N 3.07Å; R570-L573 PolarHBondContact O-N 2.87Å; R570-L574 HydrophobicContact CG-CD1 3.99Å; R570-L574 HydrophobicContact CG-CG 4.4Å; R570-L574 WeakPolarHBondContact O-CB 3.34Å; R570-L574 WeakPolarHBondContact O-CG 3.3Å; R570-L574 PolarHBondContact O-N 3.06Å; R570-Y841 WeakPolarHBondContact CG-OH 3.47Å
571	R	63.6	Low	62.4	Low	131 Å²	131	41.6 Å²	41.6	49%	0.494	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-45.6	176.6	-87.4	-174	-88.4	176.7	-8.3	111.8	D567 N568 L573 L574 A575	D567-R571 WeakPolarHBondContact O-CB 3.44Å; D567-R571 PolarHBondContact O-N 3.08Å; N568-R571 PolarHBondContact O-N 3.05Å; N568-R571 PolarHBondContact OD1-NH2 3.12Å; R571-L573 VanDerWaalsContact C-N 3.33Å; R571-L573 PolarHBondContact O-N 2.94Å; R571-L574 PolarHBondContact O-N 3.26Å; R571-A575 WeakPolarHBondContact O-CB 3.26Å; R571-A575 PolarHBondContact O-N 2.94Å
572	M	64.8	Low	64.1	Low	11 Å²	11	40.2 Å²	40.2	5%	0.054	21%	0.208	C	C	.	.	H	α-helix	trans	-53.5	-49.9	173.5	176.2	-158.5	74.7	0	0	111.3	M547 I550 N568 V569 R570 M576	M547-M572 HydrophobicContact CB-CG 4.29Å; M547-M572 HydrophobicContact CG-CG 3.83Å; I550-M572 HydrophobicContact CD1-CG 4.22Å; I550-M572 HydrophobicContact CD1-SD 3.27Å; I550-M572 WeakPolarHBondContact CD1-SD 3.36Å; I550-M572 HydrophobicContact CG1-CG 4.13Å; I550-M572 HydrophobicContact CG1-SD 3.07Å; I550-M572 WeakPolarHBondContact CG1-SD 3.39Å; N568-M572 WeakPolarHBondContact O-CB 3.44Å; N568-M572 PolarHBondContact O-N 3.1Å; V569-M572 HydrophobicContact CG1-CE 4.26Å; V569-M572 WeakPolarHBondContact O-CB 3.36Å; V569-M572 PolarHBondContact O-N 2.82Å; R570-M572 VanDerWaalsContact C-N 3.34Å; R570-M572 PolarHBondContact O-N 3.07Å; M572-M576 HydrophobicContact CE-CE 4.22Å; M572-M576 HydrophobicContact CE-SD 4.31Å; M572-M576 HydrophobicContact CG-CE 3.77Å; M572-M576 HydrophobicContact CG-SD 4.27Å; M572-M576 WeakPolarHBondContact O-CB 3.27Å; M572-M576 WeakPolarHBondContact O-CG 3.44Å; M572-M576 PolarHBondContact O-N 3.31Å; M572-M576 HydrophobicContact SD-CE 3.9Å
573	L	63.2	Low	65.5	Low	25 Å²	25	37.9 Å²	37.9	13%	0.131	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-35.7	-178.3	-70.9	165.7	0	0	0	113.4	V569 R570 R571 M576 V577 L814 F836	V569-L573 HydrophobicContact CG1-CD1 3.86Å; V569-L573 VanDerWaalsContact O-CG 3.29Å; V569-L573 WeakPolarHBondContact O-CG 3.47Å; V569-L573 PolarHBondContact O-N 3.41Å; R570-L573 PolarHBondContact O-N 2.87Å; R571-L573 VanDerWaalsContact C-N 3.33Å; R571-L573 PolarHBondContact O-N 2.94Å; L573-M576 HydrophobicContact CD2-SD 4.15Å; L573-M576 WeakPolarHBondContact O-CB 3.25Å; L573-V577 WeakPolarHBondContact O-CG2 3.46Å; L573-V577 PolarHBondContact O-N 3.13Å; L573-L814 HydrophobicContact CD2-CD2 3.62Å; L573-F836 HydrophobicContact CD1-CE1 3.63Å; L573-F836 HydrophobicContact CD1-CZ 3.32Å
574	L	65.2	Low	66.9	Low	51 Å²	51	33.5 Å²	33.5	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-69	-46.7	175.3	-72.1	172.2	0	0	0	111.4	R570 R571 M576 V577 D578 Y841 V849	R570-L574 HydrophobicContact CG-CD1 3.99Å; R570-L574 HydrophobicContact CG-CG 4.4Å; R570-L574 WeakPolarHBondContact O-CB 3.34Å; R570-L574 WeakPolarHBondContact O-CG 3.3Å; R570-L574 PolarHBondContact O-N 3.06Å; R571-L574 PolarHBondContact O-N 3.26Å; L574-M576 PolarHBondContact O-N 3.12Å; L574-V577 PolarHBondContact O-N 2.85Å; L574-D578 PolarHBondContact O-N 3.36Å; L574-Y841 HydrophobicContact CD2-CD1 4Å; L574-Y841 HydrophobicContact CD2-CE1 3.72Å; L574-V849 HydrophobicContact CD2-CG1 4.46Å
575	A	63.9	Low	68.5	Low	11 Å²	11	27.1 Å²	27.1	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-39.3	175.9	0	0	0	0	0	111.8	D546 R571 D579	D546-A575 HydrophobicContact CB-CB 4.21Å; R571-A575 WeakPolarHBondContact O-CB 3.26Å; R571-A575 PolarHBondContact O-N 2.94Å; A575-D579 PolarHBondContact O-N 3.06Å
576	M	64.9	Low	70.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-52.4	-52.8	169.3	-95.7	-172.5	-170	0	0	111.6	M547 M572 L573 L574 D579 V583 L619 W810 L814	M547-M576 HydrophobicContact CG-CE 4.17Å; M547-M576 HydrophobicContact SD-CE 3.45Å; M547-M576 WeakPolarHBondContact SD-CE 3.45Å; M547-M576 HydrophobicContact SD-CG 3.92Å; M572-M576 HydrophobicContact CE-CE 4.22Å; M572-M576 HydrophobicContact CE-SD 4.31Å; M572-M576 HydrophobicContact CG-CE 3.77Å; M572-M576 HydrophobicContact CG-SD 4.27Å; M572-M576 WeakPolarHBondContact O-CB 3.27Å; M572-M576 WeakPolarHBondContact O-CG 3.44Å; M572-M576 PolarHBondContact O-N 3.31Å; M572-M576 HydrophobicContact SD-CE 3.9Å; L573-M576 HydrophobicContact CD2-SD 4.15Å; L573-M576 WeakPolarHBondContact O-CB 3.25Å; L574-M576 PolarHBondContact O-N 3.12Å; M576-D579 CarbonylContact O-C 3.53Å; M576-V583 HydrophobicContact CB-CG2 4.32Å; M576-V583 HydrophobicContact CE-CG2 4.48Å; M576-V583 HydrophobicContact CG-CG2 3.55Å; M576-V583 HydrophobicContact SD-CG2 4.49Å; M576-L619 HydrophobicContact CE-CD2 3.74Å; M576-W810 HydrophobicContact CB-CH2 3.32Å; M576-W810 HydrophobicContact CB-CZ2 4.49Å; M576-W810 HydrophobicContact CB-CZ3 3.75Å; M576-W810 HydrophobicContact CG-CH2 3.89Å; M576-W810 WeakPolarHBondContact O-CH2 3.5Å; M576-W810 WeakPolarHBondContact O-CZ3 3.39Å; M576-L814 HydrophobicContact CB-CD1 4.4Å; M576-L814 HydrophobicContact SD-CD1 4.05Å; M576-L814 HydrophobicContact SD-CD2 4.1Å
577	V	61.8	Low	72	Confident	9 Å²	9	25.5 Å²	25.5	6%	0.055	12%	0.123	C	C	.	.	H	α-helix	trans	-69.8	-35.8	-174.3	168	0	0	0	0	112.7	L573 L574 D579 R807 W810 L811 F843 V849	L573-V577 WeakPolarHBondContact O-CG2 3.46Å; L573-V577 PolarHBondContact O-N 3.13Å; L574-V577 PolarHBondContact O-N 2.85Å; V577-D579 VanDerWaalsContact C-N 3.35Å; V577-R807 WeakPolarHBondContact O-CD 3.47Å; V577-W810 HydrophobicContact CB-CE3 4.47Å; V577-W810 HydrophobicContact CB-CZ3 4.11Å; V577-W810 HydrophobicContact CG2-CE3 4Å; V577-W810 HydrophobicContact CG2-CZ3 3.66Å; V577-L811 HydrophobicContact CB-CD1 4.12Å; V577-L811 HydrophobicContact CG1-CD1 3.53Å; V577-L811 HydrophobicContact CG1-CG 4.42Å; V577-L811 HydrophobicContact CG2-CB 4.14Å; V577-L811 HydrophobicContact CG2-CD1 3.38Å; V577-L811 HydrophobicContact CG2-CG 3.49Å; V577-L811 VanDerWaalsContact CG2-CG 3.49Å; V577-F843 HydrophobicContact CG1-CZ 4.34Å; V577-V849 HydrophobicContact CG1-CG2 3.67Å
578	D	65.6	Low	73.5	Confident	92 Å²	92	22.3 Å²	22.3	49%	0.492	11%	0.106	S	C	.	.	H	α-helix	trans	-64.2	-42.7	-179.4	-72.8	-26.5	0	0	0	111.3	L574	L574-D578 PolarHBondContact O-N 3.36Å
579	D	72.8	Confident	75.2	Confident	30 Å²	30	21.6 Å²	21.6	16%	0.16	10%	0.102	C	C	.	.			trans	-151.2	109.6	178.8	-158.8	-33.3	0	0	0	113	L540 A575 M576 V577 R581 C582	L540-D579 HydrophobicContact CD2-CB 4.17Å; L540-D579 WeakPolarHBondContact CD2-OD2 3.37Å; A575-D579 PolarHBondContact O-N 3.06Å; M576-D579 CarbonylContact O-C 3.53Å; V577-D579 VanDerWaalsContact C-N 3.35Å; D579-R581 PolarHBondContact O-N 3.13Å; D579-R581 VanDerWaalsContact O-N 3.11Å; D579-R581 WeakPolarHBondContact OD1-CB 3.08Å; D579-R581 WeakPolarHBondContact OD1-CG 3.12Å; D579-R581 IonicContact OD1-CZ 3.46Å; D579-R581 PolarHBondContact OD1-N 3.04Å; D579-R581 IonicContact OD1-NE 3.33Å; D579-R581 PolarHBondContact OD1-NE 3.04Å; D579-R581 IonicContact OD2-CZ 3.96Å; D579-R581 VanDerWaalsContact OD2-CZ 3.23Å; D579-R581 IonicContact OD2-NE 3.87Å; D579-R581 PolarHBondContact OD2-NE 3.28Å; D579-R581 IonicContact OD2-NH2 3.02Å; D579-R581 PolarHBondContact OD2-NH2 3.06Å; D579-C582 VanDerWaalsContact O-CB 3.29Å; D579-C582 WeakPolarHBondContact O-CB 3.35Å; D579-C582 PolarHBondContact O-N 3.27Å; D579-C582 VanDerWaalsContact O-N 3.13Å; D579-C582 PolarHBondContact O-SG 3.26Å
580	F	75.8	Confident	76.8	Confident	13 Å²	13	21.6 Å²	21.6	6%	0.057	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-24.5	178.5	85.6	-71.4	0	0	0	113	M505 C582 V583 V584 V785 W789 W810	M505-F580 HydrophobicContact CE-CE2 4.14Å; M505-F580 HydrophobicContact CE-CZ 4.08Å; F580-C582 PolarHBondContact O-N 3.22Å; F580-V583 WeakPolarHBondContact O-CA 3.43Å; F580-V583 WeakPolarHBondContact O-CB 3.32Å; F580-V583 PolarHBondContact O-N 2.87Å; F580-V584 HydrophobicContact CD2-CG2 3.87Å; F580-V584 HydrophobicContact CE2-CG2 3.94Å; F580-V584 PolarHBondContact O-N 3.09Å; F580-V785 HydrophobicContact CD2-CG1 3.91Å; F580-V785 HydrophobicContact CE2-CG1 4.29Å; F580-V785 HydrophobicContact CG-CG1 4.27Å; F580-W789 AromaticContact CD1-CD1 3.81Å; F580-W789 AromaticContact CD1-CD2 3.99Å; F580-W789 HydrophobicContact CD1-CD2 3.99Å; F580-W789 AromaticContact CD1-CE2 3.36Å; F580-W789 HydrophobicContact CD1-CG 4.23Å; F580-W789 HydrophobicContact CD1-CH2 4.47Å; F580-W789 AromaticContact CD1-CZ2 3.66Å; F580-W789 HydrophobicContact CD1-CZ2 3.66Å; F580-W789 AromaticContact CD1-NE1 3.26Å; F580-W789 VanDerWaalsContact CD1-NE1 3.26Å; F580-W789 HydrophobicContact CE1-CB 4.2Å; F580-W789 AromaticContact CE1-CD1 3.28Å; F580-W789 AromaticContact CE1-CD2 3.18Å; F580-W789 HydrophobicContact CE1-CD2 3.18Å; F580-W789 AromaticContact CE1-CE2 3.09Å; F580-W789 AromaticContact CE1-CE3 3.88Å; F580-W789 HydrophobicContact CE1-CE3 3.88Å; F580-W789 AromaticContact CE1-CG 3.3Å; F580-W789 HydrophobicContact CE1-CG 3.3Å; F580-W789 HydrophobicContact CE1-CH2 4.28Å; F580-W789 AromaticContact CE1-CZ2 3.69Å; F580-W789 HydrophobicContact CE1-CZ2 3.69Å; F580-W789 HydrophobicContact CE1-CZ3 4.37Å; F580-W789 AromaticContact CE1-NE1 3.14Å; F580-W789 AromaticContact CE2-CD1 3.89Å; F580-W789 HydrophobicContact CE2-CG 4.29Å; F580-W789 AromaticContact CG-NE1 3.94Å; F580-W789 HydrophobicContact CZ-CB 3.8Å; F580-W789 AromaticContact CZ-CD1 3.3Å; F580-W789 AromaticContact CZ-CD2 3.76Å; F580-W789 HydrophobicContact CZ-CD2 3.76Å; F580-W789 AromaticContact CZ-CE2 3.97Å; F580-W789 AromaticContact CZ-CG 3.32Å; F580-W789 HydrophobicContact CZ-CG 3.32Å; F580-W789 AromaticContact CZ-NE1 3.7Å; F580-W810 HydrophobicContact CB-CZ2 4.26Å
581	R	83.8	Confident	78.2	Confident	32 Å²	32	20.3 Å²	20.3	12%	0.121	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-33	179.5	-63.3	177.1	-70.6	170.9	1.9	110.8	M505 D506 T509 L540 D579 V583 V584 I585	M505-R581 HydrophobicContact CE-CB 4.43Å; M505-R581 HydrophobicContact CE-CG 3.93Å; D506-R581 WeakPolarHBondContact OD1-CD 3.24Å; D506-R581 IonicContact OD1-NH1 3.61Å; D506-R581 IonicContact OD2-NH1 3.51Å; D506-R581 PolarHBondContact OD2-NH1 3.36Å; T509-R581 VanDerWaalsContact OG1-CD 3.26Å; T509-R581 WeakPolarHBondContact OG1-CD 3.35Å; L540-R581 HydrophobicContact CD2-CB 3.65Å; D579-R581 PolarHBondContact O-N 3.13Å; D579-R581 VanDerWaalsContact O-N 3.11Å; D579-R581 WeakPolarHBondContact OD1-CB 3.08Å; D579-R581 WeakPolarHBondContact OD1-CG 3.12Å; D579-R581 IonicContact OD1-CZ 3.46Å; D579-R581 PolarHBondContact OD1-N 3.04Å; D579-R581 IonicContact OD1-NE 3.33Å; D579-R581 PolarHBondContact OD1-NE 3.04Å; D579-R581 IonicContact OD2-CZ 3.96Å; D579-R581 VanDerWaalsContact OD2-CZ 3.23Å; D579-R581 IonicContact OD2-NE 3.87Å; D579-R581 PolarHBondContact OD2-NE 3.28Å; D579-R581 IonicContact OD2-NH2 3.02Å; D579-R581 PolarHBondContact OD2-NH2 3.06Å; R581-V583 VanDerWaalsContact C-N 3.26Å; R581-V583 PolarHBondContact O-N 3.32Å; R581-V584 PolarHBondContact O-N 3.43Å; R581-I585 WeakPolarHBondContact O-CD1 3.48Å; R581-I585 VanDerWaalsContact O-CG1 3.25Å; R581-I585 WeakPolarHBondContact O-CG1 3.39Å; R581-I585 PolarHBondContact O-N 3.35Å
582	C	86.1	Confident	79.5	Confident	2 Å²	2	14 Å²	14	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-52.5	-48.2	171.6	-61.2	0	0	0	0	110.3	V544 M547 D579 F580 V584 I585 K586	V544-C582 HydrophobicContact CG2-CB 4.21Å; V544-C582 WeakPolarHBondContact CG2-O 3.29Å; M547-C582 HydrophobicContact CE-CB 3.79Å; M547-C582 WeakPolarHBondContact CE-O 3.49Å; D579-C582 VanDerWaalsContact O-CB 3.29Å; D579-C582 WeakPolarHBondContact O-CB 3.35Å; D579-C582 PolarHBondContact O-N 3.27Å; D579-C582 VanDerWaalsContact O-N 3.13Å; D579-C582 PolarHBondContact O-SG 3.26Å; F580-C582 PolarHBondContact O-N 3.22Å; C582-V584 PolarHBondContact O-N 3.09Å; C582-I585 PolarHBondContact O-N 2.65Å; C582-K586 WeakPolarHBondContact O-CB 3.27Å; C582-K586 PolarHBondContact O-N 3.47Å
583	V	83.2	Confident	80.7	Confident	1 Å²	1	15 Å²	15	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-42.7	-178.6	-168.8	0	0	0	0	112.1	M547 M576 F580 R581 K586 L587 L619 L623 W810	M547-V583 HydrophobicContact CE-CG2 4.43Å; M547-V583 HydrophobicContact SD-CG2 4.07Å; M576-V583 HydrophobicContact CB-CG2 4.32Å; M576-V583 HydrophobicContact CE-CG2 4.48Å; M576-V583 HydrophobicContact CG-CG2 3.55Å; M576-V583 HydrophobicContact SD-CG2 4.49Å; F580-V583 WeakPolarHBondContact O-CA 3.43Å; F580-V583 WeakPolarHBondContact O-CB 3.32Å; F580-V583 PolarHBondContact O-N 2.87Å; R581-V583 VanDerWaalsContact C-N 3.26Å; R581-V583 PolarHBondContact O-N 3.32Å; V583-K586 PolarHBondContact O-N 3.02Å; V583-L587 HydrophobicContact CG1-CD1 4.38Å; V583-L587 HydrophobicContact CG1-CG 4.46Å; V583-L587 VanDerWaalsContact O-CG 3.31Å; V583-L587 WeakPolarHBondContact O-CG 3.13Å; V583-L587 PolarHBondContact O-N 3.28Å; V583-L619 HydrophobicContact CG1-CD2 3.57Å; V583-L619 HydrophobicContact CG1-CG 4.01Å; V583-L623 HydrophobicContact CB-CD1 4.35Å; V583-L623 HydrophobicContact CG1-CD1 3.61Å; V583-W810 HydrophobicContact CG2-CH2 4.02Å; V583-W810 HydrophobicContact CG2-CZ2 3.83Å
584	V	87.1	Confident	82	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.1	-43	178.5	-167.2	0	0	0	0	110.5	L500 L503 M505 F580 R581 C582 K586 L587 A588 I625 L628	L500-V584 HydrophobicContact CD2-CB 4.26Å; L500-V584 HydrophobicContact CD2-CG1 3.49Å; L500-V584 VanDerWaalsContact CD2-CG1 3.49Å; L503-V584 HydrophobicContact CD1-CG1 3.66Å; M505-V584 HydrophobicContact CE-CB 4.36Å; M505-V584 HydrophobicContact CE-CG1 4.44Å; M505-V584 HydrophobicContact CE-CG2 4.35Å; M505-V584 HydrophobicContact SD-CG1 4.26Å; F580-V584 HydrophobicContact CD2-CG2 3.87Å; F580-V584 HydrophobicContact CE2-CG2 3.94Å; F580-V584 PolarHBondContact O-N 3.09Å; R581-V584 PolarHBondContact O-N 3.43Å; C582-V584 PolarHBondContact O-N 3.09Å; V584-K586 VanDerWaalsContact C-N 3.32Å; V584-K586 PolarHBondContact O-N 3.41Å; V584-L587 PolarHBondContact O-N 3.16Å; V584-A588 PolarHBondContact O-N 3.23Å; V584-I625 HydrophobicContact CG2-CD1 4.13Å; V584-L628 HydrophobicContact CG1-CD1 4.49Å
585	I	91	Very high	83.1	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.5	-63.8	161.6	0	0	0	110.5	M496 L500 T509 A512 L540 V544 R581 C582 A588 E589	M496-I585 HydrophobicContact CE-CG2 3.75Å; L500-I585 HydrophobicContact CD1-CG1 4.11Å; T509-I585 HydrophobicContact CG2-CD1 4.09Å; T509-I585 HydrophobicContact CG2-CG1 3.74Å; A512-I585 HydrophobicContact CB-CD1 3.75Å; L540-I585 HydrophobicContact CB-CD1 4.18Å; L540-I585 HydrophobicContact CD1-CD1 4.34Å; V544-I585 HydrophobicContact CG1-CG2 4.16Å; V544-I585 HydrophobicContact CG2-CB 3.74Å; V544-I585 HydrophobicContact CG2-CD1 4.21Å; V544-I585 HydrophobicContact CG2-CG2 3.66Å; R581-I585 WeakPolarHBondContact O-CD1 3.48Å; R581-I585 VanDerWaalsContact O-CG1 3.25Å; R581-I585 WeakPolarHBondContact O-CG1 3.39Å; R581-I585 PolarHBondContact O-N 3.35Å; C582-I585 PolarHBondContact O-N 2.65Å; I585-A588 PolarHBondContact O-N 3.11Å; I585-E589 WeakPolarHBondContact O-CB 3.48Å; I585-E589 PolarHBondContact O-N 2.68Å
586	K	90.6	Very high	84.2	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-65.9	-38.4	178.8	-170.3	65.6	179.9	167	0	112.8	V544 M547 C582 V583 V584 E589 R590 Y616	V544-K586 HydrophobicContact CG1-CB 4.22Å; V544-K586 HydrophobicContact CG1-CD 3.82Å; M547-K586 HydrophobicContact CB-CD 4.28Å; M547-K586 HydrophobicContact CB-CG 4.16Å; M547-K586 HydrophobicContact CE-CB 3.39Å; M547-K586 HydrophobicContact CE-CG 3.92Å; M547-K586 HydrophobicContact SD-CB 4.14Å; M547-K586 HydrophobicContact SD-CG 4.22Å; C582-K586 WeakPolarHBondContact O-CB 3.27Å; C582-K586 PolarHBondContact O-N 3.47Å; V583-K586 PolarHBondContact O-N 3.02Å; V584-K586 VanDerWaalsContact C-N 3.32Å; V584-K586 PolarHBondContact O-N 3.41Å; K586-E589 WeakPolarHBondContact CD-OE2 3.24Å; K586-E589 WeakPolarHBondContact CE-OE2 3.4Å; K586-E589 IonicContact NZ-OE2 3.32Å; K586-E589 PolarHBondContact NZ-OE2 3.46Å; K586-E589 PolarHBondContact O-N 3.45Å; K586-R590 VanDerWaalsContact NZ-NH2 3.19Å; K586-R590 WeakPolarHBondContact O-CG 3Å; K586-R590 PolarHBondContact O-N 3.36Å; K586-Y616 VanDerWaalsContact CE-OH 3.23Å; K586-Y616 WeakPolarHBondContact CE-OH 3.35Å; K586-Y616 HydrophobicContact CG-CD1 4.48Å; K586-Y616 HydrophobicContact CG-CE1 3.64Å
587	L	90.7	Very high	85.2	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-42.1	173.8	-68.9	172.9	0	0	0	111.4	V583 V584 R590 I591 Y616 A620 L623 I625 L628 L632	V583-L587 HydrophobicContact CG1-CD1 4.38Å; V583-L587 HydrophobicContact CG1-CG 4.46Å; V583-L587 VanDerWaalsContact O-CG 3.31Å; V583-L587 WeakPolarHBondContact O-CG 3.13Å; V583-L587 PolarHBondContact O-N 3.28Å; V584-L587 PolarHBondContact O-N 3.16Å; L587-R590 PolarHBondContact O-N 2.91Å; L587-I591 WeakPolarHBondContact O-CG1 3.3Å; L587-I591 PolarHBondContact O-N 2.91Å; L587-Y616 HydrophobicContact CD2-CD1 4.03Å; L587-Y616 HydrophobicContact CD2-CG 4.41Å; L587-Y616 VanDerWaalsContact CD2-O 3.31Å; L587-Y616 WeakPolarHBondContact CD2-O 3.28Å; L587-A620 HydrophobicContact CD1-CB 3.87Å; L587-A620 HydrophobicContact CD2-CB 4.14Å; L587-L623 HydrophobicContact CD1-CD1 4.04Å; L587-I625 HydrophobicContact CD1-CD1 4.19Å; L587-L628 HydrophobicContact CB-CD1 3.71Å; L587-L628 HydrophobicContact CD1-CD1 4.17Å; L587-L632 HydrophobicContact CD2-CD1 3.9Å
588	A	92.2	Very high	86.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.4	0	0	0	0	0	111.8	I499 L500 V584 I585 R590 I591 A592	I499-A588 HydrophobicContact CB-CB 4Å; I499-A588 HydrophobicContact CD1-CB 4.21Å; I499-A588 WeakPolarHBondContact CD1-O 3.5Å; I499-A588 HydrophobicContact CG2-CB 3.68Å; L500-A588 HydrophobicContact CD1-CB 4.17Å; L500-A588 HydrophobicContact CD2-CB 3.94Å; L500-A588 HydrophobicContact CG-CB 3.82Å; V584-A588 PolarHBondContact O-N 3.23Å; I585-A588 PolarHBondContact O-N 3.11Å; A588-R590 PolarHBondContact O-N 3.48Å; A588-I591 PolarHBondContact O-N 2.62Å; A588-A592 PolarHBondContact O-N 3.42Å
589	E	93.2	Very high	87.2	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-42.8	174.5	-177.5	-93.8	151	0	0	112.4	M496 F516 I585 K586 I591 A592 H593	M496-E589 HydrophobicContact CE-CB 3.77Å; M496-E589 HydrophobicContact CE-CG 4.38Å; M496-E589 HydrophobicContact SD-CB 3.89Å; M496-E589 HydrophobicContact SD-CG 4.12Å; F516-E589 HydrophobicContact CD1-CG 4.07Å; F516-E589 HydrophobicContact CE1-CB 4.47Å; F516-E589 HydrophobicContact CE1-CG 3.58Å; F516-E589 HydrophobicContact CZ-CG 4.43Å; I585-E589 WeakPolarHBondContact O-CB 3.48Å; I585-E589 PolarHBondContact O-N 2.68Å; K586-E589 WeakPolarHBondContact CD-OE2 3.24Å; K586-E589 WeakPolarHBondContact CE-OE2 3.4Å; K586-E589 IonicContact NZ-OE2 3.32Å; K586-E589 PolarHBondContact NZ-OE2 3.46Å; K586-E589 PolarHBondContact O-N 3.45Å; E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.42Å; E589-A592 PolarHBondContact O-N 3.37Å; E589-H593 WeakPolarHBondContact O-CB 3.24Å; E589-H593 PolarHBondContact O-N 2.71Å
590	R	91.9	Very high	87.8	Confident	11 Å²	11	20.3 Å²	20.3	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-36.6	177	-73	-64.6	116.9	165.1	-5.1	112.6	K586 L587 A588 H593 L594 E611 Y616 L632	K586-R590 VanDerWaalsContact NZ-NH2 3.19Å; K586-R590 WeakPolarHBondContact O-CG 3Å; K586-R590 PolarHBondContact O-N 3.36Å; L587-R590 PolarHBondContact O-N 2.91Å; A588-R590 PolarHBondContact O-N 3.48Å; R590-H593 PolarHBondContact O-N 3.47Å; R590-L594 WeakPolarHBondContact O-CB 3.22Å; R590-L594 WeakPolarHBondContact O-CG 3.49Å; R590-L594 PolarHBondContact O-N 2.59Å; R590-E611 IonicContact NH1-OE1 3.97Å; R590-E611 IonicContact NH1-OE2 2.74Å; R590-E611 PolarHBondContact NH1-OE2 2.95Å; R590-Y616 HydrophobicContact CB-CG 4.45Å; R590-Y616 VanDerWaalsContact CD-CE2 3.49Å; R590-Y616 HydrophobicContact CG-CD1 3.89Å; R590-Y616 HydrophobicContact CG-CD2 3.7Å; R590-Y616 HydrophobicContact CG-CE1 3.86Å; R590-Y616 HydrophobicContact CG-CE2 3.67Å; R590-Y616 HydrophobicContact CG-CG 3.79Å; R590-L632 HydrophobicContact CB-CD2 4.2Å
591	I	92	Very high	88.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-47.1	173.4	-69.6	167	0	0	0	110.3	I499 L587 A588 E589 H593 L594 R595 L628 E631 L632 Y635	I499-I591 HydrophobicContact CD1-CB 3.96Å; I499-I591 HydrophobicContact CD1-CG2 3.76Å; L587-I591 WeakPolarHBondContact O-CG1 3.3Å; L587-I591 PolarHBondContact O-N 2.91Å; A588-I591 PolarHBondContact O-N 2.62Å; E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.42Å; I591-H593 VanDerWaalsContact C-N 3.33Å; I591-H593 PolarHBondContact O-N 3.15Å; I591-L594 PolarHBondContact O-N 2.95Å; I591-R595 WeakPolarHBondContact O-CG 3.4Å; I591-R595 PolarHBondContact O-N 3.27Å; I591-L628 HydrophobicContact CD1-CB 3.99Å; I591-L628 HydrophobicContact CD1-CD2 3.64Å; I591-L628 HydrophobicContact CD1-CG 4.25Å; I591-E631 HydrophobicContact CD1-CB 4.38Å; I591-E631 HydrophobicContact CD1-CG 4.27Å; I591-E631 HydrophobicContact CG1-CG 4.48Å; I591-E631 HydrophobicContact CG2-CG 4.04Å; I591-E631 WeakPolarHBondContact CG2-OE1 3.37Å; I591-L632 HydrophobicContact CD1-CD2 4.45Å; I591-L632 HydrophobicContact CD1-CG 4.16Å; I591-L632 HydrophobicContact CG1-CD2 3.48Å; I591-L632 VanDerWaalsContact CG1-CD2 3.48Å; I591-L632 HydrophobicContact CG1-CG 3.67Å; I591-Y635 HydrophobicContact CG2-CD2 4.47Å; I591-Y635 HydrophobicContact CG2-CE2 4.07Å
592	A	90.8	Very high	88.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-46.2	176.7	0	0	0	0	0	111	R492 E495 M496 A588 E589 L594 R595 E596	R492-A592 HydrophobicContact CG-CB 4.18Å; E495-A592 HydrophobicContact CG-CB 4.32Å; E495-A592 WeakPolarHBondContact OE2-CA 3.31Å; E495-A592 VanDerWaalsContact OE2-CB 3.28Å; E495-A592 WeakPolarHBondContact OE2-CB 3.36Å; M496-A592 HydrophobicContact CG-CB 4.1Å; A588-A592 PolarHBondContact O-N 3.42Å; E589-A592 PolarHBondContact O-N 3.37Å; A592-L594 PolarHBondContact O-N 2.64Å; A592-R595 WeakPolarHBondContact O-CA 3.33Å; A592-R595 WeakPolarHBondContact O-CB 3.4Å; A592-R595 PolarHBondContact O-N 3.15Å; A592-E596 WeakPolarHBondContact O-CG 3.48Å; A592-E596 PolarHBondContact O-N 3.05Å
593	H	89.9	Confident	88.4	Confident	31 Å²	31	33.3 Å²	33.3	14%	0.144	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-42.6	176.6	-174.5	52.2	0	0	0	113.4	E589 R590 I591 R595 E596 V597	E589-H593 WeakPolarHBondContact O-CB 3.24Å; E589-H593 PolarHBondContact O-N 2.71Å; R590-H593 PolarHBondContact O-N 3.47Å; I591-H593 VanDerWaalsContact C-N 3.33Å; I591-H593 PolarHBondContact O-N 3.15Å; H593-R595 PolarHBondContact O-N 2.54Å; H593-E596 IonicContact ND1-OE2 3.3Å; H593-E596 PolarHBondContact O-N 2.86Å; H593-V597 WeakPolarHBondContact O-CB 3.45Å; H593-V597 PolarHBondContact O-N 3.25Å
594	L	90.4	Very high	88.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-24.8	175.5	-76.2	175.2	0	0	0	112.9	R590 I591 A592 A608 C612 L632 Y635 Y639	R590-L594 WeakPolarHBondContact O-CB 3.22Å; R590-L594 WeakPolarHBondContact O-CG 3.49Å; R590-L594 PolarHBondContact O-N 2.59Å; I591-L594 PolarHBondContact O-N 2.95Å; A592-L594 PolarHBondContact O-N 2.64Å; L594-A608 HydrophobicContact CD2-CB 4.24Å; L594-C612 HydrophobicContact CD1-CB 3.89Å; L594-C612 HydrophobicContact CD2-CB 4.46Å; L594-L632 HydrophobicContact CD1-CD2 3.74Å; L594-Y635 HydrophobicContact CB-CG 4.45Å; L594-Y639 HydrophobicContact CD2-CD2 4.36Å; L594-Y639 HydrophobicContact CD2-CE2 4.3Å; L594-Y639 VanDerWaalsContact O-CE2 3.29Å; L594-Y639 WeakPolarHBondContact O-CE2 3.41Å; L594-Y639 PolarHBondContact O-OH 2.97Å
595	R	87.6	Confident	88.6	Confident	19 Å²	19	41.7 Å²	41.7	7%	0.072	21%	0.208	C	C	.	.	H	α-helix	trans	-81.1	-39.9	175.3	-67.3	172	171.6	-165.2	-12.6	111.7	R439 H442 W491 E495 I591 A592 H593 K598 E631 Y635	R439-R595 VanDerWaalsContact NH1-CZ 3.27Å; R439-R595 VanDerWaalsContact NH1-NH1 3.16Å; H442-R595 PolarHBondContact CE1-NH1 2.97Å; H442-R595 VanDerWaalsContact NE2-CZ 3.35Å; H442-R595 PolarHBondContact NE2-NH1 2.88Å; W491-R595 HydrophobicContact CH2-CB 4.41Å; E495-R595 WeakPolarHBondContact OE1-CD 3.5Å; E495-R595 IonicContact OE1-CZ 3.14Å; E495-R595 IonicContact OE1-NE 3.12Å; E495-R595 IonicContact OE1-NH1 3.32Å; E495-R595 PolarHBondContact OE1-NH1 2.94Å; I591-R595 WeakPolarHBondContact O-CG 3.4Å; I591-R595 PolarHBondContact O-N 3.27Å; A592-R595 WeakPolarHBondContact O-CA 3.33Å; A592-R595 WeakPolarHBondContact O-CB 3.4Å; A592-R595 PolarHBondContact O-N 3.15Å; H593-R595 PolarHBondContact O-N 2.54Å; R595-K598 WeakPolarHBondContact O-CB 3.43Å; R595-K598 WeakPolarHBondContact O-CG 3.16Å; R595-E631 IonicContact CZ-OE1 2.74Å; R595-E631 VanDerWaalsContact CZ-OE1 3.3Å; R595-E631 IonicContact NE-OE1 3.97Å; R595-E631 IonicContact NH2-OE1 3.82Å; R595-E631 PolarHBondContact NH2-OE1 3.36Å; R595-Y635 HydrophobicContact CG-CE1 4.2Å; R595-Y635 HydrophobicContact CG-CE2 3.94Å; R595-Y635 PolarHBondContact NE-OH 3.32Å; R595-Y635 PolarHBondContact NH2-OH 3.35Å; R595-Y635 VanDerWaalsContact NH2-OH 3.12Å
596	E	86.8	Confident	88.5	Confident	32 Å²	32	43.5 Å²	43.5	15%	0.15	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-42.9	177	-66.7	168.2	177.5	0	0	112.5	L488 W491 R492 A592 H593 K598	L488-E596 HydrophobicContact CD1-CG 4.07Å; W491-E596 HydrophobicContact CE3-CG 4.17Å; W491-E596 HydrophobicContact CH2-CG 4.24Å; W491-E596 HydrophobicContact CZ3-CG 3.41Å; W491-E596 VanDerWaalsContact CZ3-CG 3.41Å; R492-E596 VanDerWaalsContact CB-OE1 3.28Å; R492-E596 WeakPolarHBondContact CB-OE1 3.33Å; R492-E596 VanDerWaalsContact CG-OE1 3.28Å; R492-E596 WeakPolarHBondContact CG-OE1 3.31Å; R492-E596 IonicContact CZ-OE1 2.66Å; R492-E596 IonicContact CZ-OE2 3.45Å; R492-E596 VanDerWaalsContact NE-CD 3.3Å; R492-E596 IonicContact NE-OE1 3.23Å; R492-E596 PolarHBondContact NE-OE1 2.73Å; R492-E596 IonicContact NE-OE2 2.65Å; R492-E596 PolarHBondContact NE-OE2 3.24Å; R492-E596 IonicContact NH2-OE1 2.99Å; R492-E596 IonicContact NH2-OE2 3.4Å; R492-E596 PolarHBondContact NH2-OE2 3.05Å; A592-E596 WeakPolarHBondContact O-CG 3.48Å; A592-E596 PolarHBondContact O-N 3.05Å; H593-E596 IonicContact ND1-OE2 3.3Å; H593-E596 PolarHBondContact O-N 2.86Å; E596-K598 PolarHBondContact O-N 2.84Å
597	V	87	Confident	88.2	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.1	-2.8	-175.5	78.4	0	0	0	0	112.8	H593 D599 A600 E604 R605 Y639	H593-V597 WeakPolarHBondContact O-CB 3.45Å; H593-V597 PolarHBondContact O-N 3.25Å; V597-D599 PolarHBondContact O-N 2.9Å; V597-D599 VanDerWaalsContact O-N 3.08Å; V597-A600 HydrophobicContact CB-CB 4.43Å; V597-A600 HydrophobicContact CG2-CB 3.56Å; V597-A600 WeakPolarHBondContact O-CB 3.35Å; V597-A600 PolarHBondContact O-N 3.35Å; V597-E604 HydrophobicContact CG2-CB 4.39Å; V597-R605 HydrophobicContact CB-CG 4.44Å; V597-R605 HydrophobicContact CG1-CG 4.17Å; V597-R605 HydrophobicContact CG2-CG 3.85Å; V597-R605 WeakPolarHBondContact O-CD 3.47Å; V597-R605 WeakPolarHBondContact O-CG 3.49Å; V597-Y639 HydrophobicContact CG1-CE2 3.99Å
598	K	86.1	Confident	88	Confident	110 Å²	110	48.7 Å²	48.7	48%	0.478	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.8	-36.5	-178.5	74.9	-177.7	-172.3	-174.3	0	113.3	R595 E596 R605 Y639	R595-K598 WeakPolarHBondContact O-CB 3.43Å; R595-K598 WeakPolarHBondContact O-CG 3.16Å; E596-K598 PolarHBondContact O-N 2.84Å; K598-R605 WeakPolarHBondContact O-CD 3.06Å; K598-R605 PolarHBondContact O-NH1 3.48Å; K598-Y639 VanDerWaalsContact CA-OH 3.3Å; K598-Y639 WeakPolarHBondContact CA-OH 2.98Å; K598-Y639 WeakPolarHBondContact CB-OH 3.43Å
599	D	83.1	Confident	87.9	Confident	137 Å²	137	48.7 Å²	48.7	73%	0.733	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-98.5	-0.9	-176.1	-60.6	-38	0	0	0	112.8	V597	V597-D599 PolarHBondContact O-N 2.9Å; V597-D599 VanDerWaalsContact O-N 3.08Å
600	A	84.6	Confident	87.5	Confident	24 Å²	24	53.8 Å²	53.8	20%	0.198	27%	0.268	C	S	.	.	S	Bend	trans	-77.6	165.5	177.5	0	0	0	0	0	112.1	V597 E604 R605	V597-A600 HydrophobicContact CB-CB 4.43Å; V597-A600 HydrophobicContact CG2-CB 3.56Å; V597-A600 WeakPolarHBondContact O-CB 3.35Å; V597-A600 PolarHBondContact O-N 3.35Å; A600-E604 HydrophobicContact CB-CB 4.36Å; A600-R605 HydrophobicContact CB-CG 4.45Å; A600-R605 PolarHBondContact O-NE 3.02Å
601	P	87.1	Confident	87	Confident	71 Å²	71	53.6 Å²	53.6	46%	0.461	27%	0.268	S	S	.	.			trans	-49.8	151.1	171.2	-30.2	39.4	0	0	0	113.7	D603 E604 R605	P601-D603 VanDerWaalsContact C-N 3.33Å; P601-D603 WeakPolarHBondContact CB-OD1 3.11Å; P601-D603 PolarHBondContact O-N 3.39Å; P601-E604 PolarHBondContact O-N 2.94Å; P601-R605 WeakPolarHBondContact O-CG 3.41Å; P601-R605 PolarHBondContact O-N 3.35Å; P601-R605 VanDerWaalsContact O-N 3.12Å
602	E	85.9	Confident	86.8	Confident	134 Å²	134	53.6 Å²	53.6	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-39	-175.4	-175.8	174	170.5	0	0	113.3	R605 V606	E602-R605 PolarHBondContact O-N 3.25Å; E602-V606 HydrophobicContact CG-CG2 4.25Å; E602-V606 WeakPolarHBondContact O-CB 3.46Å; E602-V606 VanDerWaalsContact O-CG2 3.24Å; E602-V606 WeakPolarHBondContact O-CG2 3.43Å; E602-V606 PolarHBondContact O-N 3.2Å
603	D	85.8	Confident	86.5	Confident	114 Å²	114	55 Å²	55	61%	0.61	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-44.5	176.1	57	-38.3	0	0	0	112.3	P601 V606 L607	P601-D603 VanDerWaalsContact C-N 3.33Å; P601-D603 WeakPolarHBondContact CB-OD1 3.11Å; P601-D603 PolarHBondContact O-N 3.39Å; D603-V606 PolarHBondContact O-N 2.75Å; D603-L607 VanDerWaalsContact O-CB 3.28Å; D603-L607 WeakPolarHBondContact O-CB 3.5Å; D603-L607 PolarHBondContact O-N 3.28Å
604	E	85.8	Confident	85.8	Confident	106 Å²	106	56.2 Å²	56.2	50%	0.495	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-43.4	175.7	-69	-172.3	-170.7	0	0	112.1	V597 A600 P601 V606 L607 A608	V597-E604 HydrophobicContact CG2-CB 4.39Å; A600-E604 HydrophobicContact CB-CB 4.36Å; P601-E604 PolarHBondContact O-N 2.94Å; E604-V606 PolarHBondContact O-N 3.38Å; E604-L607 PolarHBondContact O-N 2.94Å; E604-A608 WeakPolarHBondContact O-CB 3.35Å; E604-A608 PolarHBondContact O-N 2.97Å
605	R	89	Confident	85.1	Confident	71 Å²	71	56.8 Å²	56.8	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.2	-71	-175.1	-60.4	-172.2	2.9	111.9	V597 K598 A600 P601 E602 A609 Y639	V597-R605 HydrophobicContact CB-CG 4.44Å; V597-R605 HydrophobicContact CG1-CG 4.17Å; V597-R605 HydrophobicContact CG2-CG 3.85Å; V597-R605 WeakPolarHBondContact O-CD 3.47Å; V597-R605 WeakPolarHBondContact O-CG 3.49Å; K598-R605 WeakPolarHBondContact O-CD 3.06Å; K598-R605 PolarHBondContact O-NH1 3.48Å; A600-R605 HydrophobicContact CB-CG 4.45Å; A600-R605 PolarHBondContact O-NE 3.02Å; P601-R605 WeakPolarHBondContact O-CG 3.41Å; P601-R605 PolarHBondContact O-N 3.35Å; P601-R605 VanDerWaalsContact O-N 3.12Å; E602-R605 PolarHBondContact O-N 3.25Å; R605-A609 WeakPolarHBondContact O-CB 3.47Å; R605-A609 PolarHBondContact O-N 3Å; R605-Y639 HydrophobicContact CB-CD1 4.18Å; R605-Y639 HydrophobicContact CB-CG 4.21Å; R605-Y639 HydrophobicContact CG-CD1 4.42Å; R605-Y639 HydrophobicContact CG-CE1 4.44Å
606	V	88.3	Confident	85	Confident	38 Å²	38	55.9 Å²	55.9	23%	0.23	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-41.4	178.9	169.4	0	0	0	0	110.6	E602 D603 E604 A609 K610 L640	E602-V606 HydrophobicContact CG-CG2 4.25Å; E602-V606 WeakPolarHBondContact O-CB 3.46Å; E602-V606 VanDerWaalsContact O-CG2 3.24Å; E602-V606 WeakPolarHBondContact O-CG2 3.43Å; E602-V606 PolarHBondContact O-N 3.2Å; D603-V606 PolarHBondContact O-N 2.75Å; E604-V606 PolarHBondContact O-N 3.38Å; V606-A609 PolarHBondContact O-N 3.46Å; V606-K610 HydrophobicContact CG1-CD 4.2Å; V606-K610 HydrophobicContact CG1-CG 4.32Å; V606-K610 WeakPolarHBondContact O-CB 3.39Å; V606-K610 WeakPolarHBondContact O-CG 3.49Å; V606-K610 PolarHBondContact O-N 3.1Å; V606-L640 HydrophobicContact CG1-CD2 4.1Å
607	L	84.2	Confident	84.9	Confident	108 Å²	108	54.5 Å²	54.5	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-48.9	177.8	-176.3	64.8	0	0	0	111.5	D603 E604 A609 K610 E611	D603-L607 VanDerWaalsContact O-CB 3.28Å; D603-L607 WeakPolarHBondContact O-CB 3.5Å; D603-L607 PolarHBondContact O-N 3.28Å; E604-L607 PolarHBondContact O-N 2.94Å; L607-A609 PolarHBondContact O-N 3.27Å; L607-K610 PolarHBondContact O-N 2.85Å; L607-E611 WeakPolarHBondContact O-CB 3.1Å; L607-E611 PolarHBondContact O-N 2.97Å
608	A	86.2	Confident	84.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-42.2	176.9	0	0	0	0	0	111.9	L594 E604 E611 C612	L594-A608 HydrophobicContact CD2-CB 4.24Å; E604-A608 WeakPolarHBondContact O-CB 3.35Å; E604-A608 PolarHBondContact O-N 2.97Å; A608-E611 WeakPolarHBondContact O-CB 3.49Å; A608-E611 PolarHBondContact O-N 3.24Å; A608-C612 WeakPolarHBondContact O-CB 3.37Å; A608-C612 PolarHBondContact O-N 3.33Å; A608-C612 PolarHBondContact O-SG 3.45Å
609	A	89.7	Confident	84.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-41	177.3	0	0	0	0	0	112.8	R605 V606 L607 E611 C612 T613 C636 Y639 L640	R605-A609 WeakPolarHBondContact O-CB 3.47Å; R605-A609 PolarHBondContact O-N 3Å; V606-A609 PolarHBondContact O-N 3.46Å; L607-A609 PolarHBondContact O-N 3.27Å; A609-E611 VanDerWaalsContact C-N 3.35Å; A609-C612 PolarHBondContact O-N 2.89Å; A609-T613 WeakPolarHBondContact O-CB 3.41Å; A609-T613 PolarHBondContact O-N 2.88Å; A609-T613 PolarHBondContact O-OG1 3.33Å; A609-C636 HydrophobicContact CB-CB 4.19Å; A609-C636 PolarHBondContact O-SG 3.18Å; A609-C636 VanDerWaalsContact O-SG 3.37Å; A609-Y639 HydrophobicContact CB-CD2 4.23Å; A609-L640 HydrophobicContact CB-CD1 4.37Å; A609-L640 HydrophobicContact CB-CD2 3.84Å; A609-L640 HydrophobicContact CB-CG 3.79Å
610	K	84.7	Confident	84.3	Confident	110 Å²	110	44.1 Å²	44.1	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-64.7	-38.9	173.9	-76	-173.7	179.4	-176.1	0	111.5	K554 V606 L607 N614 L640	K554-K610 PolarHBondContact NZ-O 3.14Å; V606-K610 HydrophobicContact CG1-CD 4.2Å; V606-K610 HydrophobicContact CG1-CG 4.32Å; V606-K610 WeakPolarHBondContact O-CB 3.39Å; V606-K610 WeakPolarHBondContact O-CG 3.49Å; V606-K610 PolarHBondContact O-N 3.1Å; L607-K610 PolarHBondContact O-N 2.85Å; K610-N614 WeakPolarHBondContact O-CB 3.47Å; K610-N614 VanDerWaalsContact O-CG 3.28Å; K610-N614 PolarHBondContact O-N 2.94Å; K610-N614 VanDerWaalsContact O-N 3.15Å; K610-N614 PolarHBondContact O-OD1 3.08Å; K610-L640 HydrophobicContact CG-CD2 3.59Å
611	E	82.7	Confident	84.1	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-52.4	173.8	-167.8	-170.6	-175	0	0	110.9	R551 K554 R590 L607 A608 A609 T613 N614 I615 Y616	R551-E611 IonicContact NE-OE2 3.39Å; K554-E611 VanDerWaalsContact NZ-N 3.11Å; R590-E611 IonicContact NH1-OE1 3.97Å; R590-E611 IonicContact NH1-OE2 2.74Å; R590-E611 PolarHBondContact NH1-OE2 2.95Å; L607-E611 WeakPolarHBondContact O-CB 3.1Å; L607-E611 PolarHBondContact O-N 2.97Å; A608-E611 WeakPolarHBondContact O-CB 3.49Å; A608-E611 PolarHBondContact O-N 3.24Å; A609-E611 VanDerWaalsContact C-N 3.35Å; E611-T613 PolarHBondContact O-N 3.12Å; E611-N614 PolarHBondContact O-N 3Å; E611-I615 HydrophobicContact CG-CD1 4.42Å; E611-I615 WeakPolarHBondContact O-CB 3.26Å; E611-I615 PolarHBondContact O-N 2.86Å; E611-Y616 HydrophobicContact CG-CD2 4.33Å; E611-Y616 HydrophobicContact CG-CE2 3.89Å
612	C	88	Confident	83.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-66.2	-37.8	-178.5	-67.2	0	0	0	0	113.2	L594 A608 A609 Y616 A617 L632 C636	L594-C612 HydrophobicContact CD1-CB 3.89Å; L594-C612 HydrophobicContact CD2-CB 4.46Å; A608-C612 WeakPolarHBondContact O-CB 3.37Å; A608-C612 PolarHBondContact O-N 3.33Å; A608-C612 PolarHBondContact O-SG 3.45Å; A609-C612 PolarHBondContact O-N 2.89Å; C612-Y616 PolarHBondContact O-N 3.49Å; C612-A617 WeakPolarHBondContact O-CB 3.46Å; C612-A617 PolarHBondContact O-N 3.18Å; C612-L632 HydrophobicContact CB-CD2 4.35Å; C612-C636 WeakPolarHBondContact CB-SG 3.46Å
613	T	83.9	Confident	82.9	Confident	30 Å²	30	38 Å²	38	18%	0.184	19%	0.191	C	C	.	.	I	π-helix	trans	-67.1	-41.5	177.4	-53.8	0	0	0	0	112.3	A609 E611 P618 C636 L640	A609-T613 WeakPolarHBondContact O-CB 3.41Å; A609-T613 PolarHBondContact O-N 2.88Å; A609-T613 PolarHBondContact O-OG1 3.33Å; E611-T613 PolarHBondContact O-N 3.12Å; T613-P618 WeakPolarHBondContact O-CD 3.41Å; T613-P618 WeakPolarHBondContact O-CG 3.47Å; T613-C636 WeakPolarHBondContact OG1-CB 3.19Å; T613-L640 HydrophobicContact CG2-CD1 4.49Å; T613-L640 WeakPolarHBondContact OG1-CD1 3.31Å
614	N	75.2	Confident	82.4	Confident	55 Å²	55	32.9 Å²	32.9	29%	0.294	16%	0.164	S	C	.	.	I	π-helix	trans	-85	-27.4	-173	-65.2	11.4	0	0	0	112.1	K610 E611 M821	K610-N614 WeakPolarHBondContact O-CB 3.47Å; K610-N614 VanDerWaalsContact O-CG 3.28Å; K610-N614 PolarHBondContact O-N 2.94Å; K610-N614 VanDerWaalsContact O-N 3.15Å; K610-N614 PolarHBondContact O-OD1 3.08Å; E611-N614 PolarHBondContact O-N 3Å; N614-M821 WeakPolarHBondContact O-CE 3.26Å
615	I	75.9	Confident	82.2	Confident	13 Å²	13	27.9 Å²	27.9	7%	0.067	14%	0.141	C	C	.	.	I	π-helix	trans	-117.1	-64.1	-169.5	-53.4	-176.4	0	0	0	110.9	I550 E611 P618 L619 W817	I550-I615 HydrophobicContact CD1-CG2 4.09Å; I550-I615 HydrophobicContact CG2-CD1 3.3Å; I550-I615 HydrophobicContact CG2-CG2 4.16Å; E611-I615 HydrophobicContact CG-CD1 4.42Å; E611-I615 WeakPolarHBondContact O-CB 3.26Å; E611-I615 PolarHBondContact O-N 2.86Å; I615-P618 WeakPolarHBondContact O-CD 2.91Å; I615-L619 VanDerWaalsContact O-CB 3.24Å; I615-L619 WeakPolarHBondContact O-CB 3.12Å; I615-L619 PolarHBondContact O-N 3.16Å; I615-L619 VanDerWaalsContact O-N 3.07Å; I615-W817 HydrophobicContact CG2-CH2 3.98Å; I615-W817 HydrophobicContact CG2-CZ2 4.42Å; I615-W817 WeakPolarHBondContact O-CZ2 3.36Å
616	Y	85.6	Confident	81.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-76.2	-37.1	-167.7	-65.2	-75	0	0	0	114	I550 K586 L587 R590 E611 C612 L619 A620	I550-Y616 HydrophobicContact CD1-CE1 4.01Å; K586-Y616 VanDerWaalsContact CE-OH 3.23Å; K586-Y616 WeakPolarHBondContact CE-OH 3.35Å; K586-Y616 HydrophobicContact CG-CD1 4.48Å; K586-Y616 HydrophobicContact CG-CE1 3.64Å; L587-Y616 HydrophobicContact CD2-CD1 4.03Å; L587-Y616 HydrophobicContact CD2-CG 4.41Å; L587-Y616 VanDerWaalsContact CD2-O 3.31Å; L587-Y616 WeakPolarHBondContact CD2-O 3.28Å; R590-Y616 HydrophobicContact CB-CG 4.45Å; R590-Y616 VanDerWaalsContact CD-CE2 3.49Å; R590-Y616 HydrophobicContact CG-CD1 3.89Å; R590-Y616 HydrophobicContact CG-CD2 3.7Å; R590-Y616 HydrophobicContact CG-CE1 3.86Å; R590-Y616 HydrophobicContact CG-CE2 3.67Å; R590-Y616 HydrophobicContact CG-CG 3.79Å; E611-Y616 HydrophobicContact CG-CD2 4.33Å; E611-Y616 HydrophobicContact CG-CE2 3.89Å; C612-Y616 PolarHBondContact O-N 3.49Å; Y616-L619 PolarHBondContact O-N 2.87Å; Y616-A620 WeakPolarHBondContact O-CB 3.39Å; Y616-A620 PolarHBondContact O-N 2.78Å
617	A	84.8	Confident	81.4	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-67.4	-45.7	176.2	0	0	0	0	0	112.5	C612 L619 A620 N621 L632 E633	C612-A617 WeakPolarHBondContact O-CB 3.46Å; C612-A617 PolarHBondContact O-N 3.18Å; A617-L619 VanDerWaalsContact C-N 3.32Å; A617-L619 PolarHBondContact O-N 3.09Å; A617-A620 PolarHBondContact O-N 3.29Å; A617-N621 WeakPolarHBondContact O-CB 3.22Å; A617-N621 PolarHBondContact O-N 3.38Å; A617-L632 HydrophobicContact CB-CB 4.16Å; A617-E633 HydrophobicContact CB-CG 3.95Å
618	P	80	Confident	81.6	Confident	36 Å²	36	21.2 Å²	21.2	23%	0.234	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-38.4	171.2	-28.3	37.3	0	0	0	113.3	T613 I615 N621 R622 W817	T613-P618 WeakPolarHBondContact O-CD 3.41Å; T613-P618 WeakPolarHBondContact O-CG 3.47Å; I615-P618 WeakPolarHBondContact O-CD 2.91Å; P618-N621 WeakPolarHBondContact O-CB 3.32Å; P618-N621 PolarHBondContact O-N 2.96Å; P618-R622 PolarHBondContact O-N 3.4Å; P618-R622 VanDerWaalsContact O-N 3.09Å; P618-W817 HydrophobicContact CB-CZ2 4.45Å
619	L	79	Confident	81.7	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-50.5	175	-177	60.2	0	0	0	111.1	M576 V583 I615 Y616 A617 N621 R622 L623 L814 W817	M576-L619 HydrophobicContact CE-CD2 3.74Å; V583-L619 HydrophobicContact CG1-CD2 3.57Å; V583-L619 HydrophobicContact CG1-CG 4.01Å; I615-L619 VanDerWaalsContact O-CB 3.24Å; I615-L619 WeakPolarHBondContact O-CB 3.12Å; I615-L619 PolarHBondContact O-N 3.16Å; I615-L619 VanDerWaalsContact O-N 3.07Å; Y616-L619 PolarHBondContact O-N 2.87Å; A617-L619 VanDerWaalsContact C-N 3.32Å; A617-L619 PolarHBondContact O-N 3.09Å; L619-N621 VanDerWaalsContact C-N 3.29Å; L619-N621 PolarHBondContact O-N 3.24Å; L619-R622 PolarHBondContact O-N 2.9Å; L619-R622 VanDerWaalsContact O-N 3.17Å; L619-L623 HydrophobicContact CD1-CD1 4.43Å; L619-L623 HydrophobicContact CG-CD1 4.2Å; L619-L623 VanDerWaalsContact O-CG 3.3Å; L619-L623 WeakPolarHBondContact O-CG 3.45Å; L619-L623 PolarHBondContact O-N 2.81Å; L619-L814 HydrophobicContact CD1-CD2 4.4Å; L619-W817 HydrophobicContact CB-CH2 4.39Å; L619-W817 HydrophobicContact CB-CZ2 4.33Å; L619-W817 HydrophobicContact CD1-CE3 4.44Å; L619-W817 HydrophobicContact CD1-CZ3 4.32Å
620	A	84.1	Confident	81.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-41.4	175.2	0	0	0	0	0	112.3	L587 Y616 A617 R622 L623 G624 I625 K629 L632	L587-A620 HydrophobicContact CD1-CB 3.87Å; L587-A620 HydrophobicContact CD2-CB 4.14Å; Y616-A620 WeakPolarHBondContact O-CB 3.39Å; Y616-A620 PolarHBondContact O-N 2.78Å; A617-A620 PolarHBondContact O-N 3.29Å; A620-R622 PolarHBondContact O-N 2.86Å; A620-L623 PolarHBondContact O-N 3.04Å; A620-G624 PolarHBondContact O-N 2.89Å; A620-I625 PolarHBondContact O-N 2.66Å; A620-K629 HydrophobicContact CB-CB 3.87Å; A620-L632 HydrophobicContact CB-CD1 4.4Å
621	N	80.9	Confident	81.8	Confident	57 Å²	57	19.2 Å²	19.2	31%	0.305	10%	0.1	S	C	.	.	H	α-helix	trans	-59.7	-43	176.9	-178.2	62.5	0	0	0	112.9	A617 P618 L619 G624 K629 N751	A617-N621 WeakPolarHBondContact O-CB 3.22Å; A617-N621 PolarHBondContact O-N 3.38Å; P618-N621 WeakPolarHBondContact O-CB 3.32Å; P618-N621 PolarHBondContact O-N 2.96Å; L619-N621 VanDerWaalsContact C-N 3.29Å; L619-N621 PolarHBondContact O-N 3.24Å; N621-G624 PolarHBondContact O-N 3.13Å; N621-G624 VanDerWaalsContact O-N 3.14Å; N621-K629 HydrophobicContact CB-CD 3.66Å; N621-K629 HydrophobicContact CB-CG 4.03Å; N621-K629 WeakPolarHBondContact OD1-CD 3.47Å; N621-K629 WeakPolarHBondContact OD1-CE 3.33Å; N621-K629 PolarHBondContact OD1-NZ 3.02Å; N621-N751 WeakPolarHBondContact O-CB 3.21Å; N621-N751 PolarHBondContact O-ND2 2.92Å
622	R	73.7	Confident	82.2	Confident	35 Å²	35	18.9 Å²	18.9	13%	0.132	10%	0.098	C	C	.	.	H	α-helix	trans	-77	-28.5	-179.9	-87.8	-152.7	-154.1	70.1	-9	114.5	P618 L619 A620 G624 N751 W817 E820	P618-R622 PolarHBondContact O-N 3.4Å; P618-R622 VanDerWaalsContact O-N 3.09Å; L619-R622 PolarHBondContact O-N 2.9Å; L619-R622 VanDerWaalsContact O-N 3.17Å; A620-R622 PolarHBondContact O-N 2.86Å; R622-G624 PolarHBondContact O-N 3.35Å; R622-N751 WeakPolarHBondContact O-CB 3.39Å; R622-W817 VanDerWaalsContact CZ-CA 3.45Å; R622-W817 VanDerWaalsContact NE-N 3.18Å; R622-W817 VanDerWaalsContact NH2-CD1 3.26Å; R622-W817 PolarHBondContact NH2-O 3.35Å; R622-E820 IonicContact CZ-OE2 3.08Å; R622-E820 IonicContact NE-OE2 3.65Å; R622-E820 IonicContact NH2-OE2 2.78Å; R622-E820 PolarHBondContact NH2-OE2 3.4Å
623	L	73.9	Confident	82.4	Confident	9 Å²	9	19.5 Å²	19.5	5%	0.047	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.8	167.2	-64.4	173.2	0	0	0	112.3	V583 L587 L619 A620 I625 G784 V785 W810	V583-L623 HydrophobicContact CB-CD1 4.35Å; V583-L623 HydrophobicContact CG1-CD1 3.61Å; L587-L623 HydrophobicContact CD1-CD1 4.04Å; L619-L623 HydrophobicContact CD1-CD1 4.43Å; L619-L623 HydrophobicContact CG-CD1 4.2Å; L619-L623 VanDerWaalsContact O-CG 3.3Å; L619-L623 WeakPolarHBondContact O-CG 3.45Å; L619-L623 PolarHBondContact O-N 2.81Å; A620-L623 PolarHBondContact O-N 3.04Å; L623-I625 HydrophobicContact CB-CD1 3.78Å; L623-I625 HydrophobicContact CB-CG1 3.7Å; L623-I625 HydrophobicContact CD1-CD1 3.95Å; L623-I625 PolarHBondContact O-N 3.23Å; L623-G784 VanDerWaalsContact O-CA 3.24Å; L623-G784 WeakPolarHBondContact O-CA 3.5Å; L623-V785 HydrophobicContact CD2-CG2 4.43Å; L623-V785 PolarHBondContact O-N 3.49Å; L623-W810 HydrophobicContact CD2-CZ2 4.14Å
624	G	74	Confident	82.7	Confident	5 Å²	5	19.2 Å²	19.2	5%	0.052	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	10.6	-176.4	0	0	0	0	0	113.1	A620 N621 R622 G626 G784	A620-G624 PolarHBondContact O-N 2.89Å; N621-G624 PolarHBondContact O-N 3.13Å; N621-G624 VanDerWaalsContact O-N 3.14Å; R622-G624 PolarHBondContact O-N 3.35Å; G624-G626 VanDerWaalsContact C-N 3.25Å; G624-G626 PolarHBondContact O-N 2.83Å; G624-G784 VanDerWaalsContact C-CA 3.48Å; G624-G784 WeakPolarHBondContact O-CA 3.34Å; G624-G784 PolarHBondContact O-N 3.28Å
625	I	81.8	Confident	83.5	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.089	C	C	.	.			trans	-84.6	74.4	-178	-45.9	173.5	0	0	0	108.4	L503 V584 L587 A620 L623 Q627 L628 K629	L503-I625 HydrophobicContact CD1-CG2 4.36Å; L503-I625 HydrophobicContact CD2-CG2 4.31Å; V584-I625 HydrophobicContact CG2-CD1 4.13Å; L587-I625 HydrophobicContact CD1-CD1 4.19Å; A620-I625 PolarHBondContact O-N 2.66Å; L623-I625 HydrophobicContact CB-CD1 3.78Å; L623-I625 HydrophobicContact CB-CG1 3.7Å; L623-I625 HydrophobicContact CD1-CD1 3.95Å; L623-I625 PolarHBondContact O-N 3.23Å; I625-Q627 VanDerWaalsContact C-N 3.29Å; I625-Q627 PolarHBondContact O-N 3.14Å; I625-L628 HydrophobicContact CG2-CB 3.94Å; I625-L628 HydrophobicContact CG2-CD1 3.92Å; I625-L628 HydrophobicContact CG2-CG 3.59Å; I625-L628 PolarHBondContact O-N 3.4Å; I625-K629 WeakPolarHBondContact O-CB 3.21Å; I625-K629 PolarHBondContact O-N 2.97Å; I625-K629 VanDerWaalsContact O-N 3.09Å
626	G	80	Confident	84.3	Confident	7 Å²	7	17.3 Å²	17.3	7%	0.072	9%	0.086	C	C	.	.	H	α-helix	trans	-56.9	-42.4	-175.7	0	0	0	0	0	112.7	G624 L628 K629 W630 E782	G624-G626 VanDerWaalsContact C-N 3.25Å; G624-G626 PolarHBondContact O-N 2.83Å; G626-L628 PolarHBondContact O-N 2.96Å; G626-K629 WeakPolarHBondContact O-CB 3.49Å; G626-K629 PolarHBondContact O-N 3.26Å; G626-W630 VanDerWaalsContact C-CE3 3.41Å; G626-W630 VanDerWaalsContact C-CZ3 3.49Å; G626-W630 PolarHBondContact O-N 3.25Å; G626-E782 PolarHBondContact N-O 3.36Å
627	Q	80.7	Confident	84.6	Confident	70 Å²	70	17.5 Å²	17.5	33%	0.327	9%	0.087	S	C	.	.	H	α-helix	trans	-53.2	-54.7	-179.8	-172.1	93.8	15.7	0	0	111.7	L503 I625 E631 E782	L503-Q627 HydrophobicContact CD2-CB 4.49Å; I625-Q627 VanDerWaalsContact C-N 3.29Å; I625-Q627 PolarHBondContact O-N 3.14Å; Q627-E631 WeakPolarHBondContact O-CB 3.37Å; Q627-E631 PolarHBondContact O-N 3.03Å; Q627-E782 PolarHBondContact N-O 3.36Å
628	L	87.8	Confident	85	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-38.1	-178.3	-59.6	-167.8	0	0	0	111.7	I499 L503 V584 L587 I591 I625 G626 W630 E631 L632	I499-L628 HydrophobicContact CG2-CD2 3.51Å; L503-L628 HydrophobicContact CD1-CD1 3.85Å; L503-L628 HydrophobicContact CD1-CD2 4.22Å; L503-L628 HydrophobicContact CD1-CG 4.09Å; V584-L628 HydrophobicContact CG1-CD1 4.49Å; L587-L628 HydrophobicContact CB-CD1 3.71Å; L587-L628 HydrophobicContact CD1-CD1 4.17Å; I591-L628 HydrophobicContact CD1-CB 3.99Å; I591-L628 HydrophobicContact CD1-CD2 3.64Å; I591-L628 HydrophobicContact CD1-CG 4.25Å; I625-L628 HydrophobicContact CG2-CB 3.94Å; I625-L628 HydrophobicContact CG2-CD1 3.92Å; I625-L628 HydrophobicContact CG2-CG 3.59Å; I625-L628 PolarHBondContact O-N 3.4Å; G626-L628 PolarHBondContact O-N 2.96Å; L628-W630 PolarHBondContact O-N 3.17Å; L628-E631 PolarHBondContact O-N 3.36Å; L628-L632 WeakPolarHBondContact O-CB 3.39Å; L628-L632 VanDerWaalsContact O-CG 3.31Å; L628-L632 WeakPolarHBondContact O-CG 3.4Å; L628-L632 PolarHBondContact O-N 3.35Å
629	K	88.9	Confident	85.5	Confident	23 Å²	23	22.5 Å²	22.5	10%	0.1	10%	0.101	C	C	.	.	H	α-helix	trans	-55.6	-53.9	177.5	177	-153.2	174.7	173.5	0	111	A620 N621 I625 G626 E631 L632 E633	A620-K629 HydrophobicContact CB-CB 3.87Å; N621-K629 HydrophobicContact CB-CD 3.66Å; N621-K629 HydrophobicContact CB-CG 4.03Å; N621-K629 WeakPolarHBondContact OD1-CD 3.47Å; N621-K629 WeakPolarHBondContact OD1-CE 3.33Å; N621-K629 PolarHBondContact OD1-NZ 3.02Å; I625-K629 WeakPolarHBondContact O-CB 3.21Å; I625-K629 PolarHBondContact O-N 2.97Å; I625-K629 VanDerWaalsContact O-N 3.09Å; G626-K629 WeakPolarHBondContact O-CB 3.49Å; G626-K629 PolarHBondContact O-N 3.26Å; K629-E631 VanDerWaalsContact C-N 3.31Å; K629-E631 PolarHBondContact O-N 3.39Å; K629-L632 PolarHBondContact O-N 3.37Å; K629-E633 VanDerWaalsContact CE-CD 3.47Å; K629-E633 WeakPolarHBondContact CE-OE1 3.5Å; K629-E633 WeakPolarHBondContact CE-OE2 3.5Å; K629-E633 HydrophobicContact CG-CG 4.41Å; K629-E633 IonicContact NZ-OE1 2.72Å; K629-E633 WeakPolarHBondContact O-CB 2.91Å; K629-E633 WeakPolarHBondContact O-CG 2.91Å; K629-E633 PolarHBondContact O-N 3.39Å
630	W	87.3	Confident	86.1	Confident	35 Å²	35	24.4 Å²	24.4	13%	0.133	11%	0.111	C	C	.	.	H	α-helix	trans	-68.5	-34.4	-174.9	-58.5	-45.8	0	0	0	112.3	G626 L628 E633 D634 H689 E782	G626-W630 VanDerWaalsContact C-CE3 3.41Å; G626-W630 VanDerWaalsContact C-CZ3 3.49Å; G626-W630 PolarHBondContact O-N 3.25Å; L628-W630 PolarHBondContact O-N 3.17Å; W630-E633 PolarHBondContact O-N 2.78Å; W630-D634 WeakPolarHBondContact O-CB 3.38Å; W630-D634 PolarHBondContact O-N 3.18Å; W630-H689 HydrophobicContact CB-CB 4.26Å; W630-H689 WeakPolarHBondContact CB-CD2 3.31Å; W630-H689 VanDerWaalsContact CB-CG 3.47Å; W630-H689 WeakPolarHBondContact CB-NE2 3.47Å; W630-H689 AromaticContact CD1-CD2 3.94Å; W630-H689 AromaticContact CD2-CD2 3.48Å; W630-H689 VanDerWaalsContact CD2-CD2 3.48Å; W630-H689 AromaticContact CD2-NE2 3.44Å; W630-H689 AromaticContact CE3-CD2 3.8Å; W630-H689 AromaticContact CE3-NE2 3.25Å; W630-H689 AromaticContact CG-CD2 3.3Å; W630-H689 AromaticContact CG-CG 3.84Å; W630-H689 AromaticContact CG-NE2 3.56Å; W630-E782 VanDerWaalsContact CZ3-OE2 3.27Å; W630-E782 WeakPolarHBondContact CZ3-OE2 3.47Å
