A0A3Q0KTP4_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KTP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,081 aa.

						>A0A3Q0KTP4_SCHMA|A0A3Q0KTP4
MSSLVRMCELCGGHIGEQSELSFEDMVTNWLDENPEFTFKYFVKSASPSMVEAWANGRNHGEYDCLFDNSITVMDEHNDKNDDKTPVTTSLSLPIRKISSQDLELTYDKRILSSNEDGKPTFINSVFFPFPSNEHIDSNTSSVRQTVASPSRPTHLTERDLISELALDICRELDVTSLSFKIVQNVCRLINADRGSFFLVEKSRSTGEDVLVSKLFDITPECIFDDVLQRCSSNHIIVPFNVGVTGYVARTGDYANIPDAYADPRFDDSVDRVTGYKTRCLLCMPIKNVDGKVLGVALVINKKVPSDQHHDQSINSVQPSSCESESISKHASFTEEDVKIFQSYVTFCGIGLHNAQIYEQSRLETYRNQVLLELARIIFSEQLDITRLIYSVLSHTICLLQCQRCQLLLVKTTSSMSSYSSIDEMGPFHDHFSQIFELAWNEKSDSPDVKKKKHSIDEARFPVQLDLAIHVLQTGESLHVNINGTTTISNNNNKNKNNNNEYKKIDETLEEDLDPVWRSRSVLCMPIKHSDGKVLAVCIITNKSTVDLRINNNNFSQQVTRHFDFKPVTDNVQCSSNDNLSSKEPVTMSTSINDWSGIFTYSDEFLFEAFALFVGLGISNSQLYEKAIRSAAKQKVIMDVLSYHATAPTSEAKRLATSLIPTMRFYHLDKFSFTDVRLSDEDTLKACIRMFQEMNFMKSIHFDQLSFARWLLSVRKNYREVTYHNWRHAFNVTQTMFCILLKGDFQSVFTDLECLALLTACLSHDIDHRGTDNQFQIKTMSPLAKLYSTSVLEHHHFNQFMMILSIKGNNFLCNLNRSEYDTVVKLIREAILATDLSRYFARLPKFQQTLHHLKEINDQSTNLWRNDREQRLLLGCMFMTACDVSAITKPWPVQKLTAEMVANEFFEQGDLEKERLNVTPAALMDRERSNELPKLQVSFIDSICVPIYEAIVQVSPNFEPLLKGCKRNRTCWLILSENGEVDHSLYGLNDESETIPGTSTETTAKSITTTTAEGSTQLENVITSTSNIITSLGTLNPDSAERIAKSKPFTSSNIRRASVSSMTTVGGQEPPIQCQSSVESK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	58.1	Low	240 Å²	240	119.6 Å²	119.6	100%	1.182	63%	0.63	S	S	*	*				0	125.9	0	-77.7	-174.1	174	0	0	106.7	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	S	39.7	Very low	59.4	Low	118 Å²	118	112.5 Å²	112.5	83%	0.825	61%	0.606	S	S	*	*			trans	-44.7	126.9	179	48.4	0	0	0	0	110.8	L4	S2-L4 PolarHBondContact O-N 3.21Å
3	S	45.3	Very low	60.2	Low	103 Å²	103	104.5 Å²	104.5	72%	0.72	57%	0.566	S	S	*	*			trans	-50	123.8	177	46.7	0	0	0	0	110	M1 V5	M1-S3 PolarHBondContact O-N 2.84Å; S3-V5 PolarHBondContact O-N 3.41Å
4	L	45.3	Very low	60.6	Low	160 Å²	160	102.4 Å²	102.4	84%	0.838	55%	0.551	S	S	*	*			trans	-54.9	97.9	172.8	-81.7	139.6	0	0	0	109.6	S2 R6	S2-L4 PolarHBondContact O-N 3.21Å; L4-R6 PolarHBondContact O-N 3.19Å; L4-R6 VanDerWaalsContact O-N 3.1Å
5	V	51.1	Low	60.2	Low	71 Å²	71	101.5 Å²	101.5	43%	0.43	55%	0.545	S	S	.	.			trans	-63.4	108.8	166.1	-179.4	0	0	0	0	106.3	S3 H14	S3-V5 PolarHBondContact O-N 3.41Å; V5-H14 HydrophobicContact CG1-CB 3.74Å; V5-H14 WeakPolarHBondContact CG1-ND1 3.37Å
6	R	58.2	Low	59.8	Low	186 Å²	186	99.9 Å²	99.9	70%	0.702	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.6	119.3	175.8	-71.9	-171.1	-177	-171.8	1.5	108.4	L4 I15	L4-R6 PolarHBondContact O-N 3.19Å; L4-R6 VanDerWaalsContact O-N 3.1Å; R6-I15 HydrophobicContact CB-CD1 4.43Å; R6-I15 PolarHBondContact O-N 2.7Å
7	M	72.3	Confident	58.9	Low	116 Å²	116	101.5 Å²	101.5	57%	0.571	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	136.3	172.3	-167.9	177.8	72.6	0	0	109.4	E9 G12	M7-E9 PolarHBondContact O-N 2.77Å; M7-G12 VanDerWaalsContact CG-O 3.31Å; M7-G12 WeakPolarHBondContact CG-O 3.17Å
8	C	71.4	Confident	58.3	Low	19 Å²	19	107.3 Å²	107.3	13%	0.128	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-71.4	123.1	171.3	-177.6	0	0	0	0	109.9	L10 C11 G12 G13 F23	C8-L10 PolarHBondContact O-N 3.13Å; C8-C11 VanDerWaalsContact SG-SG 3.62Å; C8-G12 WeakPolarHBondContact O-CA 3.33Å; C8-G12 PolarHBondContact O-N 2.87Å; C8-G13 WeakPolarHBondContact CB-O 3.47Å; C8-G13 PolarHBondContact N-O 2.76Å; C8-F23 HydrophobicContact CB-CE2 3.78Å; C8-F23 HydrophobicContact CB-CZ 4Å
9	E	74.7	Confident	58	Low	194 Å²	194	104.7 Å²	104.7	91%	0.907	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	177.6	-64.4	-175.9	170.9	0	0	113.5	M7	M7-E9 PolarHBondContact O-N 2.77Å
10	L	72.5	Confident	58	Low	75 Å²	75	107.7 Å²	107.7	39%	0.393	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-62.3	178.4	-64	171.6	0	0	0	111.5	C8 W30 F37	C8-L10 PolarHBondContact O-N 3.13Å; L10-W30 HydrophobicContact CB-CE3 4.21Å; L10-W30 HydrophobicContact CB-CH2 4.41Å; L10-W30 HydrophobicContact CB-CZ3 4.15Å; L10-W30 HydrophobicContact CD2-CH2 4.14Å; L10-W30 HydrophobicContact CD2-CZ3 4.17Å; L10-W30 WeakPolarHBondContact O-CZ2 3.47Å; L10-W30 PolarHBondContact O-NE1 2.88Å; L10-W30 VanDerWaalsContact O-NE1 3.08Å; L10-F37 HydrophobicContact CD2-CE1 4.03Å; L10-F37 HydrophobicContact CD2-CE2 4.1Å; L10-F37 HydrophobicContact CD2-CZ 3.48Å; L10-F37 VanDerWaalsContact CD2-CZ 3.48Å