631	E	89	Confident	86.5	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-47.3	174.2	-174.8	168.3	-167.6	0	0	111.3	V436 R439 I591 R595 Q627 L628 K629 Y635	V436-E631 HydrophobicContact CG1-CG 4.43Å; R439-E631 IonicContact CZ-OE1 2.68Å; R439-E631 IonicContact CZ-OE2 2.88Å; R439-E631 IonicContact NH1-OE1 3.14Å; R439-E631 PolarHBondContact NH1-OE1 3.39Å; R439-E631 IonicContact NH1-OE2 2.87Å; R439-E631 IonicContact NH2-OE1 2.91Å; R439-E631 IonicContact NH2-OE2 2.68Å; R439-E631 PolarHBondContact NH2-OE2 3.11Å; I591-E631 HydrophobicContact CD1-CB 4.38Å; I591-E631 HydrophobicContact CD1-CG 4.27Å; I591-E631 HydrophobicContact CG1-CG 4.48Å; I591-E631 HydrophobicContact CG2-CG 4.04Å; I591-E631 WeakPolarHBondContact CG2-OE1 3.37Å; R595-E631 IonicContact CZ-OE1 2.74Å; R595-E631 VanDerWaalsContact CZ-OE1 3.3Å; R595-E631 IonicContact NE-OE1 3.97Å; R595-E631 IonicContact NH2-OE1 3.82Å; R595-E631 PolarHBondContact NH2-OE1 3.36Å; Q627-E631 WeakPolarHBondContact O-CB 3.37Å; Q627-E631 PolarHBondContact O-N 3.03Å; L628-E631 PolarHBondContact O-N 3.36Å; K629-E631 VanDerWaalsContact C-N 3.31Å; K629-E631 PolarHBondContact O-N 3.39Å; E631-Y635 HydrophobicContact CG-CD2 3.88Å; E631-Y635 HydrophobicContact CG-CE2 3.47Å; E631-Y635 VanDerWaalsContact CG-CE2 3.47Å; E631-Y635 WeakPolarHBondContact O-CD2 3.16Å; E631-Y635 PolarHBondContact O-N 3.09Å; E631-Y635 VanDerWaalsContact O-N 3.1Å
632	L	91.7	Very high	86.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-50.2	172.6	-75	169.1	0	0	0	111.5	L587 R590 I591 L594 C612 A617 A620 L628 K629 D634 Y635 C636	L587-L632 HydrophobicContact CD2-CD1 3.9Å; R590-L632 HydrophobicContact CB-CD2 4.2Å; I591-L632 HydrophobicContact CD1-CD2 4.45Å; I591-L632 HydrophobicContact CD1-CG 4.16Å; I591-L632 HydrophobicContact CG1-CD2 3.48Å; I591-L632 VanDerWaalsContact CG1-CD2 3.48Å; I591-L632 HydrophobicContact CG1-CG 3.67Å; L594-L632 HydrophobicContact CD1-CD2 3.74Å; C612-L632 HydrophobicContact CB-CD2 4.35Å; A617-L632 HydrophobicContact CB-CB 4.16Å; A620-L632 HydrophobicContact CB-CD1 4.4Å; L628-L632 WeakPolarHBondContact O-CB 3.39Å; L628-L632 VanDerWaalsContact O-CG 3.31Å; L628-L632 WeakPolarHBondContact O-CG 3.4Å; L628-L632 PolarHBondContact O-N 3.35Å; K629-L632 PolarHBondContact O-N 3.37Å; L632-D634 PolarHBondContact O-N 3.01Å; L632-Y635 PolarHBondContact O-N 3.44Å; L632-C636 WeakPolarHBondContact O-CB 3.37Å; L632-C636 PolarHBondContact O-N 2.97Å; L632-C636 PolarHBondContact O-SG 3.1Å
633	E	92.1	Very high	87.7	Confident	14 Å²	14	31.9 Å²	31.9	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-45.9	-178.6	-81	-176.7	158	0	0	112.1	A617 K629 W630 C636 F637 Y691 R695	A617-E633 HydrophobicContact CB-CG 3.95Å; K629-E633 VanDerWaalsContact CE-CD 3.47Å; K629-E633 WeakPolarHBondContact CE-OE1 3.5Å; K629-E633 WeakPolarHBondContact CE-OE2 3.5Å; K629-E633 HydrophobicContact CG-CG 4.41Å; K629-E633 IonicContact NZ-OE1 2.72Å; K629-E633 WeakPolarHBondContact O-CB 2.91Å; K629-E633 WeakPolarHBondContact O-CG 2.91Å; K629-E633 PolarHBondContact O-N 3.39Å; W630-E633 PolarHBondContact O-N 2.78Å; E633-C636 PolarHBondContact O-N 2.88Å; E633-F637 VanDerWaalsContact O-CB 3.23Å; E633-F637 WeakPolarHBondContact O-CB 3.42Å; E633-F637 PolarHBondContact O-N 2.91Å; E633-Y691 HydrophobicContact CB-CD1 3.44Å; E633-Y691 VanDerWaalsContact CB-CD1 3.44Å; E633-Y691 HydrophobicContact CB-CE1 3.89Å; E633-Y691 HydrophobicContact CB-CG 4.05Å; E633-Y691 VanDerWaalsContact CD-CD1 3.42Å; E633-Y691 HydrophobicContact CG-CD1 3.63Å; E633-Y691 HydrophobicContact CG-CE1 3.59Å; E633-Y691 WeakPolarHBondContact OE1-CE1 3.28Å; E633-Y691 WeakPolarHBondContact OE2-CD1 3.47Å; E633-R695 IonicContact OE1-CZ 2.8Å; E633-R695 IonicContact OE1-NH1 3.68Å; E633-R695 IonicContact OE1-NH2 3.8Å; E633-R695 PolarHBondContact OE1-NH2 3.09Å
634	D	90.5	Very high	88.5	Confident	23 Å²	23	34 Å²	34	12%	0.123	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-40.1	179.7	-79.3	-15.3	0	0	0	111.9	W630 L632 F637 R638 H689 I690 Y691	W630-D634 WeakPolarHBondContact O-CB 3.38Å; W630-D634 PolarHBondContact O-N 3.18Å; L632-D634 PolarHBondContact O-N 3.01Å; D634-F637 PolarHBondContact O-N 3.43Å; D634-R638 WeakPolarHBondContact O-CB 3.28Å; D634-R638 PolarHBondContact O-N 3.39Å; D634-H689 WeakPolarHBondContact OD2-CB 3.43Å; D634-H689 IonicContact OD2-CG 3.81Å; D634-H689 IonicContact OD2-ND1 3.05Å; D634-H689 PolarHBondContact OD2-ND1 3.17Å; D634-H689 VanDerWaalsContact OD2-ND1 3.17Å; D634-I690 PolarHBondContact OD1-N 3.34Å; D634-I690 PolarHBondContact OD2-N 2.82Å; D634-Y691 WeakPolarHBondContact OD1-CB 3.39Å; D634-Y691 PolarHBondContact OD1-N 3.26Å
635	Y	91.5	Very high	89.3	Confident	29 Å²	29	36 Å²	36	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-43.8	174.3	-76.8	-48.7	0	0	0	112.4	I591 L594 R595 E631 L632 R638 Y639	I591-Y635 HydrophobicContact CG2-CD2 4.47Å; I591-Y635 HydrophobicContact CG2-CE2 4.07Å; L594-Y635 HydrophobicContact CB-CG 4.45Å; R595-Y635 HydrophobicContact CG-CE1 4.2Å; R595-Y635 HydrophobicContact CG-CE2 3.94Å; R595-Y635 PolarHBondContact NE-OH 3.32Å; R595-Y635 PolarHBondContact NH2-OH 3.35Å; R595-Y635 VanDerWaalsContact NH2-OH 3.12Å; E631-Y635 HydrophobicContact CG-CD2 3.88Å; E631-Y635 HydrophobicContact CG-CE2 3.47Å; E631-Y635 VanDerWaalsContact CG-CE2 3.47Å; E631-Y635 WeakPolarHBondContact O-CD2 3.16Å; E631-Y635 PolarHBondContact O-N 3.09Å; E631-Y635 VanDerWaalsContact O-N 3.1Å; L632-Y635 PolarHBondContact O-N 3.44Å; Y635-R638 WeakPolarHBondContact O-CB 3.32Å; Y635-R638 PolarHBondContact O-N 3.32Å; Y635-Y639 VanDerWaalsContact O-CD2 3.27Å; Y635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Y635-Y639 PolarHBondContact O-N 3.36Å
636	C	92.7	Very high	89.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-45.2	176.9	-64.8	0	0	0	0	111.2	A609 C612 T613 L632 E633 R638 Y639 L640	A609-C636 HydrophobicContact CB-CB 4.19Å; A609-C636 PolarHBondContact O-SG 3.18Å; A609-C636 VanDerWaalsContact O-SG 3.37Å; C612-C636 WeakPolarHBondContact CB-SG 3.46Å; T613-C636 WeakPolarHBondContact OG1-CB 3.19Å; L632-C636 WeakPolarHBondContact O-CB 3.37Å; L632-C636 PolarHBondContact O-N 2.97Å; L632-C636 PolarHBondContact O-SG 3.1Å; E633-C636 PolarHBondContact O-N 2.88Å; C636-R638 VanDerWaalsContact C-N 3.26Å; C636-R638 PolarHBondContact O-N 3.38Å; C636-Y639 PolarHBondContact O-N 3.37Å; C636-L640 HydrophobicContact CB-CD1 4.48Å; C636-L640 WeakPolarHBondContact O-CG 3.2Å; C636-L640 PolarHBondContact O-N 3.29Å
637	F	93	Very high	90	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-36.5	179.8	-174	-127.5	0	0	0	112.2	E633 D634 Y639 H641 E644 Y645 I648 I690 Y691 W694	E633-F637 VanDerWaalsContact O-CB 3.23Å; E633-F637 WeakPolarHBondContact O-CB 3.42Å; E633-F637 PolarHBondContact O-N 2.91Å; D634-F637 PolarHBondContact O-N 3.43Å; F637-Y639 VanDerWaalsContact C-N 3.28Å; F637-Y639 PolarHBondContact O-N 3.49Å; F637-H641 HydrophobicContact CD2-CB 3.92Å; F637-H641 AromaticContact CD2-CD2 3.87Å; F637-H641 HydrophobicContact CE2-CB 3.54Å; F637-H641 AromaticContact CE2-CD2 3.8Å; F637-H641 AromaticContact CE2-CG 3.98Å; F637-H641 HydrophobicContact CZ-CB 4.25Å; F637-H641 CarbonylContact O-C 3.55Å; F637-H641 PolarHBondContact O-N 3.42Å; F637-E644 HydrophobicContact CE2-CB 4.34Å; F637-E644 HydrophobicContact CZ-CB 3.68Å; F637-Y645 AromaticContact CD1-CD2 3.79Å; F637-Y645 HydrophobicContact CD1-CD2 3.79Å; F637-Y645 HydrophobicContact CD1-CG 4.4Å; F637-Y645 HydrophobicContact CE1-CD2 4.45Å; F637-I648 HydrophobicContact CE1-CD1 4.35Å; F637-I690 HydrophobicContact CD1-CG2 3.91Å; F637-I690 HydrophobicContact CE1-CG2 3.86Å; F637-Y691 HydrophobicContact CB-CD2 3.78Å; F637-Y691 HydrophobicContact CB-CG 4.28Å; F637-Y691 HydrophobicContact CD1-CD2 4.36Å; F637-Y691 AromaticContact CD2-CD2 3.75Å; F637-Y691 HydrophobicContact CD2-CD2 3.75Å; F637-Y691 HydrophobicContact CD2-CE2 4.32Å; F637-Y691 HydrophobicContact CE2-CD2 4.44Å; F637-Y691 AromaticContact CG-CD2 3.72Å; F637-Y691 HydrophobicContact CG-CD2 3.72Å; F637-Y691 HydrophobicContact CG-CG 4.44Å; F637-W694 HydrophobicContact CD2-CD2 4.48Å; F637-W694 HydrophobicContact CD2-CE3 4.46Å; F637-W694 HydrophobicContact CE1-CB 3.94Å; F637-W694 HydrophobicContact CE1-CG 4.11Å; F637-W694 HydrophobicContact CE2-CB 4.33Å; F637-W694 AromaticContact CE2-CD2 3.56Å; F637-W694 HydrophobicContact CE2-CD2 3.56Å; F637-W694 AromaticContact CE2-CE2 3.8Å; F637-W694 AromaticContact CE2-CE3 3.94Å; F637-W694 HydrophobicContact CE2-CE3 3.94Å; F637-W694 AromaticContact CE2-CG 3.74Å; F637-W694 HydrophobicContact CE2-CG 3.74Å; F637-W694 HydrophobicContact CE2-CZ2 4.37Å; F637-W694 HydrophobicContact CE2-CZ3 4.49Å; F637-W694 HydrophobicContact CZ-CB 3.67Å; F637-W694 AromaticContact CZ-CD1 3.51Å; F637-W694 AromaticContact CZ-CD2 3.72Å; F637-W694 HydrophobicContact CZ-CD2 3.72Å; F637-W694 HydrophobicContact CZ-CE3 4.41Å; F637-W694 AromaticContact CZ-CG 3.33Å; F637-W694 HydrophobicContact CZ-CG 3.33Å; F637-W694 AromaticContact CZ-NE1 3.93Å
638	R	92.4	Very high	90.3	Very high	119 Å²	119	44.2 Å²	44.2	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-36.3	174.1	179.4	178.9	174.1	165.7	-1.8	113.1	D634 Y635 C636 P642 Y645	D634-R638 WeakPolarHBondContact O-CB 3.28Å; D634-R638 PolarHBondContact O-N 3.39Å; Y635-R638 WeakPolarHBondContact O-CB 3.32Å; Y635-R638 PolarHBondContact O-N 3.32Å; C636-R638 VanDerWaalsContact C-N 3.26Å; C636-R638 PolarHBondContact O-N 3.38Å; R638-P642 WeakPolarHBondContact O-CA 3.38Å; R638-P642 WeakPolarHBondContact O-CB 3.49Å; R638-Y645 HydrophobicContact CB-CD1 4.23Å; R638-Y645 HydrophobicContact CB-CD2 3.79Å; R638-Y645 HydrophobicContact CB-CE1 4.33Å; R638-Y645 HydrophobicContact CB-CE2 3.89Å; R638-Y645 HydrophobicContact CB-CG 3.99Å; R638-Y645 HydrophobicContact CG-CD1 4.09Å; R638-Y645 HydrophobicContact CG-CE1 4.11Å; R638-Y645 HydrophobicContact CG-CG 4.33Å
639	Y	91.5	Very high	90.1	Very high	25 Å²	25	45.7 Å²	45.7	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-90	-37.1	179.9	-60.9	-50	0	0	0	113.3	L594 V597 K598 R605 A609 Y635 C636 F637	L594-Y639 HydrophobicContact CD2-CD2 4.36Å; L594-Y639 HydrophobicContact CD2-CE2 4.3Å; L594-Y639 VanDerWaalsContact O-CE2 3.29Å; L594-Y639 WeakPolarHBondContact O-CE2 3.41Å; L594-Y639 PolarHBondContact O-OH 2.97Å; V597-Y639 HydrophobicContact CG1-CE2 3.99Å; K598-Y639 VanDerWaalsContact CA-OH 3.3Å; K598-Y639 WeakPolarHBondContact CA-OH 2.98Å; K598-Y639 WeakPolarHBondContact CB-OH 3.43Å; R605-Y639 HydrophobicContact CB-CD1 4.18Å; R605-Y639 HydrophobicContact CB-CG 4.21Å; R605-Y639 HydrophobicContact CG-CD1 4.42Å; R605-Y639 HydrophobicContact CG-CE1 4.44Å; A609-Y639 HydrophobicContact CB-CD2 4.23Å; Y635-Y639 VanDerWaalsContact O-CD2 3.27Å; Y635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Y635-Y639 PolarHBondContact O-N 3.36Å; C636-Y639 PolarHBondContact O-N 3.37Å; F637-Y639 VanDerWaalsContact C-N 3.28Å; F637-Y639 PolarHBondContact O-N 3.49Å
640	L	91	Very high	89.8	Confident	43 Å²	43	51.1 Å²	51.1	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-75.7	-36.5	-179.1	-62.7	176.3	0	0	0	112.8	V606 A609 K610 T613 C636	V606-L640 HydrophobicContact CG1-CD2 4.1Å; A609-L640 HydrophobicContact CB-CD1 4.37Å; A609-L640 HydrophobicContact CB-CD2 3.84Å; A609-L640 HydrophobicContact CB-CG 3.79Å; K610-L640 HydrophobicContact CG-CD2 3.59Å; T613-L640 HydrophobicContact CG2-CD1 4.49Å; T613-L640 WeakPolarHBondContact OG1-CD1 3.31Å; C636-L640 HydrophobicContact CB-CD1 4.48Å; C636-L640 WeakPolarHBondContact O-CG 3.2Å; C636-L640 PolarHBondContact O-N 3.29Å
641	H	91.3	Very high	89.5	Confident	88 Å²	88	51.3 Å²	51.3	41%	0.407	24%	0.243	S	C	.	.			trans	-137	63.8	-177.5	-59.8	-66.5	0	0	0	111.2	F637 T643 E644 Y645	F637-H641 HydrophobicContact CD2-CB 3.92Å; F637-H641 AromaticContact CD2-CD2 3.87Å; F637-H641 HydrophobicContact CE2-CB 3.54Å; F637-H641 AromaticContact CE2-CD2 3.8Å; F637-H641 AromaticContact CE2-CG 3.98Å; F637-H641 HydrophobicContact CZ-CB 4.25Å; F637-H641 CarbonylContact O-C 3.55Å; F637-H641 PolarHBondContact O-N 3.42Å; H641-T643 VanDerWaalsContact C-N 3.25Å; H641-T643 PolarHBondContact O-N 3.4Å; H641-E644 HydrophobicContact CB-CB 4.23Å; H641-E644 PolarHBondContact O-N 3.43Å; H641-E644 VanDerWaalsContact O-N 3.16Å; H641-Y645 WeakPolarHBondContact O-CB 3.48Å; H641-Y645 PolarHBondContact O-N 3.01Å
642	P	90.9	Very high	89.1	Confident	55 Å²	55	51.7 Å²	51.7	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-34.7	-173.4	22.3	-33.8	0	0	0	113.3	R638 K646	R638-P642 WeakPolarHBondContact O-CA 3.38Å; R638-P642 WeakPolarHBondContact O-CB 3.49Å; P642-K646 WeakPolarHBondContact O-CB 3.49Å; P642-K646 VanDerWaalsContact O-CG 3.24Å; P642-K646 WeakPolarHBondContact O-CG 3.48Å; P642-K646 PolarHBondContact O-N 2.98Å
643	T	89.6	Confident	88.2	Confident	106 Å²	106	56.7 Å²	56.7	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-49.5	177.8	-52.4	0	0	0	0	111.4	H641 K646 R647	H641-T643 VanDerWaalsContact C-N 3.25Å; H641-T643 PolarHBondContact O-N 3.4Å; T643-K646 PolarHBondContact O-N 3.27Å; T643-R647 VanDerWaalsContact O-CB 3.29Å; T643-R647 WeakPolarHBondContact O-CB 3.23Å; T643-R647 PolarHBondContact O-N 3.19Å
644	E	90.2	Very high	87.2	Confident	54 Å²	54	61.8 Å²	61.8	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-68.6	-40.7	179.7	-68.3	-56.1	121.1	0	0	111.8	F637 H641 K646 R647 I648	F637-E644 HydrophobicContact CE2-CB 4.34Å; F637-E644 HydrophobicContact CZ-CB 3.68Å; H641-E644 HydrophobicContact CB-CB 4.23Å; H641-E644 PolarHBondContact O-N 3.43Å; H641-E644 VanDerWaalsContact O-N 3.16Å; E644-K646 PolarHBondContact O-N 3.07Å; E644-R647 PolarHBondContact O-N 2.81Å; E644-R647 IonicContact OE1-NE 3.71Å; E644-R647 IonicContact OE2-CZ 3.63Å; E644-R647 VanDerWaalsContact OE2-CZ 3.24Å; E644-R647 IonicContact OE2-NE 3.9Å; E644-R647 PolarHBondContact OE2-NE 3.48Å; E644-R647 IonicContact OE2-NH2 3.55Å; E644-R647 PolarHBondContact OE2-NH2 3.11Å; E644-I648 WeakPolarHBondContact O-CG1 3.25Å; E644-I648 PolarHBondContact O-N 3.33Å
645	Y	91.2	Very high	86.3	Confident	47 Å²	47	66.1 Å²	66.1	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-52.6	173.2	178.7	-84.8	0	0	0	111.2	F637 R638 H641 R647 I648 A649 I690	F637-Y645 AromaticContact CD1-CD2 3.79Å; F637-Y645 HydrophobicContact CD1-CD2 3.79Å; F637-Y645 HydrophobicContact CD1-CG 4.4Å; F637-Y645 HydrophobicContact CE1-CD2 4.45Å; R638-Y645 HydrophobicContact CB-CD1 4.23Å; R638-Y645 HydrophobicContact CB-CD2 3.79Å; R638-Y645 HydrophobicContact CB-CE1 4.33Å; R638-Y645 HydrophobicContact CB-CE2 3.89Å; R638-Y645 HydrophobicContact CB-CG 3.99Å; R638-Y645 HydrophobicContact CG-CD1 4.09Å; R638-Y645 HydrophobicContact CG-CE1 4.11Å; R638-Y645 HydrophobicContact CG-CG 4.33Å; H641-Y645 WeakPolarHBondContact O-CB 3.48Å; H641-Y645 PolarHBondContact O-N 3.01Å; Y645-R647 VanDerWaalsContact C-N 3.34Å; Y645-R647 PolarHBondContact O-N 3.28Å; Y645-I648 PolarHBondContact O-N 2.76Å; Y645-A649 VanDerWaalsContact O-CB 3.24Å; Y645-A649 WeakPolarHBondContact O-CB 3.03Å; Y645-A649 PolarHBondContact O-N 3.41Å; Y645-I690 HydrophobicContact CD2-CB 4.44Å; Y645-I690 HydrophobicContact CD2-CD1 4.23Å; Y645-I690 HydrophobicContact CD2-CG2 3.88Å; Y645-I690 HydrophobicContact CE1-CD1 4.35Å; Y645-I690 HydrophobicContact CE2-CB 4.3Å; Y645-I690 HydrophobicContact CE2-CD1 3.55Å; Y645-I690 HydrophobicContact CE2-CG2 4.19Å; Y645-I690 HydrophobicContact CG-CG2 4.5Å
646	K	87.7	Confident	85.4	Confident	149 Å²	149	67.1 Å²	67.1	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-38.9	179	-73.9	175.7	-176.6	178.8	0	111.9	P642 T643 E644 K650	P642-K646 WeakPolarHBondContact O-CB 3.49Å; P642-K646 VanDerWaalsContact O-CG 3.24Å; P642-K646 WeakPolarHBondContact O-CG 3.48Å; P642-K646 PolarHBondContact O-N 2.98Å; T643-K646 PolarHBondContact O-N 3.27Å; E644-K646 PolarHBondContact O-N 3.07Å; K646-K650 WeakPolarHBondContact O-CB 3.44Å; K646-K650 PolarHBondContact O-N 3.33Å
647	R	88.8	Confident	84.4	Confident	101 Å²	101	72 Å²	72	38%	0.381	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-51	177.5	-172.9	179.4	73.4	95.3	-1.2	111.5	T643 E644 Y645 K650 L651	T643-R647 VanDerWaalsContact O-CB 3.29Å; T643-R647 WeakPolarHBondContact O-CB 3.23Å; T643-R647 PolarHBondContact O-N 3.19Å; E644-R647 PolarHBondContact O-N 2.81Å; E644-R647 IonicContact OE1-NE 3.71Å; E644-R647 IonicContact OE2-CZ 3.63Å; E644-R647 VanDerWaalsContact OE2-CZ 3.24Å; E644-R647 IonicContact OE2-NE 3.9Å; E644-R647 PolarHBondContact OE2-NE 3.48Å; E644-R647 IonicContact OE2-NH2 3.55Å; E644-R647 PolarHBondContact OE2-NH2 3.11Å; Y645-R647 VanDerWaalsContact C-N 3.34Å; Y645-R647 PolarHBondContact O-N 3.28Å; R647-K650 PolarHBondContact O-N 2.95Å; R647-L651 HydrophobicContact CG-CD1 4.27Å; R647-L651 WeakPolarHBondContact O-CG 3.49Å; R647-L651 PolarHBondContact O-N 3.25Å
648	I	86.7	Confident	83.6	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.5	-40.8	179.7	-65.7	170.7	0	0	0	110.9	F637 E644 Y645 K650 L651 L652 I690 I693 W694 M697 F704	F637-I648 HydrophobicContact CE1-CD1 4.35Å; E644-I648 WeakPolarHBondContact O-CG1 3.25Å; E644-I648 PolarHBondContact O-N 3.33Å; Y645-I648 PolarHBondContact O-N 2.76Å; I648-K650 VanDerWaalsContact C-N 3.31Å; I648-K650 PolarHBondContact O-N 3.18Å; I648-L651 PolarHBondContact O-N 3.37Å; I648-L652 HydrophobicContact CG2-CD1 4.01Å; I648-L652 HydrophobicContact CG2-CG 4.31Å; I648-L652 WeakPolarHBondContact O-CB 3.32Å; I648-L652 WeakPolarHBondContact O-CG 3.24Å; I648-L652 PolarHBondContact O-N 3.33Å; I648-I690 HydrophobicContact CB-CG2 4.05Å; I648-I690 HydrophobicContact CG2-CG2 3.87Å; I648-I693 HydrophobicContact CG2-CB 4.26Å; I648-I693 HydrophobicContact CG2-CG2 3.85Å; I648-W694 HydrophobicContact CD1-CB 3.5Å; I648-W694 VanDerWaalsContact CD1-CB 3.5Å; I648-W694 HydrophobicContact CD1-CG 4.06Å; I648-M697 HydrophobicContact CD1-SD 4.08Å; I648-M697 HydrophobicContact CG1-SD 4.27Å; I648-F704 HydrophobicContact CG2-CE2 4.3Å
649	A	84.3	Confident	82.9	Confident	31 Å²	31	73.9 Å²	73.9	26%	0.256	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-42.6	175.2	0	0	0	0	0	111.9	Y645 L652 H653 I690	Y645-A649 VanDerWaalsContact O-CB 3.24Å; Y645-A649 WeakPolarHBondContact O-CB 3.03Å; Y645-A649 PolarHBondContact O-N 3.41Å; A649-L652 PolarHBondContact O-N 3.47Å; A649-H653 WeakPolarHBondContact O-CB 3.29Å; A649-H653 PolarHBondContact O-N 2.91Å; A649-I690 HydrophobicContact CB-CD1 4.09Å
650	K	82.3	Confident	82.3	Confident	137 Å²	137	75.5 Å²	75.5	60%	0.596	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-48.3	175.9	-174.6	176.7	176.6	-178	0	111.8	K646 R647 I648 L652 H653 E654	K646-K650 WeakPolarHBondContact O-CB 3.44Å; K646-K650 PolarHBondContact O-N 3.33Å; R647-K650 PolarHBondContact O-N 2.95Å; I648-K650 VanDerWaalsContact C-N 3.31Å; I648-K650 PolarHBondContact O-N 3.18Å; K650-L652 VanDerWaalsContact C-N 3.32Å; K650-L652 PolarHBondContact O-N 2.97Å; K650-H653 WeakPolarHBondContact O-CB 3.3Å; K650-H653 PolarHBondContact O-N 3.48Å; K650-H653 VanDerWaalsContact O-N 3.13Å; K650-E654 WeakPolarHBondContact CE-OE1 3.05Å; K650-E654 WeakPolarHBondContact O-CG 3.45Å; K650-E654 PolarHBondContact O-N 3.46Å
651	L	82.2	Confident	81.9	Confident	39 Å²	39	78 Å²	78	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-37.7	177.9	-70.1	168.3	0	0	0	112.6	R647 I648 H653 R655 F704	R647-L651 HydrophobicContact CG-CD1 4.27Å; R647-L651 WeakPolarHBondContact O-CG 3.49Å; R647-L651 PolarHBondContact O-N 3.25Å; I648-L651 PolarHBondContact O-N 3.37Å; L651-H653 VanDerWaalsContact C-N 3.32Å; L651-H653 PolarHBondContact O-N 2.95Å; L651-R655 PolarHBondContact O-N 3Å; L651-F704 HydrophobicContact CB-CD1 3.76Å; L651-F704 HydrophobicContact CB-CD2 4.19Å; L651-F704 HydrophobicContact CB-CE1 3.65Å; L651-F704 HydrophobicContact CB-CE2 4.08Å; L651-F704 HydrophobicContact CB-CG 4.04Å; L651-F704 HydrophobicContact CB-CZ 3.81Å; L651-F704 HydrophobicContact CD1-CB 3.78Å; L651-F704 HydrophobicContact CD1-CD1 4.12Å; L651-F704 HydrophobicContact CD1-CD2 4.19Å; L651-F704 HydrophobicContact CD1-CG 3.77Å; L651-F704 HydrophobicContact CD2-CD1 4.45Å; L651-F704 HydrophobicContact CG-CD1 4.34Å; L651-F704 HydrophobicContact CG-CG 4.44Å
652	L	80.4	Confident	81.5	Confident	22 Å²	22	74.7 Å²	74.7	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-36.3	174.3	-83.5	171.6	0	0	0	112.9	I648 A649 K650 R656 R659 I690 I693 F704 V710	I648-L652 HydrophobicContact CG2-CD1 4.01Å; I648-L652 HydrophobicContact CG2-CG 4.31Å; I648-L652 WeakPolarHBondContact O-CB 3.32Å; I648-L652 WeakPolarHBondContact O-CG 3.24Å; I648-L652 PolarHBondContact O-N 3.33Å; A649-L652 PolarHBondContact O-N 3.47Å; K650-L652 VanDerWaalsContact C-N 3.32Å; K650-L652 PolarHBondContact O-N 2.97Å; L652-R656 PolarHBondContact O-N 2.96Å; L652-R659 PolarHBondContact O-NH1 2.95Å; L652-R659 VanDerWaalsContact O-NH1 3.14Å; L652-R659 PolarHBondContact O-NH2 3.39Å; L652-I690 HydrophobicContact CD1-CG1 3.93Å; L652-I693 HydrophobicContact CD1-CD1 3.64Å; L652-I693 HydrophobicContact CD2-CD1 3.73Å; L652-I693 HydrophobicContact CG-CD1 4.07Å; L652-F704 HydrophobicContact CD2-CE2 4.3Å; L652-F704 HydrophobicContact CD2-CZ 4.04Å; L652-F704 HydrophobicContact CG-CE2 4.17Å; L652-F704 HydrophobicContact CG-CZ 4.11Å; L652-V710 HydrophobicContact CD2-CG1 3.47Å; L652-V710 VanDerWaalsContact CD2-CG1 3.47Å
653	H	72.7	Confident	81.3	Confident	105 Å²	105	73.1 Å²	73.1	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-73.5	-44.8	179.1	-174.6	76.8	0	0	0	111.4	A649 K650 L651 R655 R656	A649-H653 WeakPolarHBondContact O-CB 3.29Å; A649-H653 PolarHBondContact O-N 2.91Å; K650-H653 WeakPolarHBondContact O-CB 3.3Å; K650-H653 PolarHBondContact O-N 3.48Å; K650-H653 VanDerWaalsContact O-N 3.13Å; L651-H653 VanDerWaalsContact C-N 3.32Å; L651-H653 PolarHBondContact O-N 2.95Å; H653-R655 VanDerWaalsContact C-N 3.27Å; H653-R655 PolarHBondContact O-N 3.01Å; H653-R656 WeakPolarHBondContact O-CB 3.5Å; H653-R656 PolarHBondContact O-N 3.3Å
654	E	70.2	Confident	81.1	Confident	121 Å²	121	72.7 Å²	72.7	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-57.6	-36.9	178.7	-75.1	174.4	178.7	0	0	113	K650	K650-E654 WeakPolarHBondContact CE-OE1 3.05Å; K650-E654 WeakPolarHBondContact O-CG 3.45Å; K650-E654 PolarHBondContact O-N 3.46Å
655	R	71.1	Confident	81	Confident	114 Å²	114	75.2 Å²	75.2	43%	0.43	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.4	177.9	-63.4	-168.1	177.9	-165.8	-0.8	114.2	L651 H653 R659 D705	L651-R655 PolarHBondContact O-N 3Å; H653-R655 VanDerWaalsContact C-N 3.27Å; H653-R655 PolarHBondContact O-N 3.01Å; R655-R659 WeakPolarHBondContact O-CB 3.24Å; R655-R659 PolarHBondContact O-N 3.47Å; R655-R659 VanDerWaalsContact O-N 3.15Å; R655-D705 IonicContact CZ-OD1 3.15Å; R655-D705 IonicContact NE-OD1 2.91Å; R655-D705 IonicContact NH1-OD1 2.87Å; R655-D705 VanDerWaalsContact NH2-CG 3.26Å; R655-D705 IonicContact NH2-OD1 2.68Å; R655-D705 PolarHBondContact NH2-OD1 3.41Å; R655-D705 IonicContact NH2-OD2 2.77Å
656	R	72.5	Confident	81	Confident	51 Å²	51	73 Å²	73	19%	0.192	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-53.6	-174	-179.8	-179.7	179.2	148.7	11.2	112.5	T434 L652 H653 D658 R659 E660	T434-R656 VanDerWaalsContact CG2-NH2 3.33Å; T434-R656 VanDerWaalsContact OG1-CZ 3.28Å; T434-R656 PolarHBondContact OG1-NH1 2.97Å; T434-R656 PolarHBondContact OG1-NH2 3.28Å; L652-R656 PolarHBondContact O-N 2.96Å; H653-R656 WeakPolarHBondContact O-CB 3.5Å; H653-R656 PolarHBondContact O-N 3.3Å; R656-D658 PolarHBondContact O-N 3.04Å; R656-R659 PolarHBondContact O-N 3.33Å; R656-R659 VanDerWaalsContact O-N 3.15Å; R656-E660 HydrophobicContact CG-CG 4.27Å; R656-E660 IonicContact CZ-OE1 2.59Å; R656-E660 VanDerWaalsContact CZ-OE1 3.3Å; R656-E660 IonicContact NE-OE1 3.65Å; R656-E660 PolarHBondContact NE-OE1 3.49Å; R656-E660 IonicContact NE-OE2 3.69Å; R656-E660 PolarHBondContact NE-OE2 2.91Å; R656-E660 IonicContact NH2-OE1 3.3Å; R656-E660 PolarHBondContact NH2-OE1 3.28Å; R656-E660 PolarHBondContact O-N 3.42Å
657	L	73	Confident	81.2	Confident	101 Å²	101	66.4 Å²	66.4	53%	0.529	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-49.6	-177.8	-90.6	134.8	0	0	0	111.7	R659 E660 H661	L657-R659 PolarHBondContact O-N 2.92Å; L657-E660 PolarHBondContact O-N 3.26Å; L657-H661 VanDerWaalsContact O-CB 3.29Å; L657-H661 WeakPolarHBondContact O-CB 3.31Å; L657-H661 PolarHBondContact O-N 2.9Å
658	D	75.4	Confident	81.4	Confident	117 Å²	117	63.3 Å²	63.3	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-59.9	-37.3	178	-66	-15.6	0	0	0	112.1	R656 Y662	R656-D658 PolarHBondContact O-N 3.04Å; D658-Y662 WeakPolarHBondContact O-CB 3.4Å; D658-Y662 PolarHBondContact O-N 3.47Å; D658-Y662 VanDerWaalsContact O-N 3.11Å
659	R	77.7	Confident	81.7	Confident	45 Å²	45	66.4 Å²	66.4	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-45.4	179.4	-176.5	175	62.5	-117.8	-3.6	111.8	L652 R655 R656 L657 I663 V710 R711	L652-R659 PolarHBondContact O-NH1 2.95Å; L652-R659 VanDerWaalsContact O-NH1 3.14Å; L652-R659 PolarHBondContact O-NH2 3.39Å; R655-R659 WeakPolarHBondContact O-CB 3.24Å; R655-R659 PolarHBondContact O-N 3.47Å; R655-R659 VanDerWaalsContact O-N 3.15Å; R656-R659 PolarHBondContact O-N 3.33Å; R656-R659 VanDerWaalsContact O-N 3.15Å; L657-R659 PolarHBondContact O-N 2.92Å; R659-I663 HydrophobicContact CG-CD1 3.86Å; R659-I663 WeakPolarHBondContact O-CB 3.3Å; R659-I663 WeakPolarHBondContact O-CG1 3.44Å; R659-I663 PolarHBondContact O-N 3.46Å; R659-V710 WeakPolarHBondContact CD-O 3.4Å; R659-R711 HydrophobicContact CG-CG 3.97Å
660	E	79.8	Confident	82.1	Confident	60 Å²	60	65 Å²	65	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-48.3	177.6	-77.3	175.5	166	0	0	110.4	R656 L657 Y662 I663 E664	R656-E660 HydrophobicContact CG-CG 4.27Å; R656-E660 IonicContact CZ-OE1 2.59Å; R656-E660 VanDerWaalsContact CZ-OE1 3.3Å; R656-E660 IonicContact NE-OE1 3.65Å; R656-E660 PolarHBondContact NE-OE1 3.49Å; R656-E660 IonicContact NE-OE2 3.69Å; R656-E660 PolarHBondContact NE-OE2 2.91Å; R656-E660 IonicContact NH2-OE1 3.3Å; R656-E660 PolarHBondContact NH2-OE1 3.28Å; R656-E660 PolarHBondContact O-N 3.42Å; L657-E660 PolarHBondContact O-N 3.26Å; E660-Y662 PolarHBondContact O-N 2.93Å; E660-I663 PolarHBondContact O-N 3.32Å; E660-E664 PolarHBondContact O-N 3.23Å
661	H	81.1	Confident	82.7	Confident	95 Å²	95	65 Å²	65	44%	0.44	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-47.3	177	-177.2	56	0	0	0	112.2	L657 I663 E664 E665	L657-H661 VanDerWaalsContact O-CB 3.29Å; L657-H661 WeakPolarHBondContact O-CB 3.31Å; L657-H661 PolarHBondContact O-N 2.9Å; H661-I663 VanDerWaalsContact C-N 3.34Å; H661-I663 PolarHBondContact O-N 3.39Å; H661-E664 PolarHBondContact O-N 3.15Å; H661-E665 IonicContact CE1-OE1 2.87Å; H661-E665 IonicContact NE2-OE1 3.19Å; H661-E665 PolarHBondContact NE2-OE1 3.42Å; H661-E665 PolarHBondContact O-N 3.36Å
662	Y	84.8	Confident	83.1	Confident	18 Å²	18	65.8 Å²	65.8	7%	0.071	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-42.8	176.8	-176.6	-80.5	0	0	0	112.5	D658 E660 F666 R711 G762 P763 K766 V768	D658-Y662 WeakPolarHBondContact O-CB 3.4Å; D658-Y662 PolarHBondContact O-N 3.47Å; D658-Y662 VanDerWaalsContact O-N 3.11Å; E660-Y662 PolarHBondContact O-N 2.93Å; Y662-F666 VanDerWaalsContact O-CB 3.29Å; Y662-F666 WeakPolarHBondContact O-CB 3.31Å; Y662-F666 PolarHBondContact O-N 2.82Å; Y662-R711 HydrophobicContact CD1-CG 4.33Å; Y662-G762 WeakPolarHBondContact OH-CA 3.05Å; Y662-P763 WeakPolarHBondContact CE2-O 3.29Å; Y662-P763 PolarHBondContact OH-O 3.13Å; Y662-P763 VanDerWaalsContact OH-O 3.08Å; Y662-K766 HydrophobicContact CD2-CD 4.15Å; Y662-K766 HydrophobicContact CE2-CB 3.69Å; Y662-K766 HydrophobicContact CE2-CD 3.87Å; Y662-K766 HydrophobicContact CE2-CG 4.3Å; Y662-K766 VanDerWaalsContact OH-CB 3.29Å; Y662-K766 WeakPolarHBondContact OH-CB 3.21Å; Y662-K766 PolarHBondContact OH-O 3.01Å; Y662-V768 HydrophobicContact CE1-CG2 3.56Å
663	I	86.2	Confident	83.7	Confident	22 Å²	22	67.5 Å²	67.5	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-41.9	177.9	-74.9	172.4	0	0	0	110.2	R659 E660 H661 F666 V667 G685 R711	R659-I663 HydrophobicContact CG-CD1 3.86Å; R659-I663 WeakPolarHBondContact O-CB 3.3Å; R659-I663 WeakPolarHBondContact O-CG1 3.44Å; R659-I663 PolarHBondContact O-N 3.46Å; E660-I663 PolarHBondContact O-N 3.32Å; H661-I663 VanDerWaalsContact C-N 3.34Å; H661-I663 PolarHBondContact O-N 3.39Å; I663-F666 PolarHBondContact O-N 2.8Å; I663-V667 HydrophobicContact CG2-CG2 4.05Å; I663-V667 WeakPolarHBondContact O-CB 3.33Å; I663-V667 WeakPolarHBondContact O-CG2 3.47Å; I663-V667 PolarHBondContact O-N 3.15Å; I663-G685 VanDerWaalsContact CG2-CA 3.46Å; I663-R711 HydrophobicContact CD1-CG 4.44Å; I663-R711 HydrophobicContact CG1-CB 4.41Å; I663-R711 HydrophobicContact CG1-CG 4.3Å
664	E	85.8	Confident	84.6	Confident	98 Å²	98	62.7 Å²	62.7	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-44.7	177.1	-78	-164.9	156.2	0	0	112.6	E660 H661 G668	E660-E664 PolarHBondContact O-N 3.23Å; H661-E664 PolarHBondContact O-N 3.15Å; E664-G668 WeakPolarHBondContact O-CA 3.37Å; E664-G668 PolarHBondContact O-N 2.94Å
665	E	88	Confident	85.7	Confident	107 Å²	107	65.4 Å²	65.4	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-46.8	175.6	-71.9	-169	149.3	0	0	111.2	H661 G668 H669	H661-E665 IonicContact CE1-OE1 2.87Å; H661-E665 IonicContact NE2-OE1 3.19Å; H661-E665 PolarHBondContact NE2-OE1 3.42Å; H661-E665 PolarHBondContact O-N 3.36Å; E665-G668 PolarHBondContact O-N 3.15Å; E665-H669 WeakPolarHBondContact O-CB 3.39Å; E665-H669 PolarHBondContact O-N 3.33Å
666	F	90.8	Very high	86.6	Confident	1 Å²	1	63.8 Å²	63.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-46.8	179.4	-170.4	-91.8	0	0	0	112.3	Y662 I663 H669 L670 V713 Y734 V760 V768 I770	Y662-F666 VanDerWaalsContact O-CB 3.29Å; Y662-F666 WeakPolarHBondContact O-CB 3.31Å; Y662-F666 PolarHBondContact O-N 2.82Å; I663-F666 PolarHBondContact O-N 2.8Å; F666-H669 PolarHBondContact O-N 3.49Å; F666-L670 HydrophobicContact CD1-CD1 3.88Å; F666-L670 HydrophobicContact CD1-CG 4.33Å; F666-L670 HydrophobicContact CE1-CD1 3.34Å; F666-L670 HydrophobicContact CE1-CG 4.02Å; F666-L670 HydrophobicContact CZ-CD1 4.03Å; F666-L670 HydrophobicContact CZ-CG 4.42Å; F666-L670 WeakPolarHBondContact O-CG 3.39Å; F666-L670 PolarHBondContact O-N 3.22Å; F666-V713 HydrophobicContact CD1-CB 4.49Å; F666-V713 HydrophobicContact CD1-CG2 3.83Å; F666-V713 HydrophobicContact CE1-CG2 4.25Å; F666-Y734 HydrophobicContact CD2-CE1 4.49Å; F666-Y734 AromaticContact CD2-CE2 3.97Å; F666-Y734 HydrophobicContact CD2-CE2 3.97Å; F666-Y734 AromaticContact CD2-CZ 3.94Å; F666-Y734 HydrophobicContact CE2-CD1 4.21Å; F666-Y734 AromaticContact CE2-CD2 3.5Å; F666-Y734 HydrophobicContact CE2-CD2 3.5Å; F666-Y734 VanDerWaalsContact CE2-CD2 3.5Å; F666-Y734 HydrophobicContact CE2-CE1 4.08Å; F666-Y734 AromaticContact CE2-CE2 3.34Å; F666-Y734 HydrophobicContact CE2-CE2 3.34Å; F666-Y734 AromaticContact CE2-CG 3.92Å; F666-Y734 HydrophobicContact CE2-CG 3.92Å; F666-Y734 AromaticContact CE2-CZ 3.65Å; F666-Y734 AromaticContact CZ-CD2 3.74Å; F666-Y734 HydrophobicContact CZ-CD2 3.74Å; F666-Y734 AromaticContact CZ-CE2 3.83Å; F666-Y734 HydrophobicContact CZ-CE2 3.83Å; F666-Y734 HydrophobicContact CZ-CG 4.39Å; F666-V760 HydrophobicContact CE2-CG2 4.23Å; F666-V760 HydrophobicContact CZ-CG2 3.81Å; F666-V768 HydrophobicContact CD1-CG1 4.03Å; F666-V768 HydrophobicContact CD2-CG2 4.09Å; F666-V768 HydrophobicContact CE1-CB 4.36Å; F666-V768 HydrophobicContact CE1-CG1 3.78Å; F666-V768 HydrophobicContact CE2-CB 4.36Å; F666-V768 HydrophobicContact CE2-CG2 4.01Å; F666-V768 HydrophobicContact CG-CG1 4.48Å; F666-V768 HydrophobicContact CG-CG2 4.48Å; F666-V768 HydrophobicContact CZ-CB 4.17Å; F666-V768 HydrophobicContact CZ-CG1 4.11Å; F666-V768 HydrophobicContact CZ-CG2 4.32Å; F666-I770 HydrophobicContact CE1-CD1 3.68Å; F666-I770 HydrophobicContact CE1-CG1 4.15Å; F666-I770 HydrophobicContact CZ-CD1 3.63Å; F666-I770 HydrophobicContact CZ-CG1 4.45Å
667	V	92.4	Very high	87.5	Confident	9 Å²	9	68 Å²	68	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-42.7	176.4	167.5	0	0	0	0	110.7	I663 H669 L670 R671 V683 V713	I663-V667 HydrophobicContact CG2-CG2 4.05Å; I663-V667 WeakPolarHBondContact O-CB 3.33Å; I663-V667 WeakPolarHBondContact O-CG2 3.47Å; I663-V667 PolarHBondContact O-N 3.15Å; V667-H669 VanDerWaalsContact C-N 3.34Å; V667-H669 PolarHBondContact O-N 2.83Å; V667-L670 PolarHBondContact O-N 2.71Å; V667-R671 HydrophobicContact CG1-CG 4.24Å; V667-R671 WeakPolarHBondContact O-CB 3.16Å; V667-R671 VanDerWaalsContact O-CG 3.3Å; V667-R671 WeakPolarHBondContact O-CG 3.22Å; V667-R671 PolarHBondContact O-N 3Å; V667-V683 HydrophobicContact CB-CG1 4.47Å; V667-V683 HydrophobicContact CG1-CB 4.26Å; V667-V683 HydrophobicContact CG1-CG1 4.07Å; V667-V683 VanDerWaalsContact CG1-O 3.3Å; V667-V683 WeakPolarHBondContact CG1-O 3.46Å; V667-V683 HydrophobicContact CG2-CG1 4.26Å; V667-V713 HydrophobicContact CG2-CG1 3.94Å; V667-V713 HydrophobicContact CG2-CG2 4.09Å
668	G	91.9	Very high	88.3	Confident	37 Å²	37	66 Å²	66	38%	0.381	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-44.2	178.6	0	0	0	0	0	112	E664 E665 A672	E664-G668 WeakPolarHBondContact O-CA 3.37Å; E664-G668 PolarHBondContact O-N 2.94Å; E665-G668 PolarHBondContact O-N 3.15Å; G668-A672 PolarHBondContact O-N 2.84Å; G668-A672 VanDerWaalsContact O-N 3.1Å
669	H	92.8	Very high	89	Confident	65 Å²	65	61.2 Å²	61.2	30%	0.301	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-51.5	173.9	-174.8	-88	0	0	0	111.7	E665 F666 V667 R671 A672 E673 H733 Y734	E665-H669 WeakPolarHBondContact O-CB 3.39Å; E665-H669 PolarHBondContact O-N 3.33Å; F666-H669 PolarHBondContact O-N 3.49Å; V667-H669 VanDerWaalsContact C-N 3.34Å; V667-H669 PolarHBondContact O-N 2.83Å; H669-R671 VanDerWaalsContact C-N 3.34Å; H669-R671 PolarHBondContact O-N 3.49Å; H669-A672 WeakPolarHBondContact O-CB 3.35Å; H669-A672 PolarHBondContact O-N 2.89Å; H669-A672 VanDerWaalsContact O-N 3.13Å; H669-E673 WeakPolarHBondContact O-CG 3.46Å; H669-E673 PolarHBondContact O-N 3.24Å; H669-E673 VanDerWaalsContact O-N 3.09Å; H669-H733 AromaticContact CE1-CG 3.7Å; H669-H733 AromaticContact CE1-ND1 3.48Å; H669-H733 PolarHBondContact CE1-ND1 3.02Å; H669-Y734 AromaticContact ND1-CE2 3.74Å; H669-Y734 AromaticContact ND1-CZ 3.83Å; H669-Y734 PolarHBondContact ND1-OH 3.4Å
670	L	93.4	Very high	89.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-40.8	178.9	-72	-174.8	0	0	0	113	F666 V667 A672 E673 M674 V683 V713 I715 V730 Y734	F666-L670 HydrophobicContact CD1-CD1 3.88Å; F666-L670 HydrophobicContact CD1-CG 4.33Å; F666-L670 HydrophobicContact CE1-CD1 3.34Å; F666-L670 HydrophobicContact CE1-CG 4.02Å; F666-L670 HydrophobicContact CZ-CD1 4.03Å; F666-L670 HydrophobicContact CZ-CG 4.42Å; F666-L670 WeakPolarHBondContact O-CG 3.39Å; F666-L670 PolarHBondContact O-N 3.22Å; V667-L670 PolarHBondContact O-N 2.71Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 3.15Å; L670-E673 PolarHBondContact O-N 3.47Å; L670-M674 HydrophobicContact CB-CE 4.48Å; L670-M674 WeakPolarHBondContact O-CB 3.3Å; L670-M674 VanDerWaalsContact O-CG 3.23Å; L670-M674 WeakPolarHBondContact O-CG 3.41Å; L670-M674 PolarHBondContact O-N 2.63Å; L670-V683 HydrophobicContact CB-CG1 4.25Å; L670-V683 HydrophobicContact CD1-CG1 4.31Å; L670-V713 HydrophobicContact CD1-CG1 4.46Å; L670-I715 HydrophobicContact CD1-CD1 4.35Å; L670-V730 HydrophobicContact CD1-CG2 4.08Å; L670-V730 HydrophobicContact CD2-CG2 3.79Å; L670-Y734 HydrophobicContact CD2-CD2 4.36Å; L670-Y734 HydrophobicContact CD2-CE2 4.13Å
671	R	93.7	Very high	90	Very high	138 Å²	138	64.9 Å²	64.9	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.8	-74.3	177.4	-176.8	173.1	-0.1	111.8	V667 H669 K675 V683	V667-R671 HydrophobicContact CG1-CG 4.24Å; V667-R671 WeakPolarHBondContact O-CB 3.16Å; V667-R671 VanDerWaalsContact O-CG 3.3Å; V667-R671 WeakPolarHBondContact O-CG 3.22Å; V667-R671 PolarHBondContact O-N 3Å; H669-R671 VanDerWaalsContact C-N 3.34Å; H669-R671 PolarHBondContact O-N 3.49Å; R671-K675 WeakPolarHBondContact O-CB 3.4Å; R671-K675 PolarHBondContact O-N 2.76Å; R671-V683 HydrophobicContact CG-CB 3.84Å; R671-V683 HydrophobicContact CG-CG2 4.07Å; R671-V683 PolarHBondContact NE-O 2.7Å; R671-V683 PolarHBondContact NH2-O 3.15Å
672	A	92.5	Very high	90.6	Very high	56 Å²	56	65.1 Å²	65.1	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-48.8	179.5	0	0	0	0	0	111.4	G668 H669 L670 K675 A676	G668-A672 PolarHBondContact O-N 2.84Å; G668-A672 VanDerWaalsContact O-N 3.1Å; H669-A672 WeakPolarHBondContact O-CB 3.35Å; H669-A672 PolarHBondContact O-N 2.89Å; H669-A672 VanDerWaalsContact O-N 3.13Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 3.15Å; A672-K675 PolarHBondContact O-N 2.87Å; A672-A676 PolarHBondContact O-N 3.37Å
673	E	93	Very high	91	Very high	58 Å²	58	64.3 Å²	64.3	27%	0.271	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-43.4	-179.2	-61.2	-57	139.8	0	0	112	H669 L670 K675 A676 E677 I729 H733	H669-E673 WeakPolarHBondContact O-CG 3.46Å; H669-E673 PolarHBondContact O-N 3.24Å; H669-E673 VanDerWaalsContact O-N 3.09Å; L670-E673 PolarHBondContact O-N 3.47Å; E673-K675 VanDerWaalsContact C-N 3.29Å; E673-K675 PolarHBondContact O-N 2.83Å; E673-A676 WeakPolarHBondContact O-CB 3.25Å; E673-A676 PolarHBondContact O-N 3.05Å; E673-A676 VanDerWaalsContact O-N 3.14Å; E673-E677 PolarHBondContact O-N 2.75Å; E673-I729 HydrophobicContact CB-CG2 3.88Å; E673-H733 VanDerWaalsContact CG-CE1 3.45Å; E673-H733 WeakPolarHBondContact CG-CE1 3.41Å; E673-H733 WeakPolarHBondContact CG-NE2 3.33Å; E673-H733 IonicContact OE2-CE1 3.76Å; E673-H733 PolarHBondContact OE2-CE1 3.05Å; E673-H733 IonicContact OE2-NE2 2.64Å; E673-H733 PolarHBondContact OE2-NE2 2.98Å
674	M	91.6	Very high	91.3	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-39.5	174.5	-72.5	-179.3	-172.3	0	0	112.6	L670 E677 G678 V679 A681 V683 I715 A726 I729 V730	L670-M674 HydrophobicContact CB-CE 4.48Å; L670-M674 WeakPolarHBondContact O-CB 3.3Å; L670-M674 VanDerWaalsContact O-CG 3.23Å; L670-M674 WeakPolarHBondContact O-CG 3.41Å; L670-M674 PolarHBondContact O-N 2.63Å; M674-E677 PolarHBondContact O-N 2.79Å; M674-G678 PolarHBondContact O-N 3.08Å; M674-G678 VanDerWaalsContact O-N 3.16Å; M674-V679 HydrophobicContact CB-CB 4.33Å; M674-V679 PolarHBondContact O-N 3.05Å; M674-A681 HydrophobicContact SD-CB 4.24Å; M674-V683 HydrophobicContact CE-CG2 4.37Å; M674-V683 HydrophobicContact SD-CG2 3.64Å; M674-I715 HydrophobicContact CE-CD1 3.53Å; M674-I715 HydrophobicContact CE-CG1 4.05Å; M674-I715 HydrophobicContact CE-CG2 4.1Å; M674-I715 HydrophobicContact SD-CG2 4.22Å; M674-A726 HydrophobicContact CE-CB 3.65Å; M674-A726 HydrophobicContact SD-CB 4.28Å; M674-I729 HydrophobicContact CG-CD1 4.01Å; M674-I729 HydrophobicContact CG-CG2 4.29Å; M674-V730 HydrophobicContact CE-CG2 4.15Å
675	K	91.5	Very high	91.2	Very high	178 Å²	178	63.2 Å²	63.2	77%	0.774	35%	0.346	S	S	*	.	H	α-helix	trans	-67.5	-37.3	176.3	-174.9	178.2	179.4	-179.7	0	111.8	R671 A672 E673 G678	R671-K675 WeakPolarHBondContact O-CB 3.4Å; R671-K675 PolarHBondContact O-N 2.76Å; A672-K675 PolarHBondContact O-N 2.87Å; E673-K675 VanDerWaalsContact C-N 3.29Å; E673-K675 PolarHBondContact O-N 2.83Å; K675-G678 PolarHBondContact O-N 3.41Å
676	A	91.8	Very high	90.7	Very high	80 Å²	80	60 Å²	60	66%	0.661	33%	0.329	S	S	*	.	H	α-helix	trans	-64.9	-40	177.4	0	0	0	0	0	112	A672 E673 G678	A672-A676 PolarHBondContact O-N 3.37Å; E673-A676 WeakPolarHBondContact O-CB 3.25Å; E673-A676 PolarHBondContact O-N 3.05Å; E673-A676 VanDerWaalsContact O-N 3.14Å; A676-G678 VanDerWaalsContact C-N 3.27Å; A676-G678 PolarHBondContact O-N 3.49Å
677	E	90.6	Very high	89.9	Confident	138 Å²	138	64.7 Å²	64.7	65%	0.645	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	0.4	176.7	-66.2	-67	166.3	0	0	113.7	E673 M674 V679 I729	E673-E677 PolarHBondContact O-N 2.75Å; M674-E677 PolarHBondContact O-N 2.79Å; E677-V679 VanDerWaalsContact C-N 3.32Å; E677-V679 HydrophobicContact CB-CG2 4.42Å; E677-V679 PolarHBondContact O-N 2.82Å; E677-I729 HydrophobicContact CB-CD1 3.72Å; E677-I729 HydrophobicContact CG-CD1 3.93Å; E677-I729 HydrophobicContact CG-CG1 4.22Å
678	G	89.7	Confident	89.2	Confident	59 Å²	59	65.9 Å²	65.9	61%	0.608	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	15.6	178.3	0	0	0	0	0	115.3	M674 K675 A676	M674-G678 PolarHBondContact O-N 3.08Å; M674-G678 VanDerWaalsContact O-N 3.16Å; K675-G678 PolarHBondContact O-N 3.41Å; A676-G678 VanDerWaalsContact C-N 3.27Å; A676-G678 PolarHBondContact O-N 3.49Å
679	V	89.2	Confident	88.7	Confident	17 Å²	17	66.5 Å²	66.5	10%	0.103	36%	0.357	C	S	.	.			trans	-82.3	121.1	176.9	-179.1	0	0	0	0	110.1	M674 E677 A681 D722 A725 A726 I729	M674-V679 HydrophobicContact CB-CB 4.33Å; M674-V679 PolarHBondContact O-N 3.05Å; E677-V679 VanDerWaalsContact C-N 3.32Å; E677-V679 HydrophobicContact CB-CG2 4.42Å; E677-V679 PolarHBondContact O-N 2.82Å; V679-A681 PolarHBondContact O-N 3.26Å; V679-D722 HydrophobicContact CG1-CB 4.12Å; V679-A725 HydrophobicContact CG1-CB 4.47Å; V679-A725 HydrophobicContact CG2-CB 3.71Å; V679-A726 HydrophobicContact CG1-CB 4.5Å; V679-I729 HydrophobicContact CB-CD1 4.29Å; V679-I729 HydrophobicContact CG2-CD1 3.73Å
680	K	87.4	Confident	88.4	Confident	153 Å²	153	64.5 Å²	64.5	67%	0.665	35%	0.348	S	S	*	.			trans	-90.4	102.4	178.6	-63.2	-178.2	-176.6	179.5	0	110.2	E718	K680-E718 HydrophobicContact CB-CG 4.27Å; K680-E718 PolarHBondContact O-N 3.02Å
681	A	93	Very high	88.2	Confident	30 Å²	30	66.1 Å²	66.1	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.1	175.9	0	0	0	0	0	112.4	M674 V679 I715 V716 A717	M674-A681 HydrophobicContact SD-CB 4.24Å; V679-A681 PolarHBondContact O-N 3.26Å; A681-I715 HydrophobicContact CB-CG2 3.65Å; A681-V716 CarbonylContact C-O 3.47Å; A681-V716 WeakPolarHBondContact CA-O 3.49Å; A681-A717 HydrophobicContact CB-CB 4.05Å
682	E	92.6	Very high	87.8	Confident	99 Å²	99	60.9 Å²	60.9	46%	0.463	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.2	170.4	-68.1	169.4	-156.8	0	0	109.1	I715 V716 K775	E682-I715 CarbonylContact O-C 3.59Å; E682-I715 WeakPolarHBondContact O-CA 3.33Å; E682-V716 HydrophobicContact CB-CB 4.35Å; E682-V716 PolarHBondContact N-O 2.86Å; E682-V716 PolarHBondContact O-N 3.15Å; E682-K775 VanDerWaalsContact OE1-CE 3.26Å; E682-K775 WeakPolarHBondContact OE1-CE 3.11Å; E682-K775 IonicContact OE1-NZ 3.99Å; E682-K775 PolarHBondContact OE1-NZ 3.07Å; E682-K775 VanDerWaalsContact OE1-NZ 3.14Å
683	V	93.7	Very high	87.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.5	-179.3	-169.2	0	0	0	0	109	V667 L670 R671 M674 V713 R714 I715	V667-V683 HydrophobicContact CB-CG1 4.47Å; V667-V683 HydrophobicContact CG1-CB 4.26Å; V667-V683 HydrophobicContact CG1-CG1 4.07Å; V667-V683 VanDerWaalsContact CG1-O 3.3Å; V667-V683 WeakPolarHBondContact CG1-O 3.46Å; V667-V683 HydrophobicContact CG2-CG1 4.26Å; L670-V683 HydrophobicContact CB-CG1 4.25Å; L670-V683 HydrophobicContact CD1-CG1 4.31Å; R671-V683 HydrophobicContact CG-CB 3.84Å; R671-V683 HydrophobicContact CG-CG2 4.07Å; R671-V683 PolarHBondContact NE-O 2.7Å; R671-V683 PolarHBondContact NH2-O 3.15Å; M674-V683 HydrophobicContact CE-CG2 4.37Å; M674-V683 HydrophobicContact SD-CG2 3.64Å; V683-V713 HydrophobicContact CG1-CG1 3.77Å; V683-R714 CarbonylContact C-O 3.54Å; V683-R714 WeakPolarHBondContact CA-O 3.34Å; V683-I715 HydrophobicContact CB-CG1 4.41Å; V683-I715 HydrophobicContact CG1-CG1 3.86Å; V683-I715 HydrophobicContact CG2-CG1 4.04Å; V683-I715 HydrophobicContact CG2-CG2 4.31Å
684	Y	91.1	Very high	87.1	Confident	67 Å²	67	58 Å²	58	26%	0.263	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.5	178.9	54.6	-92	0	0	0	112.6	V713 R714 V716 H778	Y684-V713 WeakPolarHBondContact O-CA 3.35Å; Y684-R714 HydrophobicContact CD2-CB 4.42Å; Y684-R714 HydrophobicContact CE2-CB 4Å; Y684-R714 HydrophobicContact CE2-CG 4.39Å; Y684-R714 PolarHBondContact N-O 3.24Å; Y684-R714 PolarHBondContact O-N 3.08Å; Y684-R714 VanDerWaalsContact OH-CD 3.25Å; Y684-R714 WeakPolarHBondContact OH-CD 3.23Å; Y684-V716 HydrophobicContact CE1-CG2 3.98Å; Y684-H778 PolarHBondContact OH-CE1 2.74Å; Y684-H778 PolarHBondContact OH-ND1 2.68Å
685	G	85.1	Confident	86.8	Confident	30 Å²	30	62.6 Å²	62.6	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141	173.4	0	0	0	0	0	112.2	I663	I663-G685 VanDerWaalsContact CG2-CA 3.46Å
686	R	77.9	Confident	86.2	Confident	39 Å²	39	57.4 Å²	57.4	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.2	174.4	179.4	178.1	175.9	-158	-6.7	110.3	A712	R686-A712 HydrophobicContact CB-CB 4.48Å; R686-A712 PolarHBondContact N-O 3.09Å
687	P	73.9	Confident	85.8	Confident	100 Å²	100	54.2 Å²	54.2	65%	0.649	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-68.6	143.2	171.2	28.9	-33	0	0	0	110.6
688	K	77.2	Confident	85.5	Confident	34 Å²	34	53.1 Å²	53.1	15%	0.148	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-86.9	141.8	170.6	-73.7	-167.2	169.8	166.1	0	110.9	I693 D709 E769	K688-I693 HydrophobicContact CB-CD1 4Å; K688-I693 HydrophobicContact CB-CG1 3.95Å; K688-D709 WeakPolarHBondContact CD-O 3.27Å; K688-D709 WeakPolarHBondContact CE-O 3.28Å; K688-D709 PolarHBondContact NZ-O 2.93Å; K688-D709 IonicContact NZ-OD1 2.73Å; K688-D709 PolarHBondContact NZ-OD1 3.47Å; K688-D709 IonicContact NZ-OD2 3.61Å; K688-D709 PolarHBondContact NZ-OD2 3.06Å; K688-E769 IonicContact NZ-OE2 3.94Å; K688-E769 PolarHBondContact NZ-OE2 3.28Å
689	H	81.2	Confident	85.1	Confident	50 Å²	50	59.4 Å²	59.4	23%	0.231	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.2	145.6	175.3	-66.4	-79	0	0	0	111.6	W630 D634 Y691 S692 I693	W630-H689 HydrophobicContact CB-CB 4.26Å; W630-H689 WeakPolarHBondContact CB-CD2 3.31Å; W630-H689 VanDerWaalsContact CB-CG 3.47Å; W630-H689 WeakPolarHBondContact CB-NE2 3.47Å; W630-H689 AromaticContact CD1-CD2 3.94Å; W630-H689 AromaticContact CD2-CD2 3.48Å; W630-H689 VanDerWaalsContact CD2-CD2 3.48Å; W630-H689 AromaticContact CD2-NE2 3.44Å; W630-H689 AromaticContact CE3-CD2 3.8Å; W630-H689 AromaticContact CE3-NE2 3.25Å; W630-H689 AromaticContact CG-CD2 3.3Å; W630-H689 AromaticContact CG-CG 3.84Å; W630-H689 AromaticContact CG-NE2 3.56Å; D634-H689 WeakPolarHBondContact OD2-CB 3.43Å; D634-H689 IonicContact OD2-CG 3.81Å; D634-H689 IonicContact OD2-ND1 3.05Å; D634-H689 PolarHBondContact OD2-ND1 3.17Å; D634-H689 VanDerWaalsContact OD2-ND1 3.17Å; H689-Y691 VanDerWaalsContact C-N 3.34Å; H689-Y691 PolarHBondContact O-N 3.41Å; H689-S692 WeakPolarHBondContact O-CB 3.14Å; H689-S692 PolarHBondContact O-N 3.37Å; H689-S692 VanDerWaalsContact O-N 3.16Å; H689-I693 WeakPolarHBondContact O-CG1 3.49Å; H689-I693 PolarHBondContact O-N 3.43Å
690	I	87	Confident	84.5	Confident	22 Å²	22	63.9 Å²	63.9	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-44.7	-171.4	-66.8	172.4	0	0	0	110.1	D634 F637 Y645 I648 A649 L652 S692 I693 W694	D634-I690 PolarHBondContact OD1-N 3.34Å; D634-I690 PolarHBondContact OD2-N 2.82Å; F637-I690 HydrophobicContact CD1-CG2 3.91Å; F637-I690 HydrophobicContact CE1-CG2 3.86Å; Y645-I690 HydrophobicContact CD2-CB 4.44Å; Y645-I690 HydrophobicContact CD2-CD1 4.23Å; Y645-I690 HydrophobicContact CD2-CG2 3.88Å; Y645-I690 HydrophobicContact CE1-CD1 4.35Å; Y645-I690 HydrophobicContact CE2-CB 4.3Å; Y645-I690 HydrophobicContact CE2-CD1 3.55Å; Y645-I690 HydrophobicContact CE2-CG2 4.19Å; Y645-I690 HydrophobicContact CG-CG2 4.5Å; I648-I690 HydrophobicContact CB-CG2 4.05Å; I648-I690 HydrophobicContact CG2-CG2 3.87Å; A649-I690 HydrophobicContact CB-CD1 4.09Å; L652-I690 HydrophobicContact CD1-CG1 3.93Å; I690-S692 VanDerWaalsContact C-N 3.33Å; I690-S692 PolarHBondContact O-N 3.46Å; I690-I693 WeakPolarHBondContact O-CB 3.42Å; I690-I693 PolarHBondContact O-N 3.47Å; I690-W694 PolarHBondContact O-N 3.16Å
691	Y	88	Confident	84.1	Confident	35 Å²	35	63.7 Å²	63.7	14%	0.137	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-35.8	178.6	177.9	-111.1	0	0	0	112.7	E633 D634 F637 H689 I693 W694 R695	E633-Y691 HydrophobicContact CB-CD1 3.44Å; E633-Y691 VanDerWaalsContact CB-CD1 3.44Å; E633-Y691 HydrophobicContact CB-CE1 3.89Å; E633-Y691 HydrophobicContact CB-CG 4.05Å; E633-Y691 VanDerWaalsContact CD-CD1 3.42Å; E633-Y691 HydrophobicContact CG-CD1 3.63Å; E633-Y691 HydrophobicContact CG-CE1 3.59Å; E633-Y691 WeakPolarHBondContact OE1-CE1 3.28Å; E633-Y691 WeakPolarHBondContact OE2-CD1 3.47Å; D634-Y691 WeakPolarHBondContact OD1-CB 3.39Å; D634-Y691 PolarHBondContact OD1-N 3.26Å; F637-Y691 HydrophobicContact CB-CD2 3.78Å; F637-Y691 HydrophobicContact CB-CG 4.28Å; F637-Y691 HydrophobicContact CD1-CD2 4.36Å; F637-Y691 AromaticContact CD2-CD2 3.75Å; F637-Y691 HydrophobicContact CD2-CD2 3.75Å; F637-Y691 HydrophobicContact CD2-CE2 4.32Å; F637-Y691 HydrophobicContact CE2-CD2 4.44Å; F637-Y691 AromaticContact CG-CD2 3.72Å; F637-Y691 HydrophobicContact CG-CD2 3.72Å; F637-Y691 HydrophobicContact CG-CG 4.44Å; H689-Y691 VanDerWaalsContact C-N 3.34Å; H689-Y691 PolarHBondContact O-N 3.41Å; Y691-I693 VanDerWaalsContact C-N 3.32Å; Y691-I693 PolarHBondContact O-N 3.04Å; Y691-W694 AromaticContact CD2-CE3 3.86Å; Y691-W694 HydrophobicContact CD2-CE3 3.86Å; Y691-W694 HydrophobicContact CD2-CZ3 4.31Å; Y691-W694 AromaticContact CE2-CE3 3.68Å; Y691-W694 HydrophobicContact CE2-CE3 3.68Å; Y691-W694 AromaticContact CE2-CZ3 3.67Å; Y691-W694 HydrophobicContact CE2-CZ3 3.67Å; Y691-W694 PolarHBondContact O-N 2.92Å; Y691-R695 WeakPolarHBondContact O-CB 3.5Å; Y691-R695 PolarHBondContact O-N 2.99Å; Y691-R695 PolarHBondContact OH-NH2 3.28Å
692	S	84.9	Confident	83.3	Confident	28 Å²	28	64.6 Å²	64.6	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-37.3	174.5	-71.9	0	0	0	0	112.2	H689 I690 K696	H689-S692 WeakPolarHBondContact O-CB 3.14Å; H689-S692 PolarHBondContact O-N 3.37Å; H689-S692 VanDerWaalsContact O-N 3.16Å; I690-S692 VanDerWaalsContact C-N 3.33Å; I690-S692 PolarHBondContact O-N 3.46Å; S692-K696 WeakPolarHBondContact O-CG 3.39Å; S692-K696 PolarHBondContact O-N 3.39Å
693	I	83.8	Confident	82.3	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-50.5	174.1	-68.6	160.5	0	0	0	109.7	I648 L652 K688 H689 I690 Y691 R695 K696 M697 F704 L707 V710	I648-I693 HydrophobicContact CG2-CB 4.26Å; I648-I693 HydrophobicContact CG2-CG2 3.85Å; L652-I693 HydrophobicContact CD1-CD1 3.64Å; L652-I693 HydrophobicContact CD2-CD1 3.73Å; L652-I693 HydrophobicContact CG-CD1 4.07Å; K688-I693 HydrophobicContact CB-CD1 4Å; K688-I693 HydrophobicContact CB-CG1 3.95Å; H689-I693 WeakPolarHBondContact O-CG1 3.49Å; H689-I693 PolarHBondContact O-N 3.43Å; I690-I693 WeakPolarHBondContact O-CB 3.42Å; I690-I693 PolarHBondContact O-N 3.47Å; Y691-I693 VanDerWaalsContact C-N 3.32Å; Y691-I693 PolarHBondContact O-N 3.04Å; I693-R695 VanDerWaalsContact C-N 3.34Å; I693-R695 PolarHBondContact O-N 3.46Å; I693-K696 PolarHBondContact O-N 3.35Å; I693-K696 VanDerWaalsContact O-N 3.11Å; I693-M697 HydrophobicContact CG2-CG 4.47Å; I693-M697 HydrophobicContact CG2-SD 4.2Å; I693-M697 WeakPolarHBondContact O-CG 3.47Å; I693-M697 PolarHBondContact O-N 3.4Å; I693-F704 HydrophobicContact CG2-CD2 4.13Å; I693-F704 HydrophobicContact CG2-CE2 4.02Å; I693-L707 HydrophobicContact CG2-CD1 3.74Å; I693-V710 HydrophobicContact CD1-CG1 4.44Å
694	W	88.2	Confident	81.3	Confident	48 Å²	48	62.8 Å²	62.8	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-55.7	-47.1	177.4	179.3	77.2	0	0	0	112.1	F637 I648 I690 Y691 K696 M697 Q698	F637-W694 HydrophobicContact CD2-CD2 4.48Å; F637-W694 HydrophobicContact CD2-CE3 4.46Å; F637-W694 HydrophobicContact CE1-CB 3.94Å; F637-W694 HydrophobicContact CE1-CG 4.11Å; F637-W694 HydrophobicContact CE2-CB 4.33Å; F637-W694 AromaticContact CE2-CD2 3.56Å; F637-W694 HydrophobicContact CE2-CD2 3.56Å; F637-W694 AromaticContact CE2-CE2 3.8Å; F637-W694 AromaticContact CE2-CE3 3.94Å; F637-W694 HydrophobicContact CE2-CE3 3.94Å; F637-W694 AromaticContact CE2-CG 3.74Å; F637-W694 HydrophobicContact CE2-CG 3.74Å; F637-W694 HydrophobicContact CE2-CZ2 4.37Å; F637-W694 HydrophobicContact CE2-CZ3 4.49Å; F637-W694 HydrophobicContact CZ-CB 3.67Å; F637-W694 AromaticContact CZ-CD1 3.51Å; F637-W694 AromaticContact CZ-CD2 3.72Å; F637-W694 HydrophobicContact CZ-CD2 3.72Å; F637-W694 HydrophobicContact CZ-CE3 4.41Å; F637-W694 AromaticContact CZ-CG 3.33Å; F637-W694 HydrophobicContact CZ-CG 3.33Å; F637-W694 AromaticContact CZ-NE1 3.93Å; I648-W694 HydrophobicContact CD1-CB 3.5Å; I648-W694 VanDerWaalsContact CD1-CB 3.5Å; I648-W694 HydrophobicContact CD1-CG 4.06Å; I690-W694 PolarHBondContact O-N 3.16Å; Y691-W694 AromaticContact CD2-CE3 3.86Å; Y691-W694 HydrophobicContact CD2-CE3 3.86Å; Y691-W694 HydrophobicContact CD2-CZ3 4.31Å; Y691-W694 AromaticContact CE2-CE3 3.68Å; Y691-W694 HydrophobicContact CE2-CE3 3.68Å; Y691-W694 AromaticContact CE2-CZ3 3.67Å; Y691-W694 HydrophobicContact CE2-CZ3 3.67Å; Y691-W694 PolarHBondContact O-N 2.92Å; W694-K696 VanDerWaalsContact C-N 3.31Å; W694-K696 PolarHBondContact O-N 3.32Å; W694-M697 WeakPolarHBondContact O-CB 3.35Å; W694-M697 PolarHBondContact O-N 2.98Å; W694-M697 VanDerWaalsContact O-N 3.15Å; W694-Q698 HydrophobicContact CD2-CG 4.2Å; W694-Q698 HydrophobicContact CZ2-CG 4Å; W694-Q698 WeakPolarHBondContact O-CG 3.44Å; W694-Q698 PolarHBondContact O-N 2.9Å
695	R	85.2	Confident	80.1	Confident	101 Å²	101	64.4 Å²	64.4	38%	0.381	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-39.6	177.6	-168	-170.9	-64.7	177.5	-5	112	E633 Y691 I693 Q698 K699	E633-R695 IonicContact OE1-CZ 2.8Å; E633-R695 IonicContact OE1-NH1 3.68Å; E633-R695 IonicContact OE1-NH2 3.8Å; E633-R695 PolarHBondContact OE1-NH2 3.09Å; Y691-R695 WeakPolarHBondContact O-CB 3.5Å; Y691-R695 PolarHBondContact O-N 2.99Å; Y691-R695 PolarHBondContact OH-NH2 3.28Å; I693-R695 VanDerWaalsContact C-N 3.34Å; I693-R695 PolarHBondContact O-N 3.46Å; R695-Q698 PolarHBondContact O-N 3.47Å; R695-K699 VanDerWaalsContact O-CB 3.32Å; R695-K699 WeakPolarHBondContact O-CB 3.4Å; R695-K699 PolarHBondContact O-N 3.38Å
696	K	79.3	Confident	79.1	Confident	69 Å²	69	67.4 Å²	67.4	30%	0.3	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-38.9	175.5	-78.1	-173.7	172	-173.9	0	111.9	S692 I693 W694 K700 L707 D709 E769	S692-K696 WeakPolarHBondContact O-CG 3.39Å; S692-K696 PolarHBondContact O-N 3.39Å; I693-K696 PolarHBondContact O-N 3.35Å; I693-K696 VanDerWaalsContact O-N 3.11Å; W694-K696 VanDerWaalsContact C-N 3.31Å; W694-K696 PolarHBondContact O-N 3.32Å; K696-K700 WeakPolarHBondContact O-CB 3.27Å; K696-K700 PolarHBondContact O-N 3.48Å; K696-L707 HydrophobicContact CB-CD2 4Å; K696-D709 VanDerWaalsContact CD-OD2 3.23Å; K696-D709 WeakPolarHBondContact CD-OD2 3.07Å; K696-D709 WeakPolarHBondContact CE-OD2 3.15Å; K696-D709 IonicContact NZ-OD2 2.64Å; K696-D709 PolarHBondContact NZ-OD2 3.48Å; K696-E769 IonicContact NZ-OE2 3.32Å; K696-E769 PolarHBondContact NZ-OE2 3.38Å
697	M	83.4	Confident	78.4	Confident	13 Å²	13	66.4 Å²	66.4	6%	0.064	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-48.5	173.4	-65.9	177.9	65.1	0	0	111.2	I648 I693 W694 N701 L702 F704 L707	I648-M697 HydrophobicContact CD1-SD 4.08Å; I648-M697 HydrophobicContact CG1-SD 4.27Å; I693-M697 HydrophobicContact CG2-CG 4.47Å; I693-M697 HydrophobicContact CG2-SD 4.2Å; I693-M697 WeakPolarHBondContact O-CG 3.47Å; I693-M697 PolarHBondContact O-N 3.4Å; W694-M697 WeakPolarHBondContact O-CB 3.35Å; W694-M697 PolarHBondContact O-N 2.98Å; W694-M697 VanDerWaalsContact O-N 3.15Å; M697-N701 VanDerWaalsContact O-CA 3.28Å; M697-N701 WeakPolarHBondContact O-CA 3.23Å; M697-N701 PolarHBondContact O-N 3.31Å; M697-L702 PolarHBondContact O-N 2.95Å; M697-L702 VanDerWaalsContact O-N 3.13Å; M697-F704 HydrophobicContact CE-CB 3.97Å; M697-F704 HydrophobicContact SD-CB 4.29Å; M697-F704 HydrophobicContact SD-CD2 4.2Å; M697-L707 HydrophobicContact CG-CD1 3.23Å; M697-L707 HydrophobicContact CG-CG 4.17Å; M697-L707 HydrophobicContact SD-CD1 3.99Å
698	Q	84.7	Confident	77.8	Confident	116 Å²	116	67.6 Å²	67.6	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-48.9	179.8	-68.1	-63.8	-33.3	0	0	111.9	W694 R695 K700 N701	W694-Q698 HydrophobicContact CD2-CG 4.2Å; W694-Q698 HydrophobicContact CZ2-CG 4Å; W694-Q698 WeakPolarHBondContact O-CG 3.44Å; W694-Q698 PolarHBondContact O-N 2.9Å; R695-Q698 PolarHBondContact O-N 3.47Å; Q698-K700 PolarHBondContact O-N 3.23Å; Q698-N701 PolarHBondContact O-N 3.32Å
699	K	81	Confident	77	Confident	191 Å²	191	67 Å²	67	83%	0.83	32%	0.321	S	S	*	.	H	α-helix	trans	-64.5	-39.3	-177.2	-174.8	176.2	-179.6	178.7	0	113.2	R695	R695-K699 VanDerWaalsContact O-CB 3.32Å; R695-K699 WeakPolarHBondContact O-CB 3.4Å; R695-K699 PolarHBondContact O-N 3.38Å
700	K	76.7	Confident	76.4	Confident	111 Å²	111	65.3 Å²	65.3	48%	0.483	31%	0.314	S	S	.	.	H	α-helix	trans	-91.6	-4.8	-179.7	-64.6	-166.4	171.6	-166.7	0	113	K696 Q698 L702 E740	K696-K700 WeakPolarHBondContact O-CB 3.27Å; K696-K700 PolarHBondContact O-N 3.48Å; Q698-K700 PolarHBondContact O-N 3.23Å; K700-L702 HydrophobicContact CB-CB 4.38Å; K700-L702 HydrophobicContact CB-CD1 3.52Å; K700-L702 HydrophobicContact CB-CG 3.72Å; K700-L702 HydrophobicContact CD-CD1 3.86Å; K700-L702 HydrophobicContact CG-CD1 4.3Å; K700-L702 PolarHBondContact O-N 2.89Å; K700-E740 IonicContact NZ-OE1 3.5Å
701	N	78.4	Confident	76	Confident	149 Å²	149	65.9 Å²	65.9	80%	0.797	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.6	-172.6	-155.3	25.5	0	0	0	113.2	M697 Q698	M697-N701 VanDerWaalsContact O-CA 3.28Å; M697-N701 WeakPolarHBondContact O-CA 3.23Å; M697-N701 PolarHBondContact O-N 3.31Å; Q698-N701 PolarHBondContact O-N 3.32Å
702	L	75.3	Confident	75.8	Confident	49 Å²	49	64.3 Å²	64.3	26%	0.257	31%	0.309	S	S	.	.			trans	-106.3	143.2	-175.1	-70	171.9	0	0	0	111.1	M697 K700 E706	M697-L702 PolarHBondContact O-N 2.95Å; M697-L702 VanDerWaalsContact O-N 3.13Å; K700-L702 HydrophobicContact CB-CB 4.38Å; K700-L702 HydrophobicContact CB-CD1 3.52Å; K700-L702 HydrophobicContact CB-CG 3.72Å; K700-L702 HydrophobicContact CD-CD1 3.86Å; K700-L702 HydrophobicContact CG-CD1 4.3Å; K700-L702 PolarHBondContact O-N 2.89Å; L702-E706 HydrophobicContact CB-CB 4.15Å; L702-E706 HydrophobicContact CD2-CB 3.91Å; L702-E706 HydrophobicContact CG-CB 4.46Å
703	A	72.3	Confident	76.1	Confident	50 Å²	50	63.1 Å²	63.1	41%	0.413	30%	0.3	S	S	.	.			trans	-66.6	160.3	166.3	0	0	0	0	0	110.9	D705 E706 L707	A703-D705 PolarHBondContact O-N 3.44Å; A703-E706 HydrophobicContact CB-CG 4.31Å; A703-E706 WeakPolarHBondContact CB-OE2 3.44Å; A703-E706 PolarHBondContact N-OE2 2.91Å; A703-E706 PolarHBondContact O-N 3.22Å; A703-L707 PolarHBondContact O-N 3.48Å
704	F	72.2	Confident	76.6	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.057	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.4	-34.5	179.9	-177.7	-90.3	0	0	0	112.2	I648 L651 L652 I693 M697 E706 L707 V710	I648-F704 HydrophobicContact CG2-CE2 4.3Å; L651-F704 HydrophobicContact CB-CD1 3.76Å; L651-F704 HydrophobicContact CB-CD2 4.19Å; L651-F704 HydrophobicContact CB-CE1 3.65Å; L651-F704 HydrophobicContact CB-CE2 4.08Å; L651-F704 HydrophobicContact CB-CG 4.04Å; L651-F704 HydrophobicContact CB-CZ 3.81Å; L651-F704 HydrophobicContact CD1-CB 3.78Å; L651-F704 HydrophobicContact CD1-CD1 4.12Å; L651-F704 HydrophobicContact CD1-CD2 4.19Å; L651-F704 HydrophobicContact CD1-CG 3.77Å; L651-F704 HydrophobicContact CD2-CD1 4.45Å; L651-F704 HydrophobicContact CG-CD1 4.34Å; L651-F704 HydrophobicContact CG-CG 4.44Å; L652-F704 HydrophobicContact CD2-CE2 4.3Å; L652-F704 HydrophobicContact CD2-CZ 4.04Å; L652-F704 HydrophobicContact CG-CE2 4.17Å; L652-F704 HydrophobicContact CG-CZ 4.11Å; I693-F704 HydrophobicContact CG2-CD2 4.13Å; I693-F704 HydrophobicContact CG2-CE2 4.02Å; M697-F704 HydrophobicContact CE-CB 3.97Å; M697-F704 HydrophobicContact SD-CB 4.29Å; M697-F704 HydrophobicContact SD-CD2 4.2Å; F704-E706 VanDerWaalsContact C-N 3.25Å; F704-E706 PolarHBondContact O-N 3.09Å; F704-L707 HydrophobicContact CD2-CD1 4.38Å; F704-L707 WeakPolarHBondContact O-CB 3.22Å; F704-L707 PolarHBondContact O-N 3.37Å; F704-V710 HydrophobicContact CE2-CG2 4.49Å; F704-V710 HydrophobicContact CZ-CG2 4.39Å
705	D	66.3	Low	77	Confident	101 Å²	101	61 Å²	61	54%	0.54	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-70.3	-23.4	179.8	-67.9	-22.4	0	0	0	113.3	R655 A703	R655-D705 IonicContact CZ-OD1 3.15Å; R655-D705 IonicContact NE-OD1 2.91Å; R655-D705 IonicContact NH1-OD1 2.87Å; R655-D705 VanDerWaalsContact NH2-CG 3.26Å; R655-D705 IonicContact NH2-OD1 2.68Å; R655-D705 PolarHBondContact NH2-OD1 3.41Å; R655-D705 IonicContact NH2-OD2 2.77Å; A703-D705 PolarHBondContact O-N 3.44Å
706	E	63.6	Low	77.5	Confident	93 Å²	93	56.5 Å²	56.5	44%	0.435	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-89	-7	176.9	-57	174.8	120	0	0	112	L702 A703 F704 F708	L702-E706 HydrophobicContact CB-CB 4.15Å; L702-E706 HydrophobicContact CD2-CB 3.91Å; L702-E706 HydrophobicContact CG-CB 4.46Å; A703-E706 HydrophobicContact CB-CG 4.31Å; A703-E706 WeakPolarHBondContact CB-OE2 3.44Å; A703-E706 PolarHBondContact N-OE2 2.91Å; A703-E706 PolarHBondContact O-N 3.22Å; F704-E706 VanDerWaalsContact C-N 3.25Å; F704-E706 PolarHBondContact O-N 3.09Å; E706-F708 WeakPolarHBondContact O-CD2 3.46Å; E706-F708 WeakPolarHBondContact O-CE2 3.39Å; E706-F708 PolarHBondContact O-N 2.87Å
707	L	64.6	Low	78.2	Confident	18 Å²	18	53.2 Å²	53.2	9%	0.094	26%	0.261	C	S	.	.			trans	-72.1	86.7	168.9	-81.7	165.4	0	0	0	109.8	I693 K696 M697 A703 F704 D709 V710	I693-L707 HydrophobicContact CG2-CD1 3.74Å; K696-L707 HydrophobicContact CB-CD2 4Å; M697-L707 HydrophobicContact CG-CD1 3.23Å; M697-L707 HydrophobicContact CG-CG 4.17Å; M697-L707 HydrophobicContact SD-CD1 3.99Å; A703-L707 PolarHBondContact O-N 3.48Å; F704-L707 HydrophobicContact CD2-CD1 4.38Å; F704-L707 WeakPolarHBondContact O-CB 3.22Å; F704-L707 PolarHBondContact O-N 3.37Å; L707-D709 PolarHBondContact O-N 3.02Å; L707-V710 HydrophobicContact CB-CG2 3.99Å
708	F	61.2	Low	78.6	Confident	125 Å²	125	57.1 Å²	57.1	55%	0.548	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-41.4	-24.8	158.8	-72.1	-46.7	0	0	0	114.9	E706 R711 T767	E706-F708 WeakPolarHBondContact O-CD2 3.46Å; E706-F708 WeakPolarHBondContact O-CE2 3.39Å; E706-F708 PolarHBondContact O-N 2.87Å; F708-R711 PolarHBondContact O-NH2 3.26Å; F708-T767 WeakPolarHBondContact CA-OG1 3.17Å; F708-T767 HydrophobicContact CB-CG2 3.95Å; F708-T767 WeakPolarHBondContact CB-OG1 3.36Å; F708-T767 HydrophobicContact CD1-CG2 3.92Å; F708-T767 WeakPolarHBondContact CD1-OG1 3.49Å; F708-T767 HydrophobicContact CG-CG2 3.94Å; F708-T767 PolarHBondContact O-OG1 3.33Å
709	D	60.1	Low	78.9	Confident	22 Å²	22	58.4 Å²	58.4	12%	0.118	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-106	6.1	-153.6	-164.4	24.4	0	0	0	113.8	K688 K696 L707 R711 E769	K688-D709 WeakPolarHBondContact CD-O 3.27Å; K688-D709 WeakPolarHBondContact CE-O 3.28Å; K688-D709 PolarHBondContact NZ-O 2.93Å; K688-D709 IonicContact NZ-OD1 2.73Å; K688-D709 PolarHBondContact NZ-OD1 3.47Å; K688-D709 IonicContact NZ-OD2 3.61Å; K688-D709 PolarHBondContact NZ-OD2 3.06Å; K696-D709 VanDerWaalsContact CD-OD2 3.23Å; K696-D709 WeakPolarHBondContact CD-OD2 3.07Å; K696-D709 WeakPolarHBondContact CE-OD2 3.15Å; K696-D709 IonicContact NZ-OD2 2.64Å; K696-D709 PolarHBondContact NZ-OD2 3.48Å; L707-D709 PolarHBondContact O-N 3.02Å; D709-R711 PolarHBondContact O-N 3.23Å; D709-E769 WeakPolarHBondContact OD1-CB 3.26Å
710	V	68.9	Low	79.4	Confident	14 Å²	14	53 Å²	53	9%	0.085	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-70.5	-10.8	177.1	-163.5	0	0	0	0	111.9	L652 R659 I693 F704 L707	L652-V710 HydrophobicContact CD2-CG1 3.47Å; L652-V710 VanDerWaalsContact CD2-CG1 3.47Å; R659-V710 WeakPolarHBondContact CD-O 3.4Å; I693-V710 HydrophobicContact CD1-CG1 4.44Å; F704-V710 HydrophobicContact CE2-CG2 4.49Å; F704-V710 HydrophobicContact CZ-CG2 4.39Å; L707-V710 HydrophobicContact CB-CG2 3.99Å
711	R	77.9	Confident	80	Confident	34 Å²	34	54.7 Å²	54.7	13%	0.128	27%	0.269	C	S	.	.			trans	-99.8	106.7	176.2	-66.5	166.7	-66.2	-141.9	-0.8	110.5	R659 Y662 I663 F708 D709 K766 T767 E769	R659-R711 HydrophobicContact CG-CG 3.97Å; Y662-R711 HydrophobicContact CD1-CG 4.33Å; I663-R711 HydrophobicContact CD1-CG 4.44Å; I663-R711 HydrophobicContact CG1-CB 4.41Å; I663-R711 HydrophobicContact CG1-CG 4.3Å; F708-R711 PolarHBondContact O-NH2 3.26Å; D709-R711 PolarHBondContact O-N 3.23Å; R711-K766 VanDerWaalsContact NH1-CG 3.32Å; R711-T767 VanDerWaalsContact CZ-O 3.24Å; R711-T767 PolarHBondContact NE-O 3.34Å; R711-T767 PolarHBondContact NH2-O 2.96Å; R711-T767 PolarHBondContact NH2-OG1 3.03Å; R711-E769 PolarHBondContact O-N 3.35Å; R711-E769 VanDerWaalsContact O-N 3.09Å
712	A	84.6	Confident	80.8	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.5	172.5	0	0	0	0	0	110.7	R686 E769	R686-A712 HydrophobicContact CB-CB 4.48Å; R686-A712 PolarHBondContact N-O 3.09Å; A712-E769 CarbonylContact C-O 3.59Å; A712-E769 WeakPolarHBondContact CA-O 3.21Å
713	V	91.2	Very high	81.6	Confident	2 Å²	2	46 Å²	46	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.8	175.3	174.6	0	0	0	0	108.1	F666 V667 L670 V683 Y684 V768 E769 I770 Q771	F666-V713 HydrophobicContact CD1-CB 4.49Å; F666-V713 HydrophobicContact CD1-CG2 3.83Å; F666-V713 HydrophobicContact CE1-CG2 4.25Å; V667-V713 HydrophobicContact CG2-CG1 3.94Å; V667-V713 HydrophobicContact CG2-CG2 4.09Å; L670-V713 HydrophobicContact CD1-CG1 4.46Å; V683-V713 HydrophobicContact CG1-CG1 3.77Å; Y684-V713 WeakPolarHBondContact O-CA 3.35Å; V713-V768 HydrophobicContact CB-CG1 4.42Å; V713-V768 HydrophobicContact CG2-CG1 3.86Å; V713-E769 PolarHBondContact N-O 3.34Å; V713-I770 HydrophobicContact CB-CG1 4.4Å; V713-I770 CarbonylContact O-C 3.54Å; V713-I770 VanDerWaalsContact O-CA 3.31Å; V713-I770 WeakPolarHBondContact O-CA 3.35Å; V713-Q771 PolarHBondContact O-N 3.15Å
714	R	94	Very high	82.6	Confident	9 Å²	9	47.9 Å²	47.9	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.4	177.8	-176	173.6	-75.5	177.2	-18.3	109.8	V683 Y684 V716 Q771 R773 H778 E782	V683-R714 CarbonylContact C-O 3.54Å; V683-R714 WeakPolarHBondContact CA-O 3.34Å; Y684-R714 HydrophobicContact CD2-CB 4.42Å; Y684-R714 HydrophobicContact CE2-CB 4Å; Y684-R714 HydrophobicContact CE2-CG 4.39Å; Y684-R714 PolarHBondContact N-O 3.24Å; Y684-R714 PolarHBondContact O-N 3.08Å; Y684-R714 VanDerWaalsContact OH-CD 3.25Å; Y684-R714 WeakPolarHBondContact OH-CD 3.23Å; R714-V716 HydrophobicContact CG-CG2 3.97Å; R714-Q771 CarbonylContact C-O 3.57Å; R714-Q771 WeakPolarHBondContact CA-O 3.36Å; R714-R773 VanDerWaalsContact CZ-CZ 3.49Å; R714-H778 PolarHBondContact NH1-CE1 3.31Å; R714-E782 IonicContact CZ-OE1 2.64Å; R714-E782 IonicContact NH1-OE1 3.85Å; R714-E782 PolarHBondContact NH1-OE1 2.85Å; R714-E782 IonicContact NH2-OE1 3.11Å; R714-E782 PolarHBondContact NH2-OE1 3.36Å
715	I	96	Very high	83.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.5	174.5	-60.8	157.1	0	0	0	107.4	L670 M674 A681 E682 V683 A726 V730 I770 Q771 I772 R773	L670-I715 HydrophobicContact CD1-CD1 4.35Å; M674-I715 HydrophobicContact CE-CD1 3.53Å; M674-I715 HydrophobicContact CE-CG1 4.05Å; M674-I715 HydrophobicContact CE-CG2 4.1Å; M674-I715 HydrophobicContact SD-CG2 4.22Å; A681-I715 HydrophobicContact CB-CG2 3.65Å; E682-I715 CarbonylContact O-C 3.59Å; E682-I715 WeakPolarHBondContact O-CA 3.33Å; V683-I715 HydrophobicContact CB-CG1 4.41Å; V683-I715 HydrophobicContact CG1-CG1 3.86Å; V683-I715 HydrophobicContact CG2-CG1 4.04Å; V683-I715 HydrophobicContact CG2-CG2 4.31Å; I715-A726 HydrophobicContact CG2-CB 3.99Å; I715-V730 HydrophobicContact CD1-CG2 3.82Å; I715-I770 HydrophobicContact CD1-CG2 3.53Å; I715-I770 HydrophobicContact CG1-CG2 4.31Å; I715-Q771 PolarHBondContact N-O 3.25Å; I715-I772 HydrophobicContact CB-CB 4.42Å; I715-I772 HydrophobicContact CB-CG1 4.23Å; I715-I772 HydrophobicContact CB-CG2 4.09Å; I715-I772 HydrophobicContact CD1-CD1 3.93Å; I715-I772 HydrophobicContact CD1-CG1 3.81Å; I715-I772 HydrophobicContact CG2-CG2 4.05Å; I715-I772 WeakPolarHBondContact O-CA 3.35Å; I715-R773 PolarHBondContact O-N 3.05Å
716	V	95.5	Very high	84.9	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	105.3	176.7	-173	0	0	0	0	108.7	A681 E682 Y684 R714 R773 K775 H778	A681-V716 CarbonylContact C-O 3.47Å; A681-V716 WeakPolarHBondContact CA-O 3.49Å; E682-V716 HydrophobicContact CB-CB 4.35Å; E682-V716 PolarHBondContact N-O 2.86Å; E682-V716 PolarHBondContact O-N 3.15Å; Y684-V716 HydrophobicContact CE1-CG2 3.98Å; R714-V716 HydrophobicContact CG-CG2 3.97Å; V716-R773 CarbonylContact C-O 3.59Å; V716-R773 VanDerWaalsContact CA-O 3.3Å; V716-R773 WeakPolarHBondContact CA-O 3.5Å; V716-K775 HydrophobicContact CG1-CB 4.29Å; V716-K775 HydrophobicContact CG1-CG 3.65Å; V716-H778 HydrophobicContact CG1-CB 3.97Å; V716-H778 HydrophobicContact CG2-CB 4.27Å; V716-H778 WeakPolarHBondContact CG2-ND1 3.14Å
717	A	94.5	Very high	86.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	161.6	-177.8	0	0	0	0	0	112.1	A681 D722 R773 T774 K775	A681-A717 HydrophobicContact CB-CB 4.05Å; A717-D722 HydrophobicContact CB-CB 3.75Å; A717-R773 PolarHBondContact N-O 2.99Å; A717-T774 CarbonylContact O-C 3.55Å; A717-T774 WeakPolarHBondContact O-CA 3.47Å; A717-K775 PolarHBondContact O-N 2.79Å
718	E	90.8	Very high	87.7	Confident	96 Å²	96	41.5 Å²	41.5	45%	0.449	20%	0.203	S	C	.	.	S	Bend	trans	-71.9	-42.4	177.1	-69.9	-65.1	153.1	0	0	112	K680 K775	K680-E718 HydrophobicContact CB-CG 4.27Å; K680-E718 PolarHBondContact O-N 3.02Å; E718-K775 WeakPolarHBondContact OE1-CE 3.47Å; E718-K775 IonicContact OE1-NZ 3.87Å; E718-K775 PolarHBondContact OE1-NZ 3.25Å
719	R	91.7	Very high	89.2	Confident	143 Å²	143	36.3 Å²	36.3	54%	0.54	18%	0.18	S	C	.	.	S	Bend	trans	-130.1	160.7	-174.1	-57.6	170.2	-68.6	177.6	5.3	111.4	Q721 D722 C723	R719-Q721 VanDerWaalsContact C-N 3.27Å; R719-Q721 PolarHBondContact O-N 2.88Å; R719-D722 WeakPolarHBondContact CB-OD2 3.44Å; R719-D722 IonicContact CZ-OD1 3.54Å; R719-D722 IonicContact CZ-OD2 3.6Å; R719-D722 PolarHBondContact N-OD2 2.75Å; R719-D722 IonicContact NE-OD1 3.56Å; R719-D722 IonicContact NE-OD2 2.76Å; R719-D722 PolarHBondContact NE-OD2 3.26Å; R719-D722 IonicContact NH2-OD1 2.79Å; R719-D722 PolarHBondContact NH2-OD1 2.86Å; R719-D722 VanDerWaalsContact NH2-OD1 3.09Å; R719-D722 IonicContact NH2-OD2 3.61Å; R719-D722 PolarHBondContact NH2-OD2 3.36Å; R719-D722 WeakPolarHBondContact O-CB 3.18Å; R719-D722 PolarHBondContact O-N 2.8Å; R719-C723 PolarHBondContact O-N 3.01Å
720	L	91.4	Very high	90.8	Very high	78 Å²	78	35.3 Å²	35.3	41%	0.408	18%	0.175	S	C	.	.	H	α-helix	trans	-58	-39.6	176.4	180	57.8	0	0	0	112.6	D722 C723 Y724 V745 M777	L720-D722 VanDerWaalsContact C-N 3.26Å; L720-D722 PolarHBondContact O-N 3.2Å; L720-C723 VanDerWaalsContact O-CB 3.3Å; L720-C723 WeakPolarHBondContact O-CB 3.33Å; L720-C723 PolarHBondContact O-N 2.8Å; L720-C723 VanDerWaalsContact O-N 3.1Å; L720-Y724 HydrophobicContact CD1-CD2 4.12Å; L720-Y724 HydrophobicContact CD1-CE2 3.59Å; L720-Y724 HydrophobicContact CG-CD2 4.29Å; L720-Y724 HydrophobicContact CG-CE2 3.95Å; L720-Y724 WeakPolarHBondContact O-CD2 3.47Å; L720-Y724 PolarHBondContact O-N 3.44Å; L720-V745 HydrophobicContact CD1-CG1 3.54Å; L720-M777 HydrophobicContact CD1-CE 4.16Å
721	Q	90.3	Very high	92	Very high	146 Å²	146	37.2 Å²	37.2	68%	0.682	18%	0.183	S	C	*	.	H	α-helix	trans	-58.9	-40.2	175.3	-68.5	175.4	-11.2	0	0	111.7	R719 C723 Y724 A725	R719-Q721 VanDerWaalsContact C-N 3.27Å; R719-Q721 PolarHBondContact O-N 2.88Å; Q721-C723 VanDerWaalsContact C-N 3.27Å; Q721-C723 PolarHBondContact O-N 3.32Å; Q721-Y724 PolarHBondContact O-N 2.95Å; Q721-A725 WeakPolarHBondContact O-CB 3.42Å; Q721-A725 PolarHBondContact O-N 3.4Å
722	D	93.6	Very high	92.7	Very high	14 Å²	14	41.1 Å²	41.1	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-27	179.5	-56	-38.7	0	0	0	110.9	V679 A717 R719 L720 A726	V679-D722 HydrophobicContact CG1-CB 4.12Å; A717-D722 HydrophobicContact CB-CB 3.75Å; R719-D722 WeakPolarHBondContact CB-OD2 3.44Å; R719-D722 IonicContact CZ-OD1 3.54Å; R719-D722 IonicContact CZ-OD2 3.6Å; R719-D722 PolarHBondContact N-OD2 2.75Å; R719-D722 IonicContact NE-OD1 3.56Å; R719-D722 IonicContact NE-OD2 2.76Å; R719-D722 PolarHBondContact NE-OD2 3.26Å; R719-D722 IonicContact NH2-OD1 2.79Å; R719-D722 PolarHBondContact NH2-OD1 2.86Å; R719-D722 VanDerWaalsContact NH2-OD1 3.09Å; R719-D722 IonicContact NH2-OD2 3.61Å; R719-D722 PolarHBondContact NH2-OD2 3.36Å; R719-D722 WeakPolarHBondContact O-CB 3.18Å; R719-D722 PolarHBondContact O-N 2.8Å; L720-D722 VanDerWaalsContact C-N 3.26Å; L720-D722 PolarHBondContact O-N 3.2Å; D722-A726 VanDerWaalsContact O-CB 3.24Å; D722-A726 WeakPolarHBondContact O-CB 3.39Å; D722-A726 PolarHBondContact O-N 2.85Å
723	C	93.3	Very high	93	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-48.2	172.2	-59.5	0	0	0	0	112.4	R719 L720 Q721 A726 L727 I756 I772 T774	R719-C723 PolarHBondContact O-N 3.01Å; L720-C723 VanDerWaalsContact O-CB 3.3Å; L720-C723 WeakPolarHBondContact O-CB 3.33Å; L720-C723 PolarHBondContact O-N 2.8Å; L720-C723 VanDerWaalsContact O-N 3.1Å; Q721-C723 VanDerWaalsContact C-N 3.27Å; Q721-C723 PolarHBondContact O-N 3.32Å; C723-A726 PolarHBondContact O-N 2.88Å; C723-L727 PolarHBondContact O-N 2.83Å; C723-I756 HydrophobicContact CB-CD1 4.28Å; C723-I772 HydrophobicContact CB-CG2 3.87Å; C723-T774 VanDerWaalsContact SG-CG2 3.59Å
724	Y	93.8	Very high	93.1	Very high	90 Å²	90	45.4 Å²	45.4	35%	0.353	23%	0.229	S	C	.	.	H	α-helix	trans	-71.4	-31.9	178.3	-70.3	-78.8	0	0	0	112.1	L720 Q721 L727 G728 D743 I756	L720-Y724 HydrophobicContact CD1-CD2 4.12Å; L720-Y724 HydrophobicContact CD1-CE2 3.59Å; L720-Y724 HydrophobicContact CG-CD2 4.29Å; L720-Y724 HydrophobicContact CG-CE2 3.95Å; L720-Y724 WeakPolarHBondContact O-CD2 3.47Å; L720-Y724 PolarHBondContact O-N 3.44Å; Q721-Y724 PolarHBondContact O-N 2.95Å; Y724-L727 HydrophobicContact CD1-CD2 4.41Å; Y724-L727 WeakPolarHBondContact O-CB 3.27Å; Y724-L727 PolarHBondContact O-N 3.47Å; Y724-G728 PolarHBondContact O-N 3.13Å; Y724-D743 WeakPolarHBondContact CE1-OD2 3.17Å; Y724-D743 PolarHBondContact OH-OD2 2.94Å; Y724-I756 HydrophobicContact CD1-CD1 3.87Å; Y724-I756 HydrophobicContact CE1-CD1 3.8Å; Y724-I756 HydrophobicContact CG-CD1 4.33Å
725	A	91.7	Very high	93	Very high	39 Å²	39	54 Å²	54	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-46.5	170.3	0	0	0	0	0	111.2	V679 Q721 L727 G728 I729	V679-A725 HydrophobicContact CG1-CB 4.47Å; V679-A725 HydrophobicContact CG2-CB 3.71Å; Q721-A725 WeakPolarHBondContact O-CB 3.42Å; Q721-A725 PolarHBondContact O-N 3.4Å; A725-L727 VanDerWaalsContact C-N 3.33Å; A725-L727 PolarHBondContact O-N 3.41Å; A725-G728 PolarHBondContact O-N 3.19Å; A725-I729 WeakPolarHBondContact O-CG1 3.18Å; A725-I729 PolarHBondContact O-N 3.01Å
726	A	94.6	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-40.1	174.7	0	0	0	0	0	112.6	M674 V679 I715 D722 C723 I729 V730 I772	M674-A726 HydrophobicContact CE-CB 3.65Å; M674-A726 HydrophobicContact SD-CB 4.28Å; V679-A726 HydrophobicContact CG1-CB 4.5Å; I715-A726 HydrophobicContact CG2-CB 3.99Å; D722-A726 VanDerWaalsContact O-CB 3.24Å; D722-A726 WeakPolarHBondContact O-CB 3.39Å; D722-A726 PolarHBondContact O-N 2.85Å; C723-A726 PolarHBondContact O-N 2.88Å; A726-I729 PolarHBondContact O-N 3.27Å; A726-V730 WeakPolarHBondContact O-CB 3.38Å; A726-V730 VanDerWaalsContact O-CG2 3.23Å; A726-V730 WeakPolarHBondContact O-CG2 3.28Å; A726-V730 PolarHBondContact O-N 3.1Å; A726-I772 HydrophobicContact CB-CD1 4.4Å; A726-I772 HydrophobicContact CB-CG2 4.07Å
727	L	94.9	Very high	92.4	Very high	18 Å²	18	60 Å²	60	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-48.4	173.1	179.6	68	0	0	0	111.4	C723 Y724 A725 I729 V730 H731 F741 I756 T758 I772	C723-L727 PolarHBondContact O-N 2.83Å; Y724-L727 HydrophobicContact CD1-CD2 4.41Å; Y724-L727 WeakPolarHBondContact O-CB 3.27Å; Y724-L727 PolarHBondContact O-N 3.47Å; A725-L727 VanDerWaalsContact C-N 3.33Å; A725-L727 PolarHBondContact O-N 3.41Å; L727-I729 VanDerWaalsContact C-N 3.34Å; L727-I729 PolarHBondContact O-N 3.44Å; L727-V730 PolarHBondContact O-N 3.2Å; L727-H731 PolarHBondContact O-N 3.36Å; L727-F741 HydrophobicContact CD1-CD2 4.46Å; L727-F741 HydrophobicContact CD1-CE2 3.93Å; L727-F741 HydrophobicContact CD2-CE2 3.72Å; L727-F741 HydrophobicContact CD2-CZ 4.09Å; L727-F741 HydrophobicContact CG-CE2 4.45Å; L727-I756 HydrophobicContact CD1-CG2 3.9Å; L727-I756 HydrophobicContact CD2-CD1 4.42Å; L727-I756 HydrophobicContact CD2-CG2 4.11Å; L727-T758 HydrophobicContact CD1-CG2 3.97Å; L727-I772 HydrophobicContact CB-CD1 3.89Å; L727-I772 HydrophobicContact CD1-CD1 4.11Å
728	G	91.5	Very high	91.8	Very high	35 Å²	35	63.8 Å²	63.8	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-43.6	178.3	0	0	0	0	0	112.5	Y724 A725 H731 T732	Y724-G728 PolarHBondContact O-N 3.13Å; A725-G728 PolarHBondContact O-N 3.19Å; G728-H731 PolarHBondContact O-N 3.24Å; G728-T732 WeakPolarHBondContact O-CB 3.28Å; G728-T732 PolarHBondContact O-N 3.47Å; G728-T732 PolarHBondContact O-OG1 3.09Å
729	I	93.6	Very high	91.3	Very high	16 Å²	16	67 Å²	67	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-50.5	175.3	-65.5	168.9	0	0	0	110	E673 M674 E677 V679 A725 A726 L727 H731 T732 H733	E673-I729 HydrophobicContact CB-CG2 3.88Å; M674-I729 HydrophobicContact CG-CD1 4.01Å; M674-I729 HydrophobicContact CG-CG2 4.29Å; E677-I729 HydrophobicContact CB-CD1 3.72Å; E677-I729 HydrophobicContact CG-CD1 3.93Å; E677-I729 HydrophobicContact CG-CG1 4.22Å; V679-I729 HydrophobicContact CB-CD1 4.29Å; V679-I729 HydrophobicContact CG2-CD1 3.73Å; A725-I729 WeakPolarHBondContact O-CG1 3.18Å; A725-I729 PolarHBondContact O-N 3.01Å; A726-I729 PolarHBondContact O-N 3.27Å; L727-I729 VanDerWaalsContact C-N 3.34Å; L727-I729 PolarHBondContact O-N 3.44Å; I729-H731 VanDerWaalsContact C-N 3.34Å; I729-H731 PolarHBondContact O-N 3.5Å; I729-T732 WeakPolarHBondContact O-CB 3.37Å; I729-T732 PolarHBondContact O-N 2.85Å; I729-T732 VanDerWaalsContact O-N 3.13Å; I729-H733 PolarHBondContact O-CD2 3.47Å; I729-H733 PolarHBondContact O-N 3.17Å; I729-H733 VanDerWaalsContact O-N 3.13Å
730	V	93.9	Very high	91.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-54.7	-48	179.1	166	0	0	0	0	111.7	L670 M674 I715 A726 L727 T732 H733 Y734 T758 V760 I770	L670-V730 HydrophobicContact CD1-CG2 4.08Å; L670-V730 HydrophobicContact CD2-CG2 3.79Å; M674-V730 HydrophobicContact CE-CG2 4.15Å; I715-V730 HydrophobicContact CD1-CG2 3.82Å; A726-V730 WeakPolarHBondContact O-CB 3.38Å; A726-V730 VanDerWaalsContact O-CG2 3.23Å; A726-V730 WeakPolarHBondContact O-CG2 3.28Å; A726-V730 PolarHBondContact O-N 3.1Å; L727-V730 PolarHBondContact O-N 3.2Å; V730-T732 VanDerWaalsContact C-N 3.34Å; V730-T732 PolarHBondContact O-N 3.02Å; V730-H733 PolarHBondContact O-N 2.87Å; V730-Y734 PolarHBondContact O-N 3.46Å; V730-T758 HydrophobicContact CG1-CG2 4.28Å; V730-V760 HydrophobicContact CG1-CG1 3.78Å; V730-I770 HydrophobicContact CG1-CD1 3.39Å; V730-I770 HydrophobicContact CG2-CD1 4.32Å
731	H	93.7	Very high	91	Very high	55 Å²	55	64.5 Å²	64.5	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-71.8	-25.3	-179.7	-72.1	-176.1	0	0	0	113.9	L727 G728 I729 Y734 T758	L727-H731 PolarHBondContact O-N 3.36Å; G728-H731 PolarHBondContact O-N 3.24Å; I729-H731 VanDerWaalsContact C-N 3.34Å; I729-H731 PolarHBondContact O-N 3.5Å; H731-Y734 WeakPolarHBondContact CA-O 3.39Å; H731-T758 PolarHBondContact NE2-OG1 3.47Å
732	T	92.3	Very high	91.1	Very high	116 Å²	116	61.1 Å²	61.1	71%	0.712	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-40.7	174.7	-60.4	0	0	0	0	111.1	G728 I729 V730	G728-T732 WeakPolarHBondContact O-CB 3.28Å; G728-T732 PolarHBondContact O-N 3.47Å; G728-T732 PolarHBondContact O-OG1 3.09Å; I729-T732 WeakPolarHBondContact O-CB 3.37Å; I729-T732 PolarHBondContact O-N 2.85Å; I729-T732 VanDerWaalsContact O-N 3.13Å; V730-T732 VanDerWaalsContact C-N 3.34Å; V730-T732 PolarHBondContact O-N 3.02Å
733	H	91.4	Very high	91.1	Very high	71 Å²	71	62 Å²	62	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-87	-32.4	-178.4	-70.2	-79.6	0	0	0	113.6	H669 E673 I729 V730	H669-H733 AromaticContact CE1-CG 3.7Å; H669-H733 AromaticContact CE1-ND1 3.48Å; H669-H733 PolarHBondContact CE1-ND1 3.02Å; E673-H733 VanDerWaalsContact CG-CE1 3.45Å; E673-H733 WeakPolarHBondContact CG-CE1 3.41Å; E673-H733 WeakPolarHBondContact CG-NE2 3.33Å; E673-H733 IonicContact OE2-CE1 3.76Å; E673-H733 PolarHBondContact OE2-CE1 3.05Å; E673-H733 IonicContact OE2-NE2 2.64Å; E673-H733 PolarHBondContact OE2-NE2 2.98Å; I729-H733 PolarHBondContact O-CD2 3.47Å; I729-H733 PolarHBondContact O-N 3.17Å; I729-H733 VanDerWaalsContact O-N 3.13Å; V730-H733 PolarHBondContact O-N 2.87Å
734	Y	93.2	Very high	91	Very high	23 Å²	23	64.1 Å²	64.1	9%	0.09	33%	0.326	C	S	.	.	S	Bend	trans	-130.6	124.4	-176.8	-59.8	-69	0	0	0	110.5	F666 H669 L670 V730 H731 H736 V760 L761 P763	F666-Y734 HydrophobicContact CD2-CE1 4.49Å; F666-Y734 AromaticContact CD2-CE2 3.97Å; F666-Y734 HydrophobicContact CD2-CE2 3.97Å; F666-Y734 AromaticContact CD2-CZ 3.94Å; F666-Y734 HydrophobicContact CE2-CD1 4.21Å; F666-Y734 AromaticContact CE2-CD2 3.5Å; F666-Y734 HydrophobicContact CE2-CD2 3.5Å; F666-Y734 VanDerWaalsContact CE2-CD2 3.5Å; F666-Y734 HydrophobicContact CE2-CE1 4.08Å; F666-Y734 AromaticContact CE2-CE2 3.34Å; F666-Y734 HydrophobicContact CE2-CE2 3.34Å; F666-Y734 AromaticContact CE2-CG 3.92Å; F666-Y734 HydrophobicContact CE2-CG 3.92Å; F666-Y734 AromaticContact CE2-CZ 3.65Å; F666-Y734 AromaticContact CZ-CD2 3.74Å; F666-Y734 HydrophobicContact CZ-CD2 3.74Å; F666-Y734 AromaticContact CZ-CE2 3.83Å; F666-Y734 HydrophobicContact CZ-CE2 3.83Å; F666-Y734 HydrophobicContact CZ-CG 4.39Å; H669-Y734 AromaticContact ND1-CE2 3.74Å; H669-Y734 AromaticContact ND1-CZ 3.83Å; H669-Y734 PolarHBondContact ND1-OH 3.4Å; L670-Y734 HydrophobicContact CD2-CD2 4.36Å; L670-Y734 HydrophobicContact CD2-CE2 4.13Å; V730-Y734 PolarHBondContact O-N 3.46Å; H731-Y734 WeakPolarHBondContact CA-O 3.39Å; Y734-H736 PolarHBondContact O-N 2.64Å; Y734-V760 HydrophobicContact CG-CG2 4.33Å; Y734-L761 WeakPolarHBondContact CD1-O 3.35Å; Y734-P763 VanDerWaalsContact CE1-CD 3.45Å; Y734-P763 HydrophobicContact CE1-CG 3.84Å
735	R	91.4	Very high	90.8	Very high	190 Å²	190	60.6 Å²	60.6	72%	0.717	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-60.1	122	178	-176.3	179.5	178	-174.8	0.3	109.5	V760 L761	R735-V760 WeakPolarHBondContact O-CA 3.38Å; R735-L761 PolarHBondContact O-N 3.03Å
736	H	91.7	Very high	90.7	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.366	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	149	172.8	78.5	90.8	0	0	0	111	Y734 V760	Y734-H736 PolarHBondContact O-N 2.64Å; H736-V760 HydrophobicContact CB-CG1 4.29Å
737	L	87.1	Confident	90.3	Very high	50 Å²	50	67.6 Å²	67.6	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.2	169.1	-74.4	171.1	0	0	0	109.3	E740 V759 L761 T767	L737-E740 HydrophobicContact CB-CB 4.19Å; L737-E740 HydrophobicContact CB-CG 4.4Å; L737-V759 HydrophobicContact CD1-CB 4.43Å; L737-V759 HydrophobicContact CD1-CG1 3.84Å; L737-V759 PolarHBondContact N-O 3.33Å; L737-L761 HydrophobicContact CD1-CD2 4.48Å; L737-L761 HydrophobicContact CD2-CD1 4.19Å; L737-L761 HydrophobicContact CD2-CD2 4.23Å; L737-L761 HydrophobicContact CD2-CG 4.1Å; L737-L761 HydrophobicContact CG-CD2 4.46Å; L737-L761 HydrophobicContact CG-CG 4.28Å; L737-T767 HydrophobicContact CD1-CG2 3.89Å
738	P	81.6	Confident	89.8	Confident	81 Å²	81	69.9 Å²	69.9	53%	0.526	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	149	167.9	-22.8	34	0	0	0	110.9	E740	P738-E740 PolarHBondContact O-N 3.11Å
739	D	81.8	Confident	89.3	Confident	164 Å²	164	71.9 Å²	71.9	88%	0.877	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	63.5	-2	178.3	-49.1	-42.3	0	0	0	116.9
740	E	85.8	Confident	88.2	Confident	84 Å²	84	76.7 Å²	76.7	39%	0.393	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	40.2	176.6	-63.4	-81.3	-178	0	0	110.6	K700 L737 P738 T758 V759	K700-E740 IonicContact NZ-OE1 3.5Å; L737-E740 HydrophobicContact CB-CB 4.19Å; L737-E740 HydrophobicContact CB-CG 4.4Å; P738-E740 PolarHBondContact O-N 3.11Å; E740-T758 CarbonylContact O-C 3.41Å; E740-T758 WeakPolarHBondContact O-CA 3.25Å; E740-V759 HydrophobicContact CB-CB 3.73Å; E740-V759 HydrophobicContact CB-CG2 3.76Å; E740-V759 HydrophobicContact CG-CG2 4.45Å; E740-V759 PolarHBondContact O-N 2.58Å
741	F	90.4	Very high	87	Confident	84 Å²	84	78.2 Å²	78.2	37%	0.368	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.6	173.8	171.4	-96.7	0	0	0	110	L727 D743 I756 H757	L727-F741 HydrophobicContact CD1-CD2 4.46Å; L727-F741 HydrophobicContact CD1-CE2 3.93Å; L727-F741 HydrophobicContact CD2-CE2 3.72Å; L727-F741 HydrophobicContact CD2-CZ 4.09Å; L727-F741 HydrophobicContact CG-CE2 4.45Å; F741-D743 HydrophobicContact CE1-CB 4.37Å; F741-D743 HydrophobicContact CZ-CB 4.22Å; F741-I756 HydrophobicContact CD2-CG2 4.38Å; F741-I756 HydrophobicContact CE2-CG2 3.57Å; F741-I756 HydrophobicContact CZ-CG2 4.23Å; F741-H757 WeakPolarHBondContact CA-O 3.1Å
742	D	91.8	Very high	86.1	Confident	74 Å²	74	77 Å²	77	40%	0.396	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.3	176.5	-72	-43.1	0	0	0	110.4	Y744 H757	D742-Y744 HydrophobicContact CB-CD2 4.13Å; D742-Y744 HydrophobicContact CB-CE1 4Å; D742-Y744 HydrophobicContact CB-CE2 3.53Å; D742-Y744 VanDerWaalsContact CB-CZ 3.44Å; D742-Y744 PolarHBondContact OD2-OH 3.4Å; D742-H757 HydrophobicContact CB-CB 4.26Å; D742-H757 PolarHBondContact N-O 2.96Å; D742-H757 PolarHBondContact O-N 3.02Å
743	D	93.2	Very high	85.7	Confident	34 Å²	34	72.9 Å²	72.9	18%	0.182	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	85	174	-169.2	-15.4	0	0	0	111.2	Y724 F741 V745 A746 N747	Y724-D743 WeakPolarHBondContact CE1-OD2 3.17Å; Y724-D743 PolarHBondContact OH-OD2 2.94Å; F741-D743 HydrophobicContact CE1-CB 4.37Å; F741-D743 HydrophobicContact CZ-CB 4.22Å; D743-V745 PolarHBondContact O-N 2.87Å; D743-V745 WeakPolarHBondContact OD1-CA 3.47Å; D743-V745 VanDerWaalsContact OD1-CB 3.29Å; D743-V745 WeakPolarHBondContact OD1-CB 3.39Å; D743-V745 PolarHBondContact OD1-N 3Å; D743-A746 HydrophobicContact CB-CB 4.43Å; D743-A746 PolarHBondContact O-N 3.29Å; D743-A746 PolarHBondContact OD1-N 2.85Å; D743-N747 PolarHBondContact O-N 3.3Å; D743-N747 VanDerWaalsContact O-N 3.13Å
744	Y	92.7	Very high	85.6	Confident	44 Å²	44	72 Å²	72	17%	0.173	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.1	174.2	-51.8	-65.1	0	0	0	113	D742 N747 P748 K749 Y753 Q754 S755 H757	D742-Y744 HydrophobicContact CB-CD2 4.13Å; D742-Y744 HydrophobicContact CB-CE1 4Å; D742-Y744 HydrophobicContact CB-CE2 3.53Å; D742-Y744 VanDerWaalsContact CB-CZ 3.44Å; D742-Y744 PolarHBondContact OD2-OH 3.4Å; Y744-N747 WeakPolarHBondContact CA-O 3.25Å; Y744-N747 CarbonylContact O-C 3.44Å; Y744-P748 VanDerWaalsContact O-CA 3.24Å; Y744-P748 WeakPolarHBondContact O-CA 3.34Å; Y744-K749 HydrophobicContact CD1-CD 4.35Å; Y744-K749 VanDerWaalsContact CD1-CE 3.46Å; Y744-K749 HydrophobicContact CD1-CG 3.83Å; Y744-K749 HydrophobicContact CE1-CD 4.34Å; Y744-K749 HydrophobicContact CE1-CG 4.19Å; Y744-K749 HydrophobicContact CG-CG 4.26Å; Y744-K749 PolarHBondContact OH-NZ 3.36Å; Y744-Y753 HydrophobicContact CD2-CD1 4.25Å; Y744-Y753 AromaticContact CD2-CE1 3.89Å; Y744-Y753 HydrophobicContact CD2-CE1 3.89Å; Y744-Y753 HydrophobicContact CG-CD1 4.37Å; Y744-Y753 HydrophobicContact CG-CE1 4.43Å; Y744-Q754 WeakPolarHBondContact O-CA 3.33Å; Y744-S755 WeakPolarHBondContact CA-O 3.49Å; Y744-S755 WeakPolarHBondContact CB-O 3.27Å; Y744-S755 WeakPolarHBondContact CD2-O 3.21Å; Y744-S755 PolarHBondContact N-O 3.33Å; Y744-H757 AromaticContact CD2-CD2 3.93Å; Y744-H757 HydrophobicContact CE2-CB 4.27Å; Y744-H757 AromaticContact CE2-CE1 4Å; Y744-H757 AromaticContact CE2-CG 3.76Å; Y744-H757 AromaticContact CE2-ND1 3.68Å
745	V	89.6	Confident	85.7	Confident	15 Å²	15	70.9 Å²	70.9	9%	0.091	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-44.9	170.5	-178.3	0	0	0	0	109.5	L720 D743 I756 M777	L720-V745 HydrophobicContact CD1-CG1 3.54Å; D743-V745 PolarHBondContact O-N 2.87Å; D743-V745 WeakPolarHBondContact OD1-CA 3.47Å; D743-V745 VanDerWaalsContact OD1-CB 3.29Å; D743-V745 WeakPolarHBondContact OD1-CB 3.39Å; D743-V745 PolarHBondContact OD1-N 3Å; V745-I756 HydrophobicContact CG2-CG1 3.9Å; V745-M777 HydrophobicContact CG1-CE 3.54Å; V745-M777 HydrophobicContact CG1-SD 4.26Å; V745-M777 HydrophobicContact CG2-CE 4.32Å; V745-M777 HydrophobicContact CG2-SD 3.94Å
746	A	88.4	Confident	85.9	Confident	61 Å²	61	61.8 Å²	61.8	50%	0.504	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.6	173.2	0	0	0	0	0	112.4	D743 P748	D743-A746 HydrophobicContact CB-CB 4.43Å; D743-A746 PolarHBondContact O-N 3.29Å; D743-A746 PolarHBondContact OD1-N 2.85Å; A746-P748 WeakPolarHBondContact O-CD 3.41Å
747	N	87	Confident	86	Confident	126 Å²	126	59.4 Å²	59.4	67%	0.674	33%	0.33	S	S	*	.	S	Bend	trans	-123	80.9	178	-66.4	-57	0	0	0	111.3	D743 Y744	D743-N747 PolarHBondContact O-N 3.3Å; D743-N747 VanDerWaalsContact O-N 3.13Å; Y744-N747 WeakPolarHBondContact CA-O 3.25Å; Y744-N747 CarbonylContact O-C 3.44Å
748	P	83.1	Confident	86.3	Confident	66 Å²	66	57 Å²	57	43%	0.429	32%	0.318	S	S	.	.			trans	-55.8	140.2	179.6	-23.6	33.7	0	0	0	112.1	Y744 A746 Q754	Y744-P748 VanDerWaalsContact O-CA 3.24Å; Y744-P748 WeakPolarHBondContact O-CA 3.34Å; A746-P748 WeakPolarHBondContact O-CD 3.41Å; P748-Q754 HydrophobicContact CB-CG 3.84Å; P748-Q754 HydrophobicContact CG-CG 3.9Å
749	K	81.8	Confident	86.8	Confident	76 Å²	76	54 Å²	54	33%	0.33	30%	0.297	S	S	.	.			trans	-67	159.8	173.8	-61.1	-171.5	174.2	-177.5	0	110.4	Y744 N751 G752 Y753	Y744-K749 HydrophobicContact CD1-CD 4.35Å; Y744-K749 VanDerWaalsContact CD1-CE 3.46Å; Y744-K749 HydrophobicContact CD1-CG 3.83Å; Y744-K749 HydrophobicContact CE1-CD 4.34Å; Y744-K749 HydrophobicContact CE1-CG 4.19Å; Y744-K749 HydrophobicContact CG-CG 4.26Å; Y744-K749 PolarHBondContact OH-NZ 3.36Å; K749-N751 WeakPolarHBondContact CB-OD1 3.33Å; K749-N751 PolarHBondContact O-N 3.42Å; K749-G752 WeakPolarHBondContact O-CA 3.17Å; K749-G752 PolarHBondContact O-N 2.92Å; K749-Y753 HydrophobicContact CD-CD1 3.88Å; K749-Y753 HydrophobicContact CD-CG 4.4Å; K749-Y753 HydrophobicContact CG-CD1 4.18Å; K749-Y753 PolarHBondContact N-O 3.35Å
750	P	70	Confident	87.3	Confident	117 Å²	117	46.1 Å²	46.1	76%	0.76	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.4	-178.4	-29	36	0	0	0	115.2	G752 K813	P750-G752 PolarHBondContact O-N 3.4Å; P750-K813 WeakPolarHBondContact O-CE 3.37Å
751	N	69.8	Low	87.5	Confident	32 Å²	32	45 Å²	45	17%	0.171	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.2	176.3	66.6	-11.3	0	0	0	114	N621 R622 K749 Y753 K813	N621-N751 WeakPolarHBondContact O-CB 3.21Å; N621-N751 PolarHBondContact O-ND2 2.92Å; R622-N751 WeakPolarHBondContact O-CB 3.39Å; K749-N751 WeakPolarHBondContact CB-OD1 3.33Å; K749-N751 PolarHBondContact O-N 3.42Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.48Å; N751-Y753 PolarHBondContact OD1-N 3.38Å; N751-Y753 VanDerWaalsContact OD1-N 3.13Å; N751-K813 PolarHBondContact O-NZ 3.47Å
752	G	73.6	Confident	87.3	Confident	30 Å²	30	41.3 Å²	41.3	31%	0.309	24%	0.238	S	C	.	.			trans	92.7	1.7	-176	0	0	0	0	0	113.9	K749 P750 Q754	K749-G752 WeakPolarHBondContact O-CA 3.17Å; K749-G752 PolarHBondContact O-N 2.92Å; P750-G752 PolarHBondContact O-N 3.4Å; G752-Q754 PolarHBondContact O-N 3.22Å
753	Y	84.3	Confident	86.9	Confident	30 Å²	30	40.2 Å²	40.2	12%	0.118	24%	0.235	C	C	.	.			trans	-62.7	124.5	-178.9	178.9	-93.7	0	0	0	112	Y744 K749 N751 S755 H757 A781	Y744-Y753 HydrophobicContact CD2-CD1 4.25Å; Y744-Y753 AromaticContact CD2-CE1 3.89Å; Y744-Y753 HydrophobicContact CD2-CE1 3.89Å; Y744-Y753 HydrophobicContact CG-CD1 4.37Å; Y744-Y753 HydrophobicContact CG-CE1 4.43Å; K749-Y753 HydrophobicContact CD-CD1 3.88Å; K749-Y753 HydrophobicContact CD-CG 4.4Å; K749-Y753 HydrophobicContact CG-CD1 4.18Å; K749-Y753 PolarHBondContact N-O 3.35Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.48Å; N751-Y753 PolarHBondContact OD1-N 3.38Å; N751-Y753 VanDerWaalsContact OD1-N 3.13Å; Y753-S755 WeakPolarHBondContact OH-CB 3.37Å; Y753-H757 AromaticContact CE1-CE1 3.95Å; Y753-H757 AromaticContact CE1-NE2 3.44Å; Y753-H757 WeakPolarHBondContact CE1-NE2 3.41Å; Y753-H757 AromaticContact CZ-NE2 3.45Å; Y753-H757 PolarHBondContact OH-CE1 3.27Å; Y753-H757 PolarHBondContact OH-NE2 3.26Å; Y753-A781 HydrophobicContact CD2-CB 3.63Å; Y753-A781 HydrophobicContact CE2-CB 3.72Å
754	Q	89.3	Confident	86.2	Confident	51 Å²	51	42.3 Å²	42.3	24%	0.238	26%	0.264	C	S	.	.			trans	-125.6	124.3	176.2	-65.8	-177.6	-67.1	0	0	110.8	Y744 P748 G752 M777	Y744-Q754 WeakPolarHBondContact O-CA 3.33Å; P748-Q754 HydrophobicContact CB-CG 3.84Å; P748-Q754 HydrophobicContact CG-CG 3.9Å; G752-Q754 PolarHBondContact O-N 3.22Å; Q754-M777 HydrophobicContact CB-CB 4.32Å; Q754-M777 HydrophobicContact CB-CG 3.85Å; Q754-M777 HydrophobicContact CB-SD 4.09Å
755	S	94.4	Very high	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	29%	0.285	C	S	.	.			trans	-172.1	147.9	171.9	-166.7	0	0	0	0	109.3	Y744 Y753 I772	Y744-S755 WeakPolarHBondContact CA-O 3.49Å; Y744-S755 WeakPolarHBondContact CB-O 3.27Å; Y744-S755 WeakPolarHBondContact CD2-O 3.21Å; Y744-S755 PolarHBondContact N-O 3.33Å; Y753-S755 WeakPolarHBondContact OH-CB 3.37Å; S755-I772 CarbonylContact C-O 3.55Å; S755-I772 WeakPolarHBondContact CA-O 3.41Å; S755-I772 PolarHBondContact OG-N 2.9Å; S755-I772 PolarHBondContact OG-O 3.45Å
756	I	95.5	Very high	85.2	Confident	0 Å²	0	47 Å²	47	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.8	165.1	-56.2	167.8	0	0	0	107.7	C723 Y724 L727 F741 V745 Q771 I772	C723-I756 HydrophobicContact CB-CD1 4.28Å; Y724-I756 HydrophobicContact CD1-CD1 3.87Å; Y724-I756 HydrophobicContact CE1-CD1 3.8Å; Y724-I756 HydrophobicContact CG-CD1 4.33Å; L727-I756 HydrophobicContact CD1-CG2 3.9Å; L727-I756 HydrophobicContact CD2-CD1 4.42Å; L727-I756 HydrophobicContact CD2-CG2 4.11Å; F741-I756 HydrophobicContact CD2-CG2 4.38Å; F741-I756 HydrophobicContact CE2-CG2 3.57Å; F741-I756 HydrophobicContact CZ-CG2 4.23Å; V745-I756 HydrophobicContact CG2-CG1 3.9Å; I756-Q771 CarbonylContact O-C 3.56Å; I756-Q771 WeakPolarHBondContact O-CA 3.33Å; I756-I772 HydrophobicContact CB-CB 4.22Å; I756-I772 PolarHBondContact N-O 3.13Å; I756-I772 PolarHBondContact O-N 3.11Å
757	H	94.2	Very high	85.1	Confident	28 Å²	28	44.7 Å²	44.7	13%	0.13	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.6	174.7	-73.9	-154.2	0	0	0	108.5	F741 D742 Y744 Y753 I770	F741-H757 WeakPolarHBondContact CA-O 3.1Å; D742-H757 HydrophobicContact CB-CB 4.26Å; D742-H757 PolarHBondContact N-O 2.96Å; D742-H757 PolarHBondContact O-N 3.02Å; Y744-H757 AromaticContact CD2-CD2 3.93Å; Y744-H757 HydrophobicContact CE2-CB 4.27Å; Y744-H757 AromaticContact CE2-CE1 4Å; Y744-H757 AromaticContact CE2-CG 3.76Å; Y744-H757 AromaticContact CE2-ND1 3.68Å; Y753-H757 AromaticContact CE1-CE1 3.95Å; Y753-H757 AromaticContact CE1-NE2 3.44Å; Y753-H757 WeakPolarHBondContact CE1-NE2 3.41Å; Y753-H757 AromaticContact CZ-NE2 3.45Å; Y753-H757 PolarHBondContact OH-CE1 3.27Å; Y753-H757 PolarHBondContact OH-NE2 3.26Å; H757-I770 WeakPolarHBondContact CA-O 3.42Å
758	T	93.5	Very high	85.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.9	171.7	-170.3	0	0	0	0	110.5	L727 V730 H731 E740 V760 I770	L727-T758 HydrophobicContact CD1-CG2 3.97Å; V730-T758 HydrophobicContact CG1-CG2 4.28Å; H731-T758 PolarHBondContact NE2-OG1 3.47Å; E740-T758 CarbonylContact O-C 3.41Å; E740-T758 WeakPolarHBondContact O-CA 3.25Å; T758-V760 HydrophobicContact CG2-CG1 4.34Å; T758-I770 HydrophobicContact CG2-CB 3.96Å; T758-I770 PolarHBondContact N-O 3.5Å; T758-I770 PolarHBondContact O-N 2.94Å
759	V	92	Very high	85.5	Confident	17 Å²	17	36.4 Å²	36.4	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.2	169.9	-172.1	0	0	0	0	109.2	L737 E740 V768 E769	L737-V759 HydrophobicContact CD1-CB 4.43Å; L737-V759 HydrophobicContact CD1-CG1 3.84Å; L737-V759 PolarHBondContact N-O 3.33Å; E740-V759 HydrophobicContact CB-CB 3.73Å; E740-V759 HydrophobicContact CB-CG2 3.76Å; E740-V759 HydrophobicContact CG-CG2 4.45Å; E740-V759 PolarHBondContact O-N 2.58Å; V759-V768 WeakPolarHBondContact CA-O 3.48Å; V759-E769 HydrophobicContact CG2-CB 4.4Å; V759-E769 HydrophobicContact CG2-CG 4.33Å
760	V	92.2	Very high	86	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.6	179.7	-55.8	0	0	0	0	112	F666 V730 Y734 R735 H736 T758 G762 T767 V768 I770	F666-V760 HydrophobicContact CE2-CG2 4.23Å; F666-V760 HydrophobicContact CZ-CG2 3.81Å; V730-V760 HydrophobicContact CG1-CG1 3.78Å; Y734-V760 HydrophobicContact CG-CG2 4.33Å; R735-V760 WeakPolarHBondContact O-CA 3.38Å; H736-V760 HydrophobicContact CB-CG1 4.29Å; T758-V760 HydrophobicContact CG2-CG1 4.34Å; V760-G762 PolarHBondContact O-N 2.87Å; V760-T767 CarbonylContact O-C 3.52Å; V760-T767 WeakPolarHBondContact O-CA 3.41Å; V760-V768 HydrophobicContact CG2-CB 4.26Å; V760-V768 PolarHBondContact N-O 3.33Å; V760-V768 PolarHBondContact O-N 3.38Å; V760-I770 HydrophobicContact CG1-CD1 4.24Å; V760-I770 HydrophobicContact CG2-CD1 3.55Å; V760-I770 HydrophobicContact CG2-CG1 4.48Å
761	L	90.5	Very high	87.2	Confident	60 Å²	60	28 Å²	28	31%	0.314	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	99.4	169.2	-67	173.3	0	0	0	109.1	Y734 R735 L737 T767	Y734-L761 WeakPolarHBondContact CD1-O 3.35Å; R735-L761 PolarHBondContact O-N 3.03Å; L737-L761 HydrophobicContact CD1-CD2 4.48Å; L737-L761 HydrophobicContact CD2-CD1 4.19Å; L737-L761 HydrophobicContact CD2-CD2 4.23Å; L737-L761 HydrophobicContact CD2-CG 4.1Å; L737-L761 HydrophobicContact CG-CD2 4.46Å; L737-L761 HydrophobicContact CG-CG 4.28Å; L761-T767 HydrophobicContact CD2-CG2 4.07Å
762	G	86	Confident	88.5	Confident	7 Å²	7	26.5 Å²	26.5	7%	0.072	18%	0.176	C	C	.	.			trans	-77	-172.1	177.3	0	0	0	0	0	113.6	Y662 V760 G765 K766	Y662-G762 WeakPolarHBondContact OH-CA 3.05Å; V760-G762 PolarHBondContact O-N 2.87Å; G762-G765 PolarHBondContact O-N 3.18Å; G762-G765 VanDerWaalsContact O-N 3.16Å; G762-K766 WeakPolarHBondContact CA-O 2.86Å; G762-K766 PolarHBondContact N-O 3.17Å