11	C	76.3	Confident	57.8	Low	34 Å²	34	106.4 Å²	106.4	23%	0.23	58%	0.576	C	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-3.6	-173.8	65.8	0	0	0	0	114.7	C8 G13 W30	C8-C11 VanDerWaalsContact SG-SG 3.62Å; C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 PolarHBondContact SG-N 2.76Å; C11-W30 HydrophobicContact CB-CB 3.52Å; C11-W30 HydrophobicContact CB-CD2 4.4Å; C11-W30 HydrophobicContact CB-CG 3.61Å
12	G	73.6	Confident	59.7	Low	34 Å²	34	97.6 Å²	97.6	35%	0.351	54%	0.538	S	S	.	.			trans	72.7	-3	-173.1	0	0	0	0	0	114.7	M7 C8	M7-G12 VanDerWaalsContact CG-O 3.31Å; M7-G12 WeakPolarHBondContact CG-O 3.17Å; C8-G12 WeakPolarHBondContact O-CA 3.33Å; C8-G12 PolarHBondContact O-N 2.87Å
13	G	69.3	Low	61.3	Low	8 Å²	8	95.9 Å²	95.9	8%	0.082	52%	0.516	C	S	.	.			trans	-65.1	137.9	-178	0	0	0	0	0	113.4	C8 C11	C8-G13 WeakPolarHBondContact CB-O 3.47Å; C8-G13 PolarHBondContact N-O 2.76Å; C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 PolarHBondContact SG-N 2.76Å
14	H	65.9	Low	62.7	Low	76 Å²	76	97.9 Å²	97.9	35%	0.352	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128	-179.9	-68.2	-68.5	0	0	0	111.8	V5 G16	V5-H14 HydrophobicContact CG1-CB 3.74Å; V5-H14 WeakPolarHBondContact CG1-ND1 3.37Å; H14-G16 PolarHBondContact O-N 2.83Å
15	I	54.8	Low	64.1	Low	89 Å²	89	93.6 Å²	93.6	46%	0.456	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	107.9	171.4	-59.3	171.1	0	0	0	108	R6 F23	R6-I15 HydrophobicContact CB-CD1 4.43Å; R6-I15 PolarHBondContact O-N 2.7Å; I15-F23 HydrophobicContact CD1-CD2 4.46Å; I15-F23 HydrophobicContact CD1-CE1 4.34Å; I15-F23 HydrophobicContact CD1-CE2 3.92Å; I15-F23 HydrophobicContact CD1-CZ 3.86Å; I15-F23 HydrophobicContact CG1-CD2 3.58Å; I15-F23 HydrophobicContact CG1-CE1 4.43Å; I15-F23 HydrophobicContact CG1-CE2 3.39Å; I15-F23 HydrophobicContact CG1-CG 4.19Å; I15-F23 HydrophobicContact CG1-CZ 3.86Å
16	G	54	Low	65.3	Low	76 Å²	76	91.9 Å²	91.9	78%	0.784	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	1	170.9	0	0	0	0	0	116.5	H14	H14-G16 PolarHBondContact O-N 2.83Å
17	E	45	Very low	66.3	Low	127 Å²	127	84.5 Å²	84.5	59%	0.593	46%	0.455	S	S	*	.	S	Bend	trans	-94.3	153.6	166.2	-84	-175.8	169.3	0	0	111.5	S19	E17-S19 PolarHBondContact O-N 2.85Å
18	Q	48.4	Very low	66.5	Low	206 Å²	206	81.9 Å²	81.9	96%	0.963	45%	0.445	S	S	*	.			trans	-70.7	71.3	177.8	-68.7	-179.8	-26.1	0	0	110.6
19	S	51.6	Low	66.8	Low	57 Å²	57	84.4 Å²	84.4	40%	0.399	46%	0.458	S	S	.	.			trans	-84.6	139.3	162.6	63.2	0	0	0	0	110.1	E17 L21 M26	E17-S19 PolarHBondContact O-N 2.85Å; S19-L21 PolarHBondContact O-N 2.97Å; S19-L21 PolarHBondContact OG-O 2.9Å; S19-M26 WeakPolarHBondContact OG-CE 3.4Å
20	E	57.4	Low	67.3	Low	165 Å²	165	78 Å²	78	77%	0.771	43%	0.425	S	S	*	.	S	Bend	trans	-62.8	-28.2	178.5	-68.9	-173.9	159.9	0	0	113
21	L	55.6	Low	67.7	Low	81 Å²	81	76 Å²	76	42%	0.424	42%	0.415	S	S	.	.	S	Bend	trans	-86.9	136.7	172.9	-73.5	159.5	0	0	0	109.4	S19 D25 M26	S19-L21 PolarHBondContact O-N 2.97Å; S19-L21 PolarHBondContact OG-O 2.9Å; L21-D25 HydrophobicContact CB-CB 4.1Å; L21-D25 HydrophobicContact CD2-CB 3.66Å; L21-D25 HydrophobicContact CG-CB 4.47Å; L21-M26 HydrophobicContact CB-CG 4.01Å
22	S	71.5	Confident	67.6	Low	54 Å²	54	80 Å²	80	38%	0.378	43%	0.434	S	S	.	.			trans	-60.2	155	169.6	73.6	0	0	0	0	109.6	E24 D25 M26	S22-E24 PolarHBondContact O-N 3.11Å; S22-E24 VanDerWaalsContact O-N 3.16Å; S22-D25 WeakPolarHBondContact CB-OD2 3.42Å; S22-D25 PolarHBondContact N-OD2 2.77Å; S22-D25 PolarHBondContact O-N 3.41Å; S22-D25 PolarHBondContact OG-N 3.07Å; S22-D25 PolarHBondContact OG-OD2 3.06Å; S22-M26 PolarHBondContact O-N 2.96Å
23	F	74	Confident	67.7	Low	82 Å²	82	86 Å²	86	36%	0.36	45%	0.453	S	S	.	.	H	α-helix	trans	-53.5	-35.7	173	-180	-101.1	0	0	0	112	C8 I15 M26 V27	C8-F23 HydrophobicContact CB-CE2 3.78Å; C8-F23 HydrophobicContact CB-CZ 4Å; I15-F23 HydrophobicContact CD1-CD2 4.46Å; I15-F23 HydrophobicContact CD1-CE1 4.34Å; I15-F23 HydrophobicContact CD1-CE2 3.92Å; I15-F23 HydrophobicContact CD1-CZ 3.86Å; I15-F23 HydrophobicContact CG1-CD2 3.58Å; I15-F23 HydrophobicContact CG1-CE1 4.43Å; I15-F23 HydrophobicContact CG1-CE2 3.39Å; I15-F23 HydrophobicContact CG1-CG 4.19Å; I15-F23 HydrophobicContact CG1-CZ 3.86Å; F23-M26 HydrophobicContact CD2-CE 4.3Å; F23-M26 PolarHBondContact O-N 3.25Å; F23-V27 HydrophobicContact CD1-CG2 4.41Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 4.43Å; F23-V27 HydrophobicContact CZ-CG2 3.97Å; F23-V27 WeakPolarHBondContact O-CG2 3.47Å; F23-V27 PolarHBondContact O-N 3.39Å; F23-V27 VanDerWaalsContact O-N 3.12Å