763	P	83.1	Confident	89.5	Confident	51 Å²	51	25 Å²	25	33%	0.331	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-52.2	141.4	177.8	-24.8	35.4	0	0	0	112	Y662 Y734 G765	Y662-P763 WeakPolarHBondContact CE2-O 3.29Å; Y662-P763 PolarHBondContact OH-O 3.13Å; Y662-P763 VanDerWaalsContact OH-O 3.08Å; Y734-P763 VanDerWaalsContact CE1-CD 3.45Å; Y734-P763 HydrophobicContact CE1-CG 3.84Å; P763-G765 VanDerWaalsContact C-N 3.27Å; P763-G765 PolarHBondContact O-N 3.31Å
764	G	79.9	Confident	90	Very high	78 Å²	78	24.2 Å²	24.2	80%	0.804	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	69.1	18.3	-177.7	0	0	0	0	0	115.4	K766	G764-K766 PolarHBondContact O-N 3.08Å
765	G	79.3	Confident	90.1	Very high	58 Å²	58	25.3 Å²	25.3	60%	0.598	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	72	16.3	176	0	0	0	0	0	113.7	G762 P763	G762-G765 PolarHBondContact O-N 3.18Å; G762-G765 VanDerWaalsContact O-N 3.16Å; P763-G765 VanDerWaalsContact C-N 3.27Å; P763-G765 PolarHBondContact O-N 3.31Å
766	K	81.5	Confident	89.7	Confident	100 Å²	100	28.4 Å²	28.4	44%	0.435	18%	0.177	S	C	.	.			trans	-94.5	125.7	-171.6	-83.6	-170.6	-146.7	-178.2	0	109.3	Y662 R711 G762 G764	Y662-K766 HydrophobicContact CD2-CD 4.15Å; Y662-K766 HydrophobicContact CE2-CB 3.69Å; Y662-K766 HydrophobicContact CE2-CD 3.87Å; Y662-K766 HydrophobicContact CE2-CG 4.3Å; Y662-K766 VanDerWaalsContact OH-CB 3.29Å; Y662-K766 WeakPolarHBondContact OH-CB 3.21Å; Y662-K766 PolarHBondContact OH-O 3.01Å; R711-K766 VanDerWaalsContact NH1-CG 3.32Å; G762-K766 WeakPolarHBondContact CA-O 2.86Å; G762-K766 PolarHBondContact N-O 3.17Å; G764-K766 PolarHBondContact O-N 3.08Å
767	T	87.1	Confident	89.5	Confident	12 Å²	12	29.2 Å²	29.2	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.2	178.4	50.2	0	0	0	0	113.2	F708 R711 L737 V760 L761	F708-T767 WeakPolarHBondContact CA-OG1 3.17Å; F708-T767 HydrophobicContact CB-CG2 3.95Å; F708-T767 WeakPolarHBondContact CB-OG1 3.36Å; F708-T767 HydrophobicContact CD1-CG2 3.92Å; F708-T767 WeakPolarHBondContact CD1-OG1 3.49Å; F708-T767 HydrophobicContact CG-CG2 3.94Å; F708-T767 PolarHBondContact O-OG1 3.33Å; R711-T767 VanDerWaalsContact CZ-O 3.24Å; R711-T767 PolarHBondContact NE-O 3.34Å; R711-T767 PolarHBondContact NH2-O 2.96Å; R711-T767 PolarHBondContact NH2-OG1 3.03Å; L737-T767 HydrophobicContact CD1-CG2 3.89Å; V760-T767 CarbonylContact O-C 3.52Å; V760-T767 WeakPolarHBondContact O-CA 3.41Å; L761-T767 HydrophobicContact CD2-CG2 4.07Å
768	V	88.2	Confident	89.2	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.9	177.6	-169.6	0	0	0	0	109.3	Y662 F666 V713 V759 V760 I770	Y662-V768 HydrophobicContact CE1-CG2 3.56Å; F666-V768 HydrophobicContact CD1-CG1 4.03Å; F666-V768 HydrophobicContact CD2-CG2 4.09Å; F666-V768 HydrophobicContact CE1-CB 4.36Å; F666-V768 HydrophobicContact CE1-CG1 3.78Å; F666-V768 HydrophobicContact CE2-CB 4.36Å; F666-V768 HydrophobicContact CE2-CG2 4.01Å; F666-V768 HydrophobicContact CG-CG1 4.48Å; F666-V768 HydrophobicContact CG-CG2 4.48Å; F666-V768 HydrophobicContact CZ-CB 4.17Å; F666-V768 HydrophobicContact CZ-CG1 4.11Å; F666-V768 HydrophobicContact CZ-CG2 4.32Å; V713-V768 HydrophobicContact CB-CG1 4.42Å; V713-V768 HydrophobicContact CG2-CG1 3.86Å; V759-V768 WeakPolarHBondContact CA-O 3.48Å; V760-V768 HydrophobicContact CG2-CB 4.26Å; V760-V768 PolarHBondContact N-O 3.33Å; V760-V768 PolarHBondContact O-N 3.38Å; V768-I770 HydrophobicContact CG1-CG1 4.17Å
769	E	89.4	Confident	88.5	Confident	17 Å²	17	32.4 Å²	32.4	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.5	171.2	-171	-168	132.7	0	0	108.9	K688 K696 D709 R711 A712 V713 V759 Q771	K688-E769 IonicContact NZ-OE2 3.94Å; K688-E769 PolarHBondContact NZ-OE2 3.28Å; K696-E769 IonicContact NZ-OE2 3.32Å; K696-E769 PolarHBondContact NZ-OE2 3.38Å; D709-E769 WeakPolarHBondContact OD1-CB 3.26Å; R711-E769 PolarHBondContact O-N 3.35Å; R711-E769 VanDerWaalsContact O-N 3.09Å; A712-E769 CarbonylContact C-O 3.59Å; A712-E769 WeakPolarHBondContact CA-O 3.21Å; V713-E769 PolarHBondContact N-O 3.34Å; V759-E769 HydrophobicContact CG2-CB 4.4Å; V759-E769 HydrophobicContact CG2-CG 4.33Å; E769-Q771 PolarHBondContact OE1-NE2 3.32Å
770	I	92.8	Very high	87.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.7	-177.5	-57	171.8	0	0	0	109.2	F666 V713 I715 V730 H757 T758 V760 V768 I772	F666-I770 HydrophobicContact CE1-CD1 3.68Å; F666-I770 HydrophobicContact CE1-CG1 4.15Å; F666-I770 HydrophobicContact CZ-CD1 3.63Å; F666-I770 HydrophobicContact CZ-CG1 4.45Å; V713-I770 HydrophobicContact CB-CG1 4.4Å; V713-I770 CarbonylContact O-C 3.54Å; V713-I770 VanDerWaalsContact O-CA 3.31Å; V713-I770 WeakPolarHBondContact O-CA 3.35Å; I715-I770 HydrophobicContact CD1-CG2 3.53Å; I715-I770 HydrophobicContact CG1-CG2 4.31Å; V730-I770 HydrophobicContact CG1-CD1 3.39Å; V730-I770 HydrophobicContact CG2-CD1 4.32Å; H757-I770 WeakPolarHBondContact CA-O 3.42Å; T758-I770 HydrophobicContact CG2-CB 3.96Å; T758-I770 PolarHBondContact N-O 3.5Å; T758-I770 PolarHBondContact O-N 2.94Å; V760-I770 HydrophobicContact CG1-CD1 4.24Å; V760-I770 HydrophobicContact CG2-CD1 3.55Å; V760-I770 HydrophobicContact CG2-CG1 4.48Å; V768-I770 HydrophobicContact CG1-CG1 4.17Å; I770-I772 HydrophobicContact CG2-CD1 4.34Å; I770-I772 HydrophobicContact CG2-CG1 3.93Å
771	Q	95	Very high	87.3	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.8	176.7	-62.2	-179.1	-1.6	0	0	109.6	V713 R714 I715 I756 E769	V713-Q771 PolarHBondContact O-N 3.15Å; R714-Q771 CarbonylContact C-O 3.57Å; R714-Q771 WeakPolarHBondContact CA-O 3.36Å; I715-Q771 PolarHBondContact N-O 3.25Å; I756-Q771 CarbonylContact O-C 3.56Å; I756-Q771 WeakPolarHBondContact O-CA 3.33Å; E769-Q771 PolarHBondContact OE1-NE2 3.32Å
772	I	95.9	Very high	86.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.6	-178.7	-43.3	-176.5	0	0	0	109.1	I715 C723 A726 L727 S755 I756 I770	I715-I772 HydrophobicContact CB-CB 4.42Å; I715-I772 HydrophobicContact CB-CG1 4.23Å; I715-I772 HydrophobicContact CB-CG2 4.09Å; I715-I772 HydrophobicContact CD1-CD1 3.93Å; I715-I772 HydrophobicContact CD1-CG1 3.81Å; I715-I772 HydrophobicContact CG2-CG2 4.05Å; I715-I772 WeakPolarHBondContact O-CA 3.35Å; C723-I772 HydrophobicContact CB-CG2 3.87Å; A726-I772 HydrophobicContact CB-CD1 4.4Å; A726-I772 HydrophobicContact CB-CG2 4.07Å; L727-I772 HydrophobicContact CB-CD1 3.89Å; L727-I772 HydrophobicContact CD1-CD1 4.11Å; S755-I772 CarbonylContact C-O 3.55Å; S755-I772 WeakPolarHBondContact CA-O 3.41Å; S755-I772 PolarHBondContact OG-N 2.9Å; S755-I772 PolarHBondContact OG-O 3.45Å; I756-I772 HydrophobicContact CB-CB 4.22Å; I756-I772 PolarHBondContact N-O 3.13Å; I756-I772 PolarHBondContact O-N 3.11Å; I770-I772 HydrophobicContact CG2-CD1 4.34Å; I770-I772 HydrophobicContact CG2-CG1 3.93Å
773	R	95.7	Very high	85.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	168.3	-180	61.9	-166.6	-176.7	-177.4	12.7	111.5	R714 I715 V716 A717 M777 H778 E782	R714-R773 VanDerWaalsContact CZ-CZ 3.49Å; I715-R773 PolarHBondContact O-N 3.05Å; V716-R773 CarbonylContact C-O 3.59Å; V716-R773 VanDerWaalsContact CA-O 3.3Å; V716-R773 WeakPolarHBondContact CA-O 3.5Å; A717-R773 PolarHBondContact N-O 2.99Å; R773-M777 HydrophobicContact CB-CB 3.81Å; R773-M777 HydrophobicContact CB-SD 4.24Å; R773-M777 HydrophobicContact CG-CB 4.42Å; R773-H778 HydrophobicContact CG-CB 4.24Å; R773-H778 PolarHBondContact NE-ND1 3.37Å; R773-H778 PolarHBondContact NH2-CE1 3.45Å; R773-H778 VanDerWaalsContact NH2-CE1 3.28Å; R773-H778 PolarHBondContact NH2-ND1 3.49Å; R773-E782 IonicContact CZ-OE1 3.38Å; R773-E782 IonicContact NH1-OE1 3.7Å; R773-E782 IonicContact NH2-OE1 3.55Å; R773-E782 PolarHBondContact NH2-OE1 2.93Å
774	T	94.6	Very high	85.3	Confident	13 Å²	13	29.2 Å²	29.2	8%	0.08	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	170.1	173.9	66.1	0	0	0	0	111.7	A717 C723 Q776 M777 H778	A717-T774 CarbonylContact O-C 3.55Å; A717-T774 WeakPolarHBondContact O-CA 3.47Å; C723-T774 VanDerWaalsContact SG-CG2 3.59Å; T774-Q776 VanDerWaalsContact C-N 3.35Å; T774-M777 HydrophobicContact CG2-CE 4.23Å; T774-M777 HydrophobicContact CG2-SD 4Å; T774-M777 PolarHBondContact O-N 3.44Å; T774-M777 WeakPolarHBondContact OG1-CB 3.29Å; T774-M777 WeakPolarHBondContact OG1-CG 3.45Å; T774-M777 PolarHBondContact OG1-N 2.9Å; T774-M777 VanDerWaalsContact OG1-N 3.12Å; T774-H778 WeakPolarHBondContact O-CB 3.38Å; T774-H778 PolarHBondContact O-N 3.27Å
775	K	91	Very high	84.7	Confident	74 Å²	74	26.6 Å²	26.6	32%	0.322	14%	0.144	S	C	.	.	H	α-helix	trans	-56.1	-46.4	169.7	-73.5	-176.4	169.3	178.8	0	112.4	E682 V716 A717 E718 H778 E779	E682-K775 VanDerWaalsContact OE1-CE 3.26Å; E682-K775 WeakPolarHBondContact OE1-CE 3.11Å; E682-K775 IonicContact OE1-NZ 3.99Å; E682-K775 PolarHBondContact OE1-NZ 3.07Å; E682-K775 VanDerWaalsContact OE1-NZ 3.14Å; V716-K775 HydrophobicContact CG1-CB 4.29Å; V716-K775 HydrophobicContact CG1-CG 3.65Å; A717-K775 PolarHBondContact O-N 2.79Å; E718-K775 WeakPolarHBondContact OE1-CE 3.47Å; E718-K775 IonicContact OE1-NZ 3.87Å; E718-K775 PolarHBondContact OE1-NZ 3.25Å; K775-H778 WeakPolarHBondContact O-CA 3.45Å; K775-H778 WeakPolarHBondContact O-CB 3.21Å; K775-H778 PolarHBondContact O-N 3.42Å; K775-H778 VanDerWaalsContact O-N 3.13Å; K775-E779 PolarHBondContact O-N 2.86Å
776	Q	87.2	Confident	84	Confident	64 Å²	64	24.1 Å²	24.1	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-59.4	-50.2	175.5	-175.2	62.7	51	0	0	111.8	T774 H778 E779 D780 Y791	T774-Q776 VanDerWaalsContact C-N 3.35Å; Q776-H778 PolarHBondContact O-N 3.23Å; Q776-E779 WeakPolarHBondContact O-CB 3.44Å; Q776-E779 PolarHBondContact O-N 3.36Å; Q776-E779 VanDerWaalsContact O-N 3.09Å; Q776-D780 PolarHBondContact NE2-OD1 2.71Å; Q776-D780 VanDerWaalsContact O-CG 3.25Å; Q776-D780 PolarHBondContact O-N 3.26Å; Q776-Y791 VanDerWaalsContact OE1-CE2 3.25Å; Q776-Y791 VanDerWaalsContact OE1-CZ 3.25Å; Q776-Y791 PolarHBondContact OE1-OH 3.12Å
777	M	90.2	Very high	82.9	Confident	18 Å²	18	19.4 Å²	19.4	9%	0.089	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-28.1	177.8	-68	168.4	-174.7	0	0	112.3	L720 V745 Q754 R773 T774 A781	L720-M777 HydrophobicContact CD1-CE 4.16Å; V745-M777 HydrophobicContact CG1-CE 3.54Å; V745-M777 HydrophobicContact CG1-SD 4.26Å; V745-M777 HydrophobicContact CG2-CE 4.32Å; V745-M777 HydrophobicContact CG2-SD 3.94Å; Q754-M777 HydrophobicContact CB-CB 4.32Å; Q754-M777 HydrophobicContact CB-CG 3.85Å; Q754-M777 HydrophobicContact CB-SD 4.09Å; R773-M777 HydrophobicContact CB-CB 3.81Å; R773-M777 HydrophobicContact CB-SD 4.24Å; R773-M777 HydrophobicContact CG-CB 4.42Å; T774-M777 HydrophobicContact CG2-CE 4.23Å; T774-M777 HydrophobicContact CG2-SD 4Å; T774-M777 PolarHBondContact O-N 3.44Å; T774-M777 WeakPolarHBondContact OG1-CB 3.29Å; T774-M777 WeakPolarHBondContact OG1-CG 3.45Å; T774-M777 PolarHBondContact OG1-N 2.9Å; T774-M777 VanDerWaalsContact OG1-N 3.12Å; M777-A781 WeakPolarHBondContact O-CB 3.27Å; M777-A781 PolarHBondContact O-N 3.22Å
778	H	87.3	Confident	81.6	Confident	41 Å²	41	23.2 Å²	23.2	19%	0.19	12%	0.115	C	C	.	.	H	α-helix	trans	-68.1	-48.9	172.6	-179.3	100.7	0	0	0	110.8	Y684 R714 V716 R773 T774 K775 Q776 A781 E782	Y684-H778 PolarHBondContact OH-CE1 2.74Å; Y684-H778 PolarHBondContact OH-ND1 2.68Å; R714-H778 PolarHBondContact NH1-CE1 3.31Å; V716-H778 HydrophobicContact CG1-CB 3.97Å; V716-H778 HydrophobicContact CG2-CB 4.27Å; V716-H778 WeakPolarHBondContact CG2-ND1 3.14Å; R773-H778 HydrophobicContact CG-CB 4.24Å; R773-H778 PolarHBondContact NE-ND1 3.37Å; R773-H778 PolarHBondContact NH2-CE1 3.45Å; R773-H778 VanDerWaalsContact NH2-CE1 3.28Å; R773-H778 PolarHBondContact NH2-ND1 3.49Å; T774-H778 WeakPolarHBondContact O-CB 3.38Å; T774-H778 PolarHBondContact O-N 3.27Å; K775-H778 WeakPolarHBondContact O-CA 3.45Å; K775-H778 WeakPolarHBondContact O-CB 3.21Å; K775-H778 PolarHBondContact O-N 3.42Å; K775-H778 VanDerWaalsContact O-N 3.13Å; Q776-H778 PolarHBondContact O-N 3.23Å; H778-A781 PolarHBondContact O-N 3.11Å; H778-E782 WeakPolarHBondContact O-CG 3.21Å; H778-E782 PolarHBondContact O-N 2.93Å
779	E	80.6	Confident	80.2	Confident	53 Å²	53	27 Å²	27	25%	0.248	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-49.4	175	-68.4	-179.2	157	0	0	110.8	K775 Q776 A781 E782 L783 A787 Y791	K775-E779 PolarHBondContact O-N 2.86Å; Q776-E779 WeakPolarHBondContact O-CB 3.44Å; Q776-E779 PolarHBondContact O-N 3.36Å; Q776-E779 VanDerWaalsContact O-N 3.09Å; E779-A781 VanDerWaalsContact C-N 3.27Å; E779-A781 PolarHBondContact O-N 2.99Å; E779-E782 PolarHBondContact O-N 3.27Å; E779-L783 WeakPolarHBondContact O-CA 3.13Å; E779-L783 VanDerWaalsContact O-CB 3.23Å; E779-L783 WeakPolarHBondContact O-CB 3.46Å; E779-L783 WeakPolarHBondContact O-CG 3.47Å; E779-L783 PolarHBondContact O-N 3.4Å; E779-A787 HydrophobicContact CB-CB 4.18Å; E779-Y791 VanDerWaalsContact OE2-CE2 3.25Å; E779-Y791 WeakPolarHBondContact OE2-CE2 3.49Å; E779-Y791 PolarHBondContact OE2-OH 3.32Å
780	D	77.7	Confident	78.4	Confident	18 Å²	18	31.2 Å²	31.2	10%	0.096	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-32	179.1	-59.8	-22.2	0	0	0	112.5	Q776 G784 A787 H788	Q776-D780 PolarHBondContact NE2-OD1 2.71Å; Q776-D780 VanDerWaalsContact O-CG 3.25Å; Q776-D780 PolarHBondContact O-N 3.26Å; D780-G784 WeakPolarHBondContact O-CA 3.48Å; D780-G784 PolarHBondContact O-N 3.31Å; D780-A787 WeakPolarHBondContact OD1-CB 3.25Å; D780-H788 IonicContact OD1-NE2 3.44Å
781	A	80.6	Confident	75.9	Confident	7 Å²	7	36.9 Å²	36.9	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-82.7	-23.9	-179.8	0	0	0	0	0	114.6	Y753 M777 H778 E779	Y753-A781 HydrophobicContact CD2-CB 3.63Å; Y753-A781 HydrophobicContact CE2-CB 3.72Å; M777-A781 WeakPolarHBondContact O-CB 3.27Å; M777-A781 PolarHBondContact O-N 3.22Å; H778-A781 PolarHBondContact O-N 3.11Å; E779-A781 VanDerWaalsContact C-N 3.27Å; E779-A781 PolarHBondContact O-N 2.99Å
782	E	74.3	Confident	73.7	Confident	17 Å²	17	40.1 Å²	40.1	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-94	-38.7	177.7	-60.7	-58.6	142.1	0	0	111.3	G626 Q627 W630 R714 R773 H778 E779	G626-E782 PolarHBondContact N-O 3.36Å; Q627-E782 PolarHBondContact N-O 3.36Å; W630-E782 VanDerWaalsContact CZ3-OE2 3.27Å; W630-E782 WeakPolarHBondContact CZ3-OE2 3.47Å; R714-E782 IonicContact CZ-OE1 2.64Å; R714-E782 IonicContact NH1-OE1 3.85Å; R714-E782 PolarHBondContact NH1-OE1 2.85Å; R714-E782 IonicContact NH2-OE1 3.11Å; R714-E782 PolarHBondContact NH2-OE1 3.36Å; R773-E782 IonicContact CZ-OE1 3.38Å; R773-E782 IonicContact NH1-OE1 3.7Å; R773-E782 IonicContact NH2-OE1 3.55Å; R773-E782 PolarHBondContact NH2-OE1 2.93Å; H778-E782 WeakPolarHBondContact O-CG 3.21Å; H778-E782 PolarHBondContact O-N 2.93Å; E779-E782 PolarHBondContact O-N 3.27Å
783	L	70.4	Confident	71.3	Confident	22 Å²	22	47.6 Å²	47.6	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-103.3	-15.5	-175.2	-52.5	-179.1	0	0	0	113.2	L503 E779 V785 A786 A787	L503-L783 HydrophobicContact CB-CD2 4.17Å; L503-L783 HydrophobicContact CD2-CD2 3.41Å; L503-L783 VanDerWaalsContact CD2-CD2 3.41Å; L503-L783 HydrophobicContact CG-CD2 4.38Å; E779-L783 WeakPolarHBondContact O-CA 3.13Å; E779-L783 VanDerWaalsContact O-CB 3.23Å; E779-L783 WeakPolarHBondContact O-CB 3.46Å; E779-L783 WeakPolarHBondContact O-CG 3.47Å; E779-L783 PolarHBondContact O-N 3.4Å; L783-V785 PolarHBondContact O-N 3.27Å; L783-A786 HydrophobicContact CB-CB 4.28Å; L783-A786 VanDerWaalsContact O-CB 3.29Å; L783-A786 WeakPolarHBondContact O-CB 3.24Å; L783-A786 PolarHBondContact O-N 3.24Å; L783-A787 HydrophobicContact CB-CB 4Å; L783-A787 HydrophobicContact CD1-CB 4.39Å
784	G	73.4	Confident	68.6	Low	5 Å²	5	51.3 Å²	51.3	5%	0.052	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-131.6	178.4	0	0	0	0	0	112.5	L623 G624 D780 A786 A787	L623-G784 VanDerWaalsContact O-CA 3.24Å; L623-G784 WeakPolarHBondContact O-CA 3.5Å; G624-G784 VanDerWaalsContact C-CA 3.48Å; G624-G784 WeakPolarHBondContact O-CA 3.34Å; G624-G784 PolarHBondContact O-N 3.28Å; D780-G784 WeakPolarHBondContact O-CA 3.48Å; D780-G784 PolarHBondContact O-N 3.31Å; G784-A786 PolarHBondContact O-N 3.15Å; G784-A787 PolarHBondContact O-N 2.91Å
785	V	67.1	Low	65.8	Low	23 Å²	23	54.9 Å²	54.9	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-27.4	176.3	-179.9	0	0	0	0	112.5	F580 L623 L783 A787 H788 W789	F580-V785 HydrophobicContact CD2-CG1 3.91Å; F580-V785 HydrophobicContact CE2-CG1 4.29Å; F580-V785 HydrophobicContact CG-CG1 4.27Å; L623-V785 HydrophobicContact CD2-CG2 4.43Å; L623-V785 PolarHBondContact O-N 3.49Å; L783-V785 PolarHBondContact O-N 3.27Å; V785-A787 VanDerWaalsContact C-N 3.29Å; V785-A787 PolarHBondContact O-N 3.27Å; V785-H788 PolarHBondContact O-N 3.26Å; V785-W789 PolarHBondContact O-N 3.43Å
786	A	63.5	Low	63	Low	5 Å²	5	54.4 Å²	54.4	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-30.2	179.3	0	0	0	0	0	112.9	M505 L783 G784	M505-A786 HydrophobicContact SD-CB 3.86Å; L783-A786 HydrophobicContact CB-CB 4.28Å; L783-A786 VanDerWaalsContact O-CB 3.29Å; L783-A786 WeakPolarHBondContact O-CB 3.24Å; L783-A786 PolarHBondContact O-N 3.24Å; G784-A786 PolarHBondContact O-N 3.15Å
787	A	58	Low	60.4	Low	2 Å²	2	57.2 Å²	57.2	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-42	174.9	0	0	0	0	0	112.4	E779 D780 L783 G784 V785 W789 K790	E779-A787 HydrophobicContact CB-CB 4.18Å; D780-A787 WeakPolarHBondContact OD1-CB 3.25Å; L783-A787 HydrophobicContact CB-CB 4Å; L783-A787 HydrophobicContact CD1-CB 4.39Å; G784-A787 PolarHBondContact O-N 2.91Å; V785-A787 VanDerWaalsContact C-N 3.29Å; V785-A787 PolarHBondContact O-N 3.27Å; A787-W789 VanDerWaalsContact C-N 3.3Å; A787-W789 PolarHBondContact O-N 2.92Å; A787-K790 WeakPolarHBondContact O-CB 3.46Å; A787-K790 PolarHBondContact O-N 3.14Å
788	H	60.1	Low	57.5	Low	92 Å²	92	60 Å²	60	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-33.7	-178	-81.9	-83.5	0	0	0	113.1	D780 V785	D780-H788 IonicContact OD1-NE2 3.44Å; V785-H788 PolarHBondContact O-N 3.26Å
789	W	60.1	Low	54.9	Low	81 Å²	81	59.7 Å²	59.7	31%	0.307	37%	0.372	S	S	.	.	H	α-helix	trans	-69.1	-36.7	177.9	-86	84.4	0	0	0	112.6	F580 V785 A787 Y791 K792	F580-W789 AromaticContact CD1-CD1 3.81Å; F580-W789 AromaticContact CD1-CD2 3.99Å; F580-W789 HydrophobicContact CD1-CD2 3.99Å; F580-W789 AromaticContact CD1-CE2 3.36Å; F580-W789 HydrophobicContact CD1-CG 4.23Å; F580-W789 HydrophobicContact CD1-CH2 4.47Å; F580-W789 AromaticContact CD1-CZ2 3.66Å; F580-W789 HydrophobicContact CD1-CZ2 3.66Å; F580-W789 AromaticContact CD1-NE1 3.26Å; F580-W789 VanDerWaalsContact CD1-NE1 3.26Å; F580-W789 HydrophobicContact CE1-CB 4.2Å; F580-W789 AromaticContact CE1-CD1 3.28Å; F580-W789 AromaticContact CE1-CD2 3.18Å; F580-W789 HydrophobicContact CE1-CD2 3.18Å; F580-W789 AromaticContact CE1-CE2 3.09Å; F580-W789 AromaticContact CE1-CE3 3.88Å; F580-W789 HydrophobicContact CE1-CE3 3.88Å; F580-W789 AromaticContact CE1-CG 3.3Å; F580-W789 HydrophobicContact CE1-CG 3.3Å; F580-W789 HydrophobicContact CE1-CH2 4.28Å; F580-W789 AromaticContact CE1-CZ2 3.69Å; F580-W789 HydrophobicContact CE1-CZ2 3.69Å; F580-W789 HydrophobicContact CE1-CZ3 4.37Å; F580-W789 AromaticContact CE1-NE1 3.14Å; F580-W789 AromaticContact CE2-CD1 3.89Å; F580-W789 HydrophobicContact CE2-CG 4.29Å; F580-W789 AromaticContact CG-NE1 3.94Å; F580-W789 HydrophobicContact CZ-CB 3.8Å; F580-W789 AromaticContact CZ-CD1 3.3Å; F580-W789 AromaticContact CZ-CD2 3.76Å; F580-W789 HydrophobicContact CZ-CD2 3.76Å; F580-W789 AromaticContact CZ-CE2 3.97Å; F580-W789 AromaticContact CZ-CG 3.32Å; F580-W789 HydrophobicContact CZ-CG 3.32Å; F580-W789 AromaticContact CZ-NE1 3.7Å; V785-W789 PolarHBondContact O-N 3.43Å; A787-W789 VanDerWaalsContact C-N 3.3Å; A787-W789 PolarHBondContact O-N 2.92Å; W789-Y791 PolarHBondContact O-N 3.01Å; W789-K792 PolarHBondContact O-N 3.13Å
790	K	49.8	Very low	52.7	Low	105 Å²	105	62.3 Å²	62.3	46%	0.457	40%	0.403	S	S	.	.	H	α-helix	trans	-58.3	-44.1	177.9	-173.6	179.5	178.4	179.1	0	113.2	A787 K792	A787-K790 WeakPolarHBondContact O-CB 3.46Å; A787-K790 PolarHBondContact O-N 3.14Å; K790-K792 PolarHBondContact O-N 3.05Å
791	Y	40.9	Very low	50.7	Low	119 Å²	119	71.2 Å²	71.2	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-74.4	-23.1	-174.6	-81.9	-84.9	0	0	0	114.2	Q776 E779 W789	Q776-Y791 VanDerWaalsContact OE1-CE2 3.25Å; Q776-Y791 VanDerWaalsContact OE1-CZ 3.25Å; Q776-Y791 PolarHBondContact OE1-OH 3.12Å; E779-Y791 VanDerWaalsContact OE2-CE2 3.25Å; E779-Y791 WeakPolarHBondContact OE2-CE2 3.49Å; E779-Y791 PolarHBondContact OE2-OH 3.32Å; W789-Y791 PolarHBondContact O-N 3.01Å
792	K	48.1	Very low	49	Very low	84 Å²	84	73.3 Å²	73.3	37%	0.365	45%	0.449	S	S	.	.	H	α-helix	trans	-87.2	-17.3	-172.9	-74.4	-175.7	177.7	175.9	0	114.4	W789 K790 S802 D806	W789-K792 PolarHBondContact O-N 3.13Å; K790-K792 PolarHBondContact O-N 3.05Å; K792-S802 PolarHBondContact NZ-O 3.05Å; K792-D806 IonicContact NZ-OD1 3.67Å; K792-D806 PolarHBondContact NZ-OD1 2.86Å; K792-D806 VanDerWaalsContact NZ-OD1 3.11Å; K792-D806 IonicContact NZ-OD2 3.17Å; K792-D806 PolarHBondContact NZ-OD2 3.21Å
793	E	46.3	Very low	47.7	Very low	157 Å²	157	73.5 Å²	73.5	73%	0.734	46%	0.456	S	S	*	.	H	α-helix	trans	-71.2	-28.6	171.8	-74.3	-164	153.4	0	0	113
794	G	38.8	Very low	46.8	Very low	77 Å²	77	72.9 Å²	72.9	79%	0.794	45%	0.452	S	S	*	.	H	α-helix	trans	-84.9	-21.1	-173.9	0	0	0	0	0	116.4
795	A	36.2	Very low	45.8	Very low	89 Å²	89	79.1 Å²	79.1	74%	0.736	48%	0.48	S	S	*	.	H	α-helix	trans	-117	-9	-164.1	0	0	0	0	0	116.9
796	A	31.8	Very low	45.2	Very low	63 Å²	63	80.1 Å²	80.1	52%	0.521	49%	0.485	S	S	.	.			trans	-161.7	89.1	176.4	0	0	0	0	0	114.3	G798	A796-G798 PolarHBondContact O-N 3.27Å
797	A	33.7	Very low	44.8	Very low	124 Å²	124	83.7 Å²	83.7	100%	1.025	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	24.8	152	0	0	0	0	0	113.1
798	G	29.7	Very low	44.6	Very low	76 Å²	76	84.4 Å²	84.4	78%	0.784	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	12.3	-167.5	0	0	0	0	0	116.1	A796	A796-G798 PolarHBondContact O-N 3.27Å
799	G	30.9	Very low	44.6	Very low	34 Å²	34	82.2 Å²	82.2	35%	0.351	50%	0.499	S	S	.	.			trans	-154.5	82.8	179.3	0	0	0	0	0	114.5	R801 S802	G799-R801 PolarHBondContact O-N 2.87Å; G799-S802 PolarHBondContact O-N 3.02Å; G799-S802 PolarHBondContact O-OG 3.11Å
800	A	35	Very low	44.6	Very low	108 Å²	108	79 Å²	79	89%	0.893	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-6.3	173.5	0	0	0	0	0	115.1
801	R	36.6	Very low	45	Very low	206 Å²	206	74.6 Å²	74.6	78%	0.777	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.9	178.2	-76.1	-179.5	167.1	170.4	-5.2	114.5	G799	G799-R801 PolarHBondContact O-N 2.87Å
802	S	43.6	Very low	46	Very low	50 Å²	50	75.2 Å²	75.2	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-83.5	-24.3	-165.8	66.6	0	0	0	0	116	K792 G799 H804	K792-S802 PolarHBondContact NZ-O 3.05Å; G799-S802 PolarHBondContact O-N 3.02Å; G799-S802 PolarHBondContact O-OG 3.11Å; S802-H804 VanDerWaalsContact C-N 3.33Å
803	G	47.9	Very low	46.6	Very low	22 Å²	22	74.4 Å²	74.4	23%	0.227	47%	0.466	C	S	.	.	H	α-helix	trans	-84.9	-8.3	175.7	0	0	0	0	0	113.8
804	H	51.4	Low	47.2	Very low	9 Å²	9	67.5 Å²	67.5	4%	0.042	43%	0.434	C	S	.	.	H	α-helix	trans	-83	-47.9	-177.2	-172.8	102.6	0	0	0	111.9	S802 D806 R807 I808 F843 T844 G847 Q894	S802-H804 VanDerWaalsContact C-N 3.33Å; H804-D806 PolarHBondContact O-N 3.39Å; H804-R807 PolarHBondContact O-N 3.39Å; H804-I808 VanDerWaalsContact CD2-CD1 3.41Å; H804-I808 WeakPolarHBondContact CD2-CD1 3.42Å; H804-I808 WeakPolarHBondContact NE2-CD1 3.44Å; H804-I808 PolarHBondContact O-N 3.06Å; H804-I808 VanDerWaalsContact O-N 3.16Å; H804-F843 AromaticContact CE1-CD1 3.86Å; H804-F843 WeakPolarHBondContact NE2-CB 3.42Å; H804-F843 AromaticContact NE2-CD1 3.98Å; H804-F843 AromaticContact NE2-CG 3.85Å; H804-T844 PolarHBondContact CE1-O 3.13Å; H804-G847 WeakPolarHBondContact CE1-CA 3.47Å; H804-G847 WeakPolarHBondContact ND1-CA 3.1Å; H804-G847 PolarHBondContact ND1-N 3.14Å; H804-Q894 PolarHBondContact CE1-NE2 2.9Å; H804-Q894 VanDerWaalsContact NE2-CD 3.3Å; H804-Q894 WeakPolarHBondContact NE2-CG 3.46Å; H804-Q894 PolarHBondContact NE2-NE2 2.9Å
805	E	52.1	Low	48.1	Very low	135 Å²	135	66 Å²	66	63%	0.631	41%	0.407	S	S	*	.	H	α-helix	trans	-60.5	-34.7	176.7	-72.2	-177.4	163.2	0	0	111.7	I808 A809	E805-I808 PolarHBondContact O-N 2.97Å; E805-A809 WeakPolarHBondContact O-CB 3.17Å; E805-A809 PolarHBondContact O-N 3.26Å
806	D	54.9	Low	49.2	Very low	44 Å²	44	63.8 Å²	63.8	24%	0.235	39%	0.388	C	S	.	.	H	α-helix	trans	-65.2	-43	177.7	-64.4	-18.9	0	0	0	111.5	K792 H804 A809 W810	K792-D806 IonicContact NZ-OD1 3.67Å; K792-D806 PolarHBondContact NZ-OD1 2.86Å; K792-D806 VanDerWaalsContact NZ-OD1 3.11Å; K792-D806 IonicContact NZ-OD2 3.17Å; K792-D806 PolarHBondContact NZ-OD2 3.21Å; H804-D806 PolarHBondContact O-N 3.39Å; D806-A809 PolarHBondContact O-N 3.34Å; D806-W810 WeakPolarHBondContact O-CB 3.46Å; D806-W810 PolarHBondContact O-N 2.99Å
807	R	55.1	Low	50.4	Low	80 Å²	80	61.5 Å²	61.5	30%	0.302	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-39.3	175.6	-75	-173.5	-117.5	179.8	-6.7	112.2	V577 H804 W810 L811 F843	V577-R807 WeakPolarHBondContact O-CD 3.47Å; H804-R807 PolarHBondContact O-N 3.39Å; R807-W810 WeakPolarHBondContact O-CB 3.43Å; R807-W810 PolarHBondContact O-N 3.12Å; R807-L811 WeakPolarHBondContact O-CB 3.4Å; R807-L811 PolarHBondContact O-N 3.48Å; R807-F843 HydrophobicContact CB-CE1 4.25Å
808	I	53.7	Low	51.3	Low	17 Å²	17	58 Å²	58	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-50.4	174.8	-68.9	170.5	0	0	0	110.8	H804 E805 W810 L811 R812 F843 Q894	H804-I808 VanDerWaalsContact CD2-CD1 3.41Å; H804-I808 WeakPolarHBondContact CD2-CD1 3.42Å; H804-I808 WeakPolarHBondContact NE2-CD1 3.44Å; H804-I808 PolarHBondContact O-N 3.06Å; H804-I808 VanDerWaalsContact O-N 3.16Å; E805-I808 PolarHBondContact O-N 2.97Å; I808-W810 PolarHBondContact O-N 3.37Å; I808-L811 PolarHBondContact O-N 3.37Å; I808-R812 WeakPolarHBondContact O-CG 3.45Å; I808-R812 PolarHBondContact O-N 3.03Å; I808-F843 HydrophobicContact CB-CE2 4.32Å; I808-F843 HydrophobicContact CD1-CD2 4Å; I808-F843 HydrophobicContact CD1-CE2 4.4Å; I808-F843 HydrophobicContact CD1-CG 4.16Å; I808-F843 HydrophobicContact CG1-CD1 4.17Å; I808-F843 HydrophobicContact CG1-CD2 3.5Å; I808-F843 HydrophobicContact CG1-CE1 4.07Å; I808-F843 HydrophobicContact CG1-CE2 3.42Å; I808-F843 VanDerWaalsContact CG1-CE2 3.42Å; I808-F843 HydrophobicContact CG1-CG 3.89Å; I808-F843 HydrophobicContact CG1-CZ 3.7Å; I808-Q894 HydrophobicContact CD1-CB 4.33Å
809	A	59.2	Low	52.3	Low	47 Å²	47	61.1 Å²	61.1	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-36.7	178.5	0	0	0	0	0	111	E805 D806 K813	E805-A809 WeakPolarHBondContact O-CB 3.17Å; E805-A809 PolarHBondContact O-N 3.26Å; D806-A809 PolarHBondContact O-N 3.34Å; A809-K813 WeakPolarHBondContact O-CG 3.24Å; A809-K813 PolarHBondContact O-N 2.73Å
810	W	61.2	Low	53.3	Low	14 Å²	14	65.3 Å²	65.3	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-48.6	177	-170.9	82.6	0	0	0	113	M576 V577 F580 V583 L623 D806 R807 I808 R812 K813 L814	M576-W810 HydrophobicContact CB-CH2 3.32Å; M576-W810 HydrophobicContact CB-CZ2 4.49Å; M576-W810 HydrophobicContact CB-CZ3 3.75Å; M576-W810 HydrophobicContact CG-CH2 3.89Å; M576-W810 WeakPolarHBondContact O-CH2 3.5Å; M576-W810 WeakPolarHBondContact O-CZ3 3.39Å; V577-W810 HydrophobicContact CB-CE3 4.47Å; V577-W810 HydrophobicContact CB-CZ3 4.11Å; V577-W810 HydrophobicContact CG2-CE3 4Å; V577-W810 HydrophobicContact CG2-CZ3 3.66Å; F580-W810 HydrophobicContact CB-CZ2 4.26Å; V583-W810 HydrophobicContact CG2-CH2 4.02Å; V583-W810 HydrophobicContact CG2-CZ2 3.83Å; L623-W810 HydrophobicContact CD2-CZ2 4.14Å; D806-W810 WeakPolarHBondContact O-CB 3.46Å; D806-W810 PolarHBondContact O-N 2.99Å; R807-W810 WeakPolarHBondContact O-CB 3.43Å; R807-W810 PolarHBondContact O-N 3.12Å; I808-W810 PolarHBondContact O-N 3.37Å; W810-R812 VanDerWaalsContact C-N 3.28Å; W810-R812 PolarHBondContact O-N 3.26Å; W810-K813 WeakPolarHBondContact O-CB 3.15Å; W810-K813 PolarHBondContact O-N 3.38Å; W810-K813 VanDerWaalsContact O-N 3.09Å; W810-L814 HydrophobicContact CD2-CD1 4.01Å; W810-L814 HydrophobicContact CE3-CD1 3.67Å; W810-L814 HydrophobicContact CH2-CD1 3.08Å; W810-L814 HydrophobicContact CZ2-CD1 3.46Å; W810-L814 VanDerWaalsContact CZ2-CD1 3.46Å; W810-L814 HydrophobicContact CZ3-CD1 3.13Å; W810-L814 PolarHBondContact O-N 2.94Å
811	L	58.6	Low	54	Low	11 Å²	11	61.4 Å²	61.4	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-42.1	176.4	-155.8	159.5	0	0	0	110.8	V577 R807 I808 K813 L814 I815 F843	V577-L811 HydrophobicContact CB-CD1 4.12Å; V577-L811 HydrophobicContact CG1-CD1 3.53Å; V577-L811 HydrophobicContact CG1-CG 4.42Å; V577-L811 HydrophobicContact CG2-CB 4.14Å; V577-L811 HydrophobicContact CG2-CD1 3.38Å; V577-L811 HydrophobicContact CG2-CG 3.49Å; V577-L811 VanDerWaalsContact CG2-CG 3.49Å; R807-L811 WeakPolarHBondContact O-CB 3.4Å; R807-L811 PolarHBondContact O-N 3.48Å; I808-L811 PolarHBondContact O-N 3.37Å; L811-K813 PolarHBondContact O-N 3.46Å; L811-L814 WeakPolarHBondContact O-CB 3.44Å; L811-L814 PolarHBondContact O-N 3.13Å; L811-L814 VanDerWaalsContact O-N 3.16Å; L811-I815 HydrophobicContact CD2-CD1 3.46Å; L811-I815 VanDerWaalsContact CD2-CD1 3.46Å; L811-I815 HydrophobicContact CD2-CG1 4.07Å; L811-I815 WeakPolarHBondContact O-CG1 3.49Å; L811-I815 PolarHBondContact O-N 3.01Å; L811-F843 HydrophobicContact CD1-CE2 4.05Å; L811-F843 HydrophobicContact CD1-CZ 3.8Å
812	R	61	Low	54.4	Low	132 Å²	132	53.3 Å²	53.3	50%	0.498	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-42	174	-72.3	177.6	176.4	172.9	0.8	112.7	I808 W810 L814 I815 A816	I808-R812 WeakPolarHBondContact O-CG 3.45Å; I808-R812 PolarHBondContact O-N 3.03Å; W810-R812 VanDerWaalsContact C-N 3.28Å; W810-R812 PolarHBondContact O-N 3.26Å; R812-L814 VanDerWaalsContact C-N 3.3Å; R812-L814 PolarHBondContact O-N 3.06Å; R812-I815 PolarHBondContact O-N 3.45Å; R812-A816 PolarHBondContact O-N 3.07Å
813	K	60.4	Low	54.3	Low	68 Å²	68	58.1 Å²	58.1	30%	0.296	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-35.7	174.4	-74.5	178.7	-178.6	-172.8	0	112.2	P750 N751 A809 W810 L811 W817	P750-K813 WeakPolarHBondContact O-CE 3.37Å; N751-K813 PolarHBondContact O-NZ 3.47Å; A809-K813 WeakPolarHBondContact O-CG 3.24Å; A809-K813 PolarHBondContact O-N 2.73Å; W810-K813 WeakPolarHBondContact O-CB 3.15Å; W810-K813 PolarHBondContact O-N 3.38Å; W810-K813 VanDerWaalsContact O-N 3.09Å; L811-K813 PolarHBondContact O-N 3.46Å; K813-W817 PolarHBondContact O-N 2.91Å
814	L	60.3	Low	54.2	Low	12 Å²	12	60.5 Å²	60.5	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-73.2	-30.6	178.5	-122.2	158.4	0	0	0	113	L573 M576 L619 W810 L811 R812 W817	L573-L814 HydrophobicContact CD2-CD2 3.62Å; M576-L814 HydrophobicContact CB-CD1 4.4Å; M576-L814 HydrophobicContact SD-CD1 4.05Å; M576-L814 HydrophobicContact SD-CD2 4.1Å; L619-L814 HydrophobicContact CD1-CD2 4.4Å; W810-L814 HydrophobicContact CD2-CD1 4.01Å; W810-L814 HydrophobicContact CE3-CD1 3.67Å; W810-L814 HydrophobicContact CH2-CD1 3.08Å; W810-L814 HydrophobicContact CZ2-CD1 3.46Å; W810-L814 VanDerWaalsContact CZ2-CD1 3.46Å; W810-L814 HydrophobicContact CZ3-CD1 3.13Å; W810-L814 PolarHBondContact O-N 2.94Å; L811-L814 WeakPolarHBondContact O-CB 3.44Å; L811-L814 PolarHBondContact O-N 3.13Å; L811-L814 VanDerWaalsContact O-N 3.16Å; R812-L814 VanDerWaalsContact C-N 3.3Å; R812-L814 PolarHBondContact O-N 3.06Å; L814-W817 HydrophobicContact CD2-CE3 3.7Å; L814-W817 HydrophobicContact CD2-CZ3 4.12Å; L814-W817 VanDerWaalsContact O-CA 3.23Å; L814-W817 WeakPolarHBondContact O-CA 3.49Å; L814-W817 VanDerWaalsContact O-CB 3.27Å; L814-W817 WeakPolarHBondContact O-CB 3.33Å
815	I	58	Low	53.9	Low	45 Å²	45	63.6 Å²	63.6	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-71.1	-45.4	170.4	-67.6	170.7	0	0	0	110.2	L811 R812 W817 Q818 M891	L811-I815 HydrophobicContact CD2-CD1 3.46Å; L811-I815 VanDerWaalsContact CD2-CD1 3.46Å; L811-I815 HydrophobicContact CD2-CG1 4.07Å; L811-I815 WeakPolarHBondContact O-CG1 3.49Å; L811-I815 PolarHBondContact O-N 3.01Å; R812-I815 PolarHBondContact O-N 3.45Å; I815-W817 VanDerWaalsContact C-N 3.34Å; I815-W817 CarbonylContact O-C 3.56Å; I815-W817 WeakPolarHBondContact O-CA 3.35Å; I815-W817 PolarHBondContact O-N 3.44Å; I815-Q818 PolarHBondContact O-N 3.08Å; I815-M891 HydrophobicContact CD1-CB 4.24Å; I815-M891 HydrophobicContact CD1-CG 4.19Å; I815-M891 HydrophobicContact CD1-SD 4.3Å
816	A	58.3	Low	53.7	Low	42 Å²	42	65 Å²	65	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-36.4	177.5	0	0	0	0	0	113.4	R812 Q818 E819	R812-A816 PolarHBondContact O-N 3.07Å; A816-Q818 PolarHBondContact O-N 3.05Å; A816-E819 PolarHBondContact O-N 3.31Å
817	W	55.9	Low	53.4	Low	16 Å²	16	67.1 Å²	67.1	6%	0.061	36%	0.36	C	S	.	.	H	α-helix		23.6	-104.6	121.3	-142.6	45.6	0	0	0	119.2	I615 P618 L619 R622 K813 L814 I815 E819 E820 M821	I615-W817 HydrophobicContact CG2-CH2 3.98Å; I615-W817 HydrophobicContact CG2-CZ2 4.42Å; I615-W817 WeakPolarHBondContact O-CZ2 3.36Å; P618-W817 HydrophobicContact CB-CZ2 4.45Å; L619-W817 HydrophobicContact CB-CH2 4.39Å; L619-W817 HydrophobicContact CB-CZ2 4.33Å; L619-W817 HydrophobicContact CD1-CE3 4.44Å; L619-W817 HydrophobicContact CD1-CZ3 4.32Å; R622-W817 VanDerWaalsContact CZ-CA 3.45Å; R622-W817 VanDerWaalsContact NE-N 3.18Å; R622-W817 VanDerWaalsContact NH2-CD1 3.26Å; R622-W817 PolarHBondContact NH2-O 3.35Å; K813-W817 PolarHBondContact O-N 2.91Å; L814-W817 HydrophobicContact CD2-CE3 3.7Å; L814-W817 HydrophobicContact CD2-CZ3 4.12Å; L814-W817 VanDerWaalsContact O-CA 3.23Å; L814-W817 WeakPolarHBondContact O-CA 3.49Å; L814-W817 VanDerWaalsContact O-CB 3.27Å; L814-W817 WeakPolarHBondContact O-CB 3.33Å; I815-W817 VanDerWaalsContact C-N 3.34Å; I815-W817 CarbonylContact O-C 3.56Å; I815-W817 WeakPolarHBondContact O-CA 3.35Å; I815-W817 PolarHBondContact O-N 3.44Å; W817-E819 VanDerWaalsContact C-N 3.27Å; W817-E819 PolarHBondContact O-N 3.47Å; W817-E820 PolarHBondContact O-N 2.74Å; W817-M821 HydrophobicContact CD2-SD 4.45Å; W817-M821 VanDerWaalsContact CE2-SD 3.56Å; W817-M821 HydrophobicContact CG-CG 4.35Å; W817-M821 HydrophobicContact CH2-SD 4.48Å; W817-M821 HydrophobicContact CZ2-SD 3.62Å; W817-M821 PolarHBondContact NE1-SD 3.44Å; W817-M821 PolarHBondContact O-N 2.65Å
818	Q	52.9	Low	53.3	Low	49 Å²	49	68.4 Å²	68.4	23%	0.229	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-27.4	-165.5	-67.1	-176.2	-68.3	0	0	111.8	I815 A816 E820 M821 A822 F836	I815-Q818 PolarHBondContact O-N 3.08Å; A816-Q818 PolarHBondContact O-N 3.05Å; Q818-E820 VanDerWaalsContact C-N 3.29Å; Q818-E820 PolarHBondContact O-N 3.3Å; Q818-M821 PolarHBondContact O-N 3.4Å; Q818-M821 VanDerWaalsContact O-N 3.11Å; Q818-A822 PolarHBondContact O-N 2.78Å; Q818-F836 VanDerWaalsContact CD-CE2 3.44Å
819	E	52.1	Low	53.1	Low	143 Å²	143	73 Å²	73	67%	0.668	40%	0.396	S	S	*	.	H	α-helix	trans	-56.9	-43.9	176	-65.1	-176.5	165.5	0	0	110.8	A816 W817	A816-E819 PolarHBondContact O-N 3.31Å; W817-E819 VanDerWaalsContact C-N 3.27Å; W817-E819 PolarHBondContact O-N 3.47Å
820	E	50.5	Low	52.6	Low	122 Å²	122	75.1 Å²	75.1	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-80.7	-21.1	176.8	-58	174.9	158.1	0	0	113.5	R622 W817 Q818 A822	R622-E820 IonicContact CZ-OE2 3.08Å; R622-E820 IonicContact NE-OE2 3.65Å; R622-E820 IonicContact NH2-OE2 2.78Å; R622-E820 PolarHBondContact NH2-OE2 3.4Å; W817-E820 PolarHBondContact O-N 2.74Å; Q818-E820 VanDerWaalsContact C-N 3.29Å; Q818-E820 PolarHBondContact O-N 3.3Å; E820-A822 VanDerWaalsContact C-N 3.33Å
821	M	50.3	Low	52.1	Low	25 Å²	25	75.3 Å²	75.3	12%	0.123	40%	0.401	C	S	.	.	H	α-helix	trans	-70.3	-33.5	172.2	-70.6	-139.5	70.7	0	0	111.7	N614 W817 Q818 D823 S824 M827	N614-M821 WeakPolarHBondContact O-CE 3.26Å; W817-M821 HydrophobicContact CD2-SD 4.45Å; W817-M821 VanDerWaalsContact CE2-SD 3.56Å; W817-M821 HydrophobicContact CG-CG 4.35Å; W817-M821 HydrophobicContact CH2-SD 4.48Å; W817-M821 HydrophobicContact CZ2-SD 3.62Å; W817-M821 PolarHBondContact NE1-SD 3.44Å; W817-M821 PolarHBondContact O-N 2.65Å; Q818-M821 PolarHBondContact O-N 3.4Å; Q818-M821 VanDerWaalsContact O-N 3.11Å; M821-D823 VanDerWaalsContact C-N 3.26Å; M821-D823 PolarHBondContact O-N 3.26Å; M821-S824 PolarHBondContact O-N 2.87Å; M821-S824 VanDerWaalsContact O-N 3.11Å; M821-S824 PolarHBondContact O-OG 3.21Å; M821-M827 HydrophobicContact CE-CE 4.46Å
822	A	45	Very low	51.6	Low	36 Å²	36	80.9 Å²	80.9	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-35.3	176.2	0	0	0	0	0	112	Q818 E820 S824	Q818-A822 PolarHBondContact O-N 2.78Å; E820-A822 VanDerWaalsContact C-N 3.33Å; A822-S824 PolarHBondContact O-N 3.4Å
823	D	42.5	Very low	51.1	Low	152 Å²	152	77 Å²	77	81%	0.813	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.1	176.8	-87.1	-10.9	0	0	0	114	M821 G825	M821-D823 VanDerWaalsContact C-N 3.26Å; M821-D823 PolarHBondContact O-N 3.26Å; D823-G825 VanDerWaalsContact C-N 3.33Å; D823-G825 PolarHBondContact O-N 3.16Å
824	S	45.8	Very low	50.8	Low	72 Å²	72	77.7 Å²	77.7	50%	0.503	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	6.4	-179.2	67	0	0	0	0	115.2	M821 A822 E826	M821-S824 PolarHBondContact O-N 2.87Å; M821-S824 VanDerWaalsContact O-N 3.11Å; M821-S824 PolarHBondContact O-OG 3.21Å; A822-S824 PolarHBondContact O-N 3.4Å; S824-E826 VanDerWaalsContact C-N 3.29Å; S824-E826 PolarHBondContact O-N 2.86Å; S824-E826 VanDerWaalsContact O-N 3.16Å
825	G	43.4	Very low	50.5	Low	73 Å²	73	77.1 Å²	77.1	75%	0.753	42%	0.416	S	S	*	.	S	Bend	trans	74.4	0.1	162.2	0	0	0	0	0	117.5	D823	D823-G825 VanDerWaalsContact C-N 3.33Å; D823-G825 PolarHBondContact O-N 3.16Å
826	E	49.1	Very low	50.2	Low	164 Å²	164	76.2 Å²	76.2	77%	0.766	41%	0.41	S	S	*	.			trans	-118.1	1.8	-174.7	-71.4	-170.9	166.1	0	0	115.1	S824	S824-E826 VanDerWaalsContact C-N 3.29Å; S824-E826 PolarHBondContact O-N 2.86Å; S824-E826 VanDerWaalsContact O-N 3.16Å
827	M	48.9	Very low	50.1	Low	90 Å²	90	78.8 Å²	78.8	44%	0.443	42%	0.418	S	S	.	.	S	Bend	trans	-124.4	125.1	-178.6	-163.3	174.1	-74.3	0	0	112	M821 D829	M821-M827 HydrophobicContact CE-CE 4.46Å; M827-D829 PolarHBondContact O-N 3.22Å
828	L	52.8	Low	50.7	Low	107 Å²	107	83 Å²	83	56%	0.56	44%	0.442	S	S	*	.			trans	-60.6	121.9	-171.2	-71.4	150.8	0	0	0	112.9	E830 V831	L828-E830 PolarHBondContact O-N 3.31Å; L828-V831 PolarHBondContact O-N 3.23Å; L828-V831 VanDerWaalsContact O-N 3.09Å
829	D	49.5	Very low	51.7	Low	113 Å²	113	84.5 Å²	84.5	60%	0.604	45%	0.445	S	S	*	.	H	α-helix	trans	-48	-22.1	170.6	-87.4	-40.3	0	0	0	113.5	M827 R832 S833	M827-D829 PolarHBondContact O-N 3.22Å; D829-R832 WeakPolarHBondContact O-CB 3.27Å; D829-R832 PolarHBondContact O-N 3.45Å; D829-R832 IonicContact OD1-NH1 2.71Å; D829-S833 PolarHBondContact O-N 2.98Å
830	E	48.1	Very low	52.8	Low	91 Å²	91	78.3 Å²	78.3	43%	0.425	42%	0.417	S	S	.	.	H	α-helix	trans	-70.1	-34.3	-179.2	-149.7	177.9	-163.7	0	0	113.8	L828 R832 S833 Q834	L828-E830 PolarHBondContact O-N 3.31Å; E830-R832 VanDerWaalsContact C-N 3.27Å; E830-R832 PolarHBondContact O-N 3.31Å; E830-S833 PolarHBondContact O-OG 3.39Å; E830-Q834 PolarHBondContact O-N 2.66Å
831	V	50.4	Low	54	Low	18 Å²	18	73.3 Å²	73.3	11%	0.109	39%	0.393	C	S	.	.	H	α-helix	trans	-69.4	-32.5	173.6	-178.6	0	0	0	0	110.1	V561 L828 V835	V561-V831 HydrophobicContact CB-CG2 4.5Å; V561-V831 HydrophobicContact CG1-CG2 4.07Å; V561-V831 HydrophobicContact CG2-CG2 3.64Å; L828-V831 PolarHBondContact O-N 3.23Å; L828-V831 VanDerWaalsContact O-N 3.09Å; V831-V835 HydrophobicContact CG1-CG2 3.81Å; V831-V835 WeakPolarHBondContact O-CB 3.38Å; V831-V835 WeakPolarHBondContact O-CG2 3.46Å; V831-V835 PolarHBondContact O-N 3.06Å
832	R	47.4	Very low	55.4	Low	128 Å²	128	72.1 Å²	72.1	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-50.9	179.5	-161.8	-174.5	97.2	-180	12.8	111.3	D829 E830 F836	D829-R832 WeakPolarHBondContact O-CB 3.27Å; D829-R832 PolarHBondContact O-N 3.45Å; D829-R832 IonicContact OD1-NH1 2.71Å; E830-R832 VanDerWaalsContact C-N 3.27Å; E830-R832 PolarHBondContact O-N 3.31Å; R832-F836 PolarHBondContact O-N 2.97Å
833	S	51.8	Low	56.7	Low	51 Å²	51	70.4 Å²	70.4	36%	0.357	37%	0.373	S	S	.	.	I	π-helix	trans	-68.6	-38.5	-174.8	71.2	0	0	0	0	112.5	D829 E830	D829-S833 PolarHBondContact O-N 2.98Å; E830-S833 PolarHBondContact O-OG 3.39Å
834	Q	53.3	Low	58.5	Low	83 Å²	83	63.7 Å²	63.7	39%	0.388	34%	0.338	S	S	.	.	I	π-helix	trans	-79.7	-28.1	-174.6	-67.6	-173.7	4.8	0	0	114.2	V566 E830	V566-Q834 HydrophobicContact CG2-CB 4.48Å; E830-Q834 PolarHBondContact O-N 2.66Å
835	V	53.6	Low	59.9	Low	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-90.1	-36.6	-174.6	-175.1	0	0	0	0	111.7	V566 V831	V566-V835 HydrophobicContact CB-CG2 4.06Å; V566-V835 HydrophobicContact CG1-CB 4.43Å; V566-V835 HydrophobicContact CG1-CG2 3.68Å; V566-V835 HydrophobicContact CG2-CG2 3.75Å; V831-V835 HydrophobicContact CG1-CG2 3.81Å; V831-V835 WeakPolarHBondContact O-CB 3.38Å; V831-V835 WeakPolarHBondContact O-CG2 3.46Å; V831-V835 PolarHBondContact O-N 3.06Å
836	F	52.1	Low	61	Low	26 Å²	26	69 Å²	69	11%	0.114	34%	0.338	C	S	.	.	I	π-helix	trans	-120.2	-36.4	-166.7	-59.8	-80.2	0	0	0	115.5	L573 Q818 R832 D838 R839	L573-F836 HydrophobicContact CD1-CE1 3.63Å; L573-F836 HydrophobicContact CD1-CZ 3.32Å; Q818-F836 VanDerWaalsContact CD-CE2 3.44Å; R832-F836 PolarHBondContact O-N 2.97Å; F836-D838 PolarHBondContact O-N 2.98Å; F836-R839 PolarHBondContact O-N 2.99Å
837	D	57.5	Low	61.5	Low	95 Å²	95	61.3 Å²	61.3	51%	0.508	30%	0.303	S	S	.	.	I	π-helix	trans	-68.8	-21.3	-176.7	-69.2	-21.7	0	0	0	111.9	A854	D837-A854 VanDerWaalsContact O-CB 3.29Å; D837-A854 WeakPolarHBondContact O-CB 3.41Å
838	D	68.1	Low	62.3	Low	105 Å²	105	61.5 Å²	61.5	56%	0.561	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.6	-175.8	-74.4	-17.3	0	0	0	115	F836 P853 A854	F836-D838 PolarHBondContact O-N 2.98Å; D838-P853 CarbonylContact O-C 3.59Å; D838-P853 WeakPolarHBondContact O-CA 3.25Å; D838-A854 PolarHBondContact O-N 2.97Å
839	R	73.1	Confident	63	Low	80 Å²	80	57.9 Å²	57.9	30%	0.302	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.6	-175.2	-60	-161.1	179.4	-162.9	3.6	112.9	F836 D851 L852 M891	F836-R839 PolarHBondContact O-N 2.99Å; R839-D851 WeakPolarHBondContact CD-OD1 3.46Å; R839-D851 WeakPolarHBondContact CD-OD2 3.44Å; R839-D851 IonicContact CZ-OD1 2.78Å; R839-D851 IonicContact CZ-OD2 3.17Å; R839-D851 IonicContact NE-OD1 3.57Å; R839-D851 IonicContact NE-OD2 2.94Å; R839-D851 VanDerWaalsContact NH1-CG 3.34Å; R839-D851 IonicContact NH1-OD1 3.61Å; R839-D851 PolarHBondContact NH1-OD1 3.31Å; R839-D851 IonicContact NH1-OD2 3.39Å; R839-D851 PolarHBondContact NH1-OD2 2.66Å; R839-L852 CarbonylContact C-O 3.52Å; R839-L852 WeakPolarHBondContact CA-O 3.18Å; R839-M891 WeakPolarHBondContact O-CE 3.39Å
840	V	75.9	Confident	64.5	Low	13 Å²	13	53.1 Å²	53.1	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.5	172.1	-67.3	0	0	0	0	110.3	L852 A854 L889 M891	V840-L852 HydrophobicContact CG2-CB 3.99Å; V840-L852 PolarHBondContact N-O 3.39Å; V840-L852 PolarHBondContact O-N 3.05Å; V840-A854 HydrophobicContact CG1-CB 4.43Å; V840-L889 HydrophobicContact CG2-CB 4.39Å; V840-M891 HydrophobicContact CB-SD 4.3Å; V840-M891 HydrophobicContact CG1-CE 4.33Å; V840-M891 HydrophobicContact CG1-SD 4.47Å
841	Y	74.8	Confident	66	Low	17 Å²	17	50.5 Å²	50.5	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	178.6	-63.5	-77.6	0	0	0	109.9	R570 L574 V849 D851 M891 G892	R570-Y841 WeakPolarHBondContact CG-OH 3.47Å; L574-Y841 HydrophobicContact CD2-CD1 4Å; L574-Y841 HydrophobicContact CD2-CE1 3.72Å; Y841-V849 HydrophobicContact CD1-CG1 4Å; Y841-V849 HydrophobicContact CG-CG1 4.49Å; Y841-D851 HydrophobicContact CD1-CB 4.17Å; Y841-D851 HydrophobicContact CE1-CB 3.85Å; Y841-D851 WeakPolarHBondContact CE1-OD2 3.17Å; Y841-D851 PolarHBondContact OH-OD2 3.45Å; Y841-M891 HydrophobicContact CD2-CE 4.19Å; Y841-M891 HydrophobicContact CD2-SD 3.88Å; Y841-M891 PolarHBondContact N-SD 3.37Å; Y841-G892 PolarHBondContact O-N 3.36Å
842	V	80.5	Confident	67.6	Low	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.3	-176.3	-61.8	0	0	0	0	111.2	V850 L852 F861 L889 D893 I895	V842-V850 HydrophobicContact CG2-CB 4.12Å; V842-V850 PolarHBondContact N-O 2.98Å; V842-V850 PolarHBondContact O-N 3.28Å; V842-L852 HydrophobicContact CG2-CD1 3.74Å; V842-L852 HydrophobicContact CG2-CG 4.37Å; V842-F861 HydrophobicContact CG2-CD2 3.58Å; V842-F861 HydrophobicContact CG2-CE2 3.9Å; V842-L889 HydrophobicContact CG1-CB 3.91Å; V842-L889 HydrophobicContact CG1-CD1 4.19Å; V842-L889 HydrophobicContact CG1-CG 4.48Å; V842-D893 WeakPolarHBondContact CA-O 3.49Å; V842-D893 HydrophobicContact CG1-CB 4.39Å; V842-I895 HydrophobicContact CB-CD1 3.6Å; V842-I895 HydrophobicContact CB-CG1 4.3Å; V842-I895 HydrophobicContact CG1-CD1 3.96Å; V842-I895 HydrophobicContact CG2-CD1 3.6Å
843	F	72	Confident	69.4	Low	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.4	-172.3	-72.7	-96.5	0	0	0	111.7	V577 H804 R807 I808 L811 D848 V849 D893 Q894 I895	V577-F843 HydrophobicContact CG1-CZ 4.34Å; H804-F843 AromaticContact CE1-CD1 3.86Å; H804-F843 WeakPolarHBondContact NE2-CB 3.42Å; H804-F843 AromaticContact NE2-CD1 3.98Å; H804-F843 AromaticContact NE2-CG 3.85Å; R807-F843 HydrophobicContact CB-CE1 4.25Å; I808-F843 HydrophobicContact CB-CE2 4.32Å; I808-F843 HydrophobicContact CD1-CD2 4Å; I808-F843 HydrophobicContact CD1-CE2 4.4Å; I808-F843 HydrophobicContact CD1-CG 4.16Å; I808-F843 HydrophobicContact CG1-CD1 4.17Å; I808-F843 HydrophobicContact CG1-CD2 3.5Å; I808-F843 HydrophobicContact CG1-CE1 4.07Å; I808-F843 HydrophobicContact CG1-CE2 3.42Å; I808-F843 VanDerWaalsContact CG1-CE2 3.42Å; I808-F843 HydrophobicContact CG1-CG 3.89Å; I808-F843 HydrophobicContact CG1-CZ 3.7Å; L811-F843 HydrophobicContact CD1-CE2 4.05Å; L811-F843 HydrophobicContact CD1-CZ 3.8Å; F843-D848 WeakPolarHBondContact CA-O 3.33Å; F843-V849 HydrophobicContact CD1-CG2 3.84Å; F843-V849 HydrophobicContact CE1-CG2 3.4Å; F843-V849 VanDerWaalsContact CE1-CG2 3.4Å; F843-V849 HydrophobicContact CZ-CG2 3.82Å; F843-D893 PolarHBondContact N-O 3.15Å; F843-Q894 HydrophobicContact CB-CB 4.4Å; F843-Q894 WeakPolarHBondContact O-CA 3.47Å; F843-I895 PolarHBondContact O-N 3.45Å
844	T	81.6	Confident	70.9	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.067	24%	0.244	C	C	.	.			trans	-71.7	163	166.7	76.9	0	0	0	0	110.2	H804 K846 G847 D848 V850 F861 I865	H804-T844 PolarHBondContact CE1-O 3.13Å; T844-K846 PolarHBondContact O-N 3.28Å; T844-K846 PolarHBondContact OG1-N 3.48Å; T844-G847 PolarHBondContact O-N 3.49Å; T844-G847 PolarHBondContact OG1-N 2.88Å; T844-D848 HydrophobicContact CG2-CB 3.87Å; T844-D848 WeakPolarHBondContact CG2-O 3.42Å; T844-D848 PolarHBondContact N-O 2.97Å; T844-D848 PolarHBondContact OG1-N 3.19Å; T844-D848 VanDerWaalsContact OG1-N 3.11Å; T844-D848 PolarHBondContact OG1-OD2 3.41Å; T844-V850 HydrophobicContact CG2-CG2 3.86Å; T844-F861 HydrophobicContact CG2-CE2 4.25Å; T844-F861 HydrophobicContact CG2-CZ 3.94Å; T844-I865 HydrophobicContact CG2-CD1 4.07Å
845	P	73.3	Confident	72.5	Confident	71 Å²	71	43.2 Å²	43.2	46%	0.461	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.4	175.7	-22.6	36.5	0	0	0	113.2	I895 E896	P845-I895 WeakPolarHBondContact CD-O 3.16Å; P845-I895 VanDerWaalsContact CG-O 3.3Å; P845-I895 WeakPolarHBondContact CG-O 3.47Å; P845-E896 HydrophobicContact CB-CG 4.18Å; P845-E896 HydrophobicContact CG-CB 4.28Å; P845-E896 HydrophobicContact CG-CG 3.66Å
846	K	67.9	Low	74.3	Confident	185 Å²	185	43.3 Å²	43.3	80%	0.804	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.8	176.8	-66.5	-176.8	177.2	-178	0	113.6	T844	T844-K846 PolarHBondContact O-N 3.28Å; T844-K846 PolarHBondContact OG1-N 3.48Å
847	G	58.4	Low	76.3	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	100	3.3	-176.6	0	0	0	0	0	116.4	H804 T844	H804-G847 WeakPolarHBondContact CE1-CA 3.47Å; H804-G847 WeakPolarHBondContact ND1-CA 3.1Å; H804-G847 PolarHBondContact ND1-N 3.14Å; T844-G847 PolarHBondContact O-N 3.49Å; T844-G847 PolarHBondContact OG1-N 2.88Å
848	D	66.3	Low	78.1	Confident	94 Å²	94	37.6 Å²	37.6	50%	0.503	21%	0.205	S	C	.	.			trans	-73.4	136.1	174.4	-43.6	-54.7	0	0	0	109.3	F843 T844	F843-D848 WeakPolarHBondContact CA-O 3.33Å; T844-D848 HydrophobicContact CG2-CB 3.87Å; T844-D848 WeakPolarHBondContact CG2-O 3.42Å; T844-D848 PolarHBondContact N-O 2.97Å; T844-D848 PolarHBondContact OG1-N 3.19Å; T844-D848 VanDerWaalsContact OG1-N 3.11Å; T844-D848 PolarHBondContact OG1-OD2 3.41Å
849	V	68.3	Low	79.4	Confident	31 Å²	31	32.6 Å²	32.6	19%	0.188	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.1	176	-177.9	0	0	0	0	109.2	L574 V577 Y841 F843	L574-V849 HydrophobicContact CD2-CG1 4.46Å; V577-V849 HydrophobicContact CG1-CG2 3.67Å; Y841-V849 HydrophobicContact CD1-CG1 4Å; Y841-V849 HydrophobicContact CG-CG1 4.49Å; F843-V849 HydrophobicContact CD1-CG2 3.84Å; F843-V849 HydrophobicContact CE1-CG2 3.4Å; F843-V849 VanDerWaalsContact CE1-CG2 3.4Å; F843-V849 HydrophobicContact CZ-CG2 3.82Å