24	E	73.7	Confident	68.2	Low	146 Å²	146	88.3 Å²	88.3	68%	0.682	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-43.2	175.8	-172	173.7	-179.8	0	0	112	S22 V27 T28	S22-E24 PolarHBondContact O-N 3.11Å; S22-E24 VanDerWaalsContact O-N 3.16Å; E24-V27 PolarHBondContact O-N 2.67Å; E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 PolarHBondContact O-N 2.69Å; E24-T28 PolarHBondContact O-OG1 3.39Å
25	D	74.7	Confident	68.6	Low	69 Å²	69	88.4 Å²	88.4	37%	0.369	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-39.4	176.7	-62.5	-52.4	0	0	0	111.9	L21 S22 V27 T28 N29	L21-D25 HydrophobicContact CB-CB 4.1Å; L21-D25 HydrophobicContact CD2-CB 3.66Å; L21-D25 HydrophobicContact CG-CB 4.47Å; S22-D25 WeakPolarHBondContact CB-OD2 3.42Å; S22-D25 PolarHBondContact N-OD2 2.77Å; S22-D25 PolarHBondContact O-N 3.41Å; S22-D25 PolarHBondContact OG-N 3.07Å; S22-D25 PolarHBondContact OG-OD2 3.06Å; D25-V27 PolarHBondContact O-N 3.17Å; D25-T28 PolarHBondContact O-N 3.4Å; D25-N29 WeakPolarHBondContact O-CB 3.38Å; D25-N29 PolarHBondContact O-N 3.24Å; D25-N29 PolarHBondContact O-ND2 3.14Å
26	M	76.1	Confident	69.6	Low	36 Å²	36	90.6 Å²	90.6	18%	0.177	48%	0.479	C	S	.	.	H	α-helix	trans	-61.6	-43.5	176.1	-75.1	-169.3	-76.5	0	0	112.1	S19 L21 S22 F23 W30	S19-M26 WeakPolarHBondContact OG-CE 3.4Å; L21-M26 HydrophobicContact CB-CG 4.01Å; S22-M26 PolarHBondContact O-N 2.96Å; F23-M26 HydrophobicContact CD2-CE 4.3Å; F23-M26 PolarHBondContact O-N 3.25Å; M26-W30 WeakPolarHBondContact O-CB 2.89Å; M26-W30 PolarHBondContact O-N 3.25Å; M26-W30 VanDerWaalsContact O-N 3.15Å
27	V	79.5	Confident	71.1	Confident	31 Å²	31	90.6 Å²	90.6	19%	0.188	46%	0.458	C	S	.	.	H	α-helix	trans	-67.5	-42.1	175.9	174.6	0	0	0	0	110.6	F23 E24 D25 W30 L31	F23-V27 HydrophobicContact CD1-CG2 4.41Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 4.43Å; F23-V27 HydrophobicContact CZ-CG2 3.97Å; F23-V27 WeakPolarHBondContact O-CG2 3.47Å; F23-V27 PolarHBondContact O-N 3.39Å; F23-V27 VanDerWaalsContact O-N 3.12Å; E24-V27 PolarHBondContact O-N 2.67Å; D25-V27 PolarHBondContact O-N 3.17Å; V27-W30 PolarHBondContact O-N 3.09Å; V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 HydrophobicContact CG1-CG 4.33Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 3.25Å
28	T	77.1	Confident	72.7	Confident	60 Å²	60	85.4 Å²	85.4	37%	0.368	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-47.6	179.9	-55.7	0	0	0	0	111.5	E24 D25 W30 L31 D32	E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 PolarHBondContact O-N 2.69Å; E24-T28 PolarHBondContact O-OG1 3.39Å; D25-T28 PolarHBondContact O-N 3.4Å; T28-W30 VanDerWaalsContact C-N 3.34Å; T28-W30 PolarHBondContact O-N 3.36Å; T28-L31 PolarHBondContact O-N 2.94Å; T28-D32 PolarHBondContact O-N 3.49Å
29	N	76.5	Confident	74	Confident	73 Å²	73	80.4 Å²	80.4	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.5	-71.3	-17	0	0	0	111.6	D25 L31 D32 E33	D25-N29 WeakPolarHBondContact O-CB 3.38Å; D25-N29 PolarHBondContact O-N 3.24Å; D25-N29 PolarHBondContact O-ND2 3.14Å; N29-L31 VanDerWaalsContact C-N 3.35Å; N29-L31 PolarHBondContact O-N 3.35Å; N29-D32 PolarHBondContact O-N 2.99Å; N29-E33 PolarHBondContact O-N 2.88Å
30	W	85.5	Confident	75.2	Confident	58 Å²	58	84 Å²	84	22%	0.22	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-38.9	177.4	-173.8	91.4	0	0	0	112.2	L10 C11 M26 V27 T28 D32 E33 N34 F37	L10-W30 HydrophobicContact CB-CE3 4.21Å; L10-W30 HydrophobicContact CB-CH2 4.41Å; L10-W30 HydrophobicContact CB-CZ3 4.15Å; L10-W30 HydrophobicContact CD2-CH2 4.14Å; L10-W30 HydrophobicContact CD2-CZ3 4.17Å; L10-W30 WeakPolarHBondContact O-CZ2 3.47Å; L10-W30 PolarHBondContact O-NE1 2.88Å; L10-W30 VanDerWaalsContact O-NE1 3.08Å; C11-W30 HydrophobicContact CB-CB 3.52Å; C11-W30 HydrophobicContact CB-CD2 4.4Å; C11-W30 HydrophobicContact CB-CG 3.61Å; M26-W30 WeakPolarHBondContact O-CB 2.89Å; M26-W30 PolarHBondContact O-N 3.25Å; M26-W30 VanDerWaalsContact O-N 3.15Å; V27-W30 PolarHBondContact O-N 3.09Å; T28-W30 VanDerWaalsContact C-N 3.34Å; T28-W30 PolarHBondContact O-N 3.36Å; W30-D32 VanDerWaalsContact C-N 3.33Å; W30-E33 PolarHBondContact O-N 3.43Å; W30-N34 HydrophobicContact CD2-CB 4.5Å; W30-N34 VanDerWaalsContact CE2-ND2 3.26Å; W30-N34 HydrophobicContact CE3-CB 4.37Å; W30-N34 HydrophobicContact CH2-CB 4.19Å; W30-N34 HydrophobicContact CZ2-CB 4.31Å; W30-N34 HydrophobicContact CZ3-CB 4.22Å; W30-N34 PolarHBondContact NE1-ND2 3.07Å; W30-N34 WeakPolarHBondContact O-CB 3.47Å; W30-N34 PolarHBondContact O-N 2.56Å; W30-N34 PolarHBondContact O-ND2 3.33Å; W30-F37 HydrophobicContact CH2-CB 4.34Å; W30-F37 AromaticContact CH2-CD1 3.78Å; W30-F37 HydrophobicContact CH2-CD1 3.78Å; W30-F37 HydrophobicContact CH2-CD2 4.21Å; W30-F37 HydrophobicContact CH2-CE1 4.11Å; W30-F37 HydrophobicContact CH2-CE2 4.5Å; W30-F37 AromaticContact CH2-CG 3.84Å; W30-F37 HydrophobicContact CH2-CG 3.84Å; W30-F37 HydrophobicContact CH2-CZ 4.45Å; W30-F37 AromaticContact CZ3-CD1 3.41Å; W30-F37 HydrophobicContact CZ3-CD1 3.41Å; W30-F37 VanDerWaalsContact CZ3-CD1 3.41Å; W30-F37 AromaticContact CZ3-CE1 3.64Å; W30-F37 HydrophobicContact CZ3-CE1 3.64Å; W30-F37 AromaticContact CZ3-CG 3.96Å; W30-F37 HydrophobicContact CZ3-CG 3.96Å; W30-F37 HydrophobicContact CZ3-CZ 4.35Å
31	L	81.7	Confident	76.2	Confident	35 Å²	35	81.9 Å²	81.9	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-64.8	-37	174.6	-71	172.3	0	0	0	111.9	V27 T28 N29 N34 F37 T38	V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 HydrophobicContact CG1-CG 4.33Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 3.25Å; T28-L31 PolarHBondContact O-N 2.94Å; N29-L31 VanDerWaalsContact C-N 3.35Å; N29-L31 PolarHBondContact O-N 3.35Å; L31-N34 CarbonylContact O-C 3.55Å; L31-N34 PolarHBondContact O-N 3.02Å; L31-F37 HydrophobicContact CD2-CD1 4Å; L31-F37 HydrophobicContact CD2-CE1 4Å; L31-T38 VanDerWaalsContact C-OG1 3.31Å; L31-T38 VanDerWaalsContact CA-OG1 3.27Å; L31-T38 WeakPolarHBondContact CA-OG1 3.37Å; L31-T38 HydrophobicContact CB-CG2 4.19Å; L31-T38 WeakPolarHBondContact CB-OG1 3.33Å; L31-T38 HydrophobicContact CD2-CG2 4.37Å; L31-T38 VanDerWaalsContact CD2-OG1 3.32Å; L31-T38 WeakPolarHBondContact CD2-OG1 3.5Å; L31-T38 PolarHBondContact O-OG1 3.14Å
32	D	74.5	Confident	77.3	Confident	117 Å²	117	81.2 Å²	81.2	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-67.3	-39.3	175.6	-76	-17.3	0	0	0	111.9	T28 N29 W30 N34	T28-D32 PolarHBondContact O-N 3.49Å; N29-D32 PolarHBondContact O-N 2.99Å; W30-D32 VanDerWaalsContact C-N 3.33Å; D32-N34 VanDerWaalsContact C-N 3.32Å
33	E	74.5	Confident	77.3	Confident	160 Å²	160	82.5 Å²	82.5	75%	0.748	40%	0.403	S	S	*	.	H	α-helix	trans	-75.1	-18.7	175.7	-70.1	-165.3	170.9	0	0	113.7	N29 W30 P35	N29-E33 PolarHBondContact O-N 2.88Å; W30-E33 PolarHBondContact O-N 3.43Å; E33-P35 WeakPolarHBondContact O-CD 3.42Å
34	N	81.4	Confident	77.5	Confident	57 Å²	57	87.5 Å²	87.5	31%	0.305	43%	0.425	S	S	.	.			trans	-115.9	60	179.7	-67.3	-88.9	0	0	0	112.4	W30 L31 D32 E36 F37 T38	W30-N34 HydrophobicContact CD2-CB 4.5Å; W30-N34 VanDerWaalsContact CE2-ND2 3.26Å; W30-N34 HydrophobicContact CE3-CB 4.37Å; W30-N34 HydrophobicContact CH2-CB 4.19Å; W30-N34 HydrophobicContact CZ2-CB 4.31Å; W30-N34 HydrophobicContact CZ3-CB 4.22Å; W30-N34 PolarHBondContact NE1-ND2 3.07Å; W30-N34 WeakPolarHBondContact O-CB 3.47Å; W30-N34 PolarHBondContact O-N 2.56Å; W30-N34 PolarHBondContact O-ND2 3.33Å; L31-N34 CarbonylContact O-C 3.55Å; L31-N34 PolarHBondContact O-N 3.02Å; D32-N34 VanDerWaalsContact C-N 3.32Å; N34-E36 VanDerWaalsContact C-N 3.26Å; N34-E36 PolarHBondContact O-N 3.34Å; N34-E36 VanDerWaalsContact O-N 3.14Å; N34-F37 HydrophobicContact CB-CB 4.18Å; N34-F37 PolarHBondContact O-N 3.3Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 3.41Å; N34-T38 VanDerWaalsContact O-OG1 3.09Å
35	P	73.5	Confident	77.9	Confident	77 Å²	77	83.8 Å²	83.8	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-30.7	-170.2	25.1	-35.3	0	0	0	113.7	E33 F39	E33-P35 WeakPolarHBondContact O-CD 3.42Å; P35-F39 VanDerWaalsContact O-CB 3.26Å; P35-F39 WeakPolarHBondContact O-CB 3.03Å; P35-F39 PolarHBondContact O-N 2.8Å
36	E	75.1	Confident	77.9	Confident	136 Å²	136	81.3 Å²	81.3	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-64.2	-46.1	174.9	-91.5	-116.2	174.7	0	0	112.7	N34 K40	N34-E36 VanDerWaalsContact C-N 3.26Å; N34-E36 PolarHBondContact O-N 3.34Å; N34-E36 VanDerWaalsContact O-N 3.14Å; E36-K40 WeakPolarHBondContact O-CB 3.41Å; E36-K40 WeakPolarHBondContact O-CG 3.34Å; E36-K40 PolarHBondContact O-N 2.74Å; E36-K40 VanDerWaalsContact O-N 3.11Å; E36-K40 IonicContact OE2-NZ 2.83Å; E36-K40 PolarHBondContact OE2-NZ 3.32Å