850	V	79.4	Confident	80.4	Confident	13 Å²	13	28.9 Å²	28.9	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124	176.7	-176.8	0	0	0	0	108.6	V842 T844 L852 F861 H864 I865	V842-V850 HydrophobicContact CG2-CB 4.12Å; V842-V850 PolarHBondContact N-O 2.98Å; V842-V850 PolarHBondContact O-N 3.28Å; T844-V850 HydrophobicContact CG2-CG2 3.86Å; V850-L852 HydrophobicContact CG1-CD2 4.11Å; V850-L852 HydrophobicContact CG1-CG 4.17Å; V850-F861 HydrophobicContact CB-CD2 4.23Å; V850-F861 HydrophobicContact CB-CE2 3.95Å; V850-F861 HydrophobicContact CG1-CD2 4.24Å; V850-F861 HydrophobicContact CG1-CE2 4.36Å; V850-F861 HydrophobicContact CG2-CD2 4.44Å; V850-F861 HydrophobicContact CG2-CE2 3.75Å; V850-H864 HydrophobicContact CG1-CB 4.49Å; V850-H864 WeakPolarHBondContact CG1-CD2 3.5Å; V850-I865 HydrophobicContact CG2-CD1 4.04Å
851	D	80.6	Confident	81.3	Confident	37 Å²	37	28.5 Å²	28.5	20%	0.198	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.6	173.4	178.9	-42.6	0	0	0	109.5	R839 Y841 H864	R839-D851 WeakPolarHBondContact CD-OD1 3.46Å; R839-D851 WeakPolarHBondContact CD-OD2 3.44Å; R839-D851 IonicContact CZ-OD1 2.78Å; R839-D851 IonicContact CZ-OD2 3.17Å; R839-D851 IonicContact NE-OD1 3.57Å; R839-D851 IonicContact NE-OD2 2.94Å; R839-D851 VanDerWaalsContact NH1-CG 3.34Å; R839-D851 IonicContact NH1-OD1 3.61Å; R839-D851 PolarHBondContact NH1-OD1 3.31Å; R839-D851 IonicContact NH1-OD2 3.39Å; R839-D851 PolarHBondContact NH1-OD2 2.66Å; Y841-D851 HydrophobicContact CD1-CB 4.17Å; Y841-D851 HydrophobicContact CE1-CB 3.85Å; Y841-D851 WeakPolarHBondContact CE1-OD2 3.17Å; Y841-D851 PolarHBondContact OH-OD2 3.45Å; D851-H864 PolarHBondContact O-CE1 2.89Å
852	L	84.4	Confident	82.3	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.7	174.7	-60.9	173.9	0	0	0	110.3	R839 V840 V842 V850 F861 H864 L889	R839-L852 CarbonylContact C-O 3.52Å; R839-L852 WeakPolarHBondContact CA-O 3.18Å; V840-L852 HydrophobicContact CG2-CB 3.99Å; V840-L852 PolarHBondContact N-O 3.39Å; V840-L852 PolarHBondContact O-N 3.05Å; V842-L852 HydrophobicContact CG2-CD1 3.74Å; V842-L852 HydrophobicContact CG2-CG 4.37Å; V850-L852 HydrophobicContact CG1-CD2 4.11Å; V850-L852 HydrophobicContact CG1-CG 4.17Å; L852-F861 HydrophobicContact CD1-CB 3.82Å; L852-F861 HydrophobicContact CD1-CD2 4.16Å; L852-H864 HydrophobicContact CD2-CB 3.72Å; L852-H864 WeakPolarHBondContact CD2-ND1 3.47Å; L852-L889 HydrophobicContact CD1-CD1 3.56Å
853	P	84.9	Confident	82.9	Confident	67 Å²	67	27.8 Å²	27.8	44%	0.435	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	148.6	170.8	-23.1	34	0	0	0	112.4	D838 S856 T919	D838-P853 CarbonylContact O-C 3.59Å; D838-P853 WeakPolarHBondContact O-CA 3.25Å; P853-S856 WeakPolarHBondContact CD-OG 3.49Å; P853-S856 WeakPolarHBondContact O-CB 3.45Å; P853-S856 PolarHBondContact O-N 3.38Å; P853-S856 VanDerWaalsContact O-N 3.1Å; P853-S856 PolarHBondContact O-OG 3.25Å; P853-T919 HydrophobicContact CG-CG2 4.19Å
854	A	82.5	Confident	83.9	Confident	42 Å²	42	31.1 Å²	31.1	35%	0.347	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	140	174.8	0	0	0	0	0	111.6	D837 D838 V840 S856	D837-A854 VanDerWaalsContact O-CB 3.29Å; D837-A854 WeakPolarHBondContact O-CB 3.41Å; D838-A854 PolarHBondContact O-N 2.97Å; V840-A854 HydrophobicContact CG1-CB 4.43Å; A854-S856 VanDerWaalsContact C-N 3.31Å
855	G	87.1	Confident	84.3	Confident	17 Å²	17	34.3 Å²	34.3	18%	0.175	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	7.7	-173	0	0	0	0	0	115	T918	G855-T918 PolarHBondContact O-OG1 2.98Å
856	S	92	Very high	85.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.191	C	C	.	.			trans	-63.9	150.8	170.7	-68.6	0	0	0	0	112.1	P853 A854 D860 L889	P853-S856 WeakPolarHBondContact CD-OG 3.49Å; P853-S856 WeakPolarHBondContact O-CB 3.45Å; P853-S856 PolarHBondContact O-N 3.38Å; P853-S856 VanDerWaalsContact O-N 3.1Å; P853-S856 PolarHBondContact O-OG 3.25Å; A854-S856 VanDerWaalsContact C-N 3.31Å; S856-D860 WeakPolarHBondContact CA-OD2 2.87Å; S856-L889 WeakPolarHBondContact O-CB 3.21Å; S856-L889 WeakPolarHBondContact O-CG 3.41Å; S856-L889 PolarHBondContact O-N 2.7Å
857	T	94.7	Very high	86.3	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.165	C	C	.	.			trans	-108.1	170.3	-178.7	73.3	0	0	0	0	112.7	L859 D860 F861 F885 L889 G915 Y916	T857-L859 PolarHBondContact O-N 2.94Å; T857-L859 VanDerWaalsContact O-N 3.14Å; T857-L859 PolarHBondContact OG1-N 2.81Å; T857-D860 PolarHBondContact N-OD2 3.15Å; T857-D860 WeakPolarHBondContact O-CB 3.2Å; T857-D860 PolarHBondContact O-N 3.29Å; T857-D860 PolarHBondContact OG1-N 3.11Å; T857-D860 PolarHBondContact OG1-OD2 3.35Å; T857-F861 PolarHBondContact O-N 3.44Å; T857-F885 WeakPolarHBondContact CB-O 3.41Å; T857-L889 VanDerWaalsContact O-CD1 3.27Å; T857-L889 WeakPolarHBondContact O-CD1 3.27Å; T857-G915 WeakPolarHBondContact CG2-O 3.16Å; T857-Y916 WeakPolarHBondContact CB-O 3.4Å; T857-Y916 WeakPolarHBondContact CG2-O 3.34Å; T857-Y916 PolarHBondContact OG1-O 3.31Å
858	P	95.1	Very high	87.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54	-29.2	169.9	-27.4	31.7	0	0	0	114.4	A862 A876 V883 Y887 L889 I897	P858-A862 PolarHBondContact O-N 2.96Å; P858-A876 HydrophobicContact CB-CB 3.43Å; P858-A876 VanDerWaalsContact CB-CB 3.43Å; P858-A876 HydrophobicContact CG-CB 4.04Å; P858-V883 HydrophobicContact CG-CG2 4.11Å; P858-Y887 WeakPolarHBondContact CD-O 3.4Å; P858-L889 HydrophobicContact CG-CD2 3.95Å; P858-I897 HydrophobicContact CB-CD1 4.41Å; P858-I897 WeakPolarHBondContact O-CD1 3.23Å
859	L	95.3	Very high	89.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.9	-41.2	174.4	-75.3	169.4	0	0	0	111.4	T857 F861 A862 Y863 C873 F885 W909 Y916 V917	T857-L859 PolarHBondContact O-N 2.94Å; T857-L859 VanDerWaalsContact O-N 3.14Å; T857-L859 PolarHBondContact OG1-N 2.81Å; L859-F861 VanDerWaalsContact C-N 3.28Å; L859-F861 PolarHBondContact O-N 3.43Å; L859-A862 PolarHBondContact O-N 3.4Å; L859-Y863 VanDerWaalsContact O-CD2 3.25Å; L859-Y863 WeakPolarHBondContact O-CD2 3.35Å; L859-Y863 PolarHBondContact O-N 3.49Å; L859-C873 HydrophobicContact CD2-CB 3.99Å; L859-F885 HydrophobicContact CD1-CB 3.91Å; L859-F885 HydrophobicContact CD1-CD1 4.46Å; L859-F885 HydrophobicContact CD1-CD2 4.08Å; L859-F885 HydrophobicContact CD1-CG 3.94Å; L859-F885 HydrophobicContact CD2-CD1 4.33Å; L859-F885 HydrophobicContact CD2-CE1 4.24Å; L859-F885 HydrophobicContact CD2-CE2 4.49Å; L859-F885 HydrophobicContact CD2-CG 4.5Å; L859-F885 HydrophobicContact CD2-CZ 4.31Å; L859-F885 HydrophobicContact CG-CB 4.23Å; L859-F885 HydrophobicContact CG-CD1 4.01Å; L859-F885 HydrophobicContact CG-CD2 4.41Å; L859-F885 HydrophobicContact CG-CE1 4.42Å; L859-F885 HydrophobicContact CG-CG 4Å; L859-W909 HydrophobicContact CD1-CD2 3.81Å; L859-W909 HydrophobicContact CD1-CE3 4.39Å; L859-W909 HydrophobicContact CD1-CG 3.93Å; L859-W909 HydrophobicContact CD1-CZ2 4.33Å; L859-W909 HydrophobicContact CD2-CD2 4.32Å; L859-W909 HydrophobicContact CD2-CE3 4.2Å; L859-W909 HydrophobicContact CD2-CH2 3.82Å; L859-W909 HydrophobicContact CD2-CZ2 3.95Å; L859-W909 HydrophobicContact CD2-CZ3 3.93Å; L859-Y916 HydrophobicContact CD1-CD1 4.18Å; L859-Y916 HydrophobicContact CD1-CG 4.47Å; L859-V917 HydrophobicContact CB-CG2 3.91Å; L859-V917 HydrophobicContact CD1-CG2 4.07Å
860	D	94.6	Very high	90.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	16%	0.157	C	C	.	.	H	α-helix	trans	-57.2	-44.2	173.1	-70.1	-58.9	0	0	0	111.1	S856 T857 Y863 H864 V917 T918 T919	S856-D860 WeakPolarHBondContact CA-OD2 2.87Å; T857-D860 PolarHBondContact N-OD2 3.15Å; T857-D860 WeakPolarHBondContact O-CB 3.2Å; T857-D860 PolarHBondContact O-N 3.29Å; T857-D860 PolarHBondContact OG1-N 3.11Å; T857-D860 PolarHBondContact OG1-OD2 3.35Å; D860-Y863 PolarHBondContact O-N 3.43Å; D860-H864 WeakPolarHBondContact O-CB 3.5Å; D860-H864 PolarHBondContact O-N 3.35Å; D860-V917 WeakPolarHBondContact OD1-CG1 3.43Å; D860-T918 PolarHBondContact OD1-N 3.45Å; D860-T918 PolarHBondContact OD2-N 2.73Å; D860-T918 PolarHBondContact OD2-OG1 3.37Å; D860-T919 HydrophobicContact CB-CG2 3.9Å; D860-T919 VanDerWaalsContact OD1-CB 3.24Å; D860-T919 WeakPolarHBondContact OD1-CB 3.44Å; D860-T919 VanDerWaalsContact OD1-CG2 3.32Å; D860-T919 WeakPolarHBondContact OD1-CG2 3.33Å; D860-T919 PolarHBondContact OD1-N 3.46Å; D860-T919 PolarHBondContact OD1-OG1 2.95Å
861	F	93.9	Very high	90.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-49.4	173.2	174.6	-100	0	0	0	112	V842 T844 V850 L852 T857 L859 Y863 H864 I865 L889 I895 I897	V842-F861 HydrophobicContact CG2-CD2 3.58Å; V842-F861 HydrophobicContact CG2-CE2 3.9Å; T844-F861 HydrophobicContact CG2-CE2 4.25Å; T844-F861 HydrophobicContact CG2-CZ 3.94Å; V850-F861 HydrophobicContact CB-CD2 4.23Å; V850-F861 HydrophobicContact CB-CE2 3.95Å; V850-F861 HydrophobicContact CG1-CD2 4.24Å; V850-F861 HydrophobicContact CG1-CE2 4.36Å; V850-F861 HydrophobicContact CG2-CD2 4.44Å; V850-F861 HydrophobicContact CG2-CE2 3.75Å; L852-F861 HydrophobicContact CD1-CB 3.82Å; L852-F861 HydrophobicContact CD1-CD2 4.16Å; T857-F861 PolarHBondContact O-N 3.44Å; L859-F861 VanDerWaalsContact C-N 3.28Å; L859-F861 PolarHBondContact O-N 3.43Å; F861-Y863 VanDerWaalsContact C-N 3.3Å; F861-Y863 PolarHBondContact O-N 2.91Å; F861-H864 WeakPolarHBondContact O-CA 3.49Å; F861-H864 WeakPolarHBondContact O-CB 3.24Å; F861-H864 PolarHBondContact O-N 3.5Å; F861-I865 HydrophobicContact CD1-CG1 4.34Å; F861-I865 HydrophobicContact CE1-CG1 3.99Å; F861-I865 HydrophobicContact CE2-CD1 4.03Å; F861-I865 HydrophobicContact CE2-CG1 4.19Å; F861-I865 HydrophobicContact CZ-CD1 3.95Å; F861-I865 HydrophobicContact CZ-CG1 3.93Å; F861-I865 WeakPolarHBondContact O-CG1 3.5Å; F861-I865 PolarHBondContact O-N 3.03Å; F861-L889 HydrophobicContact CB-CD1 3.93Å; F861-I895 HydrophobicContact CB-CD1 3.9Å; F861-I895 HydrophobicContact CD1-CB 3.97Å; F861-I895 HydrophobicContact CD1-CD1 3.96Å; F861-I895 HydrophobicContact CD1-CG2 3.59Å; F861-I895 HydrophobicContact CD2-CD1 3.74Å; F861-I895 HydrophobicContact CE1-CB 3.78Å; F861-I895 HydrophobicContact CE1-CD1 4.38Å; F861-I895 HydrophobicContact CE1-CG2 3.74Å; F861-I895 HydrophobicContact CE2-CD1 4.17Å; F861-I895 HydrophobicContact CG-CB 4.46Å; F861-I895 HydrophobicContact CG-CD1 3.59Å; F861-I895 HydrophobicContact CG-CG2 4.31Å; F861-I895 HydrophobicContact CZ-CB 4.12Å; F861-I895 HydrophobicContact CZ-CD1 4.46Å; F861-I897 HydrophobicContact CD1-CD1 3.99Å; F861-I897 HydrophobicContact CD1-CG1 3.75Å; F861-I897 HydrophobicContact CE1-CG1 3.9Å
862	A	95	Very high	91.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-43.5	178.4	0	0	0	0	0	112.1	P858 L859 H864 I865 H866 V869 I897	P858-A862 PolarHBondContact O-N 2.96Å; L859-A862 PolarHBondContact O-N 3.4Å; A862-H864 VanDerWaalsContact C-N 3.34Å; A862-I865 PolarHBondContact O-N 2.94Å; A862-H866 PolarHBondContact O-N 3.29Å; A862-H866 VanDerWaalsContact O-N 3.12Å; A862-V869 HydrophobicContact CB-CG1 4.27Å; A862-I897 HydrophobicContact CB-CD1 4.1Å; A862-I897 HydrophobicContact CB-CG1 4.06Å; A862-I897 HydrophobicContact CB-CG2 4.17Å
863	Y	94.2	Very high	92.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-25.9	176.1	-83.3	-68.6	0	0	0	114.1	L859 D860 F861 H871 W909 K925 I926	L859-Y863 VanDerWaalsContact O-CD2 3.25Å; L859-Y863 WeakPolarHBondContact O-CD2 3.35Å; L859-Y863 PolarHBondContact O-N 3.49Å; D860-Y863 PolarHBondContact O-N 3.43Å; F861-Y863 VanDerWaalsContact C-N 3.3Å; F861-Y863 PolarHBondContact O-N 2.91Å; Y863-H871 AromaticContact CE1-CD2 3.74Å; Y863-H871 AromaticContact CE1-NE2 3.77Å; Y863-H871 AromaticContact CZ-CD2 3.85Å; Y863-H871 PolarHBondContact OH-CD2 2.95Å; Y863-H871 PolarHBondContact OH-N 3Å; Y863-W909 HydrophobicContact CE2-CE3 4.34Å; Y863-W909 HydrophobicContact CE2-CZ3 4.37Å; Y863-K925 HydrophobicContact CD1-CB 3.84Å; Y863-K925 HydrophobicContact CD1-CD 3.83Å; Y863-K925 HydrophobicContact CE1-CB 4Å; Y863-K925 PolarHBondContact O-NZ 3.46Å; Y863-I926 HydrophobicContact CD2-CD1 4.34Å; Y863-I926 HydrophobicContact CE1-CG1 4.05Å; Y863-I926 HydrophobicContact CE2-CD1 3.63Å; Y863-I926 HydrophobicContact CE2-CG1 3.62Å; Y863-I926 VanDerWaalsContact OH-CG1 3.23Å; Y863-I926 WeakPolarHBondContact OH-CG1 3.44Å
864	H	91.9	Very high	92.5	Very high	71 Å²	71	30.9 Å²	30.9	33%	0.329	17%	0.165	S	C	.	.	H	α-helix	trans	-68.5	-46.8	172.6	-167.5	105.9	0	0	0	110.7	V850 D851 L852 D860 F861 A862	V850-H864 HydrophobicContact CG1-CB 4.49Å; V850-H864 WeakPolarHBondContact CG1-CD2 3.5Å; D851-H864 PolarHBondContact O-CE1 2.89Å; L852-H864 HydrophobicContact CD2-CB 3.72Å; L852-H864 WeakPolarHBondContact CD2-ND1 3.47Å; D860-H864 WeakPolarHBondContact O-CB 3.5Å; D860-H864 PolarHBondContact O-N 3.35Å; F861-H864 WeakPolarHBondContact O-CA 3.49Å; F861-H864 WeakPolarHBondContact O-CB 3.24Å; F861-H864 PolarHBondContact O-N 3.5Å; A862-H864 VanDerWaalsContact C-N 3.34Å
865	I	91.1	Very high	93	Very high	79 Å²	79	29.5 Å²	29.5	41%	0.405	16%	0.155	S	C	.	.	H	α-helix	trans	-59	-57.5	176.4	-62.6	-61.1	0	0	0	110.7	T844 V850 F861 A862 V869	T844-I865 HydrophobicContact CG2-CD1 4.07Å; V850-I865 HydrophobicContact CG2-CD1 4.04Å; F861-I865 HydrophobicContact CD1-CG1 4.34Å; F861-I865 HydrophobicContact CE1-CG1 3.99Å; F861-I865 HydrophobicContact CE2-CD1 4.03Å; F861-I865 HydrophobicContact CE2-CG1 4.19Å; F861-I865 HydrophobicContact CZ-CD1 3.95Å; F861-I865 HydrophobicContact CZ-CG1 3.93Å; F861-I865 WeakPolarHBondContact O-CG1 3.5Å; F861-I865 PolarHBondContact O-N 3.03Å; A862-I865 PolarHBondContact O-N 2.94Å; I865-V869 HydrophobicContact CG2-CG2 4.46Å
866	H	91.8	Very high	93.4	Very high	100 Å²	100	28.7 Å²	28.7	46%	0.463	15%	0.147	S	C	.	.			trans	-162.5	147.6	176.5	-162.7	-95.5	0	0	0	111.4	A862 D868 V869 G870	A862-H866 PolarHBondContact O-N 3.29Å; A862-H866 VanDerWaalsContact O-N 3.12Å; H866-D868 VanDerWaalsContact C-N 3.34Å; H866-D868 WeakPolarHBondContact ND1-CB 3.48Å; H866-D868 PolarHBondContact ND1-N 3.21Å; H866-D868 VanDerWaalsContact ND1-N 3.18Å; H866-D868 PolarHBondContact O-N 2.99Å; H866-V869 HydrophobicContact CB-CB 4.16Å; H866-V869 HydrophobicContact CB-CG2 3.85Å; H866-V869 PolarHBondContact O-N 2.92Å; H866-G870 PolarHBondContact O-N 3.42Å; H866-G870 VanDerWaalsContact O-N 3.13Å
867	S	90.3	Very high	93.5	Very high	39 Å²	39	31.8 Å²	31.8	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-57.3	-46.1	177.5	43.2	0	0	0	0	112.5	V869 G870 H871	S867-V869 PolarHBondContact O-N 3.5Å; S867-G870 PolarHBondContact O-N 2.86Å; S867-H871 VanDerWaalsContact O-CG 3.29Å; S867-H871 PolarHBondContact O-N 3.41Å; S867-H871 PolarHBondContact O-ND1 2.71Å; S867-H871 VanDerWaalsContact O-ND1 3.16Å
868	D	91.3	Very high	93.2	Very high	52 Å²	52	32.6 Å²	32.6	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	-66.8	-32.2	-179.6	-166.6	39.2	0	0	0	113	H866 H871 R872	H866-D868 VanDerWaalsContact C-N 3.34Å; H866-D868 WeakPolarHBondContact ND1-CB 3.48Å; H866-D868 PolarHBondContact ND1-N 3.21Å; H866-D868 VanDerWaalsContact ND1-N 3.18Å; H866-D868 PolarHBondContact O-N 2.99Å; D868-H871 PolarHBondContact O-N 3.35Å; D868-R872 WeakPolarHBondContact O-CB 3.48Å; D868-R872 VanDerWaalsContact O-CG 3.25Å; D868-R872 WeakPolarHBondContact O-CG 3.29Å; D868-R872 PolarHBondContact O-N 2.89Å; D868-R872 IonicContact OD1-CZ 3.39Å; D868-R872 IonicContact OD1-NE 2.79Å; D868-R872 PolarHBondContact OD1-NE 3.31Å; D868-R872 IonicContact OD1-NH2 3.19Å; D868-R872 PolarHBondContact OD1-NH2 2.91Å; D868-R872 IonicContact OD2-CZ 2.77Å; D868-R872 IonicContact OD2-NE 2.97Å; D868-R872 PolarHBondContact OD2-NE 3.32Å; D868-R872 VanDerWaalsContact OD2-NE 3.11Å; D868-R872 IonicContact OD2-NH1 3.11Å; D868-R872 IonicContact OD2-NH2 3.9Å; D868-R872 PolarHBondContact OD2-NH2 3.21Å
869	V	92.7	Very high	92.3	Very high	42 Å²	42	35.3 Å²	35.3	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-43.5	173.2	173	0	0	0	0	110	A862 I865 H866 S867 R872 C873 I897 T899	A862-V869 HydrophobicContact CB-CG1 4.27Å; I865-V869 HydrophobicContact CG2-CG2 4.46Å; H866-V869 HydrophobicContact CB-CB 4.16Å; H866-V869 HydrophobicContact CB-CG2 3.85Å; H866-V869 PolarHBondContact O-N 2.92Å; S867-V869 PolarHBondContact O-N 3.5Å; V869-R872 PolarHBondContact O-N 3.26Å; V869-C873 PolarHBondContact O-N 2.87Å; V869-C873 VanDerWaalsContact O-N 3.14Å; V869-I897 HydrophobicContact CG1-CB 4.49Å; V869-I897 HydrophobicContact CG1-CG2 4.03Å; V869-T899 HydrophobicContact CG1-CG2 4.08Å
870	G	93	Very high	91.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-47.8	172	0	0	0	0	0	112.9	H866 S867 R872 C873	H866-G870 PolarHBondContact O-N 3.42Å; H866-G870 VanDerWaalsContact O-N 3.13Å; S867-G870 PolarHBondContact O-N 2.86Å; G870-R872 PolarHBondContact O-N 3.24Å; G870-C873 VanDerWaalsContact O-CB 3.28Å; G870-C873 WeakPolarHBondContact O-CB 3.39Å; G870-C873 PolarHBondContact O-N 3.38Å
871	H	93.3	Very high	91.2	Very high	18 Å²	18	47.1 Å²	47.1	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-27.5	179.6	-64.6	140.8	0	0	0	113.6	Y863 S867 D868 P903 N904 K925 W929	Y863-H871 AromaticContact CE1-CD2 3.74Å; Y863-H871 AromaticContact CE1-NE2 3.77Å; Y863-H871 AromaticContact CZ-CD2 3.85Å; Y863-H871 PolarHBondContact OH-CD2 2.95Å; Y863-H871 PolarHBondContact OH-N 3Å; S867-H871 VanDerWaalsContact O-CG 3.29Å; S867-H871 PolarHBondContact O-N 3.41Å; S867-H871 PolarHBondContact O-ND1 2.71Å; S867-H871 VanDerWaalsContact O-ND1 3.16Å; D868-H871 PolarHBondContact O-N 3.35Å; H871-P903 HydrophobicContact CB-CB 3.64Å; H871-P903 CarbonylContact O-C 3.59Å; H871-P903 WeakPolarHBondContact O-CA 3.4Å; H871-N904 PolarHBondContact O-N 3.5Å; H871-K925 PolarHBondContact NE2-O 3.44Å; H871-W929 AromaticContact CD2-CD1 3.85Å; H871-W929 AromaticContact CD2-CG 3.85Å; H871-W929 AromaticContact CE1-CD1 3.61Å; H871-W929 AromaticContact CE1-CG 3.95Å; H871-W929 AromaticContact CG-CD1 3.82Å; H871-W929 AromaticContact ND1-CD1 3.66Å; H871-W929 VanDerWaalsContact NE2-CB 3.3Å; H871-W929 WeakPolarHBondContact NE2-CB 3.38Å; H871-W929 AromaticContact NE2-CD1 3.76Å; H871-W929 AromaticContact NE2-CG 3.67Å
872	R	94.2	Very high	91.2	Very high	82 Å²	82	53 Å²	53	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	2.4	178.6	-65.5	177.4	-166	-161.2	9.5	113.4	D868 V869 G870 I874 T899 Q900 K901 P903	D868-R872 WeakPolarHBondContact O-CB 3.48Å; D868-R872 VanDerWaalsContact O-CG 3.25Å; D868-R872 WeakPolarHBondContact O-CG 3.29Å; D868-R872 PolarHBondContact O-N 2.89Å; D868-R872 IonicContact OD1-CZ 3.39Å; D868-R872 IonicContact OD1-NE 2.79Å; D868-R872 PolarHBondContact OD1-NE 3.31Å; D868-R872 IonicContact OD1-NH2 3.19Å; D868-R872 PolarHBondContact OD1-NH2 2.91Å; D868-R872 IonicContact OD2-CZ 2.77Å; D868-R872 IonicContact OD2-NE 2.97Å; D868-R872 PolarHBondContact OD2-NE 3.32Å; D868-R872 VanDerWaalsContact OD2-NE 3.11Å; D868-R872 IonicContact OD2-NH1 3.11Å; D868-R872 IonicContact OD2-NH2 3.9Å; D868-R872 PolarHBondContact OD2-NH2 3.21Å; V869-R872 PolarHBondContact O-N 3.26Å; G870-R872 PolarHBondContact O-N 3.24Å; R872-I874 PolarHBondContact O-N 2.99Å; R872-T899 HydrophobicContact CB-CG2 4.35Å; R872-T899 CarbonylContact O-C 3.52Å; R872-T899 WeakPolarHBondContact O-CA 3.35Å; R872-Q900 HydrophobicContact CB-CG 4.41Å; R872-Q900 WeakPolarHBondContact CB-O 3.38Å; R872-Q900 WeakPolarHBondContact CD-O 3.34Å; R872-Q900 PolarHBondContact O-N 3.19Å; R872-K901 PolarHBondContact NH1-O 3.22Å; R872-K901 VanDerWaalsContact NH1-O 3.17Å; R872-P903 HydrophobicContact CG-CB 4.33Å
873	C	94.5	Very high	91.2	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125	-175.4	-172.6	0	0	0	0	111.5	L859 V869 G870 F885 I897	L859-C873 HydrophobicContact CD2-CB 3.99Å; V869-C873 PolarHBondContact O-N 2.87Å; V869-C873 VanDerWaalsContact O-N 3.14Å; G870-C873 VanDerWaalsContact O-CB 3.28Å; G870-C873 WeakPolarHBondContact O-CB 3.39Å; G870-C873 PolarHBondContact O-N 3.38Å; C873-F885 WeakPolarHBondContact SG-CE1 3.43Å; C873-I897 HydrophobicContact CB-CG2 4.23Å
874	I	94.1	Very high	91.2	Very high	91 Å²	91	58 Å²	58	47%	0.467	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-14.9	176.4	60.1	167.1	0	0	0	113.4	R872 F885 I898 Q900	R872-I874 PolarHBondContact O-N 2.99Å; I874-F885 VanDerWaalsContact C-CZ 3.49Å; I874-I898 HydrophobicContact CD1-CG2 3.8Å; I874-I898 HydrophobicContact CG1-CB 4.09Å; I874-I898 HydrophobicContact CG1-CG2 3.72Å; I874-I898 VanDerWaalsContact CG1-O 3.31Å; I874-I898 WeakPolarHBondContact CG1-O 3.5Å; I874-I898 PolarHBondContact N-O 3.29Å; I874-Q900 HydrophobicContact CD1-CB 4.47Å; I874-Q900 HydrophobicContact CG2-CB 3.73Å; I874-Q900 HydrophobicContact CG2-CG 3.76Å; I874-Q900 VanDerWaalsContact CG2-OE1 3.32Å
875	G	93.8	Very high	91.3	Very high	13 Å²	13	56.4 Å²	56.4	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	164.7	176.7	0	0	0	0	0	111.4	I898	G875-I898 PolarHBondContact N-O 3.44Å; G875-I898 WeakPolarHBondContact O-CB 3.45Å; G875-I898 PolarHBondContact O-N 2.98Å
876	A	94.9	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.1	175.3	0	0	0	0	0	110.3	P858 I882 V883 E896 I897	P858-A876 HydrophobicContact CB-CB 3.43Å; P858-A876 VanDerWaalsContact CB-CB 3.43Å; P858-A876 HydrophobicContact CG-CB 4.04Å; A876-I882 WeakPolarHBondContact O-CA 3.38Å; A876-V883 HydrophobicContact CB-CG2 4.15Å; A876-V883 PolarHBondContact O-N 3.41Å; A876-E896 CarbonylContact C-O 3.44Å; A876-E896 WeakPolarHBondContact CA-O 3.29Å; A876-I897 HydrophobicContact CB-CD1 3.94Å
877	K	93.2	Very high	91.5	Very high	66 Å²	66	53.7 Å²	53.7	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.5	168.7	-56.7	176.3	-179.4	176.6	0	110.1	R881 I882 I895 E896 I898	K877-R881 CarbonylContact C-O 3.59Å; K877-R881 WeakPolarHBondContact CA-O 3.46Å; K877-R881 WeakPolarHBondContact CB-O 3.36Å; K877-I882 HydrophobicContact CD-CG1 4.44Å; K877-I882 HydrophobicContact CG-CG1 3.82Å; K877-I895 WeakPolarHBondContact O-CA 3.36Å; K877-E896 HydrophobicContact CB-CB 4.2Å; K877-E896 PolarHBondContact N-O 3.13Å; K877-E896 PolarHBondContact O-N 2.93Å; K877-I898 HydrophobicContact CG-CD1 4.29Å
878	I	88.5	Confident	91.6	Very high	18 Å²	18	57.9 Å²	57.9	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.5	171.5	-62.4	178.4	0	0	0	108.4	G880 R881 V883 Y887 L889 D893 Q894 I895	I878-G880 PolarHBondContact O-N 3.39Å; I878-R881 PolarHBondContact N-O 2.75Å; I878-R881 PolarHBondContact O-N 2.68Å; I878-V883 HydrophobicContact CB-CG1 4Å; I878-V883 HydrophobicContact CB-CG2 4.49Å; I878-V883 HydrophobicContact CD1-CB 4.49Å; I878-V883 HydrophobicContact CD1-CG1 4.18Å; I878-V883 HydrophobicContact CD1-CG2 3.76Å; I878-V883 HydrophobicContact CG1-CG1 4.17Å; I878-V883 HydrophobicContact CG1-CG2 3.79Å; I878-Y887 HydrophobicContact CD1-CD1 3.42Å; I878-Y887 VanDerWaalsContact CD1-CD1 3.42Å; I878-Y887 HydrophobicContact CD1-CE1 3.19Å; I878-Y887 HydrophobicContact CD1-CG 4.44Å; I878-L889 HydrophobicContact CD1-CD2 3.72Å; I878-D893 HydrophobicContact CD1-CB 4.36Å; I878-D893 HydrophobicContact CG2-CB 3.74Å; I878-Q894 VanDerWaalsContact CA-O 3.27Å; I878-Q894 WeakPolarHBondContact CA-O 3.43Å; I878-I895 HydrophobicContact CG1-CG1 4.38Å
879	G	76.3	Confident	91.6	Very high	57 Å²	57	55.6 Å²	55.6	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.4	-175.5	0	0	0	0	0	113.1	R881 Q894	G879-R881 VanDerWaalsContact C-N 3.27Å; G879-R881 PolarHBondContact O-N 2.82Å; G879-Q894 PolarHBondContact N-O 2.72Å
880	G	80.2	Confident	91.1	Very high	48 Å²	48	59.2 Å²	59.2	50%	0.495	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-6.9	-176.6	0	0	0	0	0	116.1	I878	I878-G880 PolarHBondContact O-N 3.39Å
881	R	87.6	Confident	90.1	Very high	202 Å²	202	61.6 Å²	61.6	76%	0.762	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.1	177.8	-62.8	-177.6	-179.6	-173.2	0.5	111	K877 I878 G879 V883	K877-R881 CarbonylContact C-O 3.59Å; K877-R881 WeakPolarHBondContact CA-O 3.46Å; K877-R881 WeakPolarHBondContact CB-O 3.36Å; I878-R881 PolarHBondContact N-O 2.75Å; I878-R881 PolarHBondContact O-N 2.68Å; G879-R881 VanDerWaalsContact C-N 3.27Å; G879-R881 PolarHBondContact O-N 2.82Å; R881-V883 PolarHBondContact O-N 3.19Å
882	I	93.4	Very high	88.7	Confident	129 Å²	129	60.9 Å²	60.9	66%	0.662	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.4	175	-67.5	172.1	0	0	0	109.2	A876 K877	A876-I882 WeakPolarHBondContact O-CA 3.38Å; K877-I882 HydrophobicContact CD-CG1 4.44Å; K877-I882 HydrophobicContact CG-CG1 3.82Å
883	V	94.2	Very high	88.1	Confident	23 Å²	23	57.6 Å²	57.6	14%	0.139	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.4	176.3	-63.9	0	0	0	0	110.4	P858 A876 I878 R881 Y887	P858-V883 HydrophobicContact CG-CG2 4.11Å; A876-V883 HydrophobicContact CB-CG2 4.15Å; A876-V883 PolarHBondContact O-N 3.41Å; I878-V883 HydrophobicContact CB-CG1 4Å; I878-V883 HydrophobicContact CB-CG2 4.49Å; I878-V883 HydrophobicContact CD1-CB 4.49Å; I878-V883 HydrophobicContact CD1-CG1 4.18Å; I878-V883 HydrophobicContact CD1-CG2 3.76Å; I878-V883 HydrophobicContact CG1-CG1 4.17Å; I878-V883 HydrophobicContact CG1-CG2 3.79Å; R881-V883 PolarHBondContact O-N 3.19Å; V883-Y887 HydrophobicContact CB-CG 4.3Å
884	P	94.7	Very high	87.5	Confident	84 Å²	84	59.4 Å²	59.4	55%	0.545	32%	0.317	S	S	.	.			trans	-66.1	152.7	171.8	29.1	-34.4	0	0	0	110.7	T886 Y887	P884-T886 PolarHBondContact O-N 3.5Å; P884-T886 VanDerWaalsContact O-N 3.16Å; P884-Y887 VanDerWaalsContact O-CB 3.22Å; P884-Y887 WeakPolarHBondContact O-CB 3.33Å; P884-Y887 PolarHBondContact O-N 3.23Å
885	F	94.6	Very high	87.2	Confident	36 Å²	36	55 Å²	55	16%	0.158	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.6	177.1	-70.5	-36.3	0	0	0	114.3	T857 L859 C873 I874 Y887 W909 Y916	T857-F885 WeakPolarHBondContact CB-O 3.41Å; L859-F885 HydrophobicContact CD1-CB 3.91Å; L859-F885 HydrophobicContact CD1-CD1 4.46Å; L859-F885 HydrophobicContact CD1-CD2 4.08Å; L859-F885 HydrophobicContact CD1-CG 3.94Å; L859-F885 HydrophobicContact CD2-CD1 4.33Å; L859-F885 HydrophobicContact CD2-CE1 4.24Å; L859-F885 HydrophobicContact CD2-CE2 4.49Å; L859-F885 HydrophobicContact CD2-CG 4.5Å; L859-F885 HydrophobicContact CD2-CZ 4.31Å; L859-F885 HydrophobicContact CG-CB 4.23Å; L859-F885 HydrophobicContact CG-CD1 4.01Å; L859-F885 HydrophobicContact CG-CD2 4.41Å; L859-F885 HydrophobicContact CG-CE1 4.42Å; L859-F885 HydrophobicContact CG-CG 4Å; C873-F885 WeakPolarHBondContact SG-CE1 3.43Å; I874-F885 VanDerWaalsContact C-CZ 3.49Å; F885-Y887 VanDerWaalsContact C-N 3.29Å; F885-W909 HydrophobicContact CE2-CZ2 4.01Å; F885-Y916 HydrophobicContact CB-CD1 3.65Å; F885-Y916 HydrophobicContact CB-CE1 3.88Å
886	T	92.9	Very high	87.2	Confident	64 Å²	64	57.2 Å²	57.2	39%	0.393	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.7	176.1	53	0	0	0	0	113.3	P884 Q888 L914 Y916	P884-T886 PolarHBondContact O-N 3.5Å; P884-T886 VanDerWaalsContact O-N 3.16Å; T886-Q888 PolarHBondContact O-N 2.91Å; T886-L914 WeakPolarHBondContact CG2-O 3.28Å; T886-Y916 HydrophobicContact CG2-CD1 3.88Å; T886-Y916 HydrophobicContact CG2-CE1 3.76Å
887	Y	93.7	Very high	87.1	Confident	59 Å²	59	58.9 Å²	58.9	23%	0.231	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-61.5	127.5	173.4	176	-90.9	0	0	0	109.5	P858 I878 V883 P884 F885 L889 Q890 D893	P858-Y887 WeakPolarHBondContact CD-O 3.4Å; I878-Y887 HydrophobicContact CD1-CD1 3.42Å; I878-Y887 VanDerWaalsContact CD1-CD1 3.42Å; I878-Y887 HydrophobicContact CD1-CE1 3.19Å; I878-Y887 HydrophobicContact CD1-CG 4.44Å; V883-Y887 HydrophobicContact CB-CG 4.3Å; P884-Y887 VanDerWaalsContact O-CB 3.22Å; P884-Y887 WeakPolarHBondContact O-CB 3.33Å; P884-Y887 PolarHBondContact O-N 3.23Å; F885-Y887 VanDerWaalsContact C-N 3.29Å; Y887-L889 HydrophobicContact CD1-CD2 4.28Å; Y887-L889 HydrophobicContact CE1-CD2 4.34Å; Y887-Q890 WeakPolarHBondContact OH-CG 3.46Å; Y887-D893 WeakPolarHBondContact CE1-OD2 3.49Å; Y887-D893 PolarHBondContact OH-OD2 3.37Å
888	Q	92.5	Very high	87.2	Confident	126 Å²	126	58.6 Å²	58.6	59%	0.589	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-82.2	124.2	174	-68.6	-177.8	-18.5	0	0	109.1	T886 Q890	T886-Q888 PolarHBondContact O-N 2.91Å; Q888-Q890 PolarHBondContact O-N 3.06Å
889	L	90.5	Very high	87.4	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.026	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-62.1	131.1	-178.4	-64.8	176.3	0	0	0	110.8	V840 V842 L852 S856 T857 P858 F861 I878 Y887 I895	V840-L889 HydrophobicContact CG2-CB 4.39Å; V842-L889 HydrophobicContact CG1-CB 3.91Å; V842-L889 HydrophobicContact CG1-CD1 4.19Å; V842-L889 HydrophobicContact CG1-CG 4.48Å; L852-L889 HydrophobicContact CD1-CD1 3.56Å; S856-L889 WeakPolarHBondContact O-CB 3.21Å; S856-L889 WeakPolarHBondContact O-CG 3.41Å; S856-L889 PolarHBondContact O-N 2.7Å; T857-L889 VanDerWaalsContact O-CD1 3.27Å; T857-L889 WeakPolarHBondContact O-CD1 3.27Å; P858-L889 HydrophobicContact CG-CD2 3.95Å; F861-L889 HydrophobicContact CB-CD1 3.93Å; I878-L889 HydrophobicContact CD1-CD2 3.72Å; Y887-L889 HydrophobicContact CD1-CD2 4.28Å; Y887-L889 HydrophobicContact CE1-CD2 4.34Å; L889-I895 HydrophobicContact CD1-CD1 3.55Å; L889-I895 HydrophobicContact CD2-CD1 3.44Å; L889-I895 VanDerWaalsContact CD2-CD1 3.44Å; L889-I895 HydrophobicContact CD2-CG1 3.98Å; L889-I895 HydrophobicContact CG-CD1 4.09Å
890	Q	83.7	Confident	88.2	Confident	117 Å²	117	61.8 Å²	61.8	55%	0.547	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-102.4	163.5	178.9	-60.7	-174.4	-14.8	0	0	111	Y887 Q888 G892 D893	Y887-Q890 WeakPolarHBondContact OH-CG 3.46Å; Q888-Q890 PolarHBondContact O-N 3.06Å; Q890-G892 PolarHBondContact O-N 2.92Å; Q890-D893 WeakPolarHBondContact CB-OD2 3.39Å; Q890-D893 PolarHBondContact N-OD2 2.75Å; Q890-D893 WeakPolarHBondContact O-CB 3.48Å; Q890-D893 PolarHBondContact O-N 3.28Å
891	M	70.6	Confident	88.6	Confident	50 Å²	50	68.2 Å²	68.2	25%	0.246	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	120.8	177.2	-69.8	-65.5	-170.3	0	0	111.8	I815 R839 V840 Y841	I815-M891 HydrophobicContact CD1-CB 4.24Å; I815-M891 HydrophobicContact CD1-CG 4.19Å; I815-M891 HydrophobicContact CD1-SD 4.3Å; R839-M891 WeakPolarHBondContact O-CE 3.39Å; V840-M891 HydrophobicContact CB-SD 4.3Å; V840-M891 HydrophobicContact CG1-CE 4.33Å; V840-M891 HydrophobicContact CG1-SD 4.47Å; Y841-M891 HydrophobicContact CD2-CE 4.19Å; Y841-M891 HydrophobicContact CD2-SD 3.88Å; Y841-M891 PolarHBondContact N-SD 3.37Å
892	G	65.1	Low	88.6	Confident	3 Å²	3	65.4 Å²	65.4	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	11.6	177.7	0	0	0	0	0	115.3	Y841 Q890 Q894	Y841-G892 PolarHBondContact O-N 3.36Å; Q890-G892 PolarHBondContact O-N 2.92Å; G892-Q894 PolarHBondContact O-N 3.09Å
893	D	82.1	Confident	88.3	Confident	13 Å²	13	61 Å²	61	7%	0.07	31%	0.306	C	S	.	.			trans	-65.4	128.2	174.1	-79.7	-15	0	0	0	111	V842 F843 I878 Y887 Q890	V842-D893 WeakPolarHBondContact CA-O 3.49Å; V842-D893 HydrophobicContact CG1-CB 4.39Å; F843-D893 PolarHBondContact N-O 3.15Å; I878-D893 HydrophobicContact CD1-CB 4.36Å; I878-D893 HydrophobicContact CG2-CB 3.74Å; Y887-D893 WeakPolarHBondContact CE1-OD2 3.49Å; Y887-D893 PolarHBondContact OH-OD2 3.37Å; Q890-D893 WeakPolarHBondContact CB-OD2 3.39Å; Q890-D893 PolarHBondContact N-OD2 2.75Å; Q890-D893 WeakPolarHBondContact O-CB 3.48Å; Q890-D893 PolarHBondContact O-N 3.28Å
894	Q	80.8	Confident	88	Confident	43 Å²	43	65.1 Å²	65.1	20%	0.201	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-90.6	115	172	-175.5	-176.6	25.3	0	0	109.7	H804 I808 F843 I878 G879 G892	H804-Q894 PolarHBondContact CE1-NE2 2.9Å; H804-Q894 VanDerWaalsContact NE2-CD 3.3Å; H804-Q894 WeakPolarHBondContact NE2-CG 3.46Å; H804-Q894 PolarHBondContact NE2-NE2 2.9Å; I808-Q894 HydrophobicContact CD1-CB 4.33Å; F843-Q894 HydrophobicContact CB-CB 4.4Å; F843-Q894 WeakPolarHBondContact O-CA 3.47Å; I878-Q894 VanDerWaalsContact CA-O 3.27Å; I878-Q894 WeakPolarHBondContact CA-O 3.43Å; G879-Q894 PolarHBondContact N-O 2.72Å; G892-Q894 PolarHBondContact O-N 3.09Å
895	I	88.5	Confident	87.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.3	-169.6	-51.2	169.1	0	0	0	110.8	V842 F843 P845 F861 K877 I878 L889 I897	V842-I895 HydrophobicContact CB-CD1 3.6Å; V842-I895 HydrophobicContact CB-CG1 4.3Å; V842-I895 HydrophobicContact CG1-CD1 3.96Å; V842-I895 HydrophobicContact CG2-CD1 3.6Å; F843-I895 PolarHBondContact O-N 3.45Å; P845-I895 WeakPolarHBondContact CD-O 3.16Å; P845-I895 VanDerWaalsContact CG-O 3.3Å; P845-I895 WeakPolarHBondContact CG-O 3.47Å; F861-I895 HydrophobicContact CB-CD1 3.9Å; F861-I895 HydrophobicContact CD1-CB 3.97Å; F861-I895 HydrophobicContact CD1-CD1 3.96Å; F861-I895 HydrophobicContact CD1-CG2 3.59Å; F861-I895 HydrophobicContact CD2-CD1 3.74Å; F861-I895 HydrophobicContact CE1-CB 3.78Å; F861-I895 HydrophobicContact CE1-CD1 4.38Å; F861-I895 HydrophobicContact CE1-CG2 3.74Å; F861-I895 HydrophobicContact CE2-CD1 4.17Å; F861-I895 HydrophobicContact CG-CB 4.46Å; F861-I895 HydrophobicContact CG-CD1 3.59Å; F861-I895 HydrophobicContact CG-CG2 4.31Å; F861-I895 HydrophobicContact CZ-CB 4.12Å; F861-I895 HydrophobicContact CZ-CD1 4.46Å; K877-I895 WeakPolarHBondContact O-CA 3.36Å; I878-I895 HydrophobicContact CG1-CG1 4.38Å; L889-I895 HydrophobicContact CD1-CD1 3.55Å; L889-I895 HydrophobicContact CD2-CD1 3.44Å; L889-I895 VanDerWaalsContact CD2-CD1 3.44Å; L889-I895 HydrophobicContact CD2-CG1 3.98Å; L889-I895 HydrophobicContact CG-CD1 4.09Å; I895-I897 HydrophobicContact CG2-CD1 3.74Å; I895-I897 HydrophobicContact CG2-CG1 4.24Å
896	E	92.3	Very high	87.4	Confident	58 Å²	58	61.7 Å²	61.7	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119	166.9	-64.3	172.9	-167.1	0	0	109.7	P845 A876 K877	P845-E896 HydrophobicContact CB-CG 4.18Å; P845-E896 HydrophobicContact CG-CB 4.28Å; P845-E896 HydrophobicContact CG-CG 3.66Å; A876-E896 CarbonylContact C-O 3.44Å; A876-E896 WeakPolarHBondContact CA-O 3.29Å; K877-E896 HydrophobicContact CB-CB 4.2Å; K877-E896 PolarHBondContact N-O 3.13Å; K877-E896 PolarHBondContact O-N 2.93Å
897	I	94.4	Very high	86.9	Confident	36 Å²	36	66.3 Å²	66.3	19%	0.185	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.9	175.2	-59.6	-58.9	0	0	0	109.9	P858 F861 A862 V869 C873 A876 I895 T899	P858-I897 HydrophobicContact CB-CD1 4.41Å; P858-I897 WeakPolarHBondContact O-CD1 3.23Å; F861-I897 HydrophobicContact CD1-CD1 3.99Å; F861-I897 HydrophobicContact CD1-CG1 3.75Å; F861-I897 HydrophobicContact CE1-CG1 3.9Å; A862-I897 HydrophobicContact CB-CD1 4.1Å; A862-I897 HydrophobicContact CB-CG1 4.06Å; A862-I897 HydrophobicContact CB-CG2 4.17Å; V869-I897 HydrophobicContact CG1-CB 4.49Å; V869-I897 HydrophobicContact CG1-CG2 4.03Å; C873-I897 HydrophobicContact CB-CG2 4.23Å; A876-I897 HydrophobicContact CB-CD1 3.94Å; I895-I897 HydrophobicContact CG2-CD1 3.74Å; I895-I897 HydrophobicContact CG2-CG1 4.24Å; I897-T899 HydrophobicContact CG2-CG2 3.93Å
898	I	94.3	Very high	86.5	Confident	60 Å²	60	67.8 Å²	67.8	31%	0.308	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.5	174.1	-49.5	175.3	0	0	0	107.5	I874 G875 K877	I874-I898 HydrophobicContact CD1-CG2 3.8Å; I874-I898 HydrophobicContact CG1-CB 4.09Å; I874-I898 HydrophobicContact CG1-CG2 3.72Å; I874-I898 VanDerWaalsContact CG1-O 3.31Å; I874-I898 WeakPolarHBondContact CG1-O 3.5Å; I874-I898 PolarHBondContact N-O 3.29Å; G875-I898 PolarHBondContact N-O 3.44Å; G875-I898 WeakPolarHBondContact O-CB 3.45Å; G875-I898 PolarHBondContact O-N 2.98Å; K877-I898 HydrophobicContact CG-CD1 4.29Å
899	T	93.8	Very high	86.3	Confident	73 Å²	73	62.5 Å²	62.5	45%	0.448	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.3	-178.8	57.7	0	0	0	0	112.4	V869 R872 I897	V869-T899 HydrophobicContact CG1-CG2 4.08Å; R872-T899 HydrophobicContact CB-CG2 4.35Å; R872-T899 CarbonylContact O-C 3.52Å; R872-T899 WeakPolarHBondContact O-CA 3.35Å; I897-T899 HydrophobicContact CG2-CG2 3.93Å
900	Q	92.4	Very high	86.1	Confident	69 Å²	69	64 Å²	64	32%	0.322	31%	0.313	S	S	.	.			trans	-99.1	175.5	169.5	70	-175.8	1.5	0	0	111.8	R872 I874 Q902 N904	R872-Q900 HydrophobicContact CB-CG 4.41Å; R872-Q900 WeakPolarHBondContact CB-O 3.38Å; R872-Q900 WeakPolarHBondContact CD-O 3.34Å; R872-Q900 PolarHBondContact O-N 3.19Å; I874-Q900 HydrophobicContact CD1-CB 4.47Å; I874-Q900 HydrophobicContact CG2-CB 3.73Å; I874-Q900 HydrophobicContact CG2-CG 3.76Å; I874-Q900 VanDerWaalsContact CG2-OE1 3.32Å; Q900-Q902 WeakPolarHBondContact CG-O 3.45Å; Q900-Q902 PolarHBondContact NE2-O 2.84Å; Q900-N904 VanDerWaalsContact NE2-CB 3.3Å
901	K	88	Confident	86	Confident	183 Å²	183	61.5 Å²	61.5	80%	0.796	30%	0.304	S	S	*	.	S	Bend	trans	-71	-41.9	-178.5	-69.7	-174.7	-179.5	179.8	0	113.9	R872	R872-K901 PolarHBondContact NH1-O 3.22Å; R872-K901 VanDerWaalsContact NH1-O 3.17Å
902	Q	87.2	Confident	86.5	Confident	142 Å²	142	62.7 Å²	62.7	66%	0.664	32%	0.315	S	S	*	.	S	Bend	trans	-105.9	140.8	-174.3	-66.2	-67.3	-8.1	0	0	111.5	Q900 N904	Q900-Q902 WeakPolarHBondContact CG-O 3.45Å; Q900-Q902 PolarHBondContact NE2-O 2.84Å; Q902-N904 PolarHBondContact O-N 3.31Å
903	P	87.8	Confident	87.3	Confident	38 Å²	38	69.6 Å²	69.6	25%	0.247	35%	0.351	C	S	.	.			trans	-68.3	128.1	175.2	28.6	-33.2	0	0	0	110.5	H871 R872 W929	H871-P903 HydrophobicContact CB-CB 3.64Å; H871-P903 CarbonylContact O-C 3.59Å; H871-P903 WeakPolarHBondContact O-CA 3.4Å; R872-P903 HydrophobicContact CG-CB 4.33Å; P903-W929 HydrophobicContact CB-CZ2 4.4Å; P903-W929 WeakPolarHBondContact O-CZ2 3.46Å
904	N	87.7	Confident	87.4	Confident	108 Å²	108	72.6 Å²	72.6	58%	0.578	37%	0.367	S	S	*	.			trans	-152.5	65.8	178	-166.4	38.6	0	0	0	111.3	H871 Q900 Q902	H871-N904 PolarHBondContact O-N 3.5Å; Q900-N904 VanDerWaalsContact NE2-CB 3.3Å; Q902-N904 PolarHBondContact O-N 3.31Å
905	P	89	Confident	87.6	Confident	4 Å²	4	72.1 Å²	72.1	3%	0.026	37%	0.373	C	S	.	.			trans	-63.6	148.1	175.3	30.8	-37.5	0	0	0	111.5	W909 I926 W929 F930	P905-W909 VanDerWaalsContact CA-CZ3 3.42Å; P905-W909 HydrophobicContact CB-CE3 3.7Å; P905-W909 HydrophobicContact CB-CH2 4.36Å; P905-W909 HydrophobicContact CB-CZ3 3.49Å; P905-W909 VanDerWaalsContact CB-CZ3 3.49Å; P905-I926 HydrophobicContact CB-CG2 4.46Å; P905-W929 HydrophobicContact CG-CD2 3.47Å; P905-W929 VanDerWaalsContact CG-CD2 3.47Å; P905-W929 HydrophobicContact CG-CE3 3.24Å; P905-W929 HydrophobicContact CG-CG 4.06Å; P905-W929 HydrophobicContact CG-CH2 4.11Å; P905-W929 HydrophobicContact CG-CZ2 4.3Å; P905-W929 HydrophobicContact CG-CZ3 3.58Å; P905-F930 HydrophobicContact CG-CE2 4.38Å; P905-F930 HydrophobicContact CG-CZ 4.22Å; P905-F930 VanDerWaalsContact O-CZ 3.26Å; P905-F930 WeakPolarHBondContact O-CZ 3.36Å
906	S	87.1	Confident	87.8	Confident	44 Å²	44	75 Å²	75	31%	0.308	39%	0.385	S	S	.	.			trans	-84.3	145.1	174.2	-177.8	0	0	0	0	111.6	D908 W909	S906-D908 PolarHBondContact O-N 2.84Å; S906-D908 PolarHBondContact OG-N 3.43Å; S906-W909 WeakPolarHBondContact O-CB 3.44Å; S906-W909 PolarHBondContact O-N 2.89Å
907	R	82.8	Confident	87.7	Confident	161 Å²	161	72.3 Å²	72.3	61%	0.608	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65	-27.6	171.9	-74.5	-173.5	172.2	168.7	-3.5	111.8	W909 L910 F930 D934	R907-W909 PolarHBondContact O-N 3.18Å; R907-W909 VanDerWaalsContact O-N 3.16Å; R907-L910 WeakPolarHBondContact O-CB 3.45Å; R907-L910 PolarHBondContact O-N 2.85Å; R907-L910 VanDerWaalsContact O-N 3.07Å; R907-F930 HydrophobicContact CB-CZ 4.21Å; R907-F930 HydrophobicContact CG-CD1 4.18Å; R907-F930 HydrophobicContact CG-CD2 4.46Å; R907-F930 HydrophobicContact CG-CE1 3.56Å; R907-F930 HydrophobicContact CG-CE2 3.88Å; R907-F930 HydrophobicContact CG-CZ 3.4Å; R907-D934 IonicContact NH2-OD2 2.92Å; R907-D934 PolarHBondContact NH2-OD2 2.95Å
908	D	85.4	Confident	87.4	Confident	90 Å²	90	73.6 Å²	73.6	48%	0.481	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.9	-27.6	177.5	-68.2	-6.5	0	0	0	112.3	S906 L910 N911 L914 Y916	S906-D908 PolarHBondContact O-N 2.84Å; S906-D908 PolarHBondContact OG-N 3.43Å; D908-L910 PolarHBondContact O-N 2.83Å; D908-N911 PolarHBondContact O-N 3.12Å; D908-N911 VanDerWaalsContact O-N 3.1Å; D908-L914 HydrophobicContact CB-CD1 3.81Å; D908-Y916 HydrophobicContact CB-CD2 4.34Å; D908-Y916 HydrophobicContact CB-CE2 4.04Å
909	W	89.6	Confident	87.1	Confident	16 Å²	16	71.9 Å²	71.9	6%	0.061	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-67	-19.2	179.1	-58.1	-10.8	0	0	0	113.5	L859 Y863 F885 P905 S906 R907 Y916 V917 I926	L859-W909 HydrophobicContact CD1-CD2 3.81Å; L859-W909 HydrophobicContact CD1-CE3 4.39Å; L859-W909 HydrophobicContact CD1-CG 3.93Å; L859-W909 HydrophobicContact CD1-CZ2 4.33Å; L859-W909 HydrophobicContact CD2-CD2 4.32Å; L859-W909 HydrophobicContact CD2-CE3 4.2Å; L859-W909 HydrophobicContact CD2-CH2 3.82Å; L859-W909 HydrophobicContact CD2-CZ2 3.95Å; L859-W909 HydrophobicContact CD2-CZ3 3.93Å; Y863-W909 HydrophobicContact CE2-CE3 4.34Å; Y863-W909 HydrophobicContact CE2-CZ3 4.37Å; F885-W909 HydrophobicContact CE2-CZ2 4.01Å; P905-W909 VanDerWaalsContact CA-CZ3 3.42Å; P905-W909 HydrophobicContact CB-CE3 3.7Å; P905-W909 HydrophobicContact CB-CH2 4.36Å; P905-W909 HydrophobicContact CB-CZ3 3.49Å; P905-W909 VanDerWaalsContact CB-CZ3 3.49Å; S906-W909 WeakPolarHBondContact O-CB 3.44Å; S906-W909 PolarHBondContact O-N 2.89Å; R907-W909 PolarHBondContact O-N 3.18Å; R907-W909 VanDerWaalsContact O-N 3.16Å; W909-Y916 AromaticContact CD1-CD2 3.93Å; W909-Y916 AromaticContact CD1-CG 3.76Å; W909-V917 HydrophobicContact CB-CG2 4Å; W909-I926 HydrophobicContact CB-CD1 3.86Å; W909-I926 HydrophobicContact CE3-CD1 4.16Å
910	L	84.6	Confident	86.8	Confident	35 Å²	35	72.5 Å²	72.5	18%	0.183	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-79	-20.1	175.3	-68.6	176	0	0	0	112.9	R907 D908 P912 I926 H927 F930	R907-L910 WeakPolarHBondContact O-CB 3.45Å; R907-L910 PolarHBondContact O-N 2.85Å; R907-L910 VanDerWaalsContact O-N 3.07Å; D908-L910 PolarHBondContact O-N 2.83Å; L910-P912 WeakPolarHBondContact O-CD 3.36Å; L910-I926 HydrophobicContact CD1-CG2 4.15Å; L910-I926 HydrophobicContact CD2-CB 3.64Å; L910-I926 HydrophobicContact CD2-CG2 3.48Å; L910-I926 VanDerWaalsContact CD2-CG2 3.48Å; L910-I926 HydrophobicContact CG-CB 4.36Å; L910-I926 HydrophobicContact CG-CG2 3.62Å; L910-H927 HydrophobicContact CD2-CB 4.49Å; L910-H927 VanDerWaalsContact CD2-CD2 3.41Å; L910-H927 WeakPolarHBondContact CD2-CD2 3.41Å; L910-F930 HydrophobicContact CD1-CD2 3.89Å; L910-F930 HydrophobicContact CD1-CE2 4.17Å
911	N	83.5	Confident	86.6	Confident	65 Å²	65	75.4 Å²	75.4	35%	0.348	39%	0.39	S	S	.	.			trans	-79.9	109.1	-178.8	-174.8	-6.9	0	0	0	110	D908 N913 L914	D908-N911 PolarHBondContact O-N 3.12Å; D908-N911 VanDerWaalsContact O-N 3.1Å; N911-N913 PolarHBondContact O-N 2.98Å; N911-N913 VanDerWaalsContact O-N 3.16Å; N911-N913 WeakPolarHBondContact OD1-CB 3.09Å; N911-N913 PolarHBondContact OD1-N 3.02Å; N911-L914 HydrophobicContact CB-CD1 3.91Å; N911-L914 HydrophobicContact CB-CG 4.12Å; N911-L914 PolarHBondContact O-N 2.8Å; N911-L914 VanDerWaalsContact O-N 3.16Å
912	P	81	Confident	86.6	Confident	75 Å²	75	66.7 Å²	66.7	49%	0.487	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.6	-178.3	27	-34.5	0	0	0	112.6	L910 L914 G915	L910-P912 WeakPolarHBondContact O-CD 3.36Å; P912-L914 VanDerWaalsContact C-N 3.26Å; P912-L914 PolarHBondContact O-N 2.83Å; P912-G915 PolarHBondContact O-N 3.47Å
913	N	81.3	Confident	86.7	Confident	148 Å²	148	63.7 Å²	63.7	79%	0.791	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.4	-179.1	-61.7	-24.2	0	0	0	113.2	N911 G915	N911-N913 PolarHBondContact O-N 2.98Å; N911-N913 VanDerWaalsContact O-N 3.16Å; N911-N913 WeakPolarHBondContact OD1-CB 3.09Å; N911-N913 PolarHBondContact OD1-N 3.02Å; N913-G915 VanDerWaalsContact C-N 3.34Å
914	L	83.3	Confident	86.6	Confident	77 Å²	77	65.3 Å²	65.3	40%	0.403	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-84.4	-10.5	177.5	-66.6	174.3	0	0	0	112.7	T886 D908 N911 P912 Y916	T886-L914 WeakPolarHBondContact CG2-O 3.28Å; D908-L914 HydrophobicContact CB-CD1 3.81Å; N911-L914 HydrophobicContact CB-CD1 3.91Å; N911-L914 HydrophobicContact CB-CG 4.12Å; N911-L914 PolarHBondContact O-N 2.8Å; N911-L914 VanDerWaalsContact O-N 3.16Å; P912-L914 VanDerWaalsContact C-N 3.26Å; P912-L914 PolarHBondContact O-N 2.83Å; L914-Y916 VanDerWaalsContact C-N 3.32Å; L914-Y916 HydrophobicContact CB-CD2 3.6Å; L914-Y916 HydrophobicContact CB-CE2 3.79Å; L914-Y916 HydrophobicContact CD1-CD2 4.27Å; L914-Y916 HydrophobicContact CD1-CE2 4.04Å; L914-Y916 HydrophobicContact CG-CE2 4.46Å; L914-Y916 PolarHBondContact O-N 2.72Å
915	G	86	Confident	86.7	Confident	32 Å²	32	62.4 Å²	62.4	33%	0.33	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	25.9	175.6	0	0	0	0	0	114.7	T857 P912 N913	T857-G915 WeakPolarHBondContact CG2-O 3.16Å; P912-G915 PolarHBondContact O-N 3.47Å; N913-G915 VanDerWaalsContact C-N 3.34Å
916	Y	91.7	Very high	86.7	Confident	61 Å²	61	62.2 Å²	62.2	24%	0.239	33%	0.328	C	S	.	.	S	Bend	trans	-83.3	-41.1	178.6	-77	-61.3	0	0	0	114	T857 L859 F885 T886 D908 W909 L914	T857-Y916 WeakPolarHBondContact CB-O 3.4Å; T857-Y916 WeakPolarHBondContact CG2-O 3.34Å; T857-Y916 PolarHBondContact OG1-O 3.31Å; L859-Y916 HydrophobicContact CD1-CD1 4.18Å; L859-Y916 HydrophobicContact CD1-CG 4.47Å; F885-Y916 HydrophobicContact CB-CD1 3.65Å; F885-Y916 HydrophobicContact CB-CE1 3.88Å; T886-Y916 HydrophobicContact CG2-CD1 3.88Å; T886-Y916 HydrophobicContact CG2-CE1 3.76Å; D908-Y916 HydrophobicContact CB-CD2 4.34Å; D908-Y916 HydrophobicContact CB-CE2 4.04Å; W909-Y916 AromaticContact CD1-CD2 3.93Å; W909-Y916 AromaticContact CD1-CG 3.76Å; L914-Y916 VanDerWaalsContact C-N 3.32Å; L914-Y916 HydrophobicContact CB-CD2 3.6Å; L914-Y916 HydrophobicContact CB-CE2 3.79Å; L914-Y916 HydrophobicContact CD1-CD2 4.27Å; L914-Y916 HydrophobicContact CD1-CE2 4.04Å; L914-Y916 HydrophobicContact CG-CE2 4.46Å; L914-Y916 PolarHBondContact O-N 2.72Å
917	V	91.3	Very high	86.6	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	33%	0.333	C	S	.	.			trans	-139.3	109.5	-175.8	-176.3	0	0	0	0	108.4	L859 D860 W909 R923 I926	L859-V917 HydrophobicContact CB-CG2 3.91Å; L859-V917 HydrophobicContact CD1-CG2 4.07Å; D860-V917 WeakPolarHBondContact OD1-CG1 3.43Å; W909-V917 HydrophobicContact CB-CG2 4Å; V917-R923 HydrophobicContact CB-CG 4.09Å; V917-R923 HydrophobicContact CG1-CG 3.79Å; V917-I926 HydrophobicContact CB-CD1 4.45Å; V917-I926 HydrophobicContact CG1-CD1 4.36Å; V917-I926 HydrophobicContact CG2-CD1 3.79Å
918	T	88.3	Confident	86.6	Confident	63 Å²	63	58.4 Å²	58.4	39%	0.387	32%	0.317	S	S	.	.			trans	-87.4	-37.9	-174.7	-41.7	0	0	0	0	109.9	G855 D860 R923	G855-T918 PolarHBondContact O-OG1 2.98Å; D860-T918 PolarHBondContact OD1-N 3.45Å; D860-T918 PolarHBondContact OD2-N 2.73Å; D860-T918 PolarHBondContact OD2-OG1 3.37Å; T918-R923 PolarHBondContact O-NH2 3.33Å
919	T	88.3	Confident	86.6	Confident	23 Å²	23	56.1 Å²	56.1	14%	0.141	30%	0.302	C	S	.	.			trans	-71.3	141.4	-174.2	68.7	0	0	0	0	112.4	P853 D860 R921 G922 R923	P853-T919 HydrophobicContact CG-CG2 4.19Å; D860-T919 HydrophobicContact CB-CG2 3.9Å; D860-T919 VanDerWaalsContact OD1-CB 3.24Å; D860-T919 WeakPolarHBondContact OD1-CB 3.44Å; D860-T919 VanDerWaalsContact OD1-CG2 3.32Å; D860-T919 WeakPolarHBondContact OD1-CG2 3.33Å; D860-T919 PolarHBondContact OD1-N 3.46Å; D860-T919 PolarHBondContact OD1-OG1 2.95Å; T919-R921 VanDerWaalsContact C-N 3.3Å; T919-R921 PolarHBondContact O-N 3.35Å; T919-G922 PolarHBondContact OG1-N 2.65Å; T919-G922 VanDerWaalsContact OG1-N 3.15Å; T919-R923 PolarHBondContact O-N 3.19Å; T919-R923 PolarHBondContact O-NE 2.97Å
920	S	86.8	Confident	86.1	Confident	86 Å²	86	56.5 Å²	56.5	60%	0.601	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-38.3	173.1	58.9	0	0	0	0	111.3	G922 R923 S924	S920-G922 PolarHBondContact O-N 3.25Å; S920-R923 PolarHBondContact O-N 3.27Å; S920-S924 WeakPolarHBondContact O-CB 3.38Å; S920-S924 PolarHBondContact O-N 3.38Å; S920-S924 PolarHBondContact O-OG 3.11Å
921	R	87.7	Confident	85.6	Confident	130 Å²	130	59.6 Å²	59.6	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-46.1	178.1	-172.4	-178.6	-175.1	-161.1	-0.9	112.2	T919 K925	T919-R921 VanDerWaalsContact C-N 3.3Å; T919-R921 PolarHBondContact O-N 3.35Å; R921-K925 WeakPolarHBondContact O-CG 3.35Å; R921-K925 PolarHBondContact O-N 2.88Å
922	G	87.5	Confident	85.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-51.8	176.5	0	0	0	0	0	111.7	T919 S920 S924 K925 I926	T919-G922 PolarHBondContact OG1-N 2.65Å; T919-G922 VanDerWaalsContact OG1-N 3.15Å; S920-G922 PolarHBondContact O-N 3.25Å; G922-S924 PolarHBondContact O-N 3.45Å; G922-K925 PolarHBondContact O-N 2.95Å; G922-K925 VanDerWaalsContact O-N 3.14Å; G922-I926 WeakPolarHBondContact O-CG1 3.34Å; G922-I926 PolarHBondContact O-N 3.33Å
923	R	89.2	Confident	84.7	Confident	80 Å²	80	67 Å²	67	30%	0.302	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-43.6	178.6	-73.5	-176.7	-75.5	165.7	-9.3	112.7	V917 T918 T919 S920 K925 I926 H927	V917-R923 HydrophobicContact CB-CG 4.09Å; V917-R923 HydrophobicContact CG1-CG 3.79Å; T918-R923 PolarHBondContact O-NH2 3.33Å; T919-R923 PolarHBondContact O-N 3.19Å; T919-R923 PolarHBondContact O-NE 2.97Å; S920-R923 PolarHBondContact O-N 3.27Å; R923-K925 VanDerWaalsContact C-N 3.34Å; R923-K925 PolarHBondContact O-N 3.35Å; R923-I926 PolarHBondContact O-N 3.2Å; R923-H927 PolarHBondContact O-CD2 2.86Å; R923-H927 PolarHBondContact O-N 3.29Å
924	S	87.2	Confident	84.1	Confident	72 Å²	72	61.1 Å²	61.1	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-38.9	176.7	-67.2	0	0	0	0	112.9	S920 G922 A928	S920-S924 WeakPolarHBondContact O-CB 3.38Å; S920-S924 PolarHBondContact O-N 3.38Å; S920-S924 PolarHBondContact O-OG 3.11Å; G922-S924 PolarHBondContact O-N 3.45Å; S924-A928 WeakPolarHBondContact O-CB 3.39Å; S924-A928 PolarHBondContact O-N 3.41Å