37	F	85.9	Confident	77.9	Confident	76 Å²	76	82.4 Å²	82.4	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-49.1	175.5	173.6	-86.4	0	0	0	109.9	L10 W30 L31 N34 F39 K40 Y41	L10-F37 HydrophobicContact CD2-CE1 4.03Å; L10-F37 HydrophobicContact CD2-CE2 4.1Å; L10-F37 HydrophobicContact CD2-CZ 3.48Å; L10-F37 VanDerWaalsContact CD2-CZ 3.48Å; W30-F37 HydrophobicContact CH2-CB 4.34Å; W30-F37 AromaticContact CH2-CD1 3.78Å; W30-F37 HydrophobicContact CH2-CD1 3.78Å; W30-F37 HydrophobicContact CH2-CD2 4.21Å; W30-F37 HydrophobicContact CH2-CE1 4.11Å; W30-F37 HydrophobicContact CH2-CE2 4.5Å; W30-F37 AromaticContact CH2-CG 3.84Å; W30-F37 HydrophobicContact CH2-CG 3.84Å; W30-F37 HydrophobicContact CH2-CZ 4.45Å; W30-F37 AromaticContact CZ3-CD1 3.41Å; W30-F37 HydrophobicContact CZ3-CD1 3.41Å; W30-F37 VanDerWaalsContact CZ3-CD1 3.41Å; W30-F37 AromaticContact CZ3-CE1 3.64Å; W30-F37 HydrophobicContact CZ3-CE1 3.64Å; W30-F37 AromaticContact CZ3-CG 3.96Å; W30-F37 HydrophobicContact CZ3-CG 3.96Å; W30-F37 HydrophobicContact CZ3-CZ 4.35Å; L31-F37 HydrophobicContact CD2-CD1 4Å; L31-F37 HydrophobicContact CD2-CE1 4Å; N34-F37 HydrophobicContact CB-CB 4.18Å; N34-F37 PolarHBondContact O-N 3.3Å; F37-F39 VanDerWaalsContact C-N 3.33Å; F37-F39 PolarHBondContact O-N 2.94Å; F37-K40 PolarHBondContact O-N 2.82Å; F37-Y41 HydrophobicContact CE1-CG 4.38Å; F37-Y41 HydrophobicContact CZ-CD2 4.39Å; F37-Y41 WeakPolarHBondContact O-CB 3.4Å; F37-Y41 PolarHBondContact O-N 3.5Å
38	T	79.7	Confident	77.3	Confident	17 Å²	17	86.2 Å²	86.2	10%	0.104	44%	0.441	C	S	.	.	H	α-helix	trans	-57.4	-45.9	-178.2	-60.6	0	0	0	0	111.3	L31 N34 Y41 F42	L31-T38 VanDerWaalsContact C-OG1 3.31Å; L31-T38 VanDerWaalsContact CA-OG1 3.27Å; L31-T38 WeakPolarHBondContact CA-OG1 3.37Å; L31-T38 HydrophobicContact CB-CG2 4.19Å; L31-T38 WeakPolarHBondContact CB-OG1 3.33Å; L31-T38 HydrophobicContact CD2-CG2 4.37Å; L31-T38 VanDerWaalsContact CD2-OG1 3.32Å; L31-T38 WeakPolarHBondContact CD2-OG1 3.5Å; L31-T38 PolarHBondContact O-OG1 3.14Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 3.41Å; N34-T38 VanDerWaalsContact O-OG1 3.09Å; T38-Y41 PolarHBondContact O-N 2.63Å; T38-F42 HydrophobicContact CG2-CD2 3.59Å; T38-F42 HydrophobicContact CG2-CE2 3.39Å; T38-F42 WeakPolarHBondContact O-CB 3.37Å; T38-F42 WeakPolarHBondContact O-CD2 3.5Å; T38-F42 PolarHBondContact O-N 3.3Å
39	F	74	Confident	77	Confident	102 Å²	102	87.2 Å²	87.2	45%	0.447	45%	0.45	S	S	.	.	H	α-helix	trans	-62.1	-49.8	175	-179.2	-111.1	0	0	0	112.3	P35 F37 Y41 F42 V43 W54	P35-F39 VanDerWaalsContact O-CB 3.26Å; P35-F39 WeakPolarHBondContact O-CB 3.03Å; P35-F39 PolarHBondContact O-N 2.8Å; F37-F39 VanDerWaalsContact C-N 3.33Å; F37-F39 PolarHBondContact O-N 2.94Å; F39-Y41 VanDerWaalsContact C-N 3.29Å; F39-Y41 PolarHBondContact O-N 2.96Å; F39-F42 PolarHBondContact O-N 3.31Å; F39-V43 HydrophobicContact CD1-CG2 4.38Å; F39-V43 HydrophobicContact CD2-CG2 4.06Å; F39-V43 HydrophobicContact CE1-CG2 4.02Å; F39-V43 HydrophobicContact CE2-CG2 3.66Å; F39-V43 HydrophobicContact CG-CG2 4.42Å; F39-V43 HydrophobicContact CZ-CG2 3.66Å; F39-V43 WeakPolarHBondContact O-CB 3.38Å; F39-V43 VanDerWaalsContact O-CG2 3.28Å; F39-V43 WeakPolarHBondContact O-CG2 3.43Å; F39-V43 PolarHBondContact O-N 3.1Å; F39-W54 HydrophobicContact CD2-CE3 4.43Å; F39-W54 AromaticContact CD2-CH2 3.38Å; F39-W54 HydrophobicContact CD2-CH2 3.38Å; F39-W54 HydrophobicContact CD2-CZ2 4.49Å; F39-W54 AromaticContact CD2-CZ3 3.37Å; F39-W54 HydrophobicContact CD2-CZ3 3.37Å; F39-W54 HydrophobicContact CE2-CE3 4.42Å; F39-W54 AromaticContact CE2-CH2 3.94Å; F39-W54 HydrophobicContact CE2-CH2 3.94Å; F39-W54 AromaticContact CE2-CZ3 3.44Å; F39-W54 HydrophobicContact CE2-CZ3 3.44Å; F39-W54 VanDerWaalsContact CE2-CZ3 3.44Å; F39-W54 HydrophobicContact CG-CH2 4.4Å
40	K	77	Confident	76.5	Confident	132 Å²	132	88 Å²	88	57%	0.574	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-39.7	177.8	-77	170.4	178.8	150.9	0	112	E36 F37 K44	E36-K40 WeakPolarHBondContact O-CB 3.41Å; E36-K40 WeakPolarHBondContact O-CG 3.34Å; E36-K40 PolarHBondContact O-N 2.74Å; E36-K40 VanDerWaalsContact O-N 3.11Å; E36-K40 IonicContact OE2-NZ 2.83Å; E36-K40 PolarHBondContact OE2-NZ 3.32Å; F37-K40 PolarHBondContact O-N 2.82Å; K40-K44 WeakPolarHBondContact O-CB 3.33Å; K40-K44 PolarHBondContact O-N 3.48Å; K40-K44 VanDerWaalsContact O-N 3.15Å
41	Y	79.9	Confident	75.4	Confident	121 Å²	121	87.2 Å²	87.2	48%	0.475	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-47.9	178.5	-178.9	-96.5	0	0	0	111.8	F37 T38 F39 K44 S45	F37-Y41 HydrophobicContact CE1-CG 4.38Å; F37-Y41 HydrophobicContact CZ-CD2 4.39Å; F37-Y41 WeakPolarHBondContact O-CB 3.4Å; F37-Y41 PolarHBondContact O-N 3.5Å; T38-Y41 PolarHBondContact O-N 2.63Å; F39-Y41 VanDerWaalsContact C-N 3.29Å; F39-Y41 PolarHBondContact O-N 2.96Å; Y41-K44 PolarHBondContact O-N 3.13Å; Y41-S45 VanDerWaalsContact O-CB 3.29Å; Y41-S45 WeakPolarHBondContact O-CB 3.21Å; Y41-S45 PolarHBondContact O-N 2.96Å; Y41-S45 PolarHBondContact O-OG 2.97Å
42	F	76.7	Confident	74.6	Confident	67 Å²	67	91.6 Å²	91.6	29%	0.294	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-43.8	177.2	-78.9	-56.6	0	0	0	111.6	T38 F39 K44 S45 A46 M50	T38-F42 HydrophobicContact CG2-CD2 3.59Å; T38-F42 HydrophobicContact CG2-CE2 3.39Å; T38-F42 WeakPolarHBondContact O-CB 3.37Å; T38-F42 WeakPolarHBondContact O-CD2 3.5Å; T38-F42 PolarHBondContact O-N 3.3Å; F39-F42 PolarHBondContact O-N 3.31Å; F42-K44 PolarHBondContact O-N 3.05Å; F42-S45 PolarHBondContact O-N 3.07Å; F42-A46 HydrophobicContact CB-CB 4.42Å; F42-A46 HydrophobicContact CD1-CB 4.35Å; F42-A46 WeakPolarHBondContact O-CA 3.36Å; F42-A46 WeakPolarHBondContact O-CB 3.39Å; F42-A46 PolarHBondContact O-N 3.5Å; F42-M50 HydrophobicContact CD1-CE 3.5Å; F42-M50 HydrophobicContact CE1-CE 3.68Å
43	V	73	Confident	74.1	Confident	80 Å²	80	89.1 Å²	89.1	49%	0.485	47%	0.469	S	S	.	.	H	α-helix	trans	-58.1	-35.6	175.7	170.4	0	0	0	0	111.9	F39	F39-V43 HydrophobicContact CD1-CG2 4.38Å; F39-V43 HydrophobicContact CD2-CG2 4.06Å; F39-V43 HydrophobicContact CE1-CG2 4.02Å; F39-V43 HydrophobicContact CE2-CG2 3.66Å; F39-V43 HydrophobicContact CG-CG2 4.42Å; F39-V43 HydrophobicContact CZ-CG2 3.66Å; F39-V43 WeakPolarHBondContact O-CB 3.38Å; F39-V43 VanDerWaalsContact O-CG2 3.28Å; F39-V43 WeakPolarHBondContact O-CG2 3.43Å; F39-V43 PolarHBondContact O-N 3.1Å
44	K	78.5	Confident	73.3	Confident	187 Å²	187	86 Å²	86	81%	0.813	45%	0.451	S	S	*	.	H	α-helix	trans	-81.1	-34.9	-179.4	-172	179	177.1	-175.3	0	113.8	K40 Y41 F42	K40-K44 WeakPolarHBondContact O-CB 3.33Å; K40-K44 PolarHBondContact O-N 3.48Å; K40-K44 VanDerWaalsContact O-N 3.15Å; Y41-K44 PolarHBondContact O-N 3.13Å; F42-K44 PolarHBondContact O-N 3.05Å
45	S	80.4	Confident	71.9	Confident	68 Å²	68	85.1 Å²	85.1	48%	0.476	45%	0.451	S	S	.	.	H	α-helix	trans	-114.8	-21.1	-165.2	-44	0	0	0	0	114	Y41 F42	Y41-S45 VanDerWaalsContact O-CB 3.29Å; Y41-S45 WeakPolarHBondContact O-CB 3.21Å; Y41-S45 PolarHBondContact O-N 2.96Å; Y41-S45 PolarHBondContact O-OG 2.97Å; F42-S45 PolarHBondContact O-N 3.07Å
46	A	76	Confident	70.9	Confident	18 Å²	18	85 Å²	85	15%	0.149	45%	0.446	C	S	.	.	S	Bend	trans	-75.3	150.6	179.6	0	0	0	0	0	111.3	F42 M50 V51	F42-A46 HydrophobicContact CB-CB 4.42Å; F42-A46 HydrophobicContact CD1-CB 4.35Å; F42-A46 WeakPolarHBondContact O-CA 3.36Å; F42-A46 WeakPolarHBondContact O-CB 3.39Å; F42-A46 PolarHBondContact O-N 3.5Å; A46-M50 HydrophobicContact CB-CB 4.21Å; A46-M50 HydrophobicContact CB-CE 3.21Å; A46-M50 HydrophobicContact CB-CG 4.37Å; A46-M50 HydrophobicContact CB-SD 4.43Å; A46-V51 HydrophobicContact CB-CG2 3.64Å
47	S	75.9	Confident	69.6	Low	59 Å²	59	81.5 Å²	81.5	41%	0.413	45%	0.447	S	S	.	.			trans	-64.2	150.4	168	66.7	0	0	0	0	110.2	S49 M50 V51	S47-S49 PolarHBondContact O-N 3Å; S47-S49 VanDerWaalsContact O-N 3.12Å; S47-S49 PolarHBondContact OG-OG 3.32Å; S47-S49 VanDerWaalsContact OG-OG 3.05Å; S47-M50 WeakPolarHBondContact O-CB 3.23Å; S47-M50 PolarHBondContact O-N 3.36Å; S47-M50 PolarHBondContact OG-N 3.05Å; S47-V51 PolarHBondContact O-N 3.46Å; S47-V51 VanDerWaalsContact O-N 3.1Å
48	P	67.5	Low	67.3	Low	111 Å²	111	86.1 Å²	86.1	72%	0.721	46%	0.462	S	S	*	.	H	α-helix	trans	-52.1	-36.8	177.3	-28.7	35.2	0	0	0	113.5	M50 V51 E52	P48-M50 VanDerWaalsContact C-N 3.35Å; P48-M50 PolarHBondContact O-N 3.27Å; P48-V51 PolarHBondContact O-N 3.14Å; P48-E52 WeakPolarHBondContact O-CB 3.44Å; P48-E52 PolarHBondContact O-N 3.43Å
49	S	69.2	Low	65	Low	80 Å²	80	91.7 Å²	91.7	56%	0.559	49%	0.491	S	S	*	.	H	α-helix	trans	-66.1	-34.6	177.1	62.9	0	0	0	0	113.4	S47 A53	S47-S49 PolarHBondContact O-N 3Å; S47-S49 VanDerWaalsContact O-N 3.12Å; S47-S49 PolarHBondContact OG-OG 3.32Å; S47-S49 VanDerWaalsContact OG-OG 3.05Å; S49-A53 VanDerWaalsContact O-CB 3.32Å; S49-A53 WeakPolarHBondContact O-CB 2.97Å; S49-A53 PolarHBondContact O-N 3.36Å
50	M	67.5	Low	62.9	Low	90 Å²	90	93.5 Å²	93.5	44%	0.443	50%	0.501	S	S	.	.	H	α-helix	trans	-74	-39.5	178.2	-172.8	169.8	95.3	0	0	110.9	F42 A46 S47 P48 W54	F42-M50 HydrophobicContact CD1-CE 3.5Å; F42-M50 HydrophobicContact CE1-CE 3.68Å; A46-M50 HydrophobicContact CB-CB 4.21Å; A46-M50 HydrophobicContact CB-CE 3.21Å; A46-M50 HydrophobicContact CB-CG 4.37Å; A46-M50 HydrophobicContact CB-SD 4.43Å; S47-M50 WeakPolarHBondContact O-CB 3.23Å; S47-M50 PolarHBondContact O-N 3.36Å; S47-M50 PolarHBondContact OG-N 3.05Å; P48-M50 VanDerWaalsContact C-N 3.35Å; P48-M50 PolarHBondContact O-N 3.27Å; M50-W54 VanDerWaalsContact O-CB 3.28Å; M50-W54 WeakPolarHBondContact O-CB 3.16Å; M50-W54 PolarHBondContact O-N 3.16Å