925	K	89.8	Confident	83.5	Confident	47 Å²	47	62.6 Å²	62.6	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-34.4	175.9	-74.6	177.9	174	-171.3	0	112.6	Y863 H871 R921 G922 R923 W929	Y863-K925 HydrophobicContact CD1-CB 3.84Å; Y863-K925 HydrophobicContact CD1-CD 3.83Å; Y863-K925 HydrophobicContact CE1-CB 4Å; Y863-K925 PolarHBondContact O-NZ 3.46Å; H871-K925 PolarHBondContact NE2-O 3.44Å; R921-K925 WeakPolarHBondContact O-CG 3.35Å; R921-K925 PolarHBondContact O-N 2.88Å; G922-K925 PolarHBondContact O-N 2.95Å; G922-K925 VanDerWaalsContact O-N 3.14Å; R923-K925 VanDerWaalsContact C-N 3.34Å; R923-K925 PolarHBondContact O-N 3.35Å; K925-W929 PolarHBondContact O-N 3.28Å
926	I	88.4	Confident	82.9	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.9	-47.9	174.4	-63.7	160.2	0	0	0	110.1	Y863 P905 W909 L910 V917 G922 R923 A928 W929 F930	Y863-I926 HydrophobicContact CD2-CD1 4.34Å; Y863-I926 HydrophobicContact CE1-CG1 4.05Å; Y863-I926 HydrophobicContact CE2-CD1 3.63Å; Y863-I926 HydrophobicContact CE2-CG1 3.62Å; Y863-I926 VanDerWaalsContact OH-CG1 3.23Å; Y863-I926 WeakPolarHBondContact OH-CG1 3.44Å; P905-I926 HydrophobicContact CB-CG2 4.46Å; W909-I926 HydrophobicContact CB-CD1 3.86Å; W909-I926 HydrophobicContact CE3-CD1 4.16Å; L910-I926 HydrophobicContact CD1-CG2 4.15Å; L910-I926 HydrophobicContact CD2-CB 3.64Å; L910-I926 HydrophobicContact CD2-CG2 3.48Å; L910-I926 VanDerWaalsContact CD2-CG2 3.48Å; L910-I926 HydrophobicContact CG-CB 4.36Å; L910-I926 HydrophobicContact CG-CG2 3.62Å; V917-I926 HydrophobicContact CB-CD1 4.45Å; V917-I926 HydrophobicContact CG1-CD1 4.36Å; V917-I926 HydrophobicContact CG2-CD1 3.79Å; G922-I926 WeakPolarHBondContact O-CG1 3.34Å; G922-I926 PolarHBondContact O-N 3.33Å; R923-I926 PolarHBondContact O-N 3.2Å; I926-A928 VanDerWaalsContact C-N 3.31Å; I926-A928 PolarHBondContact O-N 3.13Å; I926-W929 WeakPolarHBondContact O-CB 3.38Å; I926-W929 PolarHBondContact O-N 2.83Å; I926-F930 HydrophobicContact CG2-CD2 3.74Å; I926-F930 HydrophobicContact CG2-CE2 3.47Å; I926-F930 VanDerWaalsContact CG2-CE2 3.47Å; I926-F930 WeakPolarHBondContact O-CD2 3.15Å; I926-F930 PolarHBondContact O-N 3.48Å; I926-F930 VanDerWaalsContact O-N 3.14Å
927	H	84.3	Confident	82.3	Confident	92 Å²	92	71 Å²	71	43%	0.426	34%	0.34	S	S	.	.	H	α-helix	trans	-55.6	-45.5	174.5	-86.8	-65.8	0	0	0	111.6	L910 R923 W929 F930 R931	L910-H927 HydrophobicContact CD2-CB 4.49Å; L910-H927 VanDerWaalsContact CD2-CD2 3.41Å; L910-H927 WeakPolarHBondContact CD2-CD2 3.41Å; R923-H927 PolarHBondContact O-CD2 2.86Å; R923-H927 PolarHBondContact O-N 3.29Å; H927-W929 VanDerWaalsContact C-N 3.26Å; H927-W929 PolarHBondContact O-N 3.35Å; H927-F930 PolarHBondContact O-N 3.02Å; H927-R931 WeakPolarHBondContact O-CB 3.48Å; H927-R931 VanDerWaalsContact O-CG 3.27Å; H927-R931 WeakPolarHBondContact O-CG 3.19Å; H927-R931 PolarHBondContact O-N 2.86Å
928	A	84	Confident	81.6	Confident	32 Å²	32	72 Å²	72	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-32.7	177.5	0	0	0	0	0	113.4	S924 I926 K932	S924-A928 WeakPolarHBondContact O-CB 3.39Å; S924-A928 PolarHBondContact O-N 3.41Å; I926-A928 VanDerWaalsContact C-N 3.31Å; I926-A928 PolarHBondContact O-N 3.13Å; A928-K932 WeakPolarHBondContact O-CG 3.36Å; A928-K932 PolarHBondContact O-N 2.95Å
929	W	85	Confident	81.4	Confident	42 Å²	42	70.3 Å²	70.3	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-71.8	-47.9	178	-174.4	94.2	0	0	0	111.9	H871 P903 P905 K925 I926 H927 R931 K932 Q933	H871-W929 AromaticContact CD2-CD1 3.85Å; H871-W929 AromaticContact CD2-CG 3.85Å; H871-W929 AromaticContact CE1-CD1 3.61Å; H871-W929 AromaticContact CE1-CG 3.95Å; H871-W929 AromaticContact CG-CD1 3.82Å; H871-W929 AromaticContact ND1-CD1 3.66Å; H871-W929 VanDerWaalsContact NE2-CB 3.3Å; H871-W929 WeakPolarHBondContact NE2-CB 3.38Å; H871-W929 AromaticContact NE2-CD1 3.76Å; H871-W929 AromaticContact NE2-CG 3.67Å; P903-W929 HydrophobicContact CB-CZ2 4.4Å; P903-W929 WeakPolarHBondContact O-CZ2 3.46Å; P905-W929 HydrophobicContact CG-CD2 3.47Å; P905-W929 VanDerWaalsContact CG-CD2 3.47Å; P905-W929 HydrophobicContact CG-CE3 3.24Å; P905-W929 HydrophobicContact CG-CG 4.06Å; P905-W929 HydrophobicContact CG-CH2 4.11Å; P905-W929 HydrophobicContact CG-CZ2 4.3Å; P905-W929 HydrophobicContact CG-CZ3 3.58Å; K925-W929 PolarHBondContact O-N 3.28Å; I926-W929 WeakPolarHBondContact O-CB 3.38Å; I926-W929 PolarHBondContact O-N 2.83Å; H927-W929 VanDerWaalsContact C-N 3.26Å; H927-W929 PolarHBondContact O-N 3.35Å; W929-R931 VanDerWaalsContact C-N 3.32Å; W929-R931 PolarHBondContact O-N 3.47Å; W929-K932 PolarHBondContact O-N 2.98Å; W929-K932 VanDerWaalsContact O-N 3.17Å; W929-Q933 PolarHBondContact O-N 3.28Å
930	F	80.1	Confident	81.2	Confident	24 Å²	24	75.3 Å²	75.3	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-39.2	175.8	-74	-63.8	0	0	0	112.1	P905 R907 L910 I926 H927 K932 Q933 D934	P905-F930 HydrophobicContact CG-CE2 4.38Å; P905-F930 HydrophobicContact CG-CZ 4.22Å; P905-F930 VanDerWaalsContact O-CZ 3.26Å; P905-F930 WeakPolarHBondContact O-CZ 3.36Å; R907-F930 HydrophobicContact CB-CZ 4.21Å; R907-F930 HydrophobicContact CG-CD1 4.18Å; R907-F930 HydrophobicContact CG-CD2 4.46Å; R907-F930 HydrophobicContact CG-CE1 3.56Å; R907-F930 HydrophobicContact CG-CE2 3.88Å; R907-F930 HydrophobicContact CG-CZ 3.4Å; L910-F930 HydrophobicContact CD1-CD2 3.89Å; L910-F930 HydrophobicContact CD1-CE2 4.17Å; I926-F930 HydrophobicContact CG2-CD2 3.74Å; I926-F930 HydrophobicContact CG2-CE2 3.47Å; I926-F930 VanDerWaalsContact CG2-CE2 3.47Å; I926-F930 WeakPolarHBondContact O-CD2 3.15Å; I926-F930 PolarHBondContact O-N 3.48Å; I926-F930 VanDerWaalsContact O-N 3.14Å; H927-F930 PolarHBondContact O-N 3.02Å; F930-K932 VanDerWaalsContact C-N 3.28Å; F930-K932 PolarHBondContact O-N 2.92Å; F930-Q933 PolarHBondContact O-N 3.24Å; F930-D934 PolarHBondContact O-N 3.38Å
931	R	72.9	Confident	80.9	Confident	100 Å²	100	73 Å²	73	38%	0.377	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-38.3	174.3	-76.9	-171.8	-63.5	161.8	-2.4	113	H927 W929 R935 D984	H927-R931 WeakPolarHBondContact O-CB 3.48Å; H927-R931 VanDerWaalsContact O-CG 3.27Å; H927-R931 WeakPolarHBondContact O-CG 3.19Å; H927-R931 PolarHBondContact O-N 2.86Å; W929-R931 VanDerWaalsContact C-N 3.32Å; W929-R931 PolarHBondContact O-N 3.47Å; R931-R935 PolarHBondContact O-N 3.42Å; R931-D984 WeakPolarHBondContact CD-OD1 3.38Å; R931-D984 WeakPolarHBondContact CD-OD2 3.36Å; R931-D984 IonicContact CZ-OD1 3.75Å; R931-D984 IonicContact CZ-OD2 3.63Å; R931-D984 IonicContact NE-OD1 3.81Å; R931-D984 IonicContact NE-OD2 3.76Å; R931-D984 VanDerWaalsContact NH1-CG 3.32Å; R931-D984 IonicContact NH1-OD1 3.26Å; R931-D984 PolarHBondContact NH1-OD1 2.9Å; R931-D984 IonicContact NH1-OD2 2.74Å; R931-D984 PolarHBondContact NH1-OD2 3.26Å
932	K	72.9	Confident	80.7	Confident	174 Å²	174	66.9 Å²	66.9	76%	0.757	32%	0.322	S	S	*	.	H	α-helix	trans	-73.2	-38.9	177.5	-77.1	-177	179.6	-172.6	0	112.7	A928 W929 F930	A928-K932 WeakPolarHBondContact O-CG 3.36Å; A928-K932 PolarHBondContact O-N 2.95Å; W929-K932 PolarHBondContact O-N 2.98Å; W929-K932 VanDerWaalsContact O-N 3.17Å; F930-K932 VanDerWaalsContact C-N 3.28Å; F930-K932 PolarHBondContact O-N 2.92Å
933	Q	72.5	Confident	80.7	Confident	121 Å²	121	73.1 Å²	73.1	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-69.7	-36.9	-178.2	-165.5	-175.4	14.9	0	0	112.2	W929 F930	W929-Q933 PolarHBondContact O-N 3.28Å; F930-Q933 PolarHBondContact O-N 3.24Å
934	D	68.4	Low	80.6	Confident	25 Å²	25	75.4 Å²	75.4	13%	0.134	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11.3	-177.4	-72.8	-40.7	0	0	0	112.9	R907 F930 D936 K937 N938	R907-D934 IonicContact NH2-OD2 2.92Å; R907-D934 PolarHBondContact NH2-OD2 2.95Å; F930-D934 PolarHBondContact O-N 3.38Å; D934-D936 VanDerWaalsContact C-N 3.31Å; D934-D936 PolarHBondContact O-N 3.08Å; D934-D936 VanDerWaalsContact O-N 3.15Å; D934-K937 CarbonylContact O-C 3.45Å; D934-K937 WeakPolarHBondContact O-CA 3.45Å; D934-K937 WeakPolarHBondContact O-CB 3.12Å; D934-K937 PolarHBondContact O-N 3.02Å; D934-N938 WeakPolarHBondContact O-CB 3.22Å; D934-N938 VanDerWaalsContact O-CG 3.22Å; D934-N938 PolarHBondContact O-N 3.16Å; D934-N938 PolarHBondContact O-ND2 2.83Å
935	R	71.4	Confident	80.4	Confident	108 Å²	108	75.4 Å²	75.4	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-49.3	-48.1	-172.5	-174.9	174.3	177	132.4	-2	112.7	R931 K937 N938 I939 A978	R931-R935 PolarHBondContact O-N 3.42Å; R935-K937 PolarHBondContact O-N 2.81Å; R935-N938 PolarHBondContact O-N 2.84Å; R935-I939 HydrophobicContact CG-CD1 4.02Å; R935-I939 VanDerWaalsContact O-CG1 3.28Å; R935-I939 WeakPolarHBondContact O-CG1 3.47Å; R935-I939 PolarHBondContact O-N 3.48Å; R935-A978 HydrophobicContact CG-CB 4.33Å
936	D	74	Confident	80.3	Confident	126 Å²	126	73.3 Å²	73.3	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-66.9	-37.4	-179.2	-59.6	-23.3	0	0	0	112.5	D934 L940	D934-D936 VanDerWaalsContact C-N 3.31Å; D934-D936 PolarHBondContact O-N 3.08Å; D934-D936 VanDerWaalsContact O-N 3.15Å; D936-L940 PolarHBondContact O-N 2.91Å
937	K	77.9	Confident	80.1	Confident	143 Å²	143	76.3 Å²	76.3	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-69	-38.2	174.4	-69.6	-179.3	-177.5	168.9	0	111.6	D934 R935 L940 A941	D934-K937 CarbonylContact O-C 3.45Å; D934-K937 WeakPolarHBondContact O-CA 3.45Å; D934-K937 WeakPolarHBondContact O-CB 3.12Å; D934-K937 PolarHBondContact O-N 3.02Å; R935-K937 PolarHBondContact O-N 2.81Å; K937-L940 PolarHBondContact O-N 3.04Å; K937-A941 WeakPolarHBondContact O-CB 3.45Å; K937-A941 PolarHBondContact O-N 3.32Å
938	N	77.8	Confident	80	Confident	23 Å²	23	75.9 Å²	75.9	12%	0.123	36%	0.361	C	S	.	.	H	α-helix	trans	-68.2	-37.7	178.4	-67.6	-19.9	0	0	0	110.9	D934 R935 G942 G981	D934-N938 WeakPolarHBondContact O-CB 3.22Å; D934-N938 VanDerWaalsContact O-CG 3.22Å; D934-N938 PolarHBondContact O-N 3.16Å; D934-N938 PolarHBondContact O-ND2 2.83Å; R935-N938 PolarHBondContact O-N 2.84Å; N938-G942 WeakPolarHBondContact O-CA 3.3Å; N938-G942 PolarHBondContact O-N 2.98Å; N938-G981 WeakPolarHBondContact O-CA 3.32Å
939	I	83.1	Confident	79.9	Confident	29 Å²	29	77.6 Å²	77.6	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-47.7	173.9	-68.7	165.6	0	0	0	110.2	R935 G942 R943 D974 L977 A978	R935-I939 HydrophobicContact CG-CD1 4.02Å; R935-I939 VanDerWaalsContact O-CG1 3.28Å; R935-I939 WeakPolarHBondContact O-CG1 3.47Å; R935-I939 PolarHBondContact O-N 3.48Å; I939-G942 PolarHBondContact O-N 3.02Å; I939-R943 WeakPolarHBondContact O-CB 3.39Å; I939-R943 PolarHBondContact O-N 2.87Å; I939-D974 HydrophobicContact CD1-CB 4.13Å; I939-L977 HydrophobicContact CG2-CB 4.27Å; I939-L977 HydrophobicContact CG2-CD1 4.34Å; I939-A978 HydrophobicContact CG1-CB 3.77Å
940	L	83.6	Confident	79.9	Confident	128 Å²	128	75.9 Å²	75.9	67%	0.67	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-48.5	178.2	-77.4	162	0	0	0	112.4	D936 K937 R943 Q944	D936-L940 PolarHBondContact O-N 2.91Å; K937-L940 PolarHBondContact O-N 3.04Å; L940-R943 PolarHBondContact O-N 3.01Å; L940-Q944 PolarHBondContact O-N 3.14Å
941	A	81.2	Confident	80	Confident	38 Å²	38	82.2 Å²	82.2	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-43.9	178.8	0	0	0	0	0	111.9	K937 R943 Q944 I945	K937-A941 WeakPolarHBondContact O-CB 3.45Å; K937-A941 PolarHBondContact O-N 3.32Å; A941-R943 VanDerWaalsContact C-N 3.28Å; A941-R943 PolarHBondContact O-N 3.06Å; A941-Q944 PolarHBondContact O-N 2.86Å; A941-I945 WeakPolarHBondContact O-CD1 3.27Å; A941-I945 VanDerWaalsContact O-CG1 3.24Å; A941-I945 WeakPolarHBondContact O-CG1 3.39Å; A941-I945 PolarHBondContact O-N 2.76Å
942	G	83.9	Confident	80.3	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-33.8	179.4	0	0	0	0	0	112.8	N938 I939 L946 L977	N938-G942 WeakPolarHBondContact O-CA 3.3Å; N938-G942 PolarHBondContact O-N 2.98Å; I939-G942 PolarHBondContact O-N 3.02Å; G942-L946 VanDerWaalsContact O-CB 3.3Å; G942-L946 WeakPolarHBondContact O-CB 3.35Å; G942-L946 PolarHBondContact O-N 2.62Å; G942-L977 WeakPolarHBondContact CA-O 3.04Å
943	R	87.5	Confident	80.4	Confident	131 Å²	131	79.3 Å²	79.3	49%	0.494	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-49.3	174.4	-168.2	169.9	-171	157.1	5.5	111.8	I939 L940 A941 I945 L946 D947 L977	I939-R943 WeakPolarHBondContact O-CB 3.39Å; I939-R943 PolarHBondContact O-N 2.87Å; L940-R943 PolarHBondContact O-N 3.01Å; A941-R943 VanDerWaalsContact C-N 3.28Å; A941-R943 PolarHBondContact O-N 3.06Å; R943-I945 PolarHBondContact O-N 3.48Å; R943-L946 PolarHBondContact O-N 3.1Å; R943-D947 WeakPolarHBondContact O-CB 3.2Å; R943-D947 PolarHBondContact O-N 3.37Å; R943-L977 HydrophobicContact CB-CD1 4.11Å; R943-L977 HydrophobicContact CB-CD2 4.14Å; R943-L977 HydrophobicContact CG-CD1 4.26Å
944	Q	85.8	Confident	80.7	Confident	129 Å²	129	76.8 Å²	76.8	60%	0.603	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-48	178.9	-171.7	172.8	0.5	0	0	111.6	L940 A941 L946 D947 D948	L940-Q944 PolarHBondContact O-N 3.14Å; A941-Q944 PolarHBondContact O-N 2.86Å; Q944-L946 VanDerWaalsContact C-N 3.32Å; Q944-L946 PolarHBondContact O-N 3.15Å; Q944-D947 PolarHBondContact O-N 3.28Å; Q944-D948 VanDerWaalsContact O-CG 3.22Å; Q944-D948 PolarHBondContact O-N 3.11Å; Q944-D948 VanDerWaalsContact O-N 3.09Å
945	I	84.3	Confident	81.2	Confident	72 Å²	72	76.6 Å²	76.6	37%	0.369	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-39.8	-179.7	-63.2	164.5	0	0	0	111.6	A941 R943 I980 L987	A941-I945 WeakPolarHBondContact O-CD1 3.27Å; A941-I945 VanDerWaalsContact O-CG1 3.24Å; A941-I945 WeakPolarHBondContact O-CG1 3.39Å; A941-I945 PolarHBondContact O-N 2.76Å; R943-I945 PolarHBondContact O-N 3.48Å; I945-I980 HydrophobicContact CB-CG2 4.34Å; I945-I980 HydrophobicContact CG2-CG2 4.29Å; I945-L987 HydrophobicContact CG2-CD1 3.51Å; I945-L987 HydrophobicContact CG2-CD2 3.53Å; I945-L987 HydrophobicContact CG2-CG 4.11Å
946	L	86.2	Confident	81.7	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-71.4	-44	-179.9	-177.5	55.3	0	0	0	112	G942 R943 Q944 E949 L950 L957 L977 I980 M990	G942-L946 VanDerWaalsContact O-CB 3.3Å; G942-L946 WeakPolarHBondContact O-CB 3.35Å; G942-L946 PolarHBondContact O-N 2.62Å; R943-L946 PolarHBondContact O-N 3.1Å; Q944-L946 VanDerWaalsContact C-N 3.32Å; Q944-L946 PolarHBondContact O-N 3.15Å; L946-E949 PolarHBondContact O-N 3.47Å; L946-L950 HydrophobicContact CD1-CD1 3.96Å; L946-L950 HydrophobicContact CD1-CD2 4.47Å; L946-L950 HydrophobicContact CD1-CG 3.9Å; L946-L950 HydrophobicContact CD2-CD1 4.41Å; L946-L950 HydrophobicContact CG-CD1 3.79Å; L946-L950 HydrophobicContact CG-CG 4.19Å; L946-L950 WeakPolarHBondContact O-CB 3.2Å; L946-L950 VanDerWaalsContact O-CG 3.27Å; L946-L950 WeakPolarHBondContact O-CG 3.38Å; L946-L950 PolarHBondContact O-N 3.33Å; L946-L957 HydrophobicContact CD2-CD1 3.58Å; L946-L957 HydrophobicContact CG-CD1 4.1Å; L946-L977 HydrophobicContact CB-CD2 4.47Å; L946-L977 HydrophobicContact CD2-CD2 4Å; L946-I980 HydrophobicContact CB-CD1 4.18Å; L946-I980 HydrophobicContact CD1-CD1 4.32Å; L946-I980 HydrophobicContact CD2-CD1 3.78Å; L946-I980 HydrophobicContact CG-CD1 4.32Å; L946-M990 HydrophobicContact CD1-CE 3.26Å; L946-M990 HydrophobicContact CG-CE 4.47Å
947	D	85.1	Confident	82.1	Confident	62 Å²	62	69.8 Å²	69.8	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-44.8	-179.4	-76.2	-20.9	0	0	0	111	R943 Q944 E949 L950 E951	R943-D947 WeakPolarHBondContact O-CB 3.2Å; R943-D947 PolarHBondContact O-N 3.37Å; Q944-D947 PolarHBondContact O-N 3.28Å; D947-E949 VanDerWaalsContact C-N 3.26Å; D947-E949 PolarHBondContact O-N 3.2Å; D947-L950 PolarHBondContact O-N 2.69Å; D947-E951 WeakPolarHBondContact O-CB 3.49Å; D947-E951 PolarHBondContact O-N 3.47Å
948	D	82.9	Confident	82.3	Confident	84 Å²	84	70.7 Å²	70.7	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-56.5	-39.2	178.5	-70.6	-13.9	0	0	0	112.2	Q944 H952	Q944-D948 VanDerWaalsContact O-CG 3.22Å; Q944-D948 PolarHBondContact O-N 3.11Å; Q944-D948 VanDerWaalsContact O-N 3.09Å; D948-H952 PolarHBondContact O-N 3.48Å
949	E	81	Confident	82.5	Confident	68 Å²	68	73.9 Å²	73.9	32%	0.318	38%	0.381	S	S	.	.	H	α-helix	trans	-86.3	-31.5	-174.4	-149.3	64.2	175.6	0	0	113	L946 D947 E951 H952 L953 L987 V991	L946-E949 PolarHBondContact O-N 3.47Å; D947-E949 VanDerWaalsContact C-N 3.26Å; D947-E949 PolarHBondContact O-N 3.2Å; E949-E951 VanDerWaalsContact C-N 3.31Å; E949-H952 PolarHBondContact O-N 2.85Å; E949-L953 WeakPolarHBondContact O-CG 3.5Å; E949-L953 PolarHBondContact O-N 2.83Å; E949-L987 HydrophobicContact CB-CD2 3.94Å; E949-L987 HydrophobicContact CG-CD2 3.83Å; E949-V991 HydrophobicContact CB-CG2 4.44Å; E949-V991 HydrophobicContact CG-CG2 3.47Å; E949-V991 VanDerWaalsContact CG-CG2 3.47Å
950	L	84.2	Confident	82.5	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-36.4	170.3	-75.2	179.8	0	0	0	111.6	L946 D947 H952 L953 G954 I955 L957 A960 L994	L946-L950 HydrophobicContact CD1-CD1 3.96Å; L946-L950 HydrophobicContact CD1-CD2 4.47Å; L946-L950 HydrophobicContact CD1-CG 3.9Å; L946-L950 HydrophobicContact CD2-CD1 4.41Å; L946-L950 HydrophobicContact CG-CD1 3.79Å; L946-L950 HydrophobicContact CG-CG 4.19Å; L946-L950 WeakPolarHBondContact O-CB 3.2Å; L946-L950 VanDerWaalsContact O-CG 3.27Å; L946-L950 WeakPolarHBondContact O-CG 3.38Å; L946-L950 PolarHBondContact O-N 3.33Å; D947-L950 PolarHBondContact O-N 2.69Å; L950-H952 VanDerWaalsContact C-N 3.33Å; L950-H952 PolarHBondContact O-N 2.74Å; L950-L953 PolarHBondContact O-N 3.4Å; L950-G954 PolarHBondContact O-N 3.1Å; L950-I955 WeakPolarHBondContact CB-O 3.45Å; L950-I955 HydrophobicContact CD2-CB 4.2Å; L950-I955 HydrophobicContact CD2-CG2 4.31Å; L950-I955 PolarHBondContact O-N 3.23Å; L950-I955 VanDerWaalsContact O-N 3.13Å; L950-L957 HydrophobicContact CD1-CB 4.19Å; L950-L957 HydrophobicContact CD1-CD1 3.7Å; L950-A960 HydrophobicContact CD1-CB 3.9Å; L950-A960 HydrophobicContact CD2-CB 3.63Å; L950-A960 HydrophobicContact CG-CB 4.45Å; L950-L994 HydrophobicContact CD2-CD1 3.76Å
951	E	83	Confident	82.6	Confident	157 Å²	157	68.7 Å²	68.7	73%	0.734	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-41.1	173.8	-164.7	172.5	-166.1	0	0	111.2	D947 E949 L953 G954	D947-E951 WeakPolarHBondContact O-CB 3.49Å; D947-E951 PolarHBondContact O-N 3.47Å; E949-E951 VanDerWaalsContact C-N 3.31Å; E951-L953 VanDerWaalsContact C-N 3.32Å; E951-L953 PolarHBondContact O-N 3.31Å; E951-G954 PolarHBondContact O-N 3.3Å
952	H	79.9	Confident	82.7	Confident	164 Å²	164	74.3 Å²	74.3	76%	0.759	37%	0.37	S	S	*	.	H	α-helix	trans	-64.2	-30.4	174.8	-104.2	79.7	0	0	0	114.3	D948 E949 L950	D948-H952 PolarHBondContact O-N 3.48Å; E949-H952 PolarHBondContact O-N 2.85Å; L950-H952 VanDerWaalsContact C-N 3.33Å; L950-H952 PolarHBondContact O-N 2.74Å
953	L	74.1	Confident	82.7	Confident	48 Å²	48	77.8 Å²	77.8	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-89	-10.4	178.1	-63.3	173.3	0	0	0	113.4	E949 L950 E951 I955 V991 L994 Q995	E949-L953 WeakPolarHBondContact O-CG 3.5Å; E949-L953 PolarHBondContact O-N 2.83Å; L950-L953 PolarHBondContact O-N 3.4Å; E951-L953 VanDerWaalsContact C-N 3.32Å; E951-L953 PolarHBondContact O-N 3.31Å; L953-I955 VanDerWaalsContact C-N 3.33Å; L953-I955 HydrophobicContact CB-CD1 3.85Å; L953-I955 HydrophobicContact CB-CG1 4.03Å; L953-I955 HydrophobicContact CD1-CD1 4.19Å; L953-V991 HydrophobicContact CD1-CG1 4.02Å; L953-V991 HydrophobicContact CD1-CG2 4.49Å; L953-V991 HydrophobicContact CD2-CG1 4.3Å; L953-L994 HydrophobicContact CD1-CB 4.36Å; L953-Q995 HydrophobicContact CD2-CG 3.62Å; L953-Q995 VanDerWaalsContact CD2-NE2 3.31Å
954	G	78.6	Confident	82.6	Confident	69 Å²	69	71.6 Å²	71.6	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	27.7	-174.3	0	0	0	0	0	114	L950 E951	L950-G954 PolarHBondContact O-N 3.1Å; E951-G954 PolarHBondContact O-N 3.3Å
955	I	79.4	Confident	82.6	Confident	20 Å²	20	67.3 Å²	67.3	10%	0.103	34%	0.344	C	S	.	.			trans	-109.8	135	-178	-58.7	168.6	0	0	0	109	L950 L953 E959 A960 L994 F998	L950-I955 WeakPolarHBondContact CB-O 3.45Å; L950-I955 HydrophobicContact CD2-CB 4.2Å; L950-I955 HydrophobicContact CD2-CG2 4.31Å; L950-I955 PolarHBondContact O-N 3.23Å; L950-I955 VanDerWaalsContact O-N 3.13Å; L953-I955 VanDerWaalsContact C-N 3.33Å; L953-I955 HydrophobicContact CB-CD1 3.85Å; L953-I955 HydrophobicContact CB-CG1 4.03Å; L953-I955 HydrophobicContact CD1-CD1 4.19Å; I955-E959 HydrophobicContact CG2-CB 3.98Å; I955-A960 HydrophobicContact CG2-CB 4.3Å; I955-L994 HydrophobicContact CD1-CB 4.17Å; I955-F998 HydrophobicContact CD1-CB 4.41Å; I955-F998 HydrophobicContact CD1-CD2 3.58Å; I955-F998 HydrophobicContact CD1-CE2 4.06Å; I955-F998 HydrophobicContact CD1-CG 4.06Å; I955-F998 HydrophobicContact CG1-CD2 4.4Å; I955-F998 HydrophobicContact CG2-CE2 4.38Å; I955-F998 HydrophobicContact CG2-CZ 4.5Å
956	S	82.7	Confident	82.6	Confident	56 Å²	56	68.1 Å²	68.1	39%	0.392	35%	0.354	S	S	.	.			trans	-78	150.1	176.4	68.2	0	0	0	0	112.6	K958 E959 A960	S956-K958 PolarHBondContact O-N 3.21Å; S956-E959 PolarHBondContact N-OE2 3.1Å; S956-E959 VanDerWaalsContact N-OE2 3.13Å; S956-E959 PolarHBondContact O-N 3.37Å; S956-E959 VanDerWaalsContact OG-CG 3.26Å; S956-E959 WeakPolarHBondContact OG-CG 3.39Å; S956-E959 PolarHBondContact OG-N 2.78Å; S956-E959 PolarHBondContact OG-OE2 2.84Å; S956-A960 PolarHBondContact O-N 2.85Å
957	L	82.1	Confident	82.4	Confident	36 Å²	36	73.9 Å²	73.9	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-53.1	-41.2	177.3	-175.1	67.6	0	0	0	112.3	L946 L950 E959 A960 E961	L946-L957 HydrophobicContact CD2-CD1 3.58Å; L946-L957 HydrophobicContact CG-CD1 4.1Å; L950-L957 HydrophobicContact CD1-CB 4.19Å; L950-L957 HydrophobicContact CD1-CD1 3.7Å; L957-E959 VanDerWaalsContact C-N 3.31Å; L957-E959 PolarHBondContact O-N 2.82Å; L957-A960 PolarHBondContact O-N 3.01Å; L957-E961 HydrophobicContact CG-CG 4.44Å; L957-E961 WeakPolarHBondContact CG-OE1 3.32Å; L957-E961 WeakPolarHBondContact O-CB 3.49Å; L957-E961 WeakPolarHBondContact O-CG 3.46Å; L957-E961 PolarHBondContact O-N 2.61Å
958	K	82.7	Confident	82.4	Confident	161 Å²	161	73.5 Å²	73.5	70%	0.7	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-30.6	176.3	-80.9	-174	176.5	179.3	0	114.2	S956	S956-K958 PolarHBondContact O-N 3.21Å
959	E	81.9	Confident	82.2	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-78.7	-40.9	176	-74.5	164.2	152.3	0	0	110.8	I955 S956 L957 K962 H963	I955-E959 HydrophobicContact CG2-CB 3.98Å; S956-E959 PolarHBondContact N-OE2 3.1Å; S956-E959 VanDerWaalsContact N-OE2 3.13Å; S956-E959 PolarHBondContact O-N 3.37Å; S956-E959 VanDerWaalsContact OG-CG 3.26Å; S956-E959 WeakPolarHBondContact OG-CG 3.39Å; S956-E959 PolarHBondContact OG-N 2.78Å; S956-E959 PolarHBondContact OG-OE2 2.84Å; L957-E959 VanDerWaalsContact C-N 3.31Å; L957-E959 PolarHBondContact O-N 2.82Å; E959-K962 PolarHBondContact O-N 3.46Å; E959-H963 PolarHBondContact O-CD2 2.73Å
960	A	82.2	Confident	82.3	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-47.1	175.3	0	0	0	0	0	111.3	L950 I955 S956 L957 K962 H963 L964 L994	L950-A960 HydrophobicContact CD1-CB 3.9Å; L950-A960 HydrophobicContact CD2-CB 3.63Å; L950-A960 HydrophobicContact CG-CB 4.45Å; I955-A960 HydrophobicContact CG2-CB 4.3Å; S956-A960 PolarHBondContact O-N 2.85Å; L957-A960 PolarHBondContact O-N 3.01Å; A960-K962 VanDerWaalsContact C-N 3.26Å; A960-K962 PolarHBondContact O-N 2.91Å; A960-K962 VanDerWaalsContact O-N 3.17Å; A960-H963 PolarHBondContact O-N 3.44Å; A960-L964 HydrophobicContact CB-CD1 3.94Å; A960-L964 WeakPolarHBondContact O-CB 3.09Å; A960-L964 WeakPolarHBondContact O-CG 3.33Å; A960-L964 PolarHBondContact O-N 2.95Å; A960-L994 HydrophobicContact CB-CD1 4.37Å; A960-L994 HydrophobicContact CB-CD2 4.28Å
961	E	85.7	Confident	82.1	Confident	48 Å²	48	82.3 Å²	82.3	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-49.4	-43	178.4	-79.7	169.5	-168.2	0	0	113	L957 H963 L964 L965 V973	L957-E961 HydrophobicContact CG-CG 4.44Å; L957-E961 WeakPolarHBondContact CG-OE1 3.32Å; L957-E961 WeakPolarHBondContact O-CB 3.49Å; L957-E961 WeakPolarHBondContact O-CG 3.46Å; L957-E961 PolarHBondContact O-N 2.61Å; E961-H963 PolarHBondContact O-N 3.25Å; E961-L964 PolarHBondContact O-N 3.45Å; E961-L965 WeakPolarHBondContact O-CB 3.24Å; E961-L965 WeakPolarHBondContact O-CG 3.47Å; E961-L965 PolarHBondContact O-N 3.35Å; E961-V973 HydrophobicContact CG-CG2 3.9Å; E961-V973 WeakPolarHBondContact OE1-CG2 3.37Å
962	K	83.3	Confident	82.2	Confident	156 Å²	156	77.9 Å²	77.9	68%	0.678	40%	0.398	S	S	*	.	H	α-helix	trans	-60.7	-30.8	-179.7	-70.8	177.2	-176.2	175.6	0	113.7	E959 A960 P966	E959-K962 PolarHBondContact O-N 3.46Å; A960-K962 VanDerWaalsContact C-N 3.26Å; A960-K962 PolarHBondContact O-N 2.91Å; A960-K962 VanDerWaalsContact O-N 3.17Å; K962-P966 VanDerWaalsContact O-CD 3.32Å; K962-P966 WeakPolarHBondContact O-CD 3.35Å; K962-P966 WeakPolarHBondContact O-CG 3.26Å
963	H	84	Confident	82.5	Confident	72 Å²	72	71.9 Å²	71.9	33%	0.333	37%	0.373	S	S	.	.	H	α-helix	trans	-97.2	-29	179.2	-66.9	-76.1	0	0	0	112.4	E959 A960 E961 R967 F993 F998	E959-H963 PolarHBondContact O-CD2 2.73Å; A960-H963 PolarHBondContact O-N 3.44Å; E961-H963 PolarHBondContact O-N 3.25Å; H963-R967 WeakPolarHBondContact O-CB 3.48Å; H963-F993 HydrophobicContact CB-CE1 4.17Å; H963-F998 AromaticContact CD2-CE2 3.98Å; H963-F998 AromaticContact CD2-CZ 3.73Å; H963-F998 AromaticContact NE2-CZ 3.81Å
964	L	85.8	Confident	83.1	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-80.9	-44.5	-175.6	-66.4	179.8	0	0	0	113	A960 E961 R967 Y968 L976 M990 F993 L994	A960-L964 HydrophobicContact CB-CD1 3.94Å; A960-L964 WeakPolarHBondContact O-CB 3.09Å; A960-L964 WeakPolarHBondContact O-CG 3.33Å; A960-L964 PolarHBondContact O-N 2.95Å; E961-L964 PolarHBondContact O-N 3.45Å; L964-R967 PolarHBondContact O-N 2.79Å; L964-Y968 HydrophobicContact CD2-CE2 4.1Å; L964-Y968 WeakPolarHBondContact O-CD2 3.26Å; L964-Y968 PolarHBondContact O-N 3.42Å; L964-Y968 VanDerWaalsContact O-N 3.14Å; L964-L976 HydrophobicContact CB-CD2 4.01Å; L964-L976 HydrophobicContact CD1-CD2 4.14Å; L964-M990 HydrophobicContact CD1-CE 4.14Å; L964-M990 HydrophobicContact CD1-CG 4.12Å; L964-M990 HydrophobicContact CD1-SD 3.66Å; L964-M990 HydrophobicContact CD2-CG 3.27Å; L964-M990 HydrophobicContact CD2-SD 3.68Å; L964-M990 HydrophobicContact CG-CG 4.33Å; L964-M990 HydrophobicContact CG-SD 4.24Å; L964-F993 HydrophobicContact CD2-CD1 4.28Å; L964-L994 HydrophobicContact CD1-CD1 4.38Å; L964-L994 HydrophobicContact CD2-CD1 4.46Å; L964-L994 HydrophobicContact CD2-CD2 4.12Å; L964-L994 HydrophobicContact CD2-CG 4.23Å; L964-L994 HydrophobicContact CG-CD2 4.24Å
965	L	86.1	Confident	83.3	Confident	40 Å²	40	72.8 Å²	72.8	21%	0.209	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-47.2	-178.6	-65.4	174.5	0	0	0	112.4	E961 R967 N969 F970 D972 L976	E961-L965 WeakPolarHBondContact O-CB 3.24Å; E961-L965 WeakPolarHBondContact O-CG 3.47Å; E961-L965 PolarHBondContact O-N 3.35Å; L965-R967 PolarHBondContact O-N 2.99Å; L965-N969 PolarHBondContact O-N 3.2Å; L965-F970 HydrophobicContact CD2-CB 3.89Å; L965-F970 PolarHBondContact O-N 3.17Å; L965-D972 WeakPolarHBondContact CD2-O 3.43Å; L965-L976 HydrophobicContact CD2-CB 4.4Å; L965-L976 HydrophobicContact CD2-CD2 4.48Å
966	P	84.2	Confident	83.7	Confident	89 Å²	89	71.9 Å²	71.9	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-69.4	-30.1	178	-18	32.6	0	0	0	113.4	K962 N969	K962-P966 VanDerWaalsContact O-CD 3.32Å; K962-P966 WeakPolarHBondContact O-CD 3.35Å; K962-P966 WeakPolarHBondContact O-CG 3.26Å; P966-N969 PolarHBondContact O-OD1 2.93Å
967	R	82.4	Confident	83.9	Confident	123 Å²	123	69.3 Å²	69.3	46%	0.464	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-39.1	-179.5	174.1	173.5	174.4	109.2	-5.3	112.2	H963 L964 L965 F993	H963-R967 WeakPolarHBondContact O-CB 3.48Å; L964-R967 PolarHBondContact O-N 2.79Å; L965-R967 PolarHBondContact O-N 2.99Å; R967-F993 HydrophobicContact CB-CE1 4.24Å; R967-F993 HydrophobicContact CB-CZ 4.5Å; R967-F993 HydrophobicContact CG-CE1 4.36Å; R967-F993 VanDerWaalsContact CZ-CD2 3.48Å; R967-F993 VanDerWaalsContact CZ-CG 3.44Å; R967-F993 VanDerWaalsContact NH1-CG 3.28Å
968	Y	83.8	Confident	84	Confident	55 Å²	55	68.3 Å²	68.3	22%	0.216	33%	0.334	C	S	.	.	H	α-helix	trans	-103.7	5.2	-175.3	-66.2	-75.5	0	0	0	113.8	L964 F970 L976 I985 M990	L964-Y968 HydrophobicContact CD2-CE2 4.1Å; L964-Y968 WeakPolarHBondContact O-CD2 3.26Å; L964-Y968 PolarHBondContact O-N 3.42Å; L964-Y968 VanDerWaalsContact O-N 3.14Å; Y968-F970 VanDerWaalsContact C-N 3.31Å; Y968-F970 HydrophobicContact CG-CE2 4.4Å; Y968-F970 PolarHBondContact O-N 2.85Å; Y968-L976 HydrophobicContact CD2-CD1 4.5Å; Y968-I985 HydrophobicContact CD1-CD1 4.4Å; Y968-I985 HydrophobicContact CE1-CG2 4.22Å; Y968-I985 HydrophobicContact CE2-CG2 4.46Å; Y968-I985 HydrophobicContact CG-CD1 4.31Å; Y968-M990 HydrophobicContact CE2-CG 4.1Å; Y968-M990 HydrophobicContact CE2-SD 4.19Å
969	N	80.2	Confident	83.9	Confident	141 Å²	141	60.9 Å²	60.9	75%	0.754	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	39.2	-179.6	-65.4	-18.1	0	0	0	113.9	L965 P966	L965-N969 PolarHBondContact O-N 3.2Å; P966-N969 PolarHBondContact O-OD1 2.93Å
970	F	82.9	Confident	84	Confident	52 Å²	52	57 Å²	57	23%	0.228	28%	0.284	C	S	.	.			trans	-94.5	142.2	172.1	-69	-64.5	0	0	0	111	L965 Y968 E975 L976 A979 I985	L965-F970 HydrophobicContact CD2-CB 3.89Å; L965-F970 PolarHBondContact O-N 3.17Å; Y968-F970 VanDerWaalsContact C-N 3.31Å; Y968-F970 HydrophobicContact CG-CE2 4.4Å; Y968-F970 PolarHBondContact O-N 2.85Å; F970-E975 HydrophobicContact CB-CB 4.44Å; F970-E975 HydrophobicContact CD1-CB 3.55Å; F970-E975 HydrophobicContact CE1-CB 4.11Å; F970-E975 HydrophobicContact CG-CB 4.21Å; F970-L976 HydrophobicContact CD2-CB 4.25Å; F970-L976 HydrophobicContact CD2-CD1 3.96Å; F970-L976 HydrophobicContact CE2-CD1 4.21Å; F970-A979 HydrophobicContact CE2-CB 4.36Å; F970-A979 HydrophobicContact CZ-CB 3.87Å; F970-I985 HydrophobicContact CE2-CD1 3.62Å; F970-I985 HydrophobicContact CZ-CD1 4.28Å
971	N	78.9	Confident	83.9	Confident	149 Å²	149	57.9 Å²	57.9	80%	0.797	29%	0.294	S	S	*	.	S	Bend	trans	-87.8	-29.4	-179.5	-63.5	-47.4	0	0	0	112.4
972	D	85.9	Confident	83.2	Confident	64 Å²	64	57.1 Å²	57.1	34%	0.342	30%	0.299	S	S	.	.	S	Bend	trans	-134.2	162.6	-178.4	71.5	55.2	0	0	0	111.5	L965 D974 E975	L965-D972 WeakPolarHBondContact CD2-O 3.43Å; D972-D974 VanDerWaalsContact C-N 3.34Å; D972-D974 WeakPolarHBondContact OD1-CA 3.4Å; D972-D974 WeakPolarHBondContact OD1-CB 3.32Å; D972-D974 PolarHBondContact OD1-N 3.47Å; D972-E975 WeakPolarHBondContact OD1-CG 3.46Å; D972-E975 PolarHBondContact OD1-N 3.39Å
973	V	85.5	Confident	82.7	Confident	39 Å²	39	52.2 Å²	52.2	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-73	-28.3	-179.3	81.4	0	0	0	0	112	E961 E975 L976 L977	E961-V973 HydrophobicContact CG-CG2 3.9Å; E961-V973 WeakPolarHBondContact OE1-CG2 3.37Å; V973-E975 VanDerWaalsContact C-N 3.33Å; V973-E975 PolarHBondContact O-N 2.84Å; V973-L976 WeakPolarHBondContact O-CB 3.4Å; V973-L976 PolarHBondContact O-N 3.36Å; V973-L977 HydrophobicContact CG1-CD1 4.43Å; V973-L977 HydrophobicContact CG2-CD1 4.44Å; V973-L977 HydrophobicContact CG2-CG 4.33Å; V973-L977 WeakPolarHBondContact O-CB 3.35Å; V973-L977 VanDerWaalsContact O-CG 3.23Å; V973-L977 WeakPolarHBondContact O-CG 3.36Å; V973-L977 PolarHBondContact O-N 3.16Å
974	D	86.5	Confident	82.1	Confident	75 Å²	75	52.9 Å²	52.9	40%	0.401	30%	0.299	S	S	.	.	H	α-helix	trans	-68.8	-32.8	-178	-73.6	-15.8	0	0	0	111.5	I939 D972 L977 A978	I939-D974 HydrophobicContact CD1-CB 4.13Å; D972-D974 VanDerWaalsContact C-N 3.34Å; D972-D974 WeakPolarHBondContact OD1-CA 3.4Å; D972-D974 WeakPolarHBondContact OD1-CB 3.32Å; D972-D974 PolarHBondContact OD1-N 3.47Å; D974-L977 PolarHBondContact O-N 3.06Å; D974-A978 WeakPolarHBondContact O-CB 3.37Å; D974-A978 PolarHBondContact O-N 2.59Å
975	E	84.3	Confident	81.6	Confident	61 Å²	61	53.6 Å²	53.6	29%	0.285	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-42.5	171.1	-73.6	-173.2	156.2	0	0	111.4	F970 D972 V973 A979	F970-E975 HydrophobicContact CB-CB 4.44Å; F970-E975 HydrophobicContact CD1-CB 3.55Å; F970-E975 HydrophobicContact CE1-CB 4.11Å; F970-E975 HydrophobicContact CG-CB 4.21Å; D972-E975 WeakPolarHBondContact OD1-CG 3.46Å; D972-E975 PolarHBondContact OD1-N 3.39Å; V973-E975 VanDerWaalsContact C-N 3.33Å; V973-E975 PolarHBondContact O-N 2.84Å; E975-A979 VanDerWaalsContact O-CB 3.24Å; E975-A979 WeakPolarHBondContact O-CB 3.25Å; E975-A979 PolarHBondContact O-N 3.23Å
976	L	86	Confident	81.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-47.4	173.9	179	70.2	0	0	0	110.6	L964 L965 Y968 F970 V973 A979 I980 I985 M990	L964-L976 HydrophobicContact CB-CD2 4.01Å; L964-L976 HydrophobicContact CD1-CD2 4.14Å; L965-L976 HydrophobicContact CD2-CB 4.4Å; L965-L976 HydrophobicContact CD2-CD2 4.48Å; Y968-L976 HydrophobicContact CD2-CD1 4.5Å; F970-L976 HydrophobicContact CD2-CB 4.25Å; F970-L976 HydrophobicContact CD2-CD1 3.96Å; F970-L976 HydrophobicContact CE2-CD1 4.21Å; V973-L976 WeakPolarHBondContact O-CB 3.4Å; V973-L976 PolarHBondContact O-N 3.36Å; L976-A979 WeakPolarHBondContact O-CB 3.49Å; L976-A979 PolarHBondContact O-N 3.24Å; L976-I980 HydrophobicContact CD1-CD1 4.34Å; L976-I980 HydrophobicContact CG-CD1 4.03Å; L976-I980 VanDerWaalsContact O-CG1 3.28Å; L976-I980 WeakPolarHBondContact O-CG1 3.17Å; L976-I980 PolarHBondContact O-N 2.93Å; L976-I985 HydrophobicContact CD1-CD1 3.61Å; L976-M990 HydrophobicContact CD1-SD 4.48Å
977	L	87.4	Confident	80.7	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-43.7	179.1	-67.5	177.6	0	0	0	111.7	I939 G942 R943 L946 V973 D974 A979 I980 G981	I939-L977 HydrophobicContact CG2-CB 4.27Å; I939-L977 HydrophobicContact CG2-CD1 4.34Å; G942-L977 WeakPolarHBondContact CA-O 3.04Å; R943-L977 HydrophobicContact CB-CD1 4.11Å; R943-L977 HydrophobicContact CB-CD2 4.14Å; R943-L977 HydrophobicContact CG-CD1 4.26Å; L946-L977 HydrophobicContact CB-CD2 4.47Å; L946-L977 HydrophobicContact CD2-CD2 4Å; V973-L977 HydrophobicContact CG1-CD1 4.43Å; V973-L977 HydrophobicContact CG2-CD1 4.44Å; V973-L977 HydrophobicContact CG2-CG 4.33Å; V973-L977 WeakPolarHBondContact O-CB 3.35Å; V973-L977 VanDerWaalsContact O-CG 3.23Å; V973-L977 WeakPolarHBondContact O-CG 3.36Å; V973-L977 PolarHBondContact O-N 3.16Å; D974-L977 PolarHBondContact O-N 3.06Å; L977-A979 VanDerWaalsContact C-N 3.27Å; L977-A979 PolarHBondContact O-N 3.16Å; L977-I980 PolarHBondContact O-N 3.29Å; L977-G981 PolarHBondContact O-N 3.18Å
978	A	84.3	Confident	80.4	Confident	15 Å²	15	57.5 Å²	57.5	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-38.1	174.4	0	0	0	0	0	111.7	R935 I939 D974 G982	R935-A978 HydrophobicContact CG-CB 4.33Å; I939-A978 HydrophobicContact CG1-CB 3.77Å; D974-A978 WeakPolarHBondContact O-CB 3.37Å; D974-A978 PolarHBondContact O-N 2.59Å; A978-G982 WeakPolarHBondContact O-CA 3.24Å; A978-G982 PolarHBondContact O-N 2.99Å
979	A	81.4	Confident	80	Confident	5 Å²	5	60.3 Å²	60.3	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-70	-35.9	177	0	0	0	0	0	112.2	F970 E975 L976 L977 G983 D984 I985	F970-A979 HydrophobicContact CE2-CB 4.36Å; F970-A979 HydrophobicContact CZ-CB 3.87Å; E975-A979 VanDerWaalsContact O-CB 3.24Å; E975-A979 WeakPolarHBondContact O-CB 3.25Å; E975-A979 PolarHBondContact O-N 3.23Å; L976-A979 WeakPolarHBondContact O-CB 3.49Å; L976-A979 PolarHBondContact O-N 3.24Å; L977-A979 VanDerWaalsContact C-N 3.27Å; L977-A979 PolarHBondContact O-N 3.16Å; A979-G983 CarbonylContact O-C 3.55Å; A979-G983 PolarHBondContact O-N 3.03Å; A979-G983 VanDerWaalsContact O-N 3.15Å; A979-D984 HydrophobicContact CB-CB 4.07Å; A979-D984 PolarHBondContact O-N 2.91Å; A979-I985 HydrophobicContact CB-CD1 3.75Å; A979-I985 HydrophobicContact CB-CG1 3.96Å; A979-I985 PolarHBondContact O-N 3.21Å
980	I	83	Confident	80	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-51.9	174.2	-66.1	163.8	0	0	0	110.3	I945 L946 L976 L977 G982 G983 I985 L987 M990	I945-I980 HydrophobicContact CB-CG2 4.34Å; I945-I980 HydrophobicContact CG2-CG2 4.29Å; L946-I980 HydrophobicContact CB-CD1 4.18Å; L946-I980 HydrophobicContact CD1-CD1 4.32Å; L946-I980 HydrophobicContact CD2-CD1 3.78Å; L946-I980 HydrophobicContact CG-CD1 4.32Å; L976-I980 HydrophobicContact CD1-CD1 4.34Å; L976-I980 HydrophobicContact CG-CD1 4.03Å; L976-I980 VanDerWaalsContact O-CG1 3.28Å; L976-I980 WeakPolarHBondContact O-CG1 3.17Å; L976-I980 PolarHBondContact O-N 2.93Å; L977-I980 PolarHBondContact O-N 3.29Å; I980-G982 VanDerWaalsContact C-N 3.29Å; I980-G982 PolarHBondContact O-N 3.41Å; I980-G983 PolarHBondContact O-N 2.59Å; I980-I985 HydrophobicContact CG1-CB 4.36Å; I980-I985 HydrophobicContact CG1-CD1 4.47Å; I980-L987 HydrophobicContact CG2-CD1 3.67Å; I980-M990 HydrophobicContact CD1-CE 3.68Å; I980-M990 HydrophobicContact CD1-SD 4.25Å; I980-M990 HydrophobicContact CG1-CE 4.31Å
981	G	81.2	Confident	79.8	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-27	-178.9	0	0	0	0	0	113.7	N938 L977 G983	N938-G981 WeakPolarHBondContact O-CA 3.32Å; L977-G981 PolarHBondContact O-N 3.18Å; G981-G983 VanDerWaalsContact C-N 3.31Å
982	G	70.6	Confident	79.7	Confident	31 Å²	31	49.5 Å²	49.5	32%	0.32	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.2	171	0	0	0	0	0	114.2	A978 I980	A978-G982 WeakPolarHBondContact O-CA 3.24Å; A978-G982 PolarHBondContact O-N 2.99Å; I980-G982 VanDerWaalsContact C-N 3.29Å; I980-G982 PolarHBondContact O-N 3.41Å
983	G	72.3	Confident	79.5	Confident	53 Å²	53	47.7 Å²	47.7	55%	0.546	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.1	179.7	0	0	0	0	0	115.7	A979 I980 G981 I985	A979-G983 CarbonylContact O-C 3.55Å; A979-G983 PolarHBondContact O-N 3.03Å; A979-G983 VanDerWaalsContact O-N 3.15Å; I980-G983 PolarHBondContact O-N 2.59Å; G981-G983 VanDerWaalsContact C-N 3.31Å; G983-I985 VanDerWaalsContact C-N 3.28Å; G983-I985 PolarHBondContact O-N 3.15Å
984	D	71.2	Confident	79.2	Confident	87 Å²	87	46 Å²	46	47%	0.465	25%	0.252	S	S	.	.	S	Bend	trans	-66.7	-31.3	176	-73.5	-35.1	0	0	0	111.6	R931 A979	R931-D984 WeakPolarHBondContact CD-OD1 3.38Å; R931-D984 WeakPolarHBondContact CD-OD2 3.36Å; R931-D984 IonicContact CZ-OD1 3.75Å; R931-D984 IonicContact CZ-OD2 3.63Å; R931-D984 IonicContact NE-OD1 3.81Å; R931-D984 IonicContact NE-OD2 3.76Å; R931-D984 VanDerWaalsContact NH1-CG 3.32Å; R931-D984 IonicContact NH1-OD1 3.26Å; R931-D984 PolarHBondContact NH1-OD1 2.9Å; R931-D984 IonicContact NH1-OD2 2.74Å; R931-D984 PolarHBondContact NH1-OD2 3.26Å; A979-D984 HydrophobicContact CB-CB 4.07Å; A979-D984 PolarHBondContact O-N 2.91Å
985	I	75.7	Confident	78.6	Confident	15 Å²	15	46.4 Å²	46.4	8%	0.077	25%	0.252	C	S	.	.	S	Bend	trans	-109.6	118.5	176.1	-58	172.5	0	0	0	108.8	Y968 F970 L976 A979 I980 G983 L987 M990	Y968-I985 HydrophobicContact CD1-CD1 4.4Å; Y968-I985 HydrophobicContact CE1-CG2 4.22Å; Y968-I985 HydrophobicContact CE2-CG2 4.46Å; Y968-I985 HydrophobicContact CG-CD1 4.31Å; F970-I985 HydrophobicContact CE2-CD1 3.62Å; F970-I985 HydrophobicContact CZ-CD1 4.28Å; L976-I985 HydrophobicContact CD1-CD1 3.61Å; A979-I985 HydrophobicContact CB-CD1 3.75Å; A979-I985 HydrophobicContact CB-CG1 3.96Å; A979-I985 PolarHBondContact O-N 3.21Å; I980-I985 HydrophobicContact CG1-CB 4.36Å; I980-I985 HydrophobicContact CG1-CD1 4.47Å; G983-I985 VanDerWaalsContact C-N 3.28Å; G983-I985 PolarHBondContact O-N 3.15Å; I985-L987 PolarHBondContact O-N 2.98Å; I985-M990 HydrophobicContact CG2-CB 4.39Å; I985-M990 HydrophobicContact CG2-SD 4.14Å
986	R	74.7	Confident	78	Confident	188 Å²	188	46.2 Å²	46.2	71%	0.709	26%	0.257	S	S	*	.			trans	-72	114.6	174.1	-65	-173.4	-176.2	-170.1	2.2	109.7	N988 Q989 M990	R986-N988 VanDerWaalsContact C-N 3.28Å; R986-N988 PolarHBondContact O-N 3.49Å; R986-N988 VanDerWaalsContact O-N 3.17Å; R986-Q989 HydrophobicContact CB-CG 4.43Å; R986-Q989 PolarHBondContact O-N 3.36Å; R986-M990 PolarHBondContact O-N 2.86Å
987	L	77	Confident	77.4	Confident	32 Å²	32	50.9 Å²	50.9	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-49.2	-45.6	-176.5	-148	81.1	0	0	0	113	I945 E949 I980 I985 Q989 M990 V991	I945-L987 HydrophobicContact CG2-CD1 3.51Å; I945-L987 HydrophobicContact CG2-CD2 3.53Å; I945-L987 HydrophobicContact CG2-CG 4.11Å; E949-L987 HydrophobicContact CB-CD2 3.94Å; E949-L987 HydrophobicContact CG-CD2 3.83Å; I980-L987 HydrophobicContact CG2-CD1 3.67Å; I985-L987 PolarHBondContact O-N 2.98Å; L987-Q989 VanDerWaalsContact C-N 3.31Å; L987-Q989 PolarHBondContact O-N 3.45Å; L987-M990 HydrophobicContact CD1-CE 4.2Å; L987-M990 CarbonylContact O-C 3.59Å; L987-M990 WeakPolarHBondContact O-CA 3.49Å; L987-M990 VanDerWaalsContact O-CB 3.29Å; L987-M990 WeakPolarHBondContact O-CB 3.43Å; L987-M990 PolarHBondContact O-N 3.04Å; L987-V991 WeakPolarHBondContact O-CG2 3.47Å; L987-V991 PolarHBondContact O-N 3.31Å
988	N	75.3	Confident	76.5	Confident	115 Å²	115	55.2 Å²	55.2	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-59.5	-36	-178.1	-64.6	0	0	0	0	113.8	R986 M990 N992	R986-N988 VanDerWaalsContact C-N 3.28Å; R986-N988 PolarHBondContact O-N 3.49Å; R986-N988 VanDerWaalsContact O-N 3.17Å; N988-M990 VanDerWaalsContact C-N 3.29Å; N988-N992 VanDerWaalsContact O-CB 3.31Å; N988-N992 WeakPolarHBondContact O-CB 3.48Å; N988-N992 PolarHBondContact O-N 3.38Å; N988-N992 PolarHBondContact O-ND2 3.38Å
989	Q	75.7	Confident	75.4	Confident	113 Å²	113	60.6 Å²	60.6	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-34.2	177.4	-70.5	-177.7	-13.9	0	0	111.1	R986 L987 F993	R986-Q989 HydrophobicContact CB-CG 4.43Å; R986-Q989 PolarHBondContact O-N 3.36Å; L987-Q989 VanDerWaalsContact C-N 3.31Å; L987-Q989 PolarHBondContact O-N 3.45Å; Q989-F993 WeakPolarHBondContact O-CB 3.38Å; Q989-F993 PolarHBondContact O-N 3.15Å; Q989-F993 VanDerWaalsContact O-N 3.08Å
990	M	79.7	Confident	74.1	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-71.5	-45.1	177	-164.1	168.6	72.6	0	0	111.5	L946 L964 Y968 L976 I980 I985 R986 L987 N988 F993 L994	L946-M990 HydrophobicContact CD1-CE 3.26Å; L946-M990 HydrophobicContact CG-CE 4.47Å; L964-M990 HydrophobicContact CD1-CE 4.14Å; L964-M990 HydrophobicContact CD1-CG 4.12Å; L964-M990 HydrophobicContact CD1-SD 3.66Å; L964-M990 HydrophobicContact CD2-CG 3.27Å; L964-M990 HydrophobicContact CD2-SD 3.68Å; L964-M990 HydrophobicContact CG-CG 4.33Å; L964-M990 HydrophobicContact CG-SD 4.24Å; Y968-M990 HydrophobicContact CE2-CG 4.1Å; Y968-M990 HydrophobicContact CE2-SD 4.19Å; L976-M990 HydrophobicContact CD1-SD 4.48Å; I980-M990 HydrophobicContact CD1-CE 3.68Å; I980-M990 HydrophobicContact CD1-SD 4.25Å; I980-M990 HydrophobicContact CG1-CE 4.31Å; I985-M990 HydrophobicContact CG2-CB 4.39Å; I985-M990 HydrophobicContact CG2-SD 4.14Å; R986-M990 PolarHBondContact O-N 2.86Å; L987-M990 HydrophobicContact CD1-CE 4.2Å; L987-M990 CarbonylContact O-C 3.59Å; L987-M990 WeakPolarHBondContact O-CA 3.49Å; L987-M990 VanDerWaalsContact O-CB 3.29Å; L987-M990 WeakPolarHBondContact O-CB 3.43Å; L987-M990 PolarHBondContact O-N 3.04Å; N988-M990 VanDerWaalsContact C-N 3.29Å; M990-F993 WeakPolarHBondContact O-CB 3.5Å; M990-F993 PolarHBondContact O-N 3.03Å; M990-L994 WeakPolarHBondContact O-CG 3.45Å; M990-L994 PolarHBondContact O-N 2.8Å
991	V	79.2	Confident	72.8	Confident	15 Å²	15	72.3 Å²	72.3	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-58.7	-49.3	173.4	167.3	0	0	0	0	111.2	E949 L953 L987 F993 L994 Q995	E949-V991 HydrophobicContact CB-CG2 4.44Å; E949-V991 HydrophobicContact CG-CG2 3.47Å; E949-V991 VanDerWaalsContact CG-CG2 3.47Å; L953-V991 HydrophobicContact CD1-CG1 4.02Å; L953-V991 HydrophobicContact CD1-CG2 4.49Å; L953-V991 HydrophobicContact CD2-CG1 4.3Å; L987-V991 WeakPolarHBondContact O-CG2 3.47Å; L987-V991 PolarHBondContact O-N 3.31Å; V991-F993 VanDerWaalsContact C-N 3.26Å; V991-F993 PolarHBondContact O-N 2.94Å; V991-L994 PolarHBondContact O-N 3.49Å; V991-Q995 HydrophobicContact CG1-CG 4.47Å; V991-Q995 WeakPolarHBondContact O-CB 3.42Å; V991-Q995 WeakPolarHBondContact O-CG 3.44Å; V991-Q995 PolarHBondContact O-N 3.46Å
992	N	76.5	Confident	71.7	Confident	99 Å²	99	74 Å²	74	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-35.8	177.5	-72.9	-14.3	0	0	0	112	N988 S996	N988-N992 VanDerWaalsContact O-CB 3.31Å; N988-N992 WeakPolarHBondContact O-CB 3.48Å; N988-N992 PolarHBondContact O-N 3.38Å; N988-N992 PolarHBondContact O-ND2 3.38Å; N992-S996 WeakPolarHBondContact O-CB 3.47Å; N992-S996 PolarHBondContact O-N 3.38Å
993	F	81.7	Confident	71.2	Confident	27 Å²	27	74.6 Å²	74.6	12%	0.118	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-48.1	174.3	172.5	-115.4	0	0	0	111.7	H963 L964 R967 Q989 M990 V991 Q995 S996 Q997	H963-F993 HydrophobicContact CB-CE1 4.17Å; L964-F993 HydrophobicContact CD2-CD1 4.28Å; R967-F993 HydrophobicContact CB-CE1 4.24Å; R967-F993 HydrophobicContact CB-CZ 4.5Å; R967-F993 HydrophobicContact CG-CE1 4.36Å; R967-F993 VanDerWaalsContact CZ-CD2 3.48Å; R967-F993 VanDerWaalsContact CZ-CG 3.44Å; R967-F993 VanDerWaalsContact NH1-CG 3.28Å; Q989-F993 WeakPolarHBondContact O-CB 3.38Å; Q989-F993 PolarHBondContact O-N 3.15Å; Q989-F993 VanDerWaalsContact O-N 3.08Å; M990-F993 WeakPolarHBondContact O-CB 3.5Å; M990-F993 PolarHBondContact O-N 3.03Å; V991-F993 VanDerWaalsContact C-N 3.26Å; V991-F993 PolarHBondContact O-N 2.94Å; F993-Q995 VanDerWaalsContact C-N 3.34Å; F993-Q995 PolarHBondContact O-N 3.31Å; F993-S996 PolarHBondContact O-N 2.82Å; F993-S996 VanDerWaalsContact O-N 3.14Å; F993-S996 PolarHBondContact O-OG 3.02Å; F993-Q997 HydrophobicContact CD2-CG 4.16Å; F993-Q997 HydrophobicContact CE1-CG 4.33Å; F993-Q997 HydrophobicContact CE2-CG 3.73Å; F993-Q997 HydrophobicContact CZ-CG 3.83Å; F993-Q997 WeakPolarHBondContact O-CG 3.43Å; F993-Q997 PolarHBondContact O-N 2.78Å; F993-Q997 VanDerWaalsContact O-N 3.1Å
994	L	79.8	Confident	70.5	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.01	40%	0.401	C	S	.	.	H	α-helix	trans	-58.3	-47.9	175.5	-69.6	170.7	0	0	0	110.4	L950 L953 I955 A960 L964 M990 V991 S996 Q997 F998	L950-L994 HydrophobicContact CD2-CD1 3.76Å; L953-L994 HydrophobicContact CD1-CB 4.36Å; I955-L994 HydrophobicContact CD1-CB 4.17Å; A960-L994 HydrophobicContact CB-CD1 4.37Å; A960-L994 HydrophobicContact CB-CD2 4.28Å; L964-L994 HydrophobicContact CD1-CD1 4.38Å; L964-L994 HydrophobicContact CD2-CD1 4.46Å; L964-L994 HydrophobicContact CD2-CD2 4.12Å; L964-L994 HydrophobicContact CD2-CG 4.23Å; L964-L994 HydrophobicContact CG-CD2 4.24Å; M990-L994 WeakPolarHBondContact O-CG 3.45Å; M990-L994 PolarHBondContact O-N 2.8Å; V991-L994 PolarHBondContact O-N 3.49Å; L994-S996 VanDerWaalsContact C-N 3.32Å; L994-S996 PolarHBondContact O-N 2.8Å; L994-Q997 PolarHBondContact O-N 2.83Å; L994-F998 HydrophobicContact CD2-CE2 4.15Å; L994-F998 VanDerWaalsContact O-CD2 3.23Å; L994-F998 WeakPolarHBondContact O-CD2 3.41Å; L994-F998 PolarHBondContact O-N 3.14Å
995	Q	74.3	Confident	70.1	Confident	85 Å²	85	80.8 Å²	80.8	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-56.1	-43	173.8	-75.8	-176.2	-11.2	0	0	112.4	L953 V991 F993 Q997 F998 N999	L953-Q995 HydrophobicContact CD2-CG 3.62Å; L953-Q995 VanDerWaalsContact CD2-NE2 3.31Å; V991-Q995 HydrophobicContact CG1-CG 4.47Å; V991-Q995 WeakPolarHBondContact O-CB 3.42Å; V991-Q995 WeakPolarHBondContact O-CG 3.44Å; V991-Q995 PolarHBondContact O-N 3.46Å; F993-Q995 VanDerWaalsContact C-N 3.34Å; F993-Q995 PolarHBondContact O-N 3.31Å; Q995-Q997 VanDerWaalsContact C-N 3.26Å; Q995-Q997 PolarHBondContact O-N 3.44Å; Q995-F998 PolarHBondContact O-N 3.27Å; Q995-N999 CarbonylContact O-C 3.58Å; Q995-N999 WeakPolarHBondContact O-CA 3.49Å; Q995-N999 PolarHBondContact O-N 3.19Å; Q995-N999 VanDerWaalsContact O-O 3.05Å
996	S	71.3	Confident	69.4	Low	56 Å²	56	83 Å²	83	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-25.7	178.7	74.6	0	0	0	0	114.3	N992 F993 L994	N992-S996 WeakPolarHBondContact O-CB 3.47Å; N992-S996 PolarHBondContact O-N 3.38Å; F993-S996 PolarHBondContact O-N 2.82Å; F993-S996 VanDerWaalsContact O-N 3.14Å; F993-S996 PolarHBondContact O-OG 3.02Å; L994-S996 VanDerWaalsContact C-N 3.32Å; L994-S996 PolarHBondContact O-N 2.8Å
997	Q	72.5	Confident	68.8	Low	100 Å²	100	75.8 Å²	75.8	47%	0.467	39%	0.39	S	S	.	.	H	α-helix	trans	-83.7	-36	177	-67.1	-61.4	-45.4	0	0	111.8	F993 L994 Q995	F993-Q997 HydrophobicContact CD2-CG 4.16Å; F993-Q997 HydrophobicContact CE1-CG 4.33Å; F993-Q997 HydrophobicContact CE2-CG 3.73Å; F993-Q997 HydrophobicContact CZ-CG 3.83Å; F993-Q997 WeakPolarHBondContact O-CG 3.43Å; F993-Q997 PolarHBondContact O-N 2.78Å; F993-Q997 VanDerWaalsContact O-N 3.1Å; L994-Q997 PolarHBondContact O-N 2.83Å; Q995-Q997 VanDerWaalsContact C-N 3.26Å; Q995-Q997 PolarHBondContact O-N 3.44Å
998	F	68.3	Low	68.3	Low	92 Å²	92	77 Å²	77	40%	0.404	41%	0.405	S	S	.	.	H	α-helix	trans	-99.7	-22.1	-174.5	-69.1	-79.2	0	0	0	114.5	I955 H963 L994 Q995	I955-F998 HydrophobicContact CD1-CB 4.41Å; I955-F998 HydrophobicContact CD1-CD2 3.58Å; I955-F998 HydrophobicContact CD1-CE2 4.06Å; I955-F998 HydrophobicContact CD1-CG 4.06Å; I955-F998 HydrophobicContact CG1-CD2 4.4Å; I955-F998 HydrophobicContact CG2-CE2 4.38Å; I955-F998 HydrophobicContact CG2-CZ 4.5Å; H963-F998 AromaticContact CD2-CE2 3.98Å; H963-F998 AromaticContact CD2-CZ 3.73Å; H963-F998 AromaticContact NE2-CZ 3.81Å; L994-F998 HydrophobicContact CD2-CE2 4.15Å; L994-F998 VanDerWaalsContact O-CD2 3.23Å; L994-F998 WeakPolarHBondContact O-CD2 3.41Å; L994-F998 PolarHBondContact O-N 3.14Å; Q995-F998 PolarHBondContact O-N 3.27Å