51	V	62.7	Low	60.6	Low	42 Å²	42	90.1 Å²	90.1	26%	0.255	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.2	-177.7	0	0	0	0	110.8	A46 S47 P48 W54 A55	A46-V51 HydrophobicContact CB-CG2 3.64Å; S47-V51 PolarHBondContact O-N 3.46Å; S47-V51 VanDerWaalsContact O-N 3.1Å; P48-V51 PolarHBondContact O-N 3.14Å; V51-W54 PolarHBondContact O-N 2.87Å; V51-A55 VanDerWaalsContact O-CB 3.24Å; V51-A55 WeakPolarHBondContact O-CB 3.38Å; V51-A55 PolarHBondContact O-N 3.22Å
52	E	63.8	Low	57.9	Low	127 Å²	127	92.5 Å²	92.5	59%	0.593	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-44.9	178.2	-170.6	173.4	-166	0	0	111.7	P48 W54 A55 N56	P48-E52 WeakPolarHBondContact O-CB 3.44Å; P48-E52 PolarHBondContact O-N 3.43Å; E52-W54 PolarHBondContact O-N 3.38Å; E52-A55 PolarHBondContact O-N 3.22Å; E52-N56 VanDerWaalsContact O-CB 3.29Å; E52-N56 WeakPolarHBondContact O-CB 3.42Å; E52-N56 PolarHBondContact O-N 2.83Å; E52-N56 PolarHBondContact O-ND2 2.98Å; E52-N56 VanDerWaalsContact O-ND2 3.14Å
53	A	63.4	Low	55.5	Low	64 Å²	64	98.9 Å²	98.9	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-42.1	175.2	0	0	0	0	0	112.4	S49 G57	S49-A53 VanDerWaalsContact O-CB 3.32Å; S49-A53 WeakPolarHBondContact O-CB 2.97Å; S49-A53 PolarHBondContact O-N 3.36Å; A53-G57 PolarHBondContact O-N 3.48Å
54	W	58.4	Low	53.2	Low	95 Å²	95	101.9 Å²	101.9	36%	0.36	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-42.6	177.9	-175.8	84.1	0	0	0	112.6	F39 M50 V51 E52 G57 R58	F39-W54 HydrophobicContact CD2-CE3 4.43Å; F39-W54 AromaticContact CD2-CH2 3.38Å; F39-W54 HydrophobicContact CD2-CH2 3.38Å; F39-W54 HydrophobicContact CD2-CZ2 4.49Å; F39-W54 AromaticContact CD2-CZ3 3.37Å; F39-W54 HydrophobicContact CD2-CZ3 3.37Å; F39-W54 HydrophobicContact CE2-CE3 4.42Å; F39-W54 AromaticContact CE2-CH2 3.94Å; F39-W54 HydrophobicContact CE2-CH2 3.94Å; F39-W54 AromaticContact CE2-CZ3 3.44Å; F39-W54 HydrophobicContact CE2-CZ3 3.44Å; F39-W54 VanDerWaalsContact CE2-CZ3 3.44Å; F39-W54 HydrophobicContact CG-CH2 4.4Å; M50-W54 VanDerWaalsContact O-CB 3.28Å; M50-W54 WeakPolarHBondContact O-CB 3.16Å; M50-W54 PolarHBondContact O-N 3.16Å; V51-W54 PolarHBondContact O-N 2.87Å; E52-W54 PolarHBondContact O-N 3.38Å; W54-G57 PolarHBondContact O-N 3.02Å; W54-R58 PolarHBondContact O-N 3.42Å
55	A	52.5	Low	50.6	Low	39 Å²	39	98 Å²	98	32%	0.322	55%	0.55	S	S	.	*	H	α-helix	trans	-64	-42.1	176.1	0	0	0	0	0	111.6	V51 E52 G57 R58 N59	V51-A55 VanDerWaalsContact O-CB 3.24Å; V51-A55 WeakPolarHBondContact O-CB 3.38Å; V51-A55 PolarHBondContact O-N 3.22Å; E52-A55 PolarHBondContact O-N 3.22Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 2.74Å; A55-R58 PolarHBondContact O-N 2.78Å; A55-N59 PolarHBondContact O-N 3.43Å
56	N	52.1	Low	47.9	Very low	74 Å²	74	101.8 Å²	101.8	40%	0.396	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-36.4	174.3	-68.6	-20.8	0	0	0	111.3	E52 R58 N59 H60	E52-N56 VanDerWaalsContact O-CB 3.29Å; E52-N56 WeakPolarHBondContact O-CB 3.42Å; E52-N56 PolarHBondContact O-N 2.83Å; E52-N56 PolarHBondContact O-ND2 2.98Å; E52-N56 VanDerWaalsContact O-ND2 3.14Å; N56-R58 PolarHBondContact O-N 3.01Å; N56-N59 PolarHBondContact O-N 3.46Å; N56-H60 PolarHBondContact O-CD2 2.85Å; N56-H60 PolarHBondContact O-N 2.98Å
57	G	47	Very low	45.6	Very low	62 Å²	62	109.3 Å²	109.3	64%	0.639	59%	0.594	S	S	*	*	H	α-helix	trans	-60.2	-25.2	174.9	0	0	0	0	0	115	A53 W54 A55	A53-G57 PolarHBondContact O-N 3.48Å; W54-G57 PolarHBondContact O-N 3.02Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 2.74Å
58	R	37.9	Very low	43.1	Very low	174 Å²	174	112 Å²	112	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-88.5	-27.5	175.5	-77.1	-167.4	-178.1	-144.2	-0.7	114.2	W54 A55 N56	W54-R58 PolarHBondContact O-N 3.42Å; A55-R58 PolarHBondContact O-N 2.78Å; N56-R58 PolarHBondContact O-N 3.01Å
59	N	31.5	Very low	41.3	Very low	133 Å²	133	112.6 Å²	112.6	71%	0.711	60%	0.602	S	S	*	*	H	α-helix	trans	-84.5	-12.5	-176	-81.2	-10.5	0	0	0	113.9	A55 N56 G61	A55-N59 PolarHBondContact O-N 3.43Å; N56-N59 PolarHBondContact O-N 3.46Å; N59-G61 VanDerWaalsContact C-N 3.32Å; N59-G61 PolarHBondContact O-N 3.42Å
60	H	29.6	Very low	39.1	Very low	141 Å²	141	111.9 Å²	111.9	65%	0.653	60%	0.596	S	S	*	*			trans	-92.5	63.6	175.6	-68.7	-66.6	0	0	0	111.8	N56	N56-H60 PolarHBondContact O-CD2 2.85Å; N56-H60 PolarHBondContact O-N 2.98Å