999	N	62.1	Low	67.8	Low	128 Å²	128	74 Å²	74	68%	0.684	40%	0.396	S	S	*	.			trans	-136.9	99.3	-178	-98.6	-18.5	0	0	0	112	Q995	Q995-N999 CarbonylContact O-C 3.58Å; Q995-N999 WeakPolarHBondContact O-CA 3.49Å; Q995-N999 PolarHBondContact O-N 3.19Å; Q995-N999 VanDerWaalsContact O-O 3.05Å
1000	K	54.5	Low	67.1	Low	184 Å²	184	69.4 Å²	69.4	80%	0.8	38%	0.377	S	S	*	.			trans	-96	113.6	172.5	-75.9	179.7	179.1	173.7	0	110.5
1001	P	54.8	Low	66.4	Low	75 Å²	75	72.9 Å²	72.9	49%	0.487	40%	0.396	S	S	.	.			trans	-67.8	152.3	176.8	25.5	-32.4	0	0	0	112.3	E1005 Q1006	P1001-E1005 WeakPolarHBondContact CA-OE2 3.42Å; P1001-E1005 HydrophobicContact CB-CB 4.44Å; P1001-E1005 VanDerWaalsContact CB-OE2 3.28Å; P1001-E1005 WeakPolarHBondContact CB-OE2 3.44Å; P1001-Q1006 PolarHBondContact O-NE2 3.43Å
1002	S	59.3	Low	65.8	Low	57 Å²	57	78.9 Å²	78.9	40%	0.399	42%	0.42	S	S	.	.			trans	-71.6	161.3	-177.1	80.1	0	0	0	0	112.1	E1004 E1005 Q1006	S1002-E1004 VanDerWaalsContact C-N 3.28Å; S1002-E1004 PolarHBondContact O-N 2.85Å; S1002-E1005 PolarHBondContact N-OE2 2.82Å; S1002-E1005 VanDerWaalsContact N-OE2 3.09Å; S1002-E1005 PolarHBondContact O-N 3.32Å; S1002-E1005 PolarHBondContact OG-N 3.22Å; S1002-Q1006 WeakPolarHBondContact O-CG 3.48Å; S1002-Q1006 PolarHBondContact O-N 3.14Å
1003	A	58.5	Low	65.1	Low	43 Å²	43	80.6 Å²	80.6	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-32.6	-179.7	0	0	0	0	0	113	Q1006 D1007 S1111	A1003-Q1006 PolarHBondContact O-N 2.8Å; A1003-D1007 PolarHBondContact O-N 3.49Å; A1003-D1007 VanDerWaalsContact O-N 3.15Å; A1003-S1111 VanDerWaalsContact CB-OG 3.28Å; A1003-S1111 WeakPolarHBondContact CB-OG 3.4Å
1004	E	58.2	Low	64.2	Low	153 Å²	153	82 Å²	82	72%	0.715	43%	0.434	S	S	*	.	H	α-helix	trans	-66.9	-39.9	175.7	-72.9	-178.3	155.2	0	0	112.3	S1002 Q1006 D1007 A1008	S1002-E1004 VanDerWaalsContact C-N 3.28Å; S1002-E1004 PolarHBondContact O-N 2.85Å; E1004-Q1006 PolarHBondContact O-N 3.17Å; E1004-D1007 PolarHBondContact O-N 2.89Å; E1004-A1008 WeakPolarHBondContact O-CB 3.43Å; E1004-A1008 PolarHBondContact O-N 3.1Å
1005	E	62.8	Low	63.3	Low	116 Å²	116	88 Å²	88	54%	0.542	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-33.2	176.7	-72	176.2	150.8	0	0	111.5	P1001 S1002 A1009	P1001-E1005 WeakPolarHBondContact CA-OE2 3.42Å; P1001-E1005 HydrophobicContact CB-CB 4.44Å; P1001-E1005 VanDerWaalsContact CB-OE2 3.28Å; P1001-E1005 WeakPolarHBondContact CB-OE2 3.44Å; S1002-E1005 PolarHBondContact N-OE2 2.82Å; S1002-E1005 VanDerWaalsContact N-OE2 3.09Å; S1002-E1005 PolarHBondContact O-N 3.32Å; S1002-E1005 PolarHBondContact OG-N 3.22Å; E1005-A1009 WeakPolarHBondContact O-CB 3.19Å; E1005-A1009 PolarHBondContact O-N 3.23Å
1006	Q	60.6	Low	62.4	Low	63 Å²	63	91.6 Å²	91.6	29%	0.294	48%	0.479	S	S	.	.	H	α-helix	trans	-71.5	-44	177.9	-66.8	172	4.4	0	0	112.3	P1001 S1002 A1003 E1004 A1008 A1009 A1010	P1001-Q1006 PolarHBondContact O-NE2 3.43Å; S1002-Q1006 WeakPolarHBondContact O-CG 3.48Å; S1002-Q1006 PolarHBondContact O-N 3.14Å; A1003-Q1006 PolarHBondContact O-N 2.8Å; E1004-Q1006 PolarHBondContact O-N 3.17Å; Q1006-A1008 VanDerWaalsContact C-N 3.34Å; Q1006-A1009 PolarHBondContact O-N 3.29Å; Q1006-A1010 PolarHBondContact O-N 3.07Å
1007	D	63.2	Low	61.4	Low	35 Å²	35	96.7 Å²	96.7	19%	0.187	49%	0.494	C	S	.	.	H	α-helix	trans	-63.8	-40.5	175.3	-83.2	-22.2	0	0	0	111.1	A1003 E1004 A1009 A1010 L1011 G1112 R1115	A1003-D1007 PolarHBondContact O-N 3.49Å; A1003-D1007 VanDerWaalsContact O-N 3.15Å; E1004-D1007 PolarHBondContact O-N 2.89Å; D1007-A1009 VanDerWaalsContact C-N 3.34Å; D1007-A1009 PolarHBondContact O-N 3.4Å; D1007-A1010 PolarHBondContact O-N 3.16Å; D1007-L1011 PolarHBondContact O-N 3.3Å; D1007-G1112 WeakPolarHBondContact OD1-CA 3.31Å; D1007-G1112 VanDerWaalsContact OD2-CA 3.31Å; D1007-G1112 WeakPolarHBondContact OD2-CA 3.22Å; D1007-G1112 PolarHBondContact OD2-N 3.17Å; D1007-R1115 WeakPolarHBondContact OD1-CB 3.28Å; D1007-R1115 PolarHBondContact OD1-N 3.14Å
1008	A	65.3	Low	60.1	Low	59 Å²	59	97 Å²	97	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-38.5	176	0	0	0	0	0	112.5	E1004 Q1006 K1012	E1004-A1008 WeakPolarHBondContact O-CB 3.43Å; E1004-A1008 PolarHBondContact O-N 3.1Å; Q1006-A1008 VanDerWaalsContact C-N 3.34Å; A1008-K1012 PolarHBondContact O-N 3.23Å; A1008-K1012 VanDerWaalsContact O-N 3.1Å
1009	A	64.9	Low	59.1	Low	50 Å²	50	100.6 Å²	100.6	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-41.2	175.5	0	0	0	0	0	112.1	E1005 Q1006 D1007 K1012 Q1013	E1005-A1009 WeakPolarHBondContact O-CB 3.19Å; E1005-A1009 PolarHBondContact O-N 3.23Å; Q1006-A1009 PolarHBondContact O-N 3.29Å; D1007-A1009 VanDerWaalsContact C-N 3.34Å; D1007-A1009 PolarHBondContact O-N 3.4Å; A1009-K1012 PolarHBondContact O-N 3.13Å; A1009-Q1013 PolarHBondContact O-N 3.42Å
1010	A	61.7	Low	58.3	Low	18 Å²	18	100.1 Å²	100.1	15%	0.149	52%	0.521	C	S	.	.	H	α-helix	trans	-61.8	-43.4	176.3	0	0	0	0	0	111.6	Q1006 D1007 Q1013 L1014	Q1006-A1010 PolarHBondContact O-N 3.07Å; D1007-A1010 PolarHBondContact O-N 3.16Å; A1010-Q1013 PolarHBondContact O-N 3.41Å; A1010-L1014 PolarHBondContact O-N 3.4Å; A1010-L1014 VanDerWaalsContact O-N 3.17Å
1011	L	64.9	Low	57.8	Low	74 Å²	74	97.1 Å²	97.1	39%	0.387	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-41.9	177.2	-146.4	94	0	0	0	112	D1007 L1014 Q1015 L1114	D1007-L1011 PolarHBondContact O-N 3.3Å; L1011-L1014 PolarHBondContact O-N 3.28Å; L1011-Q1015 WeakPolarHBondContact O-CG 3.42Å; L1011-Q1015 PolarHBondContact O-N 3.06Å; L1011-Q1015 VanDerWaalsContact O-N 3.08Å; L1011-L1114 HydrophobicContact CD1-CD1 3.93Å; L1011-L1114 HydrophobicContact CD1-CD2 3.94Å
1012	K	65.9	Low	57.3	Low	140 Å²	140	101.3 Å²	101.3	61%	0.609	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-41.5	175.9	-92.2	-176.7	176	175.7	0	112.6	A1008 A1009 L1014 Q1015 Q1016	A1008-K1012 PolarHBondContact O-N 3.23Å; A1008-K1012 VanDerWaalsContact O-N 3.1Å; A1009-K1012 PolarHBondContact O-N 3.13Å; K1012-L1014 VanDerWaalsContact C-N 3.32Å; K1012-L1014 PolarHBondContact O-N 3.24Å; K1012-Q1015 PolarHBondContact O-N 3.14Å; K1012-Q1016 WeakPolarHBondContact O-CG 3.35Å; K1012-Q1016 PolarHBondContact O-N 3.38Å
1013	Q	62.9	Low	56.3	Low	136 Å²	136	106.1 Å²	106.1	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-65.3	-36	178.1	-78.1	-170.6	0.1	0	0	112.5	A1009 A1010 K1017	A1009-Q1013 PolarHBondContact O-N 3.42Å; A1010-Q1013 PolarHBondContact O-N 3.41Å; Q1013-K1017 PolarHBondContact O-N 3.12Å
1014	L	62.4	Low	55.6	Low	56 Å²	56	109.9 Å²	109.9	29%	0.293	56%	0.559	S	S	.	*	H	α-helix	trans	-68.6	-39.7	175.5	-74.1	166.5	0	0	0	112.1	A1010 L1011 K1012 T1118 V1128 V1131	A1010-L1014 PolarHBondContact O-N 3.4Å; A1010-L1014 VanDerWaalsContact O-N 3.17Å; L1011-L1014 PolarHBondContact O-N 3.28Å; K1012-L1014 VanDerWaalsContact C-N 3.32Å; K1012-L1014 PolarHBondContact O-N 3.24Å; L1014-T1118 HydrophobicContact CD1-CG2 3.63Å; L1014-V1128 HydrophobicContact CD2-CB 4.17Å; L1014-V1128 HydrophobicContact CD2-CG1 4.49Å; L1014-V1131 HydrophobicContact CD1-CG2 4.36Å
1015	Q	60.5	Low	54.7	Low	129 Å²	129	107.9 Å²	107.9	60%	0.603	56%	0.562	S	S	*	*	H	α-helix	trans	-69.5	-33.7	177.8	-72	177.7	-10.7	0	0	113	L1011 K1012 K1017 S1018	L1011-Q1015 WeakPolarHBondContact O-CG 3.42Å; L1011-Q1015 PolarHBondContact O-N 3.06Å; L1011-Q1015 VanDerWaalsContact O-N 3.08Å; K1012-Q1015 PolarHBondContact O-N 3.14Å; Q1015-K1017 VanDerWaalsContact C-N 3.35Å; Q1015-K1017 PolarHBondContact O-N 3.38Å; Q1015-S1018 PolarHBondContact O-OG 3.02Å
1016	Q	55.4	Low	54	Low	160 Å²	160	111.2 Å²	111.2	75%	0.748	58%	0.575	S	S	*	*	H	α-helix	trans	-73.5	-23.4	179.3	-75.1	-179.7	-5.5	0	0	113.6	K1012 S1018	K1012-Q1016 WeakPolarHBondContact O-CG 3.35Å; K1012-Q1016 PolarHBondContact O-N 3.38Å; Q1016-S1018 PolarHBondContact O-N 2.75Å
1017	K	50.5	Low	53.8	Low	163 Å²	163	111.5 Å²	111.5	71%	0.709	58%	0.578	S	S	*	*			trans	-84.3	51.8	174.2	-74.3	-176.1	177	177.5	0	112.2	Q1013 Q1015 Y1019	Q1013-K1017 PolarHBondContact O-N 3.12Å; Q1015-K1017 VanDerWaalsContact C-N 3.35Å; Q1015-K1017 PolarHBondContact O-N 3.38Å; K1017-Y1019 VanDerWaalsContact C-N 3.25Å; K1017-Y1019 PolarHBondContact O-N 2.88Å
1018	S	44.5	Very low	53.5	Low	105 Å²	105	115.5 Å²	115.5	73%	0.734	60%	0.6	S	S	*	*			trans	-66.1	86.4	168	-59.9	0	0	0	0	109.1	Q1015 Q1016 T1020	Q1015-S1018 PolarHBondContact O-OG 3.02Å; Q1016-S1018 PolarHBondContact O-N 2.75Å; S1018-T1020 PolarHBondContact O-N 3.49Å
1019	Y	48.3	Very low	53.4	Low	169 Å²	169	113.3 Å²	113.3	66%	0.663	58%	0.583	S	S	*	*			trans	-66.9	114.5	177	-124.7	-91.9	0	0	0	108.6	K1017	K1017-Y1019 VanDerWaalsContact C-N 3.25Å; K1017-Y1019 PolarHBondContact O-N 2.88Å
1020	T	44.7	Very low	53.9	Low	118 Å²	118	112.2 Å²	112.2	72%	0.724	57%	0.568	S	S	*	*			trans	-65.5	126.8	164.2	10.2	0	0	0	0	106.9	S1018 Q1022	S1018-T1020 PolarHBondContact O-N 3.49Å; T1020-Q1022 PolarHBondContact O-N 3.17Å
1021	P	43.8	Very low	54.8	Low	121 Å²	121	111.4 Å²	111.4	79%	0.786	56%	0.561	S	S	*	*			trans	-62	110.7	178.8	-1.4	9.3	0	0	0	108.2	N1023	P1021-N1023 PolarHBondContact O-N 3.5Å
1022	Q	44.1	Very low	55.7	Low	163 Å²	163	109.3 Å²	109.3	76%	0.762	55%	0.552	S	S	*	*			trans	-63.4	125.9	171.7	-81.4	-175.6	-19.7	0	0	108.4	T1020 R1024	T1020-Q1022 PolarHBondContact O-N 3.17Å; Q1022-R1024 PolarHBondContact O-N 3.44Å
1023	N	40	Very low	56.5	Low	157 Å²	157	103 Å²	103	84%	0.84	52%	0.524	S	S	*	.			trans	-37.8	105.1	175.7	-82.4	-31.4	0	0	0	112.1	P1021 S1025	P1021-N1023 PolarHBondContact O-N 3.5Å; N1023-S1025 VanDerWaalsContact C-N 3.31Å; N1023-S1025 PolarHBondContact O-N 3.08Å
1024	R	42	Very low	57.4	Low	122 Å²	122	103.3 Å²	103.3	46%	0.46	53%	0.526	S	S	.	.			trans	-76.7	84.4	169.3	-68.2	-178.5	-179.8	-166.2	-0.1	108.2	Q1022 K1026 G1098 E1149	Q1022-R1024 PolarHBondContact O-N 3.44Å; R1024-K1026 VanDerWaalsContact C-N 3.33Å; R1024-G1098 VanDerWaalsContact CZ-O 3.25Å; R1024-G1098 PolarHBondContact NH1-O 3.34Å; R1024-G1098 PolarHBondContact NH2-O 3.03Å; R1024-E1149 IonicContact NH2-OE1 3.73Å; R1024-E1149 PolarHBondContact NH2-OE1 3.04Å
1025	S	41.3	Very low	58.1	Low	111 Å²	111	104 Å²	104	78%	0.776	55%	0.546	S	S	*	.			trans	-88.2	15	179.9	64.1	0	0	0	0	114.7	N1023	N1023-S1025 VanDerWaalsContact C-N 3.31Å; N1023-S1025 PolarHBondContact O-N 3.08Å
1026	K	47.6	Very low	59	Low	187 Å²	187	101.7 Å²	101.7	81%	0.813	54%	0.541	S	S	*	.			trans	-142.1	79.2	172.4	-74	-174.3	176.3	179.5	0	110.8	R1024 N1028	R1024-K1026 VanDerWaalsContact C-N 3.33Å; K1026-N1028 VanDerWaalsContact C-N 3.35Å
1027	D	55	Low	59.9	Low	68 Å²	68	95.7 Å²	95.7	36%	0.364	52%	0.522	S	S	.	.			trans	-89.9	0.7	172	-103.5	28.5	0	0	0	113.3	G1029 R1030	D1027-G1029 PolarHBondContact O-N 3.17Å; D1027-R1030 VanDerWaalsContact CG-NH1 3.26Å; D1027-R1030 IonicContact OD1-CZ 2.87Å; D1027-R1030 IonicContact OD1-NE 3.96Å; D1027-R1030 IonicContact OD1-NH1 2.82Å; D1027-R1030 PolarHBondContact OD1-NH1 3.35Å; D1027-R1030 IonicContact OD1-NH2 3.8Å; D1027-R1030 PolarHBondContact OD1-NH2 3.35Å; D1027-R1030 IonicContact OD2-CZ 3.31Å; D1027-R1030 IonicContact OD2-NH1 3.96Å; D1027-R1030 PolarHBondContact OD2-NH1 3.47Å; D1027-R1030 VanDerWaalsContact OD2-NH1 3.14Å
1028	N	57.7	Low	61.1	Low	120 Å²	120	92.9 Å²	92.9	64%	0.642	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	93.1	-178.4	-72	2.6	0	0	0	110.8	K1026 N1038	K1026-N1028 VanDerWaalsContact C-N 3.35Å; N1028-N1038 VanDerWaalsContact CA-OD1 3.22Å; N1028-N1038 WeakPolarHBondContact CA-OD1 3.31Å; N1028-N1038 WeakPolarHBondContact CB-OD1 3.41Å
1029	G	64.3	Low	62.8	Low	13 Å²	13	91.1 Å²	91.1	13%	0.134	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	135.1	5.5	171.1	0	0	0	0	0	117.1	D1027 G1092	D1027-G1029 PolarHBondContact O-N 3.17Å; G1029-G1092 WeakPolarHBondContact O-CA 3.39Å
1030	R	75.4	Confident	64.5	Low	26 Å²	26	89.7 Å²	89.7	10%	0.098	50%	0.498	C	S	.	.	S	Bend	trans	-73.6	-41.8	-178.6	-78.4	-172.9	-176.3	136.2	22	114.6	D1027 G1092 Y1099	D1027-R1030 VanDerWaalsContact CG-NH1 3.26Å; D1027-R1030 IonicContact OD1-CZ 2.87Å; D1027-R1030 IonicContact OD1-NE 3.96Å; D1027-R1030 IonicContact OD1-NH1 2.82Å; D1027-R1030 PolarHBondContact OD1-NH1 3.35Å; D1027-R1030 IonicContact OD1-NH2 3.8Å; D1027-R1030 PolarHBondContact OD1-NH2 3.35Å; D1027-R1030 IonicContact OD2-CZ 3.31Å; D1027-R1030 IonicContact OD2-NH1 3.96Å; D1027-R1030 PolarHBondContact OD2-NH1 3.47Å; D1027-R1030 VanDerWaalsContact OD2-NH1 3.14Å; R1030-G1092 PolarHBondContact O-N 2.72Å; R1030-Y1099 WeakPolarHBondContact CD-OH 3.42Å
1031	V	80.2	Confident	66.5	Low	1 Å²	1	85.8 Å²	85.8	1%	0.006	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.7	-178.4	-177.7	0	0	0	0	108.3	V1033 I1055 V1067 A1089 W1091	V1031-V1033 HydrophobicContact CG1-CG2 4.03Å; V1031-I1055 HydrophobicContact CG1-CD1 3.93Å; V1031-I1055 HydrophobicContact CG2-CD1 4.33Å; V1031-V1067 HydrophobicContact CG1-CG2 4.2Å; V1031-V1067 HydrophobicContact CG2-CG2 4.31Å; V1031-A1089 HydrophobicContact CG1-CB 3.95Å; V1031-W1091 HydrophobicContact CG2-CE3 4.33Å; V1031-W1091 HydrophobicContact CG2-CZ3 4.29Å
1032	V	82.9	Confident	68.5	Low	31 Å²	31	83 Å²	83	19%	0.188	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	175	178.8	0	0	0	0	106.6	A1089 V1090	V1032-A1089 WeakPolarHBondContact O-CA 3.44Å; V1032-V1090 HydrophobicContact CB-CG2 3.87Å; V1032-V1090 HydrophobicContact CG1-CG2 4.35Å; V1032-V1090 PolarHBondContact N-O 3.22Å; V1032-V1090 PolarHBondContact O-N 2.95Å
1033	V	83.9	Confident	70.6	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.036	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.8	-178.6	-178	0	0	0	0	107.9	V1031 G1035 V1036 L1039 I1065 V1087 D1088 A1089	V1031-V1033 HydrophobicContact CG1-CG2 4.03Å; V1033-G1035 PolarHBondContact O-N 3.08Å; V1033-G1035 VanDerWaalsContact O-N 3.14Å; V1033-V1036 PolarHBondContact N-O 3.08Å; V1033-V1036 WeakPolarHBondContact O-CA 3.38Å; V1033-V1036 WeakPolarHBondContact O-CB 3.41Å; V1033-V1036 PolarHBondContact O-N 3.43Å; V1033-L1039 HydrophobicContact CB-CD1 3.87Å; V1033-L1039 HydrophobicContact CG2-CD1 4.47Å; V1033-I1065 HydrophobicContact CB-CD1 4.09Å; V1033-I1065 HydrophobicContact CG1-CD1 3.94Å; V1033-I1065 HydrophobicContact CG2-CD1 3.78Å; V1033-I1065 HydrophobicContact CG2-CG2 4.48Å; V1033-V1087 HydrophobicContact CG1-CB 3.67Å; V1033-V1087 HydrophobicContact CG1-CG2 3.43Å; V1033-V1087 VanDerWaalsContact CG1-CG2 3.43Å; V1033-D1088 WeakPolarHBondContact CA-O 3.18Å; V1033-D1088 WeakPolarHBondContact CG1-O 3.34Å; V1033-A1089 HydrophobicContact CG2-CB 4.12Å
1034	E	80.7	Confident	72.8	Confident	144 Å²	144	70.7 Å²	70.7	67%	0.673	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	40.7	-175.2	-61.6	-166.2	143.9	0	0	114.2	V1036 D1088	E1034-V1036 PolarHBondContact O-N 2.91Å; E1034-D1088 PolarHBondContact N-O 3.42Å
1035	G	76.9	Confident	74.7	Confident	69 Å²	69	75.4 Å²	75.4	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-2.8	-178.5	0	0	0	0	0	115.3	V1033	V1033-G1035 PolarHBondContact O-N 3.08Å; V1033-G1035 VanDerWaalsContact O-N 3.14Å
1036	V	79.1	Confident	76.8	Confident	81 Å²	81	71.2 Å²	71.2	49%	0.491	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-98.2	112.5	177.8	-174.1	0	0	0	0	110.1	V1033 E1034 L1039	V1033-V1036 PolarHBondContact N-O 3.08Å; V1033-V1036 WeakPolarHBondContact O-CA 3.38Å; V1033-V1036 WeakPolarHBondContact O-CB 3.41Å; V1033-V1036 PolarHBondContact O-N 3.43Å; E1034-V1036 PolarHBondContact O-N 2.91Å; V1036-L1039 HydrophobicContact CB-CD1 3.99Å; V1036-L1039 HydrophobicContact CG1-CD1 4.01Å; V1036-L1039 HydrophobicContact CG1-CG 4.07Å
1037	G	75.1	Confident	78.5	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	34%	0.338	S	S	.	.			trans	-77.7	171.9	170.1	0	0	0	0	0	112.5	L1039	G1037-L1039 VanDerWaalsContact C-N 3.27Å; G1037-L1039 PolarHBondContact O-N 3.26Å
1038	N	75.3	Confident	79.8	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	33%	0.33	S	S	*	.	S	Bend	trans	61.3	23.1	174.5	-62.3	-20.9	0	0	0	116.3	N1028	N1028-N1038 VanDerWaalsContact CA-OD1 3.22Å; N1028-N1038 WeakPolarHBondContact CA-OD1 3.31Å; N1028-N1038 WeakPolarHBondContact CB-OD1 3.41Å
1039	L	80.5	Confident	81.2	Confident	68 Å²	68	55.5 Å²	55.5	36%	0.356	30%	0.299	S	S	.	.			trans	-77.3	146.1	168	-71.8	165.3	0	0	0	110.9	V1033 V1036 G1037 H1041 I1065	V1033-L1039 HydrophobicContact CB-CD1 3.87Å; V1033-L1039 HydrophobicContact CG2-CD1 4.47Å; V1036-L1039 HydrophobicContact CB-CD1 3.99Å; V1036-L1039 HydrophobicContact CG1-CD1 4.01Å; V1036-L1039 HydrophobicContact CG1-CG 4.07Å; G1037-L1039 VanDerWaalsContact C-N 3.27Å; G1037-L1039 PolarHBondContact O-N 3.26Å; L1039-H1041 PolarHBondContact O-N 2.69Å; L1039-H1041 VanDerWaalsContact O-N 3.15Å; L1039-H1041 PolarHBondContact O-ND1 2.78Å; L1039-I1065 HydrophobicContact CB-CD1 4.26Å; L1039-I1065 HydrophobicContact CD1-CD1 4.11Å
1040	M	84.5	Confident	82.3	Confident	139 Å²	139	54.9 Å²	54.9	69%	0.685	29%	0.293	S	S	*	.			trans	-63.4	116.4	173.2	-177	-178.3	-70.5	0	0	108.7	G1064 I1065	M1040-G1064 CarbonylContact O-C 3.59Å; M1040-G1064 VanDerWaalsContact O-CA 3.25Å; M1040-G1064 WeakPolarHBondContact O-CA 3.41Å; M1040-I1065 PolarHBondContact O-N 3.07Å
1041	H	86.1	Confident	82.7	Confident	36 Å²	36	54.1 Å²	54.1	17%	0.167	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.6	-178.9	64.4	-83.7	0	0	0	111.2	L1039 I1065 V1067	L1039-H1041 PolarHBondContact O-N 2.69Å; L1039-H1041 VanDerWaalsContact O-N 3.15Å; L1039-H1041 PolarHBondContact O-ND1 2.78Å; H1041-I1065 CarbonylContact C-O 3.58Å; H1041-I1065 WeakPolarHBondContact CA-O 3.46Å; H1041-I1065 HydrophobicContact CB-CB 4.23Å; H1041-V1067 HydrophobicContact CB-CG2 4.06Å
1042	H	86.4	Confident	82.8	Confident	63 Å²	63	56.7 Å²	56.7	29%	0.292	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.3	172.1	66.5	53.3	0	0	0	111.2	R1063 I1065 S1066 V1067	H1042-R1063 PolarHBondContact CD2-O 3.47Å; H1042-I1065 PolarHBondContact N-O 3.34Å; H1042-S1066 VanDerWaalsContact CE1-CB 3.41Å; H1042-S1066 WeakPolarHBondContact CE1-CB 3.25Å; H1042-S1066 PolarHBondContact CE1-OG 2.91Å; H1042-V1067 PolarHBondContact O-N 2.81Å
1043	I	87.3	Confident	83	Confident	55 Å²	55	56 Å²	56	28%	0.282	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.4	176.3	-59.2	-61.3	0	0	0	110.4	P1049 V1067 W1091 Y1099	I1043-P1049 HydrophobicContact CD1-CG 4.35Å; I1043-P1049 HydrophobicContact CG2-CG 3.95Å; I1043-V1067 HydrophobicContact CD1-CB 4.11Å; I1043-V1067 HydrophobicContact CD1-CG1 4.2Å; I1043-W1091 HydrophobicContact CD1-CH2 3.9Å; I1043-W1091 HydrophobicContact CD1-CZ3 4.34Å; I1043-Y1099 HydrophobicContact CD1-CE1 4.44Å; I1043-Y1099 HydrophobicContact CG1-CD1 4.45Å; I1043-Y1099 HydrophobicContact CG1-CE1 4.39Å
1044	A	86.5	Confident	83.3	Confident	6 Å²	6	63.3 Å²	63.3	5%	0.05	35%	0.348	C	S	.	.			trans	-71.5	139	178.8	0	0	0	0	0	112.2	Q1048 V1067 H1068	A1044-Q1048 VanDerWaalsContact O-CA 3.25Å; A1044-Q1048 WeakPolarHBondContact O-CA 3.26Å; A1044-Q1048 PolarHBondContact O-N 2.81Å; A1044-V1067 VanDerWaalsContact CB-O 3.25Å; A1044-V1067 WeakPolarHBondContact CB-O 3.38Å; A1044-V1067 PolarHBondContact N-O 3.21Å; A1044-H1068 VanDerWaalsContact CB-CE1 3.44Å; A1044-H1068 WeakPolarHBondContact CB-CE1 3.11Å; A1044-H1068 WeakPolarHBondContact CB-NE2 3.49Å
1045	R	82.6	Confident	83.8	Confident	221 Å²	221	57 Å²	57	83%	0.834	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.3	-176.4	-67.9	-174.1	-179.7	-174	-0.7	114.6	Q1048	R1045-Q1048 WeakPolarHBondContact O-CG 3.18Å
1046	C	84	Confident	84.5	Confident	22 Å²	22	54.2 Å²	54.2	15%	0.149	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-46.4	180	48.5	0	0	0	0	111.9	H1068 C1072 Q1074 H1176 G1177	C1046-H1068 PolarHBondContact SG-CE1 3.03Å; C1046-H1068 PolarHBondContact SG-ND1 3.18Å; C1046-C1072 PolarHBondContact SG-SG 3.36Å; C1046-Q1074 HydrophobicContact CB-CG 4.26Å; C1046-H1176 CarbonylContact O-C 3.59Å; C1046-G1177 WeakPolarHBondContact CA-O 3.26Å; C1046-G1177 WeakPolarHBondContact O-CA 3.48Å; C1046-G1177 PolarHBondContact O-N 2.74Å
1047	C	83.2	Confident	85.1	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.034	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-20.9	-178.7	50	0	0	0	0	114.6	H1068 R1069 C1072 R1174	C1047-H1068 VanDerWaalsContact SG-CA 3.52Å; C1047-R1069 HydrophobicContact CB-CB 3.87Å; C1047-R1069 PolarHBondContact SG-N 3.35Å; C1047-C1072 HydrophobicContact CB-CB 3.88Å; C1047-R1174 PolarHBondContact O-NH2 3.49Å
1048	Q	83.7	Confident	86	Confident	39 Å²	39	49.5 Å²	49.5	18%	0.182	25%	0.251	C	S	.	.			trans	50.4	46.6	178.1	-56.8	-175.6	-39.6	0	0	116.1	A1044 R1045 R1174	A1044-Q1048 VanDerWaalsContact O-CA 3.25Å; A1044-Q1048 WeakPolarHBondContact O-CA 3.26Å; A1044-Q1048 PolarHBondContact O-N 2.81Å; R1045-Q1048 WeakPolarHBondContact O-CG 3.18Å; Q1048-R1174 PolarHBondContact O-NH2 2.97Å
1049	P	87	Confident	86.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.241	C	C	.	.			trans	-55.4	143.6	-171.8	23.6	-36	0	0	0	113.9	I1043 D1053 I1055 V1067 R1069 W1091	I1043-P1049 HydrophobicContact CD1-CG 4.35Å; I1043-P1049 HydrophobicContact CG2-CG 3.95Å; P1049-D1053 WeakPolarHBondContact CA-OD2 3.33Å; P1049-D1053 HydrophobicContact CB-CB 4.28Å; P1049-I1055 HydrophobicContact CB-CG2 3.47Å; P1049-I1055 VanDerWaalsContact CB-CG2 3.47Å; P1049-I1055 HydrophobicContact CG-CG2 3.98Å; P1049-V1067 HydrophobicContact CG-CG1 4.22Å; P1049-V1067 WeakPolarHBondContact CG-O 3.35Å; P1049-R1069 HydrophobicContact CB-CB 4.34Å; P1049-W1091 HydrophobicContact CB-CZ2 4.12Å; P1049-W1091 WeakPolarHBondContact O-CH2 3.42Å
1050	I	86.4	Confident	87.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.			trans	-125.4	162	177.7	62.4	172.8	0	0	0	111.3	G1052 D1053 W1091 Y1099 L1101 I1150 L1153 L1156	I1050-G1052 PolarHBondContact O-N 2.84Å; I1050-G1052 VanDerWaalsContact O-N 3.13Å; I1050-D1053 PolarHBondContact N-OD2 3Å; I1050-D1053 WeakPolarHBondContact O-CB 3.48Å; I1050-D1053 PolarHBondContact O-N 3.23Å; I1050-W1091 WeakPolarHBondContact O-CZ2 3.29Å; I1050-Y1099 HydrophobicContact CG2-CG 4.19Å; I1050-L1101 HydrophobicContact CD1-CD2 4.03Å; I1050-L1101 HydrophobicContact CG2-CD2 4.07Å; I1050-I1150 HydrophobicContact CD1-CG2 3.83Å; I1050-I1150 HydrophobicContact CG2-CG2 4.34Å; I1050-L1153 HydrophobicContact CD1-CB 4.38Å; I1050-L1153 HydrophobicContact CD1-CD1 4.1Å; I1050-L1153 HydrophobicContact CG1-CD1 4.43Å; I1050-L1156 HydrophobicContact CD1-CB 4.23Å; I1050-L1156 HydrophobicContact CD1-CD2 3.79Å
1051	P	84.4	Confident	87.2	Confident	10 Å²	10	48.3 Å²	48.3	7%	0.065	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	120.8	178.4	-28.2	35.2	0	0	0	112.6	W1091 Y1095 Y1099 N1152 L1153	P1051-W1091 HydrophobicContact CB-CD2 4.36Å; P1051-W1091 HydrophobicContact CG-CD2 4.3Å; P1051-W1091 HydrophobicContact CG-CE3 4Å; P1051-W1091 HydrophobicContact CG-CH2 4.46Å; P1051-W1091 HydrophobicContact CG-CZ3 4.1Å; P1051-Y1095 HydrophobicContact CB-CG 4.35Å; P1051-Y1095 HydrophobicContact CG-CG 4.25Å; P1051-Y1099 VanDerWaalsContact CD-CD2 3.44Å; P1051-Y1099 HydrophobicContact CG-CD2 3.98Å; P1051-Y1099 HydrophobicContact CG-CE2 3.35Å; P1051-N1152 HydrophobicContact CB-CB 4.49Å; P1051-L1153 PolarHBondContact O-N 3.39Å
1052	G	83.1	Confident	86.8	Confident	56 Å²	56	49.8 Å²	49.8	58%	0.577	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.1	-23.2	-173.2	0	0	0	0	0	114	I1050	I1050-G1052 PolarHBondContact O-N 2.84Å; I1050-G1052 VanDerWaalsContact O-N 3.13Å
1053	D	86.8	Confident	86.6	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.091	29%	0.286	C	S	.	.	S	Bend	trans	-74.1	137.2	169.2	-71.8	-26.2	0	0	0	109.8	P1049 I1050 I1055 R1069 W1091 R1174	P1049-D1053 WeakPolarHBondContact CA-OD2 3.33Å; P1049-D1053 HydrophobicContact CB-CB 4.28Å; I1050-D1053 PolarHBondContact N-OD2 3Å; I1050-D1053 WeakPolarHBondContact O-CB 3.48Å; I1050-D1053 PolarHBondContact O-N 3.23Å; D1053-I1055 PolarHBondContact O-N 3.04Å; D1053-R1069 HydrophobicContact CB-CG 3.99Å; D1053-W1091 PolarHBondContact O-NE1 2.81Å; D1053-R1174 IonicContact OD1-NH1 3.47Å; D1053-R1174 IonicContact OD2-CZ 3.74Å; D1053-R1174 IonicContact OD2-NH1 3.97Å; D1053-R1174 PolarHBondContact OD2-NH1 2.83Å; D1053-R1174 IonicContact OD2-NH2 2.73Å; D1053-R1174 PolarHBondContact OD2-NH2 2.86Å; D1053-R1174 VanDerWaalsContact OD2-NH2 3.08Å
1054	E	89.3	Confident	86.6	Confident	159 Å²	159	54 Å²	54	74%	0.743	28%	0.283	S	S	*	.			trans	-66	131.5	167	-73.8	-171.2	173.9	0	0	109.7	R1069 A1070	E1054-R1069 CarbonylContact O-C 3.55Å; E1054-R1069 WeakPolarHBondContact O-CA 3.48Å; E1054-R1069 WeakPolarHBondContact O-CG 3.35Å; E1054-A1070 HydrophobicContact CB-CB 3.86Å; E1054-A1070 PolarHBondContact O-N 2.99Å
1055	I	91.4	Very high	86.7	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.7	-173	52.7	164.7	0	0	0	112.4	V1031 P1049 D1053 V1067 H1068 A1089 W1091	V1031-I1055 HydrophobicContact CG1-CD1 3.93Å; V1031-I1055 HydrophobicContact CG2-CD1 4.33Å; P1049-I1055 HydrophobicContact CB-CG2 3.47Å; P1049-I1055 VanDerWaalsContact CB-CG2 3.47Å; P1049-I1055 HydrophobicContact CG-CG2 3.98Å; D1053-I1055 PolarHBondContact O-N 3.04Å; I1055-V1067 HydrophobicContact CB-CG1 3.79Å; I1055-V1067 HydrophobicContact CD1-CG1 3.79Å; I1055-V1067 HydrophobicContact CG1-CG1 4.38Å; I1055-V1067 HydrophobicContact CG2-CG1 3.89Å; I1055-H1068 CarbonylContact C-O 3.57Å; I1055-H1068 WeakPolarHBondContact CA-O 3.31Å; I1055-H1068 WeakPolarHBondContact CB-O 3.41Å; I1055-A1089 HydrophobicContact CD1-CB 4.02Å; I1055-A1089 HydrophobicContact CG1-CB 4.17Å; I1055-A1089 VanDerWaalsContact O-O 3.12Å; I1055-W1091 HydrophobicContact CD1-CD2 4.04Å; I1055-W1091 HydrophobicContact CD1-CG 4.23Å; I1055-W1091 HydrophobicContact CD1-CZ2 4.34Å; I1055-W1091 HydrophobicContact CG2-CZ2 3.73Å
1056	V	92	Very high	87.2	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.8	175.8	176	0	0	0	0	107.8	H1068 A1070 L1075 I1086	V1056-H1068 PolarHBondContact N-O 3.19Å; V1056-H1068 PolarHBondContact O-N 3.41Å; V1056-A1070 HydrophobicContact CG2-CB 3.91Å; V1056-L1075 HydrophobicContact CB-CD1 4.49Å; V1056-L1075 HydrophobicContact CB-CD2 3.65Å; V1056-L1075 HydrophobicContact CG1-CD1 4.1Å; V1056-L1075 HydrophobicContact CG1-CD2 3.96Å; V1056-L1075 HydrophobicContact CG2-CD2 4.13Å; V1056-I1086 HydrophobicContact CG1-CG2 3.49Å; V1056-I1086 VanDerWaalsContact CG1-CG2 3.49Å
1057	G	91.5	Very high	87.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	142	175.7	0	0	0	0	0	111.8	I1065 S1066 I1086 V1087	G1057-I1065 VanDerWaalsContact CA-CG2 3.47Å; G1057-S1066 CarbonylContact C-O 3.58Å; G1057-S1066 WeakPolarHBondContact CA-O 3.47Å; G1057-I1086 WeakPolarHBondContact O-CA 3.23Å; G1057-V1087 PolarHBondContact N-O 3.06Å; G1057-V1087 WeakPolarHBondContact O-CG2 3.28Å; G1057-V1087 PolarHBondContact O-N 3.31Å
1058	F	93.6	Very high	87.9	Confident	16 Å²	16	43.6 Å²	43.6	7%	0.07	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.6	166.3	-177.7	-96.2	0	0	0	109.3	T1060 S1066 L1075 L1078 A1082 R1085 I1086	F1058-T1060 HydrophobicContact CD1-CG2 4.43Å; F1058-T1060 PolarHBondContact O-N 2.88Å; F1058-T1060 VanDerWaalsContact O-N 3.15Å; F1058-S1066 PolarHBondContact N-O 3.47Å; F1058-S1066 PolarHBondContact O-N 2.87Å; F1058-L1075 HydrophobicContact CB-CD1 4.49Å; F1058-L1078 HydrophobicContact CB-CD1 4.32Å; F1058-L1078 HydrophobicContact CD1-CD1 3.86Å; F1058-L1078 HydrophobicContact CD1-CD2 4.41Å; F1058-L1078 HydrophobicContact CD2-CB 3.79Å; F1058-L1078 HydrophobicContact CD2-CD1 4.11Å; F1058-L1078 HydrophobicContact CD2-CG 4.39Å; F1058-L1078 HydrophobicContact CE1-CD1 4.17Å; F1058-L1078 HydrophobicContact CE1-CD2 3.86Å; F1058-L1078 HydrophobicContact CE1-CG 4.48Å; F1058-L1078 HydrophobicContact CE2-CB 3.69Å; F1058-L1078 HydrophobicContact CE2-CD1 4.41Å; F1058-L1078 HydrophobicContact CE2-CD2 4.1Å; F1058-L1078 HydrophobicContact CE2-CG 4.27Å; F1058-L1078 HydrophobicContact CG-CB 4.38Å; F1058-L1078 HydrophobicContact CG-CD1 3.83Å; F1058-L1078 HydrophobicContact CZ-CB 4.2Å; F1058-L1078 HydrophobicContact CZ-CD1 4.44Å; F1058-L1078 HydrophobicContact CZ-CD2 3.69Å; F1058-L1078 HydrophobicContact CZ-CG 4.32Å; F1058-A1082 HydrophobicContact CE2-CB 4.4Å; F1058-A1082 HydrophobicContact CZ-CB 4.46Å; F1058-R1085 CarbonylContact C-O 3.56Å; F1058-R1085 WeakPolarHBondContact CA-O 3.46Å; F1058-R1085 HydrophobicContact CD2-CB 4.05Å; F1058-R1085 HydrophobicContact CE2-CB 3.59Å; F1058-R1085 HydrophobicContact CZ-CB 3.94Å; F1058-I1086 HydrophobicContact CD2-CG1 3.85Å
1059	I	92.2	Very high	88.2	Confident	68 Å²	68	43.8 Å²	43.8	35%	0.349	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	112.7	178.9	-59.2	172.8	0	0	0	108.2	I1065 R1085 V1087	I1059-I1065 HydrophobicContact CG1-CG1 4.33Å; I1059-R1085 HydrophobicContact CB-CB 4.33Å; I1059-R1085 PolarHBondContact N-O 2.94Å; I1059-R1085 PolarHBondContact O-NE 3.4Å; I1059-R1085 PolarHBondContact O-NH2 3.14Å; I1059-V1087 HydrophobicContact CD1-CG1 3.73Å; I1059-V1087 HydrophobicContact CG1-CG1 4.08Å; I1059-V1087 HydrophobicContact CG1-CG2 4.17Å
1060	T	89.5	Confident	88.3	Confident	34 Å²	34	45.5 Å²	45.5	21%	0.209	26%	0.255	C	S	.	.			trans	-85.4	166.3	176.2	73.1	0	0	0	0	111.5	F1058 G1062 R1063 G1064 R1085	F1058-T1060 HydrophobicContact CD1-CG2 4.43Å; F1058-T1060 PolarHBondContact O-N 2.88Å; F1058-T1060 VanDerWaalsContact O-N 3.15Å; T1060-G1062 PolarHBondContact O-N 3.43Å; T1060-R1063 WeakPolarHBondContact OG1-CA 3.25Å; T1060-R1063 PolarHBondContact OG1-N 3Å; T1060-G1064 WeakPolarHBondContact CB-O 3.3Å; T1060-G1064 PolarHBondContact N-O 2.77Å; T1060-G1064 PolarHBondContact OG1-N 3.26Å; T1060-G1064 PolarHBondContact OG1-O 3.11Å; T1060-R1085 VanDerWaalsContact CA-NH2 3.33Å; T1060-R1085 PolarHBondContact O-NH2 3.05Å
1061	Q	84	Confident	88.4	Confident	184 Å²	184	50.4 Å²	50.4	86%	0.86	28%	0.281	S	S	*	.	S	Bend	trans	-73.7	-11.9	-177.4	-76.4	-176.9	-26.6	0	0	113.4
1062	G	78.7	Confident	88.6	Confident	67 Å²	67	50.3 Å²	50.3	69%	0.691	28%	0.281	S	S	*	.	S	Bend	trans	-164.7	-3	-176	0	0	0	0	0	117.6	T1060	T1060-G1062 PolarHBondContact O-N 3.43Å
1063	R	80.5	Confident	88.8	Confident	186 Å²	186	55.1 Å²	55.1	70%	0.702	29%	0.288	S	S	*	.	S	Bend	trans	-109.7	19.1	179	-58.5	-177	-174.7	156.1	2.8	112.7	H1042 T1060	H1042-R1063 PolarHBondContact CD2-O 3.47Å; T1060-R1063 WeakPolarHBondContact OG1-CA 3.25Å; T1060-R1063 PolarHBondContact OG1-N 3Å
1064	G	87.2	Confident	88.9	Confident	20 Å²	20	56.7 Å²	56.7	21%	0.206	30%	0.295	C	S	.	.			trans	70.6	-138.5	-171.6	0	0	0	0	0	111.5	M1040 T1060	M1040-G1064 CarbonylContact O-C 3.59Å; M1040-G1064 VanDerWaalsContact O-CA 3.25Å; M1040-G1064 WeakPolarHBondContact O-CA 3.41Å; T1060-G1064 WeakPolarHBondContact CB-O 3.3Å; T1060-G1064 PolarHBondContact N-O 2.77Å; T1060-G1064 PolarHBondContact OG1-N 3.26Å; T1060-G1064 PolarHBondContact OG1-O 3.11Å
1065	I	90.4	Very high	88.9	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121	-174	-58.7	174.3	0	0	0	110	V1033 L1039 M1040 H1041 H1042 G1057 I1059 V1087	V1033-I1065 HydrophobicContact CB-CD1 4.09Å; V1033-I1065 HydrophobicContact CG1-CD1 3.94Å; V1033-I1065 HydrophobicContact CG2-CD1 3.78Å; V1033-I1065 HydrophobicContact CG2-CG2 4.48Å; L1039-I1065 HydrophobicContact CB-CD1 4.26Å; L1039-I1065 HydrophobicContact CD1-CD1 4.11Å; M1040-I1065 PolarHBondContact O-N 3.07Å; H1041-I1065 CarbonylContact C-O 3.58Å; H1041-I1065 WeakPolarHBondContact CA-O 3.46Å; H1041-I1065 HydrophobicContact CB-CB 4.23Å; H1042-I1065 PolarHBondContact N-O 3.34Å; G1057-I1065 VanDerWaalsContact CA-CG2 3.47Å; I1059-I1065 HydrophobicContact CG1-CG1 4.33Å; I1065-V1087 HydrophobicContact CD1-CG2 4.38Å; I1065-V1087 HydrophobicContact CG2-CG2 4.17Å
1066	S	92	Very high	88.8	Confident	12 Å²	12	51.6 Å²	51.6	8%	0.084	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.8	169.8	-173	0	0	0	0	109.2	H1042 G1057 F1058 H1068	H1042-S1066 VanDerWaalsContact CE1-CB 3.41Å; H1042-S1066 WeakPolarHBondContact CE1-CB 3.25Å; H1042-S1066 PolarHBondContact CE1-OG 2.91Å; G1057-S1066 CarbonylContact C-O 3.58Å; G1057-S1066 WeakPolarHBondContact CA-O 3.47Å; F1058-S1066 PolarHBondContact N-O 3.47Å; F1058-S1066 PolarHBondContact O-N 2.87Å; S1066-H1068 PolarHBondContact O-CD2 3.26Å; S1066-H1068 PolarHBondContact OG-CD2 3.16Å; S1066-H1068 PolarHBondContact OG-NE2 3.36Å
1067	V	90.6	Very high	88.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.3	-178.1	-176.5	0	0	0	0	109.2	V1031 H1041 H1042 I1043 A1044 P1049 I1055	V1031-V1067 HydrophobicContact CG1-CG2 4.2Å; V1031-V1067 HydrophobicContact CG2-CG2 4.31Å; H1041-V1067 HydrophobicContact CB-CG2 4.06Å; H1042-V1067 PolarHBondContact O-N 2.81Å; I1043-V1067 HydrophobicContact CD1-CB 4.11Å; I1043-V1067 HydrophobicContact CD1-CG1 4.2Å; A1044-V1067 VanDerWaalsContact CB-O 3.25Å; A1044-V1067 WeakPolarHBondContact CB-O 3.38Å; A1044-V1067 PolarHBondContact N-O 3.21Å; P1049-V1067 HydrophobicContact CG-CG1 4.22Å; P1049-V1067 WeakPolarHBondContact CG-O 3.35Å; I1055-V1067 HydrophobicContact CB-CG1 3.79Å; I1055-V1067 HydrophobicContact CD1-CG1 3.79Å; I1055-V1067 HydrophobicContact CG1-CG1 4.38Å; I1055-V1067 HydrophobicContact CG2-CG1 3.89Å
1068	H	92.5	Very high	88.5	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	158.3	177.3	-71.5	-105.5	0	0	0	110.7	A1044 C1046 C1047 I1055 V1056 S1066 C1072 L1075	A1044-H1068 VanDerWaalsContact CB-CE1 3.44Å; A1044-H1068 WeakPolarHBondContact CB-CE1 3.11Å; A1044-H1068 WeakPolarHBondContact CB-NE2 3.49Å; C1046-H1068 PolarHBondContact SG-CE1 3.03Å; C1046-H1068 PolarHBondContact SG-ND1 3.18Å; C1047-H1068 VanDerWaalsContact SG-CA 3.52Å; I1055-H1068 CarbonylContact C-O 3.57Å; I1055-H1068 WeakPolarHBondContact CA-O 3.31Å; I1055-H1068 WeakPolarHBondContact CB-O 3.41Å; V1056-H1068 PolarHBondContact N-O 3.19Å; V1056-H1068 PolarHBondContact O-N 3.41Å; S1066-H1068 PolarHBondContact O-CD2 3.26Å; S1066-H1068 PolarHBondContact OG-CD2 3.16Å; S1066-H1068 PolarHBondContact OG-NE2 3.36Å; H1068-C1072 HydrophobicContact CB-CB 4.26Å; H1068-C1072 PolarHBondContact ND1-SG 2.93Å; H1068-L1075 HydrophobicContact CB-CB 3.9Å; H1068-L1075 HydrophobicContact CB-CD1 4.03Å; H1068-L1075 HydrophobicContact CB-CD2 3.96Å; H1068-L1075 HydrophobicContact CB-CG 4.17Å
1069	R	89.7	Confident	88.3	Confident	43 Å²	43	65 Å²	65	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	142.5	164	-157	169.9	74.4	-167.6	5.1	108.3	C1047 P1049 D1053 E1054 D1071 C1072 L1075 H1176	C1047-R1069 HydrophobicContact CB-CB 3.87Å; C1047-R1069 PolarHBondContact SG-N 3.35Å; P1049-R1069 HydrophobicContact CB-CB 4.34Å; D1053-R1069 HydrophobicContact CB-CG 3.99Å; E1054-R1069 CarbonylContact O-C 3.55Å; E1054-R1069 WeakPolarHBondContact O-CA 3.48Å; E1054-R1069 WeakPolarHBondContact O-CG 3.35Å; R1069-D1071 WeakPolarHBondContact CB-OD1 3.42Å; R1069-D1071 WeakPolarHBondContact CD-OD1 3.39Å; R1069-D1071 WeakPolarHBondContact CG-OD1 3.47Å; R1069-D1071 IonicContact CZ-OD1 2.88Å; R1069-D1071 IonicContact CZ-OD2 3.74Å; R1069-D1071 IonicContact NE-OD1 3.7Å; R1069-D1071 PolarHBondContact NE-OD1 3.45Å; R1069-D1071 IonicContact NE-OD2 3.81Å; R1069-D1071 PolarHBondContact NE-OD2 2.84Å; R1069-D1071 IonicContact NH2-OD1 3.25Å; R1069-D1071 PolarHBondContact NH2-OD1 3.32Å; R1069-D1071 IonicContact NH2-OD2 2.65Å; R1069-D1071 PolarHBondContact NH2-OD2 3.23Å; R1069-D1071 PolarHBondContact O-N 3.1Å; R1069-D1071 VanDerWaalsContact O-N 3.09Å; R1069-C1072 WeakPolarHBondContact O-CB 3.31Å; R1069-C1072 PolarHBondContact O-N 3.01Å; R1069-L1075 WeakPolarHBondContact O-CD2 3.39Å; R1069-H1176 PolarHBondContact NH1-CE1 2.99Å; R1069-H1176 PolarHBondContact NH1-NE2 3.2Å; R1069-H1176 PolarHBondContact NH2-CE1 3.31Å
1070	A	89.5	Confident	88.1	Confident	36 Å²	36	66.5 Å²	66.5	30%	0.298	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.2	-172	0	0	0	0	0	114.2	E1054 V1056	E1054-A1070 HydrophobicContact CB-CB 3.86Å; E1054-A1070 PolarHBondContact O-N 2.99Å; V1056-A1070 HydrophobicContact CG2-CB 3.91Å
1071	D	88.5	Confident	88	Confident	103 Å²	103	72.5 Å²	72.5	55%	0.551	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	17.8	179.6	67	-23.5	0	0	0	113.7	R1069	R1069-D1071 WeakPolarHBondContact CB-OD1 3.42Å; R1069-D1071 WeakPolarHBondContact CD-OD1 3.39Å; R1069-D1071 WeakPolarHBondContact CG-OD1 3.47Å; R1069-D1071 IonicContact CZ-OD1 2.88Å; R1069-D1071 IonicContact CZ-OD2 3.74Å; R1069-D1071 IonicContact NE-OD1 3.7Å; R1069-D1071 PolarHBondContact NE-OD1 3.45Å; R1069-D1071 IonicContact NE-OD2 3.81Å; R1069-D1071 PolarHBondContact NE-OD2 2.84Å; R1069-D1071 IonicContact NH2-OD1 3.25Å; R1069-D1071 PolarHBondContact NH2-OD1 3.32Å; R1069-D1071 IonicContact NH2-OD2 2.65Å; R1069-D1071 PolarHBondContact NH2-OD2 3.23Å; R1069-D1071 PolarHBondContact O-N 3.1Å; R1069-D1071 VanDerWaalsContact O-N 3.09Å
1072	C	87	Confident	88.3	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.061	35%	0.346	C	S	.	.			trans	-72.6	131.6	-179.8	172.1	0	0	0	0	112.5	C1046 C1047 H1068 R1069 Q1074 L1075 A1076	C1046-C1072 PolarHBondContact SG-SG 3.36Å; C1047-C1072 HydrophobicContact CB-CB 3.88Å; H1068-C1072 HydrophobicContact CB-CB 4.26Å; H1068-C1072 PolarHBondContact ND1-SG 2.93Å; R1069-C1072 WeakPolarHBondContact O-CB 3.31Å; R1069-C1072 PolarHBondContact O-N 3.01Å; C1072-Q1074 PolarHBondContact O-N 3.26Å; C1072-Q1074 PolarHBondContact SG-OE1 2.73Å; C1072-Q1074 VanDerWaalsContact SG-OE1 3.35Å; C1072-L1075 HydrophobicContact CB-CB 3.78Å; C1072-L1075 WeakPolarHBondContact O-CB 3.41Å; C1072-L1075 PolarHBondContact O-N 2.61Å; C1072-L1075 VanDerWaalsContact O-N 3.1Å; C1072-A1076 PolarHBondContact O-N 3.25Å
1073	E	88.2	Confident	88.8	Confident	157 Å²	157	65 Å²	65	73%	0.734	34%	0.338	S	S	*	.	H	α-helix	trans	-59.5	-46	178.5	-68.3	176.6	-177.9	0	0	112.6	L1075 A1076 E1077	E1073-L1075 VanDerWaalsContact C-N 3.27Å; E1073-L1075 PolarHBondContact O-N 2.88Å; E1073-A1076 WeakPolarHBondContact O-CA 3.41Å; E1073-A1076 WeakPolarHBondContact O-CB 3.4Å; E1073-A1076 PolarHBondContact O-N 3.25Å; E1073-E1077 PolarHBondContact O-N 2.82Å
1074	Q	87.9	Confident	89.3	Confident	49 Å²	49	62.9 Å²	62.9	23%	0.229	34%	0.336	C	S	.	.	H	α-helix	trans	-66.3	-30.1	176.4	-64.6	83.1	-2.1	0	0	111.9	C1046 C1072 A1076 E1077 L1078 S1178	C1046-Q1074 HydrophobicContact CB-CG 4.26Å; C1072-Q1074 PolarHBondContact O-N 3.26Å; C1072-Q1074 PolarHBondContact SG-OE1 2.73Å; C1072-Q1074 VanDerWaalsContact SG-OE1 3.35Å; Q1074-A1076 VanDerWaalsContact C-N 3.34Å; Q1074-E1077 PolarHBondContact O-N 3.44Å; Q1074-L1078 WeakPolarHBondContact O-CB 3.27Å; Q1074-L1078 WeakPolarHBondContact O-CG 3.48Å; Q1074-L1078 PolarHBondContact O-N 2.65Å; Q1074-S1178 PolarHBondContact NE2-OXT 2.97Å
1075	L	90.2	Very high	89.5	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-38.2	171.7	178.6	69.8	0	0	0	110.8	V1056 F1058 H1068 R1069 C1072 E1073 L1078 R1079 I1086	V1056-L1075 HydrophobicContact CB-CD1 4.49Å; V1056-L1075 HydrophobicContact CB-CD2 3.65Å; V1056-L1075 HydrophobicContact CG1-CD1 4.1Å; V1056-L1075 HydrophobicContact CG1-CD2 3.96Å; V1056-L1075 HydrophobicContact CG2-CD2 4.13Å; F1058-L1075 HydrophobicContact CB-CD1 4.49Å; H1068-L1075 HydrophobicContact CB-CB 3.9Å; H1068-L1075 HydrophobicContact CB-CD1 4.03Å; H1068-L1075 HydrophobicContact CB-CD2 3.96Å; H1068-L1075 HydrophobicContact CB-CG 4.17Å; R1069-L1075 WeakPolarHBondContact O-CD2 3.39Å; C1072-L1075 HydrophobicContact CB-CB 3.78Å; C1072-L1075 WeakPolarHBondContact O-CB 3.41Å; C1072-L1075 PolarHBondContact O-N 2.61Å; C1072-L1075 VanDerWaalsContact O-N 3.1Å; E1073-L1075 VanDerWaalsContact C-N 3.27Å; E1073-L1075 PolarHBondContact O-N 2.88Å; L1075-L1078 PolarHBondContact O-N 3.44Å; L1075-R1079 WeakPolarHBondContact O-CB 3.04Å; L1075-R1079 PolarHBondContact O-N 3.24Å; L1075-I1086 HydrophobicContact CD1-CD1 4.26Å
1076	A	88.6	Confident	89.6	Confident	61 Å²	61	65.1 Å²	65.1	50%	0.504	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-39.8	175.2	0	0	0	0	0	111.8	C1072 E1073 Q1074 R1079 S1080	C1072-A1076 PolarHBondContact O-N 3.25Å; E1073-A1076 WeakPolarHBondContact O-CA 3.41Å; E1073-A1076 WeakPolarHBondContact O-CB 3.4Å; E1073-A1076 PolarHBondContact O-N 3.25Å; Q1074-A1076 VanDerWaalsContact C-N 3.34Å; A1076-R1079 PolarHBondContact O-N 3.18Å; A1076-S1080 PolarHBondContact O-N 3.29Å; A1076-S1080 VanDerWaalsContact O-N 3.08Å
1077	E	88.8	Confident	89.6	Confident	127 Å²	127	65.3 Å²	65.3	59%	0.593	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-43.3	172.1	-70.5	-176.7	174.9	0	0	112.2	E1073 Q1074 R1079 S1080 H1081	E1073-E1077 PolarHBondContact O-N 2.82Å; Q1074-E1077 PolarHBondContact O-N 3.44Å; E1077-R1079 VanDerWaalsContact C-N 3.34Å; E1077-S1080 WeakPolarHBondContact O-CB 3.35Å; E1077-S1080 PolarHBondContact O-N 3.37Å; E1077-H1081 PolarHBondContact O-N 2.85Å; E1077-H1081 VanDerWaalsContact O-N 3.15Å; E1077-H1081 PolarHBondContact O-ND1 3.43Å
1078	L	89.8	Confident	89.6	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-36.8	176.7	-70.1	172.2	0	0	0	112.1	F1058 Q1074 L1075 S1080 H1081 A1082	F1058-L1078 HydrophobicContact CB-CD1 4.32Å; F1058-L1078 HydrophobicContact CD1-CD1 3.86Å; F1058-L1078 HydrophobicContact CD1-CD2 4.41Å; F1058-L1078 HydrophobicContact CD2-CB 3.79Å; F1058-L1078 HydrophobicContact CD2-CD1 4.11Å; F1058-L1078 HydrophobicContact CD2-CG 4.39Å; F1058-L1078 HydrophobicContact CE1-CD1 4.17Å; F1058-L1078 HydrophobicContact CE1-CD2 3.86Å; F1058-L1078 HydrophobicContact CE1-CG 4.48Å; F1058-L1078 HydrophobicContact CE2-CB 3.69Å; F1058-L1078 HydrophobicContact CE2-CD1 4.41Å; F1058-L1078 HydrophobicContact CE2-CD2 4.1Å; F1058-L1078 HydrophobicContact CE2-CG 4.27Å; F1058-L1078 HydrophobicContact CG-CB 4.38Å; F1058-L1078 HydrophobicContact CG-CD1 3.83Å; F1058-L1078 HydrophobicContact CZ-CB 4.2Å; F1058-L1078 HydrophobicContact CZ-CD1 4.44Å; F1058-L1078 HydrophobicContact CZ-CD2 3.69Å; F1058-L1078 HydrophobicContact CZ-CG 4.32Å; Q1074-L1078 WeakPolarHBondContact O-CB 3.27Å; Q1074-L1078 WeakPolarHBondContact O-CG 3.48Å; Q1074-L1078 PolarHBondContact O-N 2.65Å; L1075-L1078 PolarHBondContact O-N 3.44Å; L1078-S1080 VanDerWaalsContact C-N 3.26Å; L1078-S1080 PolarHBondContact O-N 2.92Å; L1078-H1081 PolarHBondContact O-N 2.96Å; L1078-A1082 PolarHBondContact O-N 3.17Å
1079	R	89.8	Confident	89.4	Confident	131 Å²	131	70.2 Å²	70.2	49%	0.494	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-32.4	174.2	-169.8	166.2	-114	-178.9	-2.9	112.3	L1075 A1076 E1077 I1086	L1075-R1079 WeakPolarHBondContact O-CB 3.04Å; L1075-R1079 PolarHBondContact O-N 3.24Å; A1076-R1079 PolarHBondContact O-N 3.18Å; E1077-R1079 VanDerWaalsContact C-N 3.34Å; R1079-I1086 HydrophobicContact CB-CD1 3.23Å; R1079-I1086 HydrophobicContact CG-CD1 3.49Å; R1079-I1086 VanDerWaalsContact CG-CD1 3.49Å
1080	S	87.2	Confident	89.4	Confident	100 Å²	100	72.5 Å²	72.5	70%	0.699	39%	0.386	S	S	*	.	H	α-helix	trans	-72.9	-38.6	174.7	-172.7	0	0	0	0	112.7	A1076 E1077 L1078	A1076-S1080 PolarHBondContact O-N 3.29Å; A1076-S1080 VanDerWaalsContact O-N 3.08Å; E1077-S1080 WeakPolarHBondContact O-CB 3.35Å; E1077-S1080 PolarHBondContact O-N 3.37Å; L1078-S1080 VanDerWaalsContact C-N 3.26Å; L1078-S1080 PolarHBondContact O-N 2.92Å
1081	H	88.1	Confident	89.3	Confident	160 Å²	160	73.1 Å²	73.1	74%	0.741	38%	0.38	S	S	*	.	H	α-helix	trans	-84.8	-38.9	-174.7	-75	82.5	0	0	0	114.7	E1077 L1078	E1077-H1081 PolarHBondContact O-N 2.85Å; E1077-H1081 VanDerWaalsContact O-N 3.15Å; E1077-H1081 PolarHBondContact O-ND1 3.43Å; L1078-H1081 PolarHBondContact O-N 2.96Å
1082	A	89.1	Confident	88.8	Confident	14 Å²	14	68.7 Å²	68.7	12%	0.116	36%	0.359	C	S	.	.			trans	-149	70.9	-173.7	0	0	0	0	0	110.8	F1058 L1078 E1084 R1085	F1058-A1082 HydrophobicContact CE2-CB 4.4Å; F1058-A1082 HydrophobicContact CZ-CB 4.46Å; L1078-A1082 PolarHBondContact O-N 3.17Å; A1082-E1084 VanDerWaalsContact C-OE2 3.25Å; A1082-E1084 WeakPolarHBondContact CA-OE2 3.43Å; A1082-E1084 PolarHBondContact O-N 3.19Å; A1082-R1085 HydrophobicContact CB-CB 4.38Å; A1082-R1085 HydrophobicContact CB-CG 3.99Å; A1082-R1085 WeakPolarHBondContact O-CB 3.38Å; A1082-R1085 PolarHBondContact O-N 2.79Å; A1082-R1085 VanDerWaalsContact O-N 3.09Å
1083	P	90.4	Very high	88.1	Confident	80 Å²	80	77.2 Å²	77.2	52%	0.519	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.6	-176.7	25.2	-34.4	0	0	0	112.9	R1085 I1086	P1083-R1085 PolarHBondContact O-N 3.43Å; P1083-R1085 VanDerWaalsContact O-N 3.16Å; P1083-I1086 PolarHBondContact O-N 3.17Å; P1083-I1086 VanDerWaalsContact O-N 3.13Å
1084	E	89.7	Confident	86.8	Confident	141 Å²	141	72.7 Å²	72.7	66%	0.659	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.2	-13.1	177.6	74.5	-72.7	173	0	0	114	A1082	A1082-E1084 VanDerWaalsContact C-OE2 3.25Å; A1082-E1084 WeakPolarHBondContact CA-OE2 3.43Å; A1082-E1084 PolarHBondContact O-N 3.19Å
1085	R	92.4	Very high	85.6	Confident	56 Å²	56	75.8 Å²	75.8	21%	0.211	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-96.9	-3.1	178.4	-57.5	-176.7	69	168	12.5	112.5	F1058 I1059 T1060 A1082 P1083	F1058-R1085 CarbonylContact C-O 3.56Å; F1058-R1085 WeakPolarHBondContact CA-O 3.46Å; F1058-R1085 HydrophobicContact CD2-CB 4.05Å; F1058-R1085 HydrophobicContact CE2-CB 3.59Å; F1058-R1085 HydrophobicContact CZ-CB 3.94Å; I1059-R1085 HydrophobicContact CB-CB 4.33Å; I1059-R1085 PolarHBondContact N-O 2.94Å; I1059-R1085 PolarHBondContact O-NE 3.4Å; I1059-R1085 PolarHBondContact O-NH2 3.14Å; T1060-R1085 VanDerWaalsContact CA-NH2 3.33Å; T1060-R1085 PolarHBondContact O-NH2 3.05Å; A1082-R1085 HydrophobicContact CB-CB 4.38Å; A1082-R1085 HydrophobicContact CB-CG 3.99Å; A1082-R1085 WeakPolarHBondContact O-CB 3.38Å; A1082-R1085 PolarHBondContact O-N 2.79Å; A1082-R1085 VanDerWaalsContact O-N 3.09Å; P1083-R1085 PolarHBondContact O-N 3.43Å; P1083-R1085 VanDerWaalsContact O-N 3.16Å
1086	I	92.7	Very high	84.2	Confident	25 Å²	25	81 Å²	81	13%	0.128	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.5	175.3	-71.7	-178.3	0	0	0	109.5	V1056 G1057 F1058 L1075 R1079 P1083	V1056-I1086 HydrophobicContact CG1-CG2 3.49Å; V1056-I1086 VanDerWaalsContact CG1-CG2 3.49Å; G1057-I1086 WeakPolarHBondContact O-CA 3.23Å; F1058-I1086 HydrophobicContact CD2-CG1 3.85Å; L1075-I1086 HydrophobicContact CD1-CD1 4.26Å; R1079-I1086 HydrophobicContact CB-CD1 3.23Å; R1079-I1086 HydrophobicContact CG-CD1 3.49Å; R1079-I1086 VanDerWaalsContact CG-CD1 3.49Å; P1083-I1086 PolarHBondContact O-N 3.17Å; P1083-I1086 VanDerWaalsContact O-N 3.13Å
1087	V	91	Very high	83	Confident	15 Å²	15	79.1 Å²	79.1	9%	0.091	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.9	-178.1	-70.6	0	0	0	0	110.1	V1033 G1057 I1059 I1065	V1033-V1087 HydrophobicContact CG1-CB 3.67Å; V1033-V1087 HydrophobicContact CG1-CG2 3.43Å; V1033-V1087 VanDerWaalsContact CG1-CG2 3.43Å; G1057-V1087 PolarHBondContact N-O 3.06Å; G1057-V1087 WeakPolarHBondContact O-CG2 3.28Å; G1057-V1087 PolarHBondContact O-N 3.31Å; I1059-V1087 HydrophobicContact CD1-CG1 3.73Å; I1059-V1087 HydrophobicContact CG1-CG1 4.08Å; I1059-V1087 HydrophobicContact CG1-CG2 4.17Å; I1065-V1087 HydrophobicContact CD1-CG2 4.38Å; I1065-V1087 HydrophobicContact CG2-CG2 4.17Å
1088	D	90.7	Very high	82.1	Confident	106 Å²	106	73.2 Å²	73.2	57%	0.567	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.9	176.7	-72.1	-24.4	0	0	0	110.4	V1033 E1034	V1033-D1088 WeakPolarHBondContact CA-O 3.18Å; V1033-D1088 WeakPolarHBondContact CG1-O 3.34Å; E1034-D1088 PolarHBondContact N-O 3.42Å
1089	A	88.6	Confident	81.6	Confident	9 Å²	9	71.6 Å²	71.6	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.5	-177	0	0	0	0	0	110.7	V1031 V1032 V1033 I1055	V1031-A1089 HydrophobicContact CG1-CB 3.95Å; V1032-A1089 WeakPolarHBondContact O-CA 3.44Å; V1033-A1089 HydrophobicContact CG2-CB 4.12Å; I1055-A1089 HydrophobicContact CD1-CB 4.02Å; I1055-A1089 HydrophobicContact CG1-CB 4.17Å; I1055-A1089 VanDerWaalsContact O-O 3.12Å
1090	V	89	Confident	81.3	Confident	91 Å²	91	68.1 Å²	68.1	55%	0.552	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.6	173.7	-60.7	0	0	0	0	110.2	V1032 G1092	V1032-V1090 HydrophobicContact CB-CG2 3.87Å; V1032-V1090 HydrophobicContact CG1-CG2 4.35Å; V1032-V1090 PolarHBondContact N-O 3.22Å; V1032-V1090 PolarHBondContact O-N 2.95Å; V1090-G1092 PolarHBondContact O-N 3.36Å
1091	W	87.1	Confident	81.2	Confident	49 Å²	49	63.4 Å²	63.4	19%	0.186	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.7	172.6	-65.9	100.9	0	0	0	109.6	V1031 I1043 P1049 I1050 P1051 D1053 I1055 Y1099	V1031-W1091 HydrophobicContact CG2-CE3 4.33Å; V1031-W1091 HydrophobicContact CG2-CZ3 4.29Å; I1043-W1091 HydrophobicContact CD1-CH2 3.9Å; I1043-W1091 HydrophobicContact CD1-CZ3 4.34Å; P1049-W1091 HydrophobicContact CB-CZ2 4.12Å; P1049-W1091 WeakPolarHBondContact O-CH2 3.42Å; I1050-W1091 WeakPolarHBondContact O-CZ2 3.29Å; P1051-W1091 HydrophobicContact CB-CD2 4.36Å; P1051-W1091 HydrophobicContact CG-CD2 4.3Å; P1051-W1091 HydrophobicContact CG-CE3 4Å; P1051-W1091 HydrophobicContact CG-CH2 4.46Å; P1051-W1091 HydrophobicContact CG-CZ3 4.1Å; D1053-W1091 PolarHBondContact O-NE1 2.81Å; I1055-W1091 HydrophobicContact CD1-CD2 4.04Å; I1055-W1091 HydrophobicContact CD1-CG 4.23Å; I1055-W1091 HydrophobicContact CD1-CZ2 4.34Å; I1055-W1091 HydrophobicContact CG2-CZ2 3.73Å; W1091-Y1099 HydrophobicContact CH2-CE1 4.03Å; W1091-Y1099 AromaticContact CZ3-CE1 3.74Å; W1091-Y1099 HydrophobicContact CZ3-CE1 3.74Å; W1091-Y1099 AromaticContact CZ3-CZ 3.64Å; W1091-Y1099 WeakPolarHBondContact CZ3-OH 3.24Å
1092	G	79	Confident	81.3	Confident	9 Å²	9	57 Å²	57	9%	0.093	31%	0.313	C	S	.	.			trans	-80.4	177.7	175.5	0	0	0	0	0	112.6	G1029 R1030 V1090 S1094 Y1095	G1029-G1092 WeakPolarHBondContact O-CA 3.39Å; R1030-G1092 PolarHBondContact O-N 2.72Å; V1090-G1092 PolarHBondContact O-N 3.36Å; G1092-S1094 PolarHBondContact O-N 3.48Å; G1092-Y1095 WeakPolarHBondContact O-CD1 3.43Å
1093	E	71.5	Confident	81.4	Confident	189 Å²	189	56.4 Å²	56.4	88%	0.883	31%	0.308	S	S	*	.	S	Bend	trans	-72.4	-11.9	-173.8	-59.7	179.4	-179.8	0	0	114
1094	S	61.4	Low	81.5	Confident	61 Å²	61	56.1 Å²	56.1	43%	0.427	30%	0.297	S	S	.	.			trans	-104.7	52.3	-169.5	-52.9	0	0	0	0	113.9	G1092 S1096	G1092-S1094 PolarHBondContact O-N 3.48Å; S1094-S1096 PolarHBondContact O-N 2.74Å
1095	Y	63.3	Low	81.6	Confident	115 Å²	115	49.4 Å²	49.4	45%	0.451	27%	0.265	S	S	.	.			trans	-92	22	-178.4	53.8	-98	0	0	0	115.2	P1051 G1092 A1097	P1051-Y1095 HydrophobicContact CB-CG 4.35Å; P1051-Y1095 HydrophobicContact CG-CG 4.25Å; G1092-Y1095 WeakPolarHBondContact O-CD1 3.43Å; Y1095-A1097 PolarHBondContact O-N 3.26Å
1096	S	59.4	Low	81.6	Confident	112 Å²	112	48.1 Å²	48.1	78%	0.783	26%	0.264	S	S	*	.			trans	-68.9	1.7	-176.3	38.1	0	0	0	0	115.8	S1094	S1094-S1096 PolarHBondContact O-N 2.74Å
1097	A	63.6	Low	81.6	Confident	21 Å²	21	46.9 Å²	46.9	17%	0.174	26%	0.257	C	S	.	.	S	Bend	trans	-99.9	136.2	174.2	0	0	0	0	0	110.9	Y1095 Y1099	Y1095-A1097 PolarHBondContact O-N 3.26Å; A1097-Y1099 WeakPolarHBondContact O-CD2 3.42Å; A1097-Y1099 VanDerWaalsContact O-CE2 3.29Å; A1097-Y1099 WeakPolarHBondContact O-CE2 3.5Å
1098	G	70.4	Confident	81.5	Confident	3 Å²	3	49.9 Å²	49.9	3%	0.031	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.7	143.2	176.9	0	0	0	0	0	113	R1024	R1024-G1098 VanDerWaalsContact CZ-O 3.25Å; R1024-G1098 PolarHBondContact NH1-O 3.34Å; R1024-G1098 PolarHBondContact NH2-O 3.03Å
1099	Y	78.5	Confident	81.1	Confident	16 Å²	16	48.6 Å²	48.6	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.4	175.7	-65.4	-94.8	0	0	0	109.6	R1030 I1043 I1050 P1051 W1091 A1097 E1149 I1150	R1030-Y1099 WeakPolarHBondContact CD-OH 3.42Å; I1043-Y1099 HydrophobicContact CD1-CE1 4.44Å; I1043-Y1099 HydrophobicContact CG1-CD1 4.45Å; I1043-Y1099 HydrophobicContact CG1-CE1 4.39Å; I1050-Y1099 HydrophobicContact CG2-CG 4.19Å; P1051-Y1099 VanDerWaalsContact CD-CD2 3.44Å; P1051-Y1099 HydrophobicContact CG-CD2 3.98Å; P1051-Y1099 HydrophobicContact CG-CE2 3.35Å; W1091-Y1099 HydrophobicContact CH2-CE1 4.03Å; W1091-Y1099 AromaticContact CZ3-CE1 3.74Å; W1091-Y1099 HydrophobicContact CZ3-CE1 3.74Å; W1091-Y1099 AromaticContact CZ3-CZ 3.64Å; W1091-Y1099 WeakPolarHBondContact CZ3-OH 3.24Å; A1097-Y1099 WeakPolarHBondContact O-CD2 3.42Å; A1097-Y1099 VanDerWaalsContact O-CE2 3.29Å; A1097-Y1099 WeakPolarHBondContact O-CE2 3.5Å; Y1099-E1149 CarbonylContact O-C 3.58Å; Y1099-E1149 WeakPolarHBondContact O-CA 3.37Å; Y1099-I1150 PolarHBondContact N-O 3.02Å; Y1099-I1150 PolarHBondContact O-N 3.36Å
1100	S	83.7	Confident	80.8	Confident	59 Å²	59	52.6 Å²	52.6	41%	0.413	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.2	177.6	-178.6	0	0	0	0	110.6	L1129 T1147 I1148	S1100-L1129 WeakPolarHBondContact OG-CD1 3.16Å; S1100-T1147 WeakPolarHBondContact OG-CG2 3.47Å; S1100-I1148 WeakPolarHBondContact CA-O 3.31Å
1101	L	86.6	Confident	80.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.1	172.8	68	86.6	0	0	0	111.1	I1050 V1103 T1147 I1148 I1150 L1156 R1174	I1050-L1101 HydrophobicContact CD1-CD2 4.03Å; I1050-L1101 HydrophobicContact CG2-CD2 4.07Å; L1101-V1103 HydrophobicContact CD1-CG2 3.5Å; L1101-V1103 VanDerWaalsContact CD1-CG2 3.5Å; L1101-T1147 WeakPolarHBondContact O-CA 3.48Å; L1101-I1148 HydrophobicContact CD1-CD1 4Å; L1101-I1148 HydrophobicContact CD1-CG1 3.78Å; L1101-I1148 HydrophobicContact CG-CG1 4.12Å; L1101-I1148 PolarHBondContact N-O 3.22Å; L1101-I1148 PolarHBondContact O-N 2.8Å; L1101-I1150 HydrophobicContact CD2-CB 4.36Å; L1101-I1150 HydrophobicContact CD2-CG2 3.45Å; L1101-I1150 VanDerWaalsContact CD2-CG2 3.45Å; L1101-I1150 HydrophobicContact CG-CG2 4.37Å; L1101-L1156 HydrophobicContact CD1-CD1 3.94Å; L1101-L1156 HydrophobicContact CD2-CD1 4.11Å; L1101-L1156 HydrophobicContact CD2-CD2 3.84Å; L1101-L1156 HydrophobicContact CD2-CG 4.5Å; L1101-R1174 HydrophobicContact CD1-CG 4.45Å
1102	V	89.5	Confident	79.7	Confident	27 Å²	27	49.9 Å²	49.9	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.3	176.5	-176.9	0	0	0	0	110.4	D1145 M1146 T1147 L1175	V1102-D1145 HydrophobicContact CG1-CB 4.15Å; V1102-M1146 CarbonylContact C-O 3.55Å; V1102-M1146 WeakPolarHBondContact CA-O 3.42Å; V1102-T1147 HydrophobicContact CG2-CG2 4.48Å; V1102-L1175 HydrophobicContact CB-CB 4.21Å; V1102-L1175 HydrophobicContact CG1-CB 4.09Å; V1102-L1175 HydrophobicContact CG1-CD2 3.93Å; V1102-L1175 PolarHBondContact O-N 3.13Å
1103	V	90.9	Very high	79.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.5	169.7	177.1	0	0	0	0	108.6	L1101 V1105 M1146 I1148 L1156 L1160 L1163	L1101-V1103 HydrophobicContact CD1-CG2 3.5Å; L1101-V1103 VanDerWaalsContact CD1-CG2 3.5Å; V1103-V1105 HydrophobicContact CG1-CG2 4.11Å; V1103-M1146 PolarHBondContact N-O 3.39Å; V1103-M1146 PolarHBondContact O-N 2.79Å; V1103-I1148 HydrophobicContact CG2-CD1 3.52Å; V1103-I1148 HydrophobicContact CG2-CG1 4.07Å; V1103-L1156 HydrophobicContact CG2-CD1 4.12Å; V1103-L1160 HydrophobicContact CG1-CD2 3.52Å; V1103-L1160 HydrophobicContact CG2-CD2 4.15Å; V1103-L1163 HydrophobicContact CG1-CD1 4.17Å
1104	R	92.9	Very high	80.4	Confident	73 Å²	73	41.9 Å²	41.9	28%	0.275	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.9	171.4	175.6	164.7	-69.8	168.7	1.9	109.2	V1106 T1143 D1145 A1172 R1173 L1175	R1104-V1106 HydrophobicContact CG-CG2 4.2Å; R1104-T1143 HydrophobicContact CG-CG2 4.03Å; R1104-D1145 VanDerWaalsContact CB-OD1 3.24Å; R1104-D1145 WeakPolarHBondContact CB-OD1 3.35Å; R1104-D1145 VanDerWaalsContact CG-OD1 3.26Å; R1104-D1145 WeakPolarHBondContact CG-OD1 3.23Å; R1104-D1145 IonicContact CZ-OD1 2.79Å; R1104-D1145 IonicContact CZ-OD2 3.53Å; R1104-D1145 IonicContact NE-OD1 3.04Å; R1104-D1145 PolarHBondContact NE-OD1 2.86Å; R1104-D1145 IonicContact NE-OD2 2.73Å; R1104-D1145 IonicContact NH2-OD1 2.63Å; R1104-D1145 PolarHBondContact NH2-OD1 3.29Å; R1104-D1145 IonicContact NH2-OD2 3.46Å; R1104-D1145 PolarHBondContact NH2-OD2 3.49Å; R1104-A1172 WeakPolarHBondContact O-CA 3.22Å; R1104-R1173 PolarHBondContact N-O 3.33Å; R1104-R1173 PolarHBondContact O-N 3Å; R1104-L1175 HydrophobicContact CB-CB 4.43Å
1105	V	92.1	Very high	81.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	173.8	-178.8	0	0	0	0	108.4	V1103 I1117 T1143 I1144 M1146 L1163 V1169 D1171 A1172	V1103-V1105 HydrophobicContact CG1-CG2 4.11Å; V1105-I1117 HydrophobicContact CG1-CD1 4.07Å; V1105-T1143 WeakPolarHBondContact O-CA 3.45Å; V1105-I1144 PolarHBondContact N-O 3.49Å; V1105-I1144 PolarHBondContact O-N 3.02Å; V1105-M1146 HydrophobicContact CB-CE 4.37Å; V1105-M1146 HydrophobicContact CG2-CE 3.39Å; V1105-L1163 HydrophobicContact CG2-CD1 4.09Å; V1105-V1169 HydrophobicContact CG1-CB 4.41Å; V1105-V1169 HydrophobicContact CG1-CG1 3.77Å; V1105-V1169 HydrophobicContact CG1-CG2 3.78Å; V1105-D1171 CarbonylContact C-O 3.5Å; V1105-D1171 WeakPolarHBondContact CA-O 3.46Å; V1105-A1172 HydrophobicContact CG2-CB 3.96Å
1106	V	92.4	Very high	82.3	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.176	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.9	172.4	-176.5	0	0	0	0	107.5	R1104 A1142 T1143 I1170 D1171	R1104-V1106 HydrophobicContact CG-CG2 4.2Å; V1106-A1142 WeakPolarHBondContact CA-O 3.45Å; V1106-T1143 HydrophobicContact CG2-CG2 4.35Å; V1106-I1170 WeakPolarHBondContact O-CB 3.43Å; V1106-I1170 PolarHBondContact O-N 3.15Å; V1106-D1171 PolarHBondContact N-O 3.39Å; V1106-D1171 PolarHBondContact O-N 3.36Å; V1106-D1171 VanDerWaalsContact O-N 3.14Å
1107	A	91.2	Very high	83.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.6	-173.6	0	0	0	0	0	111.4	D1109 L1113 L1141 A1142 D1168 V1169	A1107-D1109 PolarHBondContact O-N 3.44Å; A1107-L1113 HydrophobicContact CB-CD1 4.13Å; A1107-L1113 HydrophobicContact CB-CD2 3.63Å; A1107-L1113 HydrophobicContact CB-CG 4.5Å; A1107-L1141 CarbonylContact O-C 3.6Å; A1107-L1141 WeakPolarHBondContact O-CA 3.4Å; A1107-A1142 PolarHBondContact N-O 3.37Å; A1107-A1142 PolarHBondContact O-N 3.15Å; A1107-D1168 CarbonylContact C-O 3.58Å; A1107-D1168 WeakPolarHBondContact CA-O 3.44Å; A1107-D1168 VanDerWaalsContact CB-O 3.25Å; A1107-D1168 WeakPolarHBondContact CB-O 3.45Å; A1107-V1169 HydrophobicContact CB-CG2 4.15Å
1108	N	89	Confident	84.5	Confident	78 Å²	78	36.4 Å²	36.4	42%	0.417	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	130	166.9	-69.2	-39.6	0	0	0	109.4	R1110 D1168	N1108-R1110 PolarHBondContact O-N 3.41Å; N1108-D1168 HydrophobicContact CB-CB 4.4Å; N1108-D1168 PolarHBondContact N-O 3.13Å
1109	D	83.9	Confident	85	Confident	79 Å²	79	39.3 Å²	39.3	42%	0.422	21%	0.206	S	C	.	.			trans	-71	115.1	-174.9	-165.8	13.1	0	0	0	110.8	A1107 S1135 Q1140 A1142	A1107-D1109 PolarHBondContact O-N 3.44Å; D1109-S1135 WeakPolarHBondContact OD2-CB 3.21Å; D1109-S1135 PolarHBondContact OD2-OG 3.47Å; D1109-Q1140 PolarHBondContact N-O 2.92Å; D1109-A1142 HydrophobicContact CB-CB 4.15Å
1110	R	81.8	Confident	85.4	Confident	93 Å²	93	40.1 Å²	40.1	35%	0.351	21%	0.211	S	C	.	.			trans	-143.3	154.9	173.3	71.2	156.9	170	98.6	1.8	113.2	N1108 G1112 L1113 D1116 D1168	N1108-R1110 PolarHBondContact O-N 3.41Å; R1110-G1112 PolarHBondContact O-N 3.07Å; R1110-L1113 HydrophobicContact CG-CB 4.14Å; R1110-L1113 VanDerWaalsContact O-CB 3.31Å; R1110-L1113 WeakPolarHBondContact O-CB 3.28Å; R1110-L1113 PolarHBondContact O-N 3.27Å; R1110-D1116 IonicContact CZ-OD2 2.73Å; R1110-D1116 VanDerWaalsContact CZ-OD2 3.27Å; R1110-D1116 IonicContact NH1-OD2 3.27Å; R1110-D1116 PolarHBondContact NH1-OD2 2.98Å; R1110-D1116 IonicContact NH2-OD2 3.16Å; R1110-D1116 PolarHBondContact NH2-OD2 3.23Å; R1110-D1168 IonicContact CZ-OD2 2.82Å; R1110-D1168 VanDerWaalsContact NE-CG 3.31Å; R1110-D1168 IonicContact NE-OD1 3.34Å; R1110-D1168 IonicContact NE-OD2 3.78Å; R1110-D1168 PolarHBondContact NE-OD2 2.88Å; R1110-D1168 IonicContact NH2-OD2 2.65Å; R1110-D1168 PolarHBondContact NH2-OD2 3.36Å
1111	S	76	Confident	85.6	Confident	72 Å²	72	37.4 Å²	37.4	50%	0.503	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	130.9	169.4	177.3	0	0	0	0	111.2	A1003	A1003-S1111 VanDerWaalsContact CB-OG 3.28Å; A1003-S1111 WeakPolarHBondContact CB-OG 3.4Å
1112	G	77	Confident	85.3	Confident	10 Å²	10	40.7 Å²	40.7	10%	0.103	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-3.5	-179.5	0	0	0	0	0	115.5	D1007 R1110 L1114 R1115 D1116	D1007-G1112 WeakPolarHBondContact OD1-CA 3.31Å; D1007-G1112 VanDerWaalsContact OD2-CA 3.31Å; D1007-G1112 WeakPolarHBondContact OD2-CA 3.22Å; D1007-G1112 PolarHBondContact OD2-N 3.17Å; R1110-G1112 PolarHBondContact O-N 3.07Å; G1112-L1114 VanDerWaalsContact C-N 3.3Å; G1112-L1114 PolarHBondContact O-N 3.37Å; G1112-R1115 WeakPolarHBondContact O-CB 3.48Å; G1112-R1115 PolarHBondContact O-N 3.39Å; G1112-D1116 PolarHBondContact O-N 2.83Å; G1112-D1116 VanDerWaalsContact O-N 3.08Å
1113	L	83.5	Confident	85	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-42.1	-179.9	176.8	67.8	0	0	0	111.9	A1107 R1110 D1116 I1117 A1142 I1144 D1168	A1107-L1113 HydrophobicContact CB-CD1 4.13Å; A1107-L1113 HydrophobicContact CB-CD2 3.63Å; A1107-L1113 HydrophobicContact CB-CG 4.5Å; R1110-L1113 HydrophobicContact CG-CB 4.14Å; R1110-L1113 VanDerWaalsContact O-CB 3.31Å; R1110-L1113 WeakPolarHBondContact O-CB 3.28Å; R1110-L1113 PolarHBondContact O-N 3.27Å; L1113-D1116 PolarHBondContact O-N 3.17Å; L1113-I1117 HydrophobicContact CD1-CD1 4.09Å; L1113-I1117 HydrophobicContact CD1-CG1 4.48Å; L1113-I1117 HydrophobicContact CG-CD1 3.97Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.47Å; L1113-I1117 PolarHBondContact O-N 3.34Å; L1113-A1142 HydrophobicContact CD2-CB 4.16Å; L1113-I1144 HydrophobicContact CD2-CD1 4.13Å; L1113-D1168 HydrophobicContact CD1-CB 4.34Å
1114	L	81.7	Confident	84.7	Confident	26 Å²	26	46.3 Å²	46.3	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-36.8	-178.4	-161.2	139.9	0	0	0	111.2	L1011 G1112 T1118	L1011-L1114 HydrophobicContact CD1-CD1 3.93Å; L1011-L1114 HydrophobicContact CD1-CD2 3.94Å; G1112-L1114 VanDerWaalsContact C-N 3.3Å; G1112-L1114 PolarHBondContact O-N 3.37Å; L1114-T1118 HydrophobicContact CD2-CG2 3.95Å; L1114-T1118 WeakPolarHBondContact O-CB 3.43Å; L1114-T1118 WeakPolarHBondContact O-CG2 3.48Å; L1114-T1118 PolarHBondContact O-N 3.04Å; L1114-T1118 PolarHBondContact O-OG1 3.15Å
1115	R	80.2	Confident	84.1	Confident	115 Å²	115	51.2 Å²	51.2	43%	0.434	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-46.4	169.6	-179.9	-172	171.6	-171.6	-6.6	112.4	D1007 G1112 T1118 T1119	D1007-R1115 WeakPolarHBondContact OD1-CB 3.28Å; D1007-R1115 PolarHBondContact OD1-N 3.14Å; G1112-R1115 WeakPolarHBondContact O-CB 3.48Å; G1112-R1115 PolarHBondContact O-N 3.39Å; R1115-T1118 WeakPolarHBondContact CA-OG1 3.24Å; R1115-T1118 PolarHBondContact O-N 3.47Å; R1115-T1118 PolarHBondContact O-OG1 2.93Å; R1115-T1118 VanDerWaalsContact O-OG1 3.08Å; R1115-T1119 VanDerWaalsContact O-CB 3.31Å; R1115-T1119 WeakPolarHBondContact O-CB 3.41Å; R1115-T1119 PolarHBondContact O-N 3.25Å; R1115-T1119 PolarHBondContact O-OG1 3.27Å
1116	D	84.8	Confident	83.7	Confident	55 Å²	55	51.7 Å²	51.7	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-46.8	-178.6	-71.4	-21.4	0	0	0	110.8	R1110 G1112 L1113 T1119 I1120	R1110-D1116 IonicContact CZ-OD2 2.73Å; R1110-D1116 VanDerWaalsContact CZ-OD2 3.27Å; R1110-D1116 IonicContact NH1-OD2 3.27Å; R1110-D1116 PolarHBondContact NH1-OD2 2.98Å; R1110-D1116 IonicContact NH2-OD2 3.16Å; R1110-D1116 PolarHBondContact NH2-OD2 3.23Å; G1112-D1116 PolarHBondContact O-N 2.83Å; G1112-D1116 VanDerWaalsContact O-N 3.08Å; L1113-D1116 PolarHBondContact O-N 3.17Å; D1116-T1119 PolarHBondContact O-N 2.93Å; D1116-I1120 WeakPolarHBondContact O-CG1 3.44Å; D1116-I1120 PolarHBondContact O-N 2.8Å
1117	I	87	Confident	83.2	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-48.2	177.3	-69.4	170.9	0	0	0	111.3	V1105 L1113 T1119 I1120 L1121 I1144 M1146 L1163	V1105-I1117 HydrophobicContact CG1-CD1 4.07Å; L1113-I1117 HydrophobicContact CD1-CD1 4.09Å; L1113-I1117 HydrophobicContact CD1-CG1 4.48Å; L1113-I1117 HydrophobicContact CG-CD1 3.97Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.47Å; L1113-I1117 PolarHBondContact O-N 3.34Å; I1117-T1119 VanDerWaalsContact C-N 3.34Å; I1117-T1119 PolarHBondContact O-N 2.85Å; I1117-I1120 PolarHBondContact O-N 3.25Å; I1117-L1121 HydrophobicContact CG2-CD1 4.09Å; I1117-L1121 WeakPolarHBondContact O-CG 3.34Å; I1117-L1121 PolarHBondContact O-N 3.17Å; I1117-L1121 VanDerWaalsContact O-N 3.14Å; I1117-I1144 HydrophobicContact CD1-CD1 3.67Å; I1117-M1146 HydrophobicContact CG2-CE 3.66Å; I1117-M1146 HydrophobicContact CG2-SD 3.45Å; I1117-M1146 WeakPolarHBondContact CG2-SD 3.32Å; I1117-L1163 HydrophobicContact CB-CD2 4.42Å; I1117-L1163 HydrophobicContact CG1-CD2 4.36Å; I1117-L1163 HydrophobicContact CG2-CD2 3.85Å
1118	T	81.2	Confident	82.8	Confident	22 Å²	22	55 Å²	55	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-32.6	-177.7	51.6	0	0	0	0	112.7	L1014 L1114 R1115 L1121 A1122	L1014-T1118 HydrophobicContact CD1-CG2 3.63Å; L1114-T1118 HydrophobicContact CD2-CG2 3.95Å; L1114-T1118 WeakPolarHBondContact O-CB 3.43Å; L1114-T1118 WeakPolarHBondContact O-CG2 3.48Å; L1114-T1118 PolarHBondContact O-N 3.04Å; L1114-T1118 PolarHBondContact O-OG1 3.15Å; R1115-T1118 WeakPolarHBondContact CA-OG1 3.24Å; R1115-T1118 PolarHBondContact O-N 3.47Å; R1115-T1118 PolarHBondContact O-OG1 2.93Å; R1115-T1118 VanDerWaalsContact O-OG1 3.08Å; T1118-L1121 PolarHBondContact O-N 3.05Å; T1118-A1122 WeakPolarHBondContact O-CB 3.28Å; T1118-A1122 PolarHBondContact O-N 2.92Å
1119	T	82	Confident	82.4	Confident	64 Å²	64	55.7 Å²	55.7	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-41.4	174.1	-58.1	0	0	0	0	111.2	R1115 D1116 I1117 A1122 N1123	R1115-T1119 VanDerWaalsContact O-CB 3.31Å; R1115-T1119 WeakPolarHBondContact O-CB 3.41Å; R1115-T1119 PolarHBondContact O-N 3.25Å; R1115-T1119 PolarHBondContact O-OG1 3.27Å; D1116-T1119 PolarHBondContact O-N 2.93Å; I1117-T1119 VanDerWaalsContact C-N 3.34Å; I1117-T1119 PolarHBondContact O-N 2.85Å; T1119-A1122 PolarHBondContact O-N 3.22Å; T1119-N1123 WeakPolarHBondContact O-CB 3.3Å; T1119-N1123 VanDerWaalsContact O-CG 3.32Å; T1119-N1123 PolarHBondContact O-N 3.4Å; T1119-N1123 PolarHBondContact O-ND2 2.93Å
1120	I	86.8	Confident	82.3	Confident	33 Å²	33	53.4 Å²	53.4	17%	0.169	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-45.7	176.5	-69.5	168.5	0	0	0	110.7	D1116 I1117 A1122 N1123 E1124 K1162 L1163 V1166	D1116-I1120 WeakPolarHBondContact O-CG1 3.44Å; D1116-I1120 PolarHBondContact O-N 2.8Å; I1117-I1120 PolarHBondContact O-N 3.25Å; I1120-A1122 PolarHBondContact O-N 3.08Å; I1120-N1123 PolarHBondContact O-N 3.14Å; I1120-E1124 PolarHBondContact O-N 2.9Å; I1120-K1162 HydrophobicContact CG2-CB 3.66Å; I1120-K1162 HydrophobicContact CG2-CD 4.34Å; I1120-L1163 HydrophobicContact CG2-CD2 4.46Å; I1120-V1166 HydrophobicContact CD1-CG2 3.22Å
1121	L	86.6	Confident	82.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-40.3	179.3	-66.2	170.1	0	0	0	112.4	I1117 T1118 E1124 K1125 V1126 V1128 M1146 V1159	I1117-L1121 HydrophobicContact CG2-CD1 4.09Å; I1117-L1121 WeakPolarHBondContact O-CG 3.34Å; I1117-L1121 PolarHBondContact O-N 3.17Å; I1117-L1121 VanDerWaalsContact O-N 3.14Å; T1118-L1121 PolarHBondContact O-N 3.05Å; L1121-E1124 PolarHBondContact O-N 3.31Å; L1121-K1125 PolarHBondContact O-N 3.31Å; L1121-V1126 HydrophobicContact CD2-CB 4.4Å; L1121-V1126 HydrophobicContact CD2-CG1 4.45Å; L1121-V1126 PolarHBondContact O-N 2.69Å; L1121-V1126 VanDerWaalsContact O-N 3.1Å; L1121-V1128 HydrophobicContact CB-CG2 4.05Å; L1121-V1128 HydrophobicContact CD1-CG2 3.68Å; L1121-V1128 HydrophobicContact CG-CG2 4.4Å; L1121-M1146 HydrophobicContact CD1-CE 4.17Å; L1121-M1146 HydrophobicContact CD1-SD 3.5Å; L1121-M1146 VanDerWaalsContact CD1-SD 3.5Å; L1121-V1159 HydrophobicContact CD2-CG1 3.71Å
1122	A	81.2	Confident	82.8	Confident	68 Å²	68	50.6 Å²	50.6	56%	0.562	29%	0.285	S	S	*	.	H	α-helix	trans	-63.5	-42.4	175.9	0	0	0	0	0	112	T1118 T1119 I1120 K1125	T1118-A1122 WeakPolarHBondContact O-CB 3.28Å; T1118-A1122 PolarHBondContact O-N 2.92Å; T1119-A1122 PolarHBondContact O-N 3.22Å; I1120-A1122 PolarHBondContact O-N 3.08Å; A1122-K1125 PolarHBondContact O-N 3.48Å; A1122-K1125 VanDerWaalsContact O-N 3.1Å
1123	N	83.1	Confident	83.1	Confident	120 Å²	120	53.3 Å²	53.3	64%	0.642	30%	0.302	S	S	*	.	H	α-helix	trans	-67.3	-34.6	177.7	-75.9	-21.1	0	0	0	112.7	T1119 I1120 K1125	T1119-N1123 WeakPolarHBondContact O-CB 3.3Å; T1119-N1123 VanDerWaalsContact O-CG 3.32Å; T1119-N1123 PolarHBondContact O-N 3.4Å; T1119-N1123 PolarHBondContact O-ND2 2.93Å; I1120-N1123 PolarHBondContact O-N 3.14Å; N1123-K1125 PolarHBondContact O-N 3.1Å
1124	E	83.8	Confident	83.1	Confident	26 Å²	26	62.3 Å²	62.3	12%	0.121	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	0.7	172.8	-75	-60.5	139.2	0	0	113.7	I1120 L1121 V1126 R1158 V1159 K1162	I1120-E1124 PolarHBondContact O-N 2.9Å; L1121-E1124 PolarHBondContact O-N 3.31Å; E1124-V1126 HydrophobicContact CB-CG2 3.85Å; E1124-V1126 PolarHBondContact O-N 3.41Å; E1124-R1158 WeakPolarHBondContact OE2-CD 3.4Å; E1124-R1158 IonicContact OE2-CZ 2.72Å; E1124-R1158 IonicContact OE2-NH1 3.51Å; E1124-R1158 PolarHBondContact OE2-NH1 2.95Å; E1124-V1159 HydrophobicContact CB-CG2 4Å; E1124-V1159 HydrophobicContact CG-CG2 4.08Å; E1124-K1162 HydrophobicContact CG-CD 3.98Å; E1124-K1162 WeakPolarHBondContact OE1-CD 3.47Å; E1124-K1162 WeakPolarHBondContact OE1-CE 3.48Å; E1124-K1162 IonicContact OE1-NZ 2.72Å; E1124-K1162 PolarHBondContact OE1-NZ 3.26Å
1125	K	81.3	Confident	83.1	Confident	176 Å²	176	63.7 Å²	63.7	77%	0.765	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.4	-178.8	-53.9	178.8	-177.5	178.3	0	112.6	L1121 A1122 N1123	L1121-K1125 PolarHBondContact O-N 3.31Å; A1122-K1125 PolarHBondContact O-N 3.48Å; A1122-K1125 VanDerWaalsContact O-N 3.1Å; N1123-K1125 PolarHBondContact O-N 3.1Å
1126	V	83.6	Confident	83.2	Confident	11 Å²	11	61.5 Å²	61.5	7%	0.067	34%	0.344	C	S	.	.			trans	-89.4	124.3	176.2	179.4	0	0	0	0	108.5	L1121 E1124 V1128 I1148 I1150 V1159	L1121-V1126 HydrophobicContact CD2-CB 4.4Å; L1121-V1126 HydrophobicContact CD2-CG1 4.45Å; L1121-V1126 PolarHBondContact O-N 2.69Å; L1121-V1126 VanDerWaalsContact O-N 3.1Å; E1124-V1126 HydrophobicContact CB-CG2 3.85Å; E1124-V1126 PolarHBondContact O-N 3.41Å; V1126-V1128 PolarHBondContact O-N 3.06Å; V1126-I1148 HydrophobicContact CG1-CB 3.68Å; V1126-I1148 HydrophobicContact CG1-CD1 4.05Å; V1126-I1148 HydrophobicContact CG1-CG1 4.37Å; V1126-I1148 HydrophobicContact CG1-CG2 4.03Å; V1126-I1150 HydrophobicContact CG2-CD1 4.48Å; V1126-V1159 HydrophobicContact CG2-CG2 3.55Å
1127	N	81.2	Confident	82.7	Confident	66 Å²	66	64.7 Å²	64.7	35%	0.353	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.9	175.5	-70.5	-28.5	0	0	0	109.5	I1148 E1149	N1127-I1148 CarbonylContact O-C 3.59Å; N1127-I1148 WeakPolarHBondContact O-CA 3.5Å; N1127-E1149 HydrophobicContact CB-CB 4.08Å; N1127-E1149 PolarHBondContact ND2-OE2 2.83Å; N1127-E1149 VanDerWaalsContact ND2-OE2 3.11Å; N1127-E1149 PolarHBondContact O-N 3.5Å
1128	V	82.6	Confident	82.3	Confident	33 Å²	33	73.9 Å²	73.9	20%	0.2	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111	174.3	-173	0	0	0	0	108.1	L1014 L1121 V1126 V1131 T1147 I1148	L1014-V1128 HydrophobicContact CD2-CB 4.17Å; L1014-V1128 HydrophobicContact CD2-CG1 4.49Å; L1121-V1128 HydrophobicContact CB-CG2 4.05Å; L1121-V1128 HydrophobicContact CD1-CG2 3.68Å; L1121-V1128 HydrophobicContact CG-CG2 4.4Å; V1126-V1128 PolarHBondContact O-N 3.06Å; V1128-V1131 HydrophobicContact CG1-CG2 3.48Å; V1128-V1131 VanDerWaalsContact CG1-CG2 3.48Å; V1128-T1147 CarbonylContact C-O 3.57Å; V1128-I1148 HydrophobicContact CG2-CG2 4.29Å
1129	L	80.7	Confident	82.4	Confident	92 Å²	92	79 Å²	79	48%	0.482	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-26.5	-177.9	-60.4	173.9	0	0	0	112.4	S1100 T1147 E1149	S1100-L1129 WeakPolarHBondContact OG-CD1 3.16Å; L1129-T1147 HydrophobicContact CB-CG2 3.99Å; L1129-T1147 HydrophobicContact CD1-CG2 4.14Å; L1129-T1147 PolarHBondContact N-O 3.3Å; L1129-E1149 HydrophobicContact CD1-CB 4.23Å; L1129-E1149 HydrophobicContact CG-CB 4.4Å
1130	G	81.8	Confident	82.5	Confident	30 Å²	30	82.9 Å²	82.9	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	150.9	178.3	0	0	0	0	0	111.6	M1146 T1147	G1130-M1146 CarbonylContact O-C 3.56Å; G1130-M1146 WeakPolarHBondContact O-CA 3.28Å; G1130-T1147 PolarHBondContact N-O 3.14Å; G1130-T1147 PolarHBondContact O-N 3.44Å
1131	V	84.4	Confident	82.6	Confident	53 Å²	53	83 Å²	83	32%	0.321	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.6	177.4	-177	0	0	0	0	108.1	L1014 V1128 I1144 M1146	L1014-V1131 HydrophobicContact CD1-CG2 4.36Å; V1128-V1131 HydrophobicContact CG1-CG2 3.48Å; V1128-V1131 VanDerWaalsContact CG1-CG2 3.48Å; V1131-I1144 HydrophobicContact CG1-CG2 3.74Å; V1131-M1146 HydrophobicContact CG1-CG 4.22Å; V1131-M1146 HydrophobicContact CG2-CG 4.25Å
1132	A	83.8	Confident	82.6	Confident	54 Å²	54	83 Å²	83	45%	0.446	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.2	171.3	0	0	0	0	0	108.3	I1144 D1145	A1132-I1144 CarbonylContact O-C 3.52Å; A1132-I1144 WeakPolarHBondContact O-CA 3.47Å; A1132-D1145 HydrophobicContact CB-CB 4.4Å; A1132-D1145 PolarHBondContact N-O 3.04Å; A1132-D1145 PolarHBondContact O-N 3.23Å
1133	S	83.1	Confident	83.1	Confident	67 Å²	67	81.8 Å²	81.8	47%	0.469	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.9	178.7	-178.9	0	0	0	0	110.3
1134	R	84.9	Confident	83.4	Confident	193 Å²	193	76.3 Å²	76.3	73%	0.728	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.5	171.4	-56.8	-178	-169.3	-172.7	3.2	107.5	T1143	R1134-T1143 PolarHBondContact N-O 3.34Å; R1134-T1143 PolarHBondContact O-N 3.09Å
1135	S	80.2	Confident	83.8	Confident	56 Å²	56	76.3 Å²	76.3	39%	0.392	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.1	171.5	174.9	0	0	0	0	109.5	D1109	D1109-S1135 WeakPolarHBondContact OD2-CB 3.21Å; D1109-S1135 PolarHBondContact OD2-OG 3.47Å
1136	D	82.2	Confident	84.1	Confident	68 Å²	68	68 Å²	68	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	98.5	165.2	-173.1	-17.9	0	0	0	108.6	K1138 Q1139 Q1140 L1141	D1136-K1138 PolarHBondContact O-N 3.39Å; D1136-K1138 WeakPolarHBondContact OD1-CB 3.4Å; D1136-K1138 PolarHBondContact OD1-N 3.24Å; D1136-Q1139 PolarHBondContact O-N 2.93Å; D1136-Q1139 PolarHBondContact OD1-N 2.77Å; D1136-Q1140 PolarHBondContact O-N 3.46Å; D1136-L1141 PolarHBondContact N-O 2.89Å; D1136-L1141 PolarHBondContact O-N 3.26Å
1137	T	75.8	Confident	84.3	Confident	122 Å²	122	69.6 Å²	69.6	75%	0.748	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	-179.5	50.6	0	0	0	0	113.7
1138	K	78.9	Confident	84.7	Confident	195 Å²	195	66.5 Å²	66.5	85%	0.848	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-35.1	177.5	-65.7	-178	179.6	178.1	0	112.3	D1136	D1136-K1138 PolarHBondContact O-N 3.39Å; D1136-K1138 WeakPolarHBondContact OD1-CB 3.4Å; D1136-K1138 PolarHBondContact OD1-N 3.24Å
1139	Q	82.5	Confident	84.9	Confident	131 Å²	131	66.5 Å²	66.5	61%	0.612	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-6	-179.2	-63	-167.2	-6.4	0	0	113.3	D1136 L1141	D1136-Q1139 PolarHBondContact O-N 2.93Å; D1136-Q1139 PolarHBondContact OD1-N 2.77Å; Q1139-L1141 HydrophobicContact CB-CB 4.31Å; Q1139-L1141 HydrophobicContact CB-CD1 4Å; Q1139-L1141 HydrophobicContact CB-CG 4.01Å; Q1139-L1141 PolarHBondContact O-N 2.96Å
1140	Q	83.8	Confident	85.1	Confident	145 Å²	145	62.2 Å²	62.2	68%	0.678	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	36.7	-169.9	-62.4	-168.5	-34.5	0	0	112.5	D1109 D1136	D1109-Q1140 PolarHBondContact N-O 2.92Å; D1136-Q1140 PolarHBondContact O-N 3.46Å
1141	L	88.8	Confident	85	Confident	35 Å²	35	65.5 Å²	65.5	18%	0.183	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.7	-179.9	-70.8	178.2	0	0	0	110.7	A1107 D1136 Q1139 I1170	A1107-L1141 CarbonylContact O-C 3.6Å; A1107-L1141 WeakPolarHBondContact O-CA 3.4Å; D1136-L1141 PolarHBondContact N-O 2.89Å; D1136-L1141 PolarHBondContact O-N 3.26Å; Q1139-L1141 HydrophobicContact CB-CB 4.31Å; Q1139-L1141 HydrophobicContact CB-CD1 4Å; Q1139-L1141 HydrophobicContact CB-CG 4.01Å; Q1139-L1141 PolarHBondContact O-N 2.96Å; L1141-I1170 HydrophobicContact CD2-CD1 3.29Å
1142	A	87.5	Confident	84.9	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	169	0	0	0	0	0	109.8	V1106 A1107 D1109 L1113	V1106-A1142 WeakPolarHBondContact CA-O 3.45Å; A1107-A1142 PolarHBondContact N-O 3.37Å; A1107-A1142 PolarHBondContact O-N 3.15Å; D1109-A1142 HydrophobicContact CB-CB 4.15Å; L1113-A1142 HydrophobicContact CD2-CB 4.16Å
1143	T	91	Very high	84.9	Confident	43 Å²	43	66 Å²	66	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.2	170.1	-56.7	0	0	0	0	109	R1104 V1105 V1106 R1134	R1104-T1143 HydrophobicContact CG-CG2 4.03Å; V1105-T1143 WeakPolarHBondContact O-CA 3.45Å; V1106-T1143 HydrophobicContact CG2-CG2 4.35Å; R1134-T1143 PolarHBondContact N-O 3.34Å; R1134-T1143 PolarHBondContact O-N 3.09Å
1144	I	89.8	Confident	85	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113	-177.3	-57	162	0	0	0	109.2	V1105 L1113 I1117 V1131 A1132 M1146	V1105-I1144 PolarHBondContact N-O 3.49Å; V1105-I1144 PolarHBondContact O-N 3.02Å; L1113-I1144 HydrophobicContact CD2-CD1 4.13Å; I1117-I1144 HydrophobicContact CD1-CD1 3.67Å; V1131-I1144 HydrophobicContact CG1-CG2 3.74Å; A1132-I1144 CarbonylContact O-C 3.52Å; A1132-I1144 WeakPolarHBondContact O-CA 3.47Å; I1144-M1146 HydrophobicContact CG2-CG 3.79Å; I1144-M1146 HydrophobicContact CG2-SD 4.26Å
1145	D	91	Very high	85.1	Confident	25 Å²	25	62.1 Å²	62.1	13%	0.134	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.7	173.9	-71.8	-19.7	0	0	0	109.4	V1102 R1104 A1132	V1102-D1145 HydrophobicContact CG1-CB 4.15Å; R1104-D1145 VanDerWaalsContact CB-OD1 3.24Å; R1104-D1145 WeakPolarHBondContact CB-OD1 3.35Å; R1104-D1145 VanDerWaalsContact CG-OD1 3.26Å; R1104-D1145 WeakPolarHBondContact CG-OD1 3.23Å; R1104-D1145 IonicContact CZ-OD1 2.79Å; R1104-D1145 IonicContact CZ-OD2 3.53Å; R1104-D1145 IonicContact NE-OD1 3.04Å; R1104-D1145 PolarHBondContact NE-OD1 2.86Å; R1104-D1145 IonicContact NE-OD2 2.73Å; R1104-D1145 IonicContact NH2-OD1 2.63Å; R1104-D1145 PolarHBondContact NH2-OD1 3.29Å; R1104-D1145 IonicContact NH2-OD2 3.46Å; R1104-D1145 PolarHBondContact NH2-OD2 3.49Å; A1132-D1145 HydrophobicContact CB-CB 4.4Å; A1132-D1145 PolarHBondContact N-O 3.04Å; A1132-D1145 PolarHBondContact O-N 3.23Å
1146	M	88.7	Confident	85.5	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.2	-178.4	-62.2	179.5	-70.6	0	0	110.2	V1102 V1103 V1105 I1117 L1121 G1130 V1131 I1144 I1148 L1163	V1102-M1146 CarbonylContact C-O 3.55Å; V1102-M1146 WeakPolarHBondContact CA-O 3.42Å; V1103-M1146 PolarHBondContact N-O 3.39Å; V1103-M1146 PolarHBondContact O-N 2.79Å; V1105-M1146 HydrophobicContact CB-CE 4.37Å; V1105-M1146 HydrophobicContact CG2-CE 3.39Å; I1117-M1146 HydrophobicContact CG2-CE 3.66Å; I1117-M1146 HydrophobicContact CG2-SD 3.45Å; I1117-M1146 WeakPolarHBondContact CG2-SD 3.32Å; L1121-M1146 HydrophobicContact CD1-CE 4.17Å; L1121-M1146 HydrophobicContact CD1-SD 3.5Å; L1121-M1146 VanDerWaalsContact CD1-SD 3.5Å; G1130-M1146 CarbonylContact O-C 3.56Å; G1130-M1146 WeakPolarHBondContact O-CA 3.28Å; V1131-M1146 HydrophobicContact CG1-CG 4.22Å; V1131-M1146 HydrophobicContact CG2-CG 4.25Å; I1144-M1146 HydrophobicContact CG2-CG 3.79Å; I1144-M1146 HydrophobicContact CG2-SD 4.26Å; M1146-I1148 HydrophobicContact CB-CG2 4.16Å; M1146-I1148 PolarHBondContact O-N 3.38Å; M1146-L1163 HydrophobicContact CE-CD1 4.14Å
1147	T	88.6	Confident	85.8	Confident	45 Å²	45	58.6 Å²	58.6	28%	0.276	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.3	169	-50.7	0	0	0	0	107.6	S1100 L1101 V1102 V1128 L1129 G1130	S1100-T1147 WeakPolarHBondContact OG-CG2 3.47Å; L1101-T1147 WeakPolarHBondContact O-CA 3.48Å; V1102-T1147 HydrophobicContact CG2-CG2 4.48Å; V1128-T1147 CarbonylContact C-O 3.57Å; L1129-T1147 HydrophobicContact CB-CG2 3.99Å; L1129-T1147 HydrophobicContact CD1-CG2 4.14Å; L1129-T1147 PolarHBondContact N-O 3.3Å; G1130-T1147 PolarHBondContact N-O 3.14Å; G1130-T1147 PolarHBondContact O-N 3.44Å
1148	I	88.3	Confident	86.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.8	-177.3	61.6	170.7	0	0	0	111	S1100 L1101 V1103 V1126 N1127 V1128 M1146 I1150 L1156	S1100-I1148 WeakPolarHBondContact CA-O 3.31Å; L1101-I1148 HydrophobicContact CD1-CD1 4Å; L1101-I1148 HydrophobicContact CD1-CG1 3.78Å; L1101-I1148 HydrophobicContact CG-CG1 4.12Å; L1101-I1148 PolarHBondContact N-O 3.22Å; L1101-I1148 PolarHBondContact O-N 2.8Å; V1103-I1148 HydrophobicContact CG2-CD1 3.52Å; V1103-I1148 HydrophobicContact CG2-CG1 4.07Å; V1126-I1148 HydrophobicContact CG1-CB 3.68Å; V1126-I1148 HydrophobicContact CG1-CD1 4.05Å; V1126-I1148 HydrophobicContact CG1-CG1 4.37Å; V1126-I1148 HydrophobicContact CG1-CG2 4.03Å; N1127-I1148 CarbonylContact O-C 3.59Å; N1127-I1148 WeakPolarHBondContact O-CA 3.5Å; V1128-I1148 HydrophobicContact CG2-CG2 4.29Å; M1146-I1148 HydrophobicContact CB-CG2 4.16Å; M1146-I1148 PolarHBondContact O-N 3.38Å; I1148-I1150 HydrophobicContact CD1-CD1 4.02Å; I1148-L1156 HydrophobicContact CD1-CD1 4.42Å
1149	E	86.3	Confident	87	Confident	33 Å²	33	49.4 Å²	49.4	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.9	171	-172.6	-179.9	-155.4	0	0	109.5	R1024 Y1099 N1127 L1129	R1024-E1149 IonicContact NH2-OE1 3.73Å; R1024-E1149 PolarHBondContact NH2-OE1 3.04Å; Y1099-E1149 CarbonylContact O-C 3.58Å; Y1099-E1149 WeakPolarHBondContact O-CA 3.37Å; N1127-E1149 HydrophobicContact CB-CB 4.08Å; N1127-E1149 PolarHBondContact ND2-OE2 2.83Å; N1127-E1149 VanDerWaalsContact ND2-OE2 3.11Å; N1127-E1149 PolarHBondContact O-N 3.5Å; L1129-E1149 HydrophobicContact CD1-CB 4.23Å; L1129-E1149 HydrophobicContact CG-CB 4.4Å
1150	I	85.4	Confident	87.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.2	-177.7	-146	122.9	0	0	0	111.2	I1050 Y1099 L1101 V1126 I1148 V1155 L1156 V1159	I1050-I1150 HydrophobicContact CD1-CG2 3.83Å; I1050-I1150 HydrophobicContact CG2-CG2 4.34Å; Y1099-I1150 PolarHBondContact N-O 3.02Å; Y1099-I1150 PolarHBondContact O-N 3.36Å; L1101-I1150 HydrophobicContact CD2-CB 4.36Å; L1101-I1150 HydrophobicContact CD2-CG2 3.45Å; L1101-I1150 VanDerWaalsContact CD2-CG2 3.45Å; L1101-I1150 HydrophobicContact CG-CG2 4.37Å; V1126-I1150 HydrophobicContact CG2-CD1 4.48Å; I1148-I1150 HydrophobicContact CD1-CD1 4.02Å; I1150-V1155 HydrophobicContact CD1-CB 4.36Å; I1150-V1155 HydrophobicContact CD1-CG1 3.93Å; I1150-V1155 HydrophobicContact CG1-CB 3.95Å; I1150-V1155 HydrophobicContact CG1-CG1 3.85Å; I1150-L1156 VanDerWaalsContact CD1-CA 3.5Å; I1150-L1156 HydrophobicContact CD1-CB 3.89Å; I1150-L1156 HydrophobicContact CD1-CD1 4.13Å; I1150-L1156 HydrophobicContact CG1-CB 4.21Å; I1150-V1159 HydrophobicContact CD1-CG2 4.29Å
1151	Y	80.7	Confident	87.7	Confident	100 Å²	100	39.2 Å²	39.2	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	-93.9	-34.6	-175.1	-58.9	-81.4	0	0	0	113.8
1152	N	81	Confident	87.8	Confident	45 Å²	45	41.2 Å²	41.2	24%	0.241	22%	0.217	C	C	.	.	S	Bend	trans	-156.6	167.9	-177.3	63.2	49.2	0	0	0	111.4	P1051 Q1154 V1155 L1156	P1051-N1152 HydrophobicContact CB-CB 4.49Å; N1152-Q1154 VanDerWaalsContact C-N 3.31Å; N1152-Q1154 PolarHBondContact O-N 3.18Å; N1152-Q1154 WeakPolarHBondContact OD1-CB 3.36Å; N1152-Q1154 PolarHBondContact OD1-N 2.73Å; N1152-Q1154 VanDerWaalsContact OD1-N 3.09Å; N1152-V1155 PolarHBondContact O-N 2.71Å; N1152-V1155 WeakPolarHBondContact OD1-CG2 3.4Å; N1152-V1155 PolarHBondContact OD1-N 3.3Å; N1152-L1156 PolarHBondContact O-N 3.43Å
1153	L	84.9	Confident	88.1	Confident	72 Å²	72	41.2 Å²	41.2	38%	0.377	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-32.2	-179.4	-169	66.4	0	0	0	113.6	I1050 P1051 L1156 G1157	I1050-L1153 HydrophobicContact CD1-CB 4.38Å; I1050-L1153 HydrophobicContact CD1-CD1 4.1Å; I1050-L1153 HydrophobicContact CG1-CD1 4.43Å; P1051-L1153 PolarHBondContact O-N 3.39Å; L1153-L1156 HydrophobicContact CD1-CD2 4.3Å; L1153-L1156 PolarHBondContact O-N 3.32Å; L1153-G1157 PolarHBondContact O-N 3.34Å
1154	Q	85.3	Confident	88.1	Confident	155 Å²	155	42.6 Å²	42.6	72%	0.724	22%	0.222	S	C	*	.	H	α-helix	trans	-64.6	-42.8	178	-79.1	-174.4	-18.5	0	0	112.4	N1152 G1157 R1158	N1152-Q1154 VanDerWaalsContact C-N 3.31Å; N1152-Q1154 PolarHBondContact O-N 3.18Å; N1152-Q1154 WeakPolarHBondContact OD1-CB 3.36Å; N1152-Q1154 PolarHBondContact OD1-N 2.73Å; N1152-Q1154 VanDerWaalsContact OD1-N 3.09Å; Q1154-G1157 PolarHBondContact O-N 3.27Å; Q1154-R1158 PolarHBondContact O-N 3.09Å; Q1154-R1158 VanDerWaalsContact O-N 3.08Å
1155	V	85.9	Confident	88.1	Confident	24 Å²	24	49.6 Å²	49.6	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-41.1	176.8	-179.5	0	0	0	0	110	I1150 N1152 G1157 R1158 V1159	I1150-V1155 HydrophobicContact CD1-CB 4.36Å; I1150-V1155 HydrophobicContact CD1-CG1 3.93Å; I1150-V1155 HydrophobicContact CG1-CB 3.95Å; I1150-V1155 HydrophobicContact CG1-CG1 3.85Å; N1152-V1155 PolarHBondContact O-N 2.71Å; N1152-V1155 WeakPolarHBondContact OD1-CG2 3.4Å; N1152-V1155 PolarHBondContact OD1-N 3.3Å; V1155-G1157 PolarHBondContact O-N 2.97Å; V1155-R1158 PolarHBondContact O-N 3.07Å; V1155-V1159 HydrophobicContact CG1-CG2 4.27Å; V1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; V1155-V1159 PolarHBondContact O-N 3.01Å
1156	L	89.3	Confident	88	Confident	5 Å²	5	49 Å²	49	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.7	178.7	62.6	0	0	0	111.8	I1050 L1101 V1103 I1148 I1150 N1152 L1153 R1158 V1159 L1160	I1050-L1156 HydrophobicContact CD1-CB 4.23Å; I1050-L1156 HydrophobicContact CD1-CD2 3.79Å; L1101-L1156 HydrophobicContact CD1-CD1 3.94Å; L1101-L1156 HydrophobicContact CD2-CD1 4.11Å; L1101-L1156 HydrophobicContact CD2-CD2 3.84Å; L1101-L1156 HydrophobicContact CD2-CG 4.5Å; V1103-L1156 HydrophobicContact CG2-CD1 4.12Å; I1148-L1156 HydrophobicContact CD1-CD1 4.42Å; I1150-L1156 VanDerWaalsContact CD1-CA 3.5Å; I1150-L1156 HydrophobicContact CD1-CB 3.89Å; I1150-L1156 HydrophobicContact CD1-CD1 4.13Å; I1150-L1156 HydrophobicContact CG1-CB 4.21Å; N1152-L1156 PolarHBondContact O-N 3.43Å; L1153-L1156 HydrophobicContact CD1-CD2 4.3Å; L1153-L1156 PolarHBondContact O-N 3.32Å; L1156-R1158 VanDerWaalsContact C-N 3.3Å; L1156-R1158 PolarHBondContact O-N 2.89Å; L1156-V1159 PolarHBondContact O-N 3.22Å; L1156-L1160 HydrophobicContact CD1-CD1 3.99Å; L1156-L1160 HydrophobicContact CD1-CG 4Å; L1156-L1160 HydrophobicContact CG-CD1 3.93Å; L1156-L1160 HydrophobicContact CG-CG 4.34Å; L1156-L1160 WeakPolarHBondContact O-CG 3.47Å; L1156-L1160 PolarHBondContact O-N 3.44Å
1157	G	89.1	Confident	87.8	Confident	45 Å²	45	54.7 Å²	54.7	46%	0.464	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-41.5	177.9	0	0	0	0	0	112.6	L1153 Q1154 V1155 G1161	L1153-G1157 PolarHBondContact O-N 3.34Å; Q1154-G1157 PolarHBondContact O-N 3.27Å; V1155-G1157 PolarHBondContact O-N 2.97Å; G1157-G1161 PolarHBondContact O-N 3.27Å
1158	R	88	Confident	87.7	Confident	124 Å²	124	54.3 Å²	54.3	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-43.1	176.9	-160.5	-170.9	-45.5	135.3	0.8	112.4	E1124 Q1154 V1155 L1156 G1161 K1162	E1124-R1158 WeakPolarHBondContact OE2-CD 3.4Å; E1124-R1158 IonicContact OE2-CZ 2.72Å; E1124-R1158 IonicContact OE2-NH1 3.51Å; E1124-R1158 PolarHBondContact OE2-NH1 2.95Å; Q1154-R1158 PolarHBondContact O-N 3.09Å; Q1154-R1158 VanDerWaalsContact O-N 3.08Å; V1155-R1158 PolarHBondContact O-N 3.07Å; L1156-R1158 VanDerWaalsContact C-N 3.3Å; L1156-R1158 PolarHBondContact O-N 2.89Å; R1158-G1161 PolarHBondContact O-N 3.39Å; R1158-K1162 PolarHBondContact O-N 3Å
1159	V	90.5	Very high	87.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-47.4	179.4	171.8	0	0	0	0	110.8	L1121 E1124 V1126 I1150 V1155 L1156 G1161 K1162 L1163	L1121-V1159 HydrophobicContact CD2-CG1 3.71Å; E1124-V1159 HydrophobicContact CB-CG2 4Å; E1124-V1159 HydrophobicContact CG-CG2 4.08Å; V1126-V1159 HydrophobicContact CG2-CG2 3.55Å; I1150-V1159 HydrophobicContact CD1-CG2 4.29Å; V1155-V1159 HydrophobicContact CG1-CG2 4.27Å; V1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; V1155-V1159 PolarHBondContact O-N 3.01Å; L1156-V1159 PolarHBondContact O-N 3.22Å; V1159-G1161 VanDerWaalsContact C-N 3.31Å; V1159-G1161 PolarHBondContact O-N 2.98Å; V1159-K1162 PolarHBondContact O-N 3.49Å; V1159-L1163 HydrophobicContact CG1-CD1 4.04Å; V1159-L1163 HydrophobicContact CG1-CG 4.49Å; V1159-L1163 WeakPolarHBondContact O-CG 3.48Å; V1159-L1163 PolarHBondContact O-N 3.35Å
1160	L	92.3	Very high	88	Confident	29 Å²	29	58 Å²	58	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-41.9	174.9	-68.1	175.1	0	0	0	111.3	V1103 L1156 K1162 L1163 N1164 A1172	V1103-L1160 HydrophobicContact CG1-CD2 3.52Å; V1103-L1160 HydrophobicContact CG2-CD2 4.15Å; L1156-L1160 HydrophobicContact CD1-CD1 3.99Å; L1156-L1160 HydrophobicContact CD1-CG 4Å; L1156-L1160 HydrophobicContact CG-CD1 3.93Å; L1156-L1160 HydrophobicContact CG-CG 4.34Å; L1156-L1160 WeakPolarHBondContact O-CG 3.47Å; L1156-L1160 PolarHBondContact O-N 3.44Å; L1160-K1162 PolarHBondContact O-N 3.37Å; L1160-L1163 PolarHBondContact O-N 3.25Å; L1160-N1164 WeakPolarHBondContact O-CB 3.39Å; L1160-N1164 PolarHBondContact O-N 3.41Å; L1160-N1164 PolarHBondContact O-ND2 3.03Å; L1160-A1172 HydrophobicContact CD2-CB 4.35Å
1161	G	90.2	Very high	88.4	Confident	32 Å²	32	60.7 Å²	60.7	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-44.3	175	0	0	0	0	0	113	G1157 R1158 V1159 N1164 Q1165	G1157-G1161 PolarHBondContact O-N 3.27Å; R1158-G1161 PolarHBondContact O-N 3.39Å; V1159-G1161 VanDerWaalsContact C-N 3.31Å; V1159-G1161 PolarHBondContact O-N 2.98Å; G1161-N1164 PolarHBondContact O-N 3.25Å; G1161-Q1165 WeakPolarHBondContact O-CG 3.27Å; G1161-Q1165 PolarHBondContact O-N 3.38Å; G1161-Q1165 VanDerWaalsContact O-N 3.17Å
1162	K	90.8	Very high	89	Confident	78 Å²	78	56.1 Å²	56.1	34%	0.339	30%	0.303	S	S	.	.	H	α-helix	trans	-70.3	-36.5	176.9	-73.9	-170	171.7	-171.2	0	113.3	I1120 E1124 R1158 V1159 L1160 N1164 Q1165	I1120-K1162 HydrophobicContact CG2-CB 3.66Å; I1120-K1162 HydrophobicContact CG2-CD 4.34Å; E1124-K1162 HydrophobicContact CG-CD 3.98Å; E1124-K1162 WeakPolarHBondContact OE1-CD 3.47Å; E1124-K1162 WeakPolarHBondContact OE1-CE 3.48Å; E1124-K1162 IonicContact OE1-NZ 2.72Å; E1124-K1162 PolarHBondContact OE1-NZ 3.26Å; R1158-K1162 PolarHBondContact O-N 3Å; V1159-K1162 PolarHBondContact O-N 3.49Å; L1160-K1162 PolarHBondContact O-N 3.37Å; K1162-N1164 VanDerWaalsContact C-N 3.35Å; K1162-Q1165 WeakPolarHBondContact O-CB 3.23Å; K1162-Q1165 PolarHBondContact O-N 2.98Å
1163	L	91.9	Very high	89.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-42.7	174.1	-71.8	171.4	0	0	0	110.9	V1103 V1105 I1117 I1120 M1146 V1159 L1160 Q1165 V1166 V1169 A1172	V1103-L1163 HydrophobicContact CG1-CD1 4.17Å; V1105-L1163 HydrophobicContact CG2-CD1 4.09Å; I1117-L1163 HydrophobicContact CB-CD2 4.42Å; I1117-L1163 HydrophobicContact CG1-CD2 4.36Å; I1117-L1163 HydrophobicContact CG2-CD2 3.85Å; I1120-L1163 HydrophobicContact CG2-CD2 4.46Å; M1146-L1163 HydrophobicContact CE-CD1 4.14Å; V1159-L1163 HydrophobicContact CG1-CD1 4.04Å; V1159-L1163 HydrophobicContact CG1-CG 4.49Å; V1159-L1163 WeakPolarHBondContact O-CG 3.48Å; V1159-L1163 PolarHBondContact O-N 3.35Å; L1160-L1163 PolarHBondContact O-N 3.25Å; L1163-Q1165 PolarHBondContact O-N 3.34Å; L1163-V1166 WeakPolarHBondContact O-CB 3.47Å; L1163-V1166 PolarHBondContact O-N 2.9Å; L1163-V1169 WeakPolarHBondContact O-CB 3.4Å; L1163-A1172 HydrophobicContact CB-CB 3.74Å; L1163-A1172 HydrophobicContact CD1-CB 4.42Å
1164	N	91.9	Very high	89.6	Confident	73 Å²	73	58 Å²	58	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-68.5	-14.9	175.4	-74.2	-34.1	0	0	0	113.9	L1160 G1161 K1162 V1166 A1172	L1160-N1164 WeakPolarHBondContact O-CB 3.39Å; L1160-N1164 PolarHBondContact O-N 3.41Å; L1160-N1164 PolarHBondContact O-ND2 3.03Å; G1161-N1164 PolarHBondContact O-N 3.25Å; K1162-N1164 VanDerWaalsContact C-N 3.35Å; N1164-V1166 VanDerWaalsContact C-N 3.33Å; N1164-A1172 PolarHBondContact ND2-O 3.24Å; N1164-A1172 VanDerWaalsContact OD1-CB 3.26Å; N1164-A1172 WeakPolarHBondContact OD1-CB 3.42Å; N1164-A1172 PolarHBondContact OD1-N 3.43Å
1165	Q	89.8	Confident	89.6	Confident	152 Å²	152	52.8 Å²	52.8	71%	0.71	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.4	173.4	-78.2	173.9	-3.4	0	0	113.1	G1161 K1162 L1163	G1161-Q1165 WeakPolarHBondContact O-CG 3.27Å; G1161-Q1165 PolarHBondContact O-N 3.38Å; G1161-Q1165 VanDerWaalsContact O-N 3.17Å; K1162-Q1165 WeakPolarHBondContact O-CB 3.23Å; K1162-Q1165 PolarHBondContact O-N 2.98Å; L1163-Q1165 PolarHBondContact O-N 3.34Å
1166	V	88.7	Confident	88.9	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.073	29%	0.291	C	S	.	.	S	Bend	trans	-70.9	123.1	175.8	-179.7	0	0	0	0	108.2	I1120 L1163 N1164 D1168 V1169	I1120-V1166 HydrophobicContact CD1-CG2 3.22Å; L1163-V1166 WeakPolarHBondContact O-CB 3.47Å; L1163-V1166 PolarHBondContact O-N 2.9Å; N1164-V1166 VanDerWaalsContact C-N 3.33Å; V1166-D1168 PolarHBondContact O-N 3.21Å; V1166-V1169 HydrophobicContact CB-CB 4.26Å; V1166-V1169 HydrophobicContact CB-CG2 3.73Å; V1166-V1169 HydrophobicContact CG1-CG2 4.03Å; V1166-V1169 PolarHBondContact O-N 3.29Å
1167	P	84.8	Confident	87.5	Confident	121 Å²	121	57.1 Å²	57.1	79%	0.786	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.1	-168.4	-16.7	17.7	0	0	0	115
1168	D	86.5	Confident	85.2	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.203	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.5	-176.2	-49.7	-77.5	0	0	0	113.5	A1107 N1108 R1110 L1113 V1166 I1170	A1107-D1168 CarbonylContact C-O 3.58Å; A1107-D1168 WeakPolarHBondContact CA-O 3.44Å; A1107-D1168 VanDerWaalsContact CB-O 3.25Å; A1107-D1168 WeakPolarHBondContact CB-O 3.45Å; N1108-D1168 HydrophobicContact CB-CB 4.4Å; N1108-D1168 PolarHBondContact N-O 3.13Å; R1110-D1168 IonicContact CZ-OD2 2.82Å; R1110-D1168 VanDerWaalsContact NE-CG 3.31Å; R1110-D1168 IonicContact NE-OD1 3.34Å; R1110-D1168 IonicContact NE-OD2 3.78Å; R1110-D1168 PolarHBondContact NE-OD2 2.88Å; R1110-D1168 IonicContact NH2-OD2 2.65Å; R1110-D1168 PolarHBondContact NH2-OD2 3.36Å; L1113-D1168 HydrophobicContact CD1-CB 4.34Å; V1166-D1168 PolarHBondContact O-N 3.21Å; D1168-I1170 PolarHBondContact O-N 3.44Å
1169	V	90.6	Very high	85	Confident	13 Å²	13	59.9 Å²	59.9	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.7	175.8	172.9	0	0	0	0	108.7	V1105 A1107 L1163 V1166 A1172	V1105-V1169 HydrophobicContact CG1-CB 4.41Å; V1105-V1169 HydrophobicContact CG1-CG1 3.77Å; V1105-V1169 HydrophobicContact CG1-CG2 3.78Å; A1107-V1169 HydrophobicContact CB-CG2 4.15Å; L1163-V1169 WeakPolarHBondContact O-CB 3.4Å; V1166-V1169 HydrophobicContact CB-CB 4.26Å; V1166-V1169 HydrophobicContact CB-CG2 3.73Å; V1166-V1169 HydrophobicContact CG1-CG2 4.03Å; V1166-V1169 PolarHBondContact O-N 3.29Å; V1169-A1172 HydrophobicContact CG1-CB 4.13Å
1170	I	91.4	Very high	84.7	Confident	99 Å²	99	63 Å²	63	51%	0.508	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-43.6	178.4	-57.8	175.3	0	0	0	110	V1106 L1141 D1168	V1106-I1170 WeakPolarHBondContact O-CB 3.43Å; V1106-I1170 PolarHBondContact O-N 3.15Å; L1141-I1170 HydrophobicContact CD2-CD1 3.29Å; D1168-I1170 PolarHBondContact O-N 3.44Å
1171	D	93.4	Very high	84.3	Confident	56 Å²	56	64.9 Å²	64.9	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	127.9	-178.8	177.8	36.7	0	0	0	110.7	V1105 V1106 R1173	V1105-D1171 CarbonylContact C-O 3.5Å; V1105-D1171 WeakPolarHBondContact CA-O 3.46Å; V1106-D1171 PolarHBondContact N-O 3.39Å; V1106-D1171 PolarHBondContact O-N 3.36Å; V1106-D1171 VanDerWaalsContact O-N 3.14Å; D1171-R1173 WeakPolarHBondContact OD2-CD 3.42Å; D1171-R1173 WeakPolarHBondContact OD2-CG 3.46Å; D1171-R1173 IonicContact OD2-CZ 3.88Å; D1171-R1173 IonicContact OD2-NE 2.66Å; D1171-R1173 PolarHBondContact OD2-NE 3.17Å
1172	A	92.6	Very high	84	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.033	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.4	168	0	0	0	0	0	109.9	R1104 V1105 L1160 L1163 N1164 V1169	R1104-A1172 WeakPolarHBondContact O-CA 3.22Å; V1105-A1172 HydrophobicContact CG2-CB 3.96Å; L1160-A1172 HydrophobicContact CD2-CB 4.35Å; L1163-A1172 HydrophobicContact CB-CB 3.74Å; L1163-A1172 HydrophobicContact CD1-CB 4.42Å; N1164-A1172 PolarHBondContact ND2-O 3.24Å; N1164-A1172 VanDerWaalsContact OD1-CB 3.26Å; N1164-A1172 WeakPolarHBondContact OD1-CB 3.42Å; N1164-A1172 PolarHBondContact OD1-N 3.43Å; V1169-A1172 HydrophobicContact CG1-CB 4.13Å
1173	R	91.2	Very high	83.5	Confident	135 Å²	135	66.1 Å²	66.1	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	-178.3	59	-179.3	168.8	123.8	-0.4	112.8	R1104 D1171 L1175	R1104-R1173 PolarHBondContact N-O 3.33Å; R1104-R1173 PolarHBondContact O-N 3Å; D1171-R1173 WeakPolarHBondContact OD2-CD 3.42Å; D1171-R1173 WeakPolarHBondContact OD2-CG 3.46Å; D1171-R1173 IonicContact OD2-CZ 3.88Å; D1171-R1173 IonicContact OD2-NE 2.66Å; D1171-R1173 PolarHBondContact OD2-NE 3.17Å; R1173-L1175 PolarHBondContact O-N 2.94Å
1174	R	87.8	Confident	83	Confident	23 Å²	23	70.5 Å²	70.5	9%	0.087	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.7	170.9	-180	175	171.3	-174.8	-10.7	109.6	C1047 Q1048 D1053 L1101	C1047-R1174 PolarHBondContact O-NH2 3.49Å; Q1048-R1174 PolarHBondContact O-NH2 2.97Å; D1053-R1174 IonicContact OD1-NH1 3.47Å; D1053-R1174 IonicContact OD2-CZ 3.74Å; D1053-R1174 IonicContact OD2-NH1 3.97Å; D1053-R1174 PolarHBondContact OD2-NH1 2.83Å; D1053-R1174 IonicContact OD2-NH2 2.73Å; D1053-R1174 PolarHBondContact OD2-NH2 2.86Å; D1053-R1174 VanDerWaalsContact OD2-NH2 3.08Å; L1101-R1174 HydrophobicContact CD1-CG 4.45Å
1175	L	84.8	Confident	82.3	Confident	44 Å²	44	70.3 Å²	70.3	23%	0.23	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-85.2	116.9	175.7	-173.3	69.3	0	0	0	108.9	V1102 R1104 R1173	V1102-L1175 HydrophobicContact CB-CB 4.21Å; V1102-L1175 HydrophobicContact CG1-CB 4.09Å; V1102-L1175 HydrophobicContact CG1-CD2 3.93Å; V1102-L1175 PolarHBondContact O-N 3.13Å; R1104-L1175 HydrophobicContact CB-CB 4.43Å; R1173-L1175 PolarHBondContact O-N 2.94Å
1176	H	72.3	Confident	81.8	Confident	90 Å²	90	64 Å²	64	42%	0.417	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-82.6	133.4	166.9	-56.5	143.5	0	0	0	108.6	C1046 R1069 S1178	C1046-H1176 CarbonylContact O-C 3.59Å; R1069-H1176 PolarHBondContact NH1-CE1 2.99Å; R1069-H1176 PolarHBondContact NH1-NE2 3.2Å; R1069-H1176 PolarHBondContact NH2-CE1 3.31Å; H1176-S1178 PolarHBondContact O-N 3.43Å; H1176-S1178 VanDerWaalsContact O-N 3.15Å
1177	G	59.3	Low	81.2	Confident	30 Å²	30	68.3 Å²	68.3	31%	0.309	39%	0.386	S	S	.	.			trans	-67.2	108.9	175.1	0	0	0	0	0	109.9	C1046	C1046-G1177 WeakPolarHBondContact CA-O 3.26Å; C1046-G1177 WeakPolarHBondContact O-CA 3.48Å; C1046-G1177 PolarHBondContact O-N 2.74Å
1178	S	39.7	Very low	80.9	Confident	167 Å²	167	63.5 Å²	63.5	100%	1.168	35%	0.349	S	S	*	.			trans	-61.1	0	163	54.6	0	0	0	0	111.4	Q1074 H1176	Q1074-S1178 PolarHBondContact NE2-OXT 2.97Å; H1176-S1178 PolarHBondContact O-N 3.43Å; H1176-S1178 VanDerWaalsContact O-N 3.15Å

Retrieved 1,178 of 1,178 residues in 1651.2 ms (Link to these results)

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