61	G	28.7	Very low	37.1	Very low	61 Å²	61	113.3 Å²	113.3	63%	0.629	60%	0.604	S	S	*	*			trans	-78.6	123.5	142	0	0	0	0	0	106.5	N59	N59-G61 VanDerWaalsContact C-N 3.32Å; N59-G61 PolarHBondContact O-N 3.42Å
62	E	24	Very low	35.1	Very low	170 Å²	170	115.3 Å²	115.3	79%	0.794	62%	0.617	S	S	*	*	S	Bend	trans	85.4	116.3	177.7	-51.1	-176.5	156.9	0	0	116.3
63	Y	26.6	Very low	33.2	Very low	202 Å²	202	115.4 Å²	115.4	79%	0.792	63%	0.626	S	S	*	*			trans	55.7	99.7	162.4	-55.2	-78.9	0	0	0	119.2
64	D	24	Very low	31.2	Very low	142 Å²	142	119.5 Å²	119.5	76%	0.759	64%	0.636	S	S	*	*				-160.3	97	116	-138.9	-9.9	0	0	0	110.7	L66	D64-L66 VanDerWaalsContact C-N 3.26Å; D64-L66 PolarHBondContact O-N 3.29Å
65	C	23.4	Very low	29.5	Very low	105 Å²	105	122.1 Å²	122.1	71%	0.709	66%	0.657	S	S	*	*			trans	-77.1	74.1	175.7	-62.7	0	0	0	0	109.9	F67	C65-F67 VanDerWaalsContact C-N 3.26Å
66	L	24.6	Very low	28.3	Very low	149 Å²	149	129 Å²	129	78%	0.78	68%	0.682	S	S	*	*			trans	-85.4	-2.5	161.3	-76	171.4	0	0	0	112.7	D64	D64-L66 VanDerWaalsContact C-N 3.26Å; D64-L66 PolarHBondContact O-N 3.29Å
67	F	26.9	Very low	27	Very low	175 Å²	175	134.2 Å²	134.2	77%	0.768	70%	0.704	S	S	*	*			trans	-109.7	56.3	165.9	-75	-84	0	0	0	110.4	C65 N69	C65-F67 VanDerWaalsContact C-N 3.26Å; F67-N69 PolarHBondContact O-N 3.2Å
68	D	23.5	Very low	26	Very low	117 Å²	117	139 Å²	139	63%	0.626	72%	0.715	S	S	*	*			trans	-76	69	153.9	-155.4	-11.2	0	0	0	107.5	S70	D68-S70 PolarHBondContact O-N 2.64Å; D68-S70 WeakPolarHBondContact OD1-CB 3.26Å; D68-S70 PolarHBondContact OD1-N 3.4Å; D68-S70 VanDerWaalsContact OD1-N 3.13Å; D68-S70 PolarHBondContact OD1-OG 2.89Å
69	N	30	Very low	25.4	Very low	123 Å²	123	137.8 Å²	137.8	66%	0.658	72%	0.722	S	S	*	*			trans	-76.6	66	150.9	-89.2	-5.8	0	0	0	106.6	F67 I71	F67-N69 PolarHBondContact O-N 3.2Å; N69-I71 HydrophobicContact CB-CG1 4.32Å; N69-I71 PolarHBondContact O-N 3.42Å
70	S	23	Very low	25	Very low	64 Å²	64	140 Å²	140	45%	0.448	73%	0.725	S	S	.	*				-59	66.6	129.6	40.3	0	0	0	0	108.3	D68 T72	D68-S70 PolarHBondContact O-N 2.64Å; D68-S70 WeakPolarHBondContact OD1-CB 3.26Å; D68-S70 PolarHBondContact OD1-N 3.4Å; D68-S70 VanDerWaalsContact OD1-N 3.13Å; D68-S70 PolarHBondContact OD1-OG 2.89Å; S70-T72 PolarHBondContact O-N 2.98Å
71	I	25.2	Very low	24.8	Very low	120 Å²	120	140.3 Å²	140.3	62%	0.615	73%	0.731	S	S	*	*			trans	-70.4	71.3	131.5	-56.5	174.9	0	0	0	103.2	N69 V73	N69-I71 HydrophobicContact CB-CG1 4.32Å; N69-I71 PolarHBondContact O-N 3.42Å; I71-V73 VanDerWaalsContact C-N 3.31Å; I71-V73 PolarHBondContact O-N 3.1Å; I71-V73 VanDerWaalsContact O-N 3.12Å
72	T	21.6	Very low	24.9	Very low	84 Å²	84	145.1 Å²	145.1	52%	0.515	74%	0.743	S	S	.	*			trans	-48.7	117.2	137.1	33.1	0	0	0	0	103.1	S70 M74	S70-T72 PolarHBondContact O-N 2.98Å; T72-M74 PolarHBondContact O-N 3.4Å
73	V	23.9	Very low	25	Very low	129 Å²	129	144.8 Å²	144.8	78%	0.782	75%	0.746	S	S	*	*			trans	-53.4	92	153.7	177.5	0	0	0	0	102.8	I71 D75	I71-V73 VanDerWaalsContact C-N 3.31Å; I71-V73 PolarHBondContact O-N 3.1Å; I71-V73 VanDerWaalsContact O-N 3.12Å; V73-D75 PolarHBondContact O-N 2.89Å
74	M	22	Very low	25.1	Very low	151 Å²	151	144.5 Å²	144.5	74%	0.744	75%	0.749	S	S	*	*			trans	-65.9	113.7	178.2	-71	-170.1	-175.9	0	0	102.9	T72 E76	T72-M74 PolarHBondContact O-N 3.4Å; M74-E76 PolarHBondContact O-N 3.39Å
75	D	22.3	Very low	25.1	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	75%	0.748	S	S	*	*			trans	-38.3	113.9	171.2	-76.4	-43.3	0	0	0	107.9	V73 H77	V73-D75 PolarHBondContact O-N 2.89Å; D75-H77 PolarHBondContact O-N 3.29Å
76	E	26.4	Very low	25.3	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	75%	0.754	S	S	*	*			trans	-54.1	121.5	164.6	-79.3	-172.6	154.6	0	0	105.8	M74 N78	M74-E76 PolarHBondContact O-N 3.39Å; E76-N78 PolarHBondContact O-N 2.85Å
77	H	25.4	Very low	25.2	Very low	184 Å²	184	143.6 Å²	143.6	85%	0.852	75%	0.754	S	S	*	*			trans	-36.5	113.7	-172.5	-77.8	-77.1	0	0	0	111.5	D75 D79	D75-H77 PolarHBondContact O-N 3.29Å; H77-D79 PolarHBondContact O-N 3.18Å
78	N	24.8	Very low	25.1	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	76%	0.757	S	S	*	*			trans	-68.5	81.1	171.5	-149.4	1.6	0	0	0	107.2	E76 K80	E76-N78 PolarHBondContact O-N 2.85Å; N78-K80 PolarHBondContact O-N 3.47Å
79	D	26.5	Very low	25.4	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	77%	0.766	S	S	*	*			trans	-66.8	129.7	171.5	-131.8	-14.7	0	0	0	107.7	H77	H77-D79 PolarHBondContact O-N 3.18Å
80	K	23.7	Very low	25.5	Very low	180 Å²	180	141.5 Å²	141.5	78%	0.783	77%	0.769	S	S	*	*	S	Bend	trans	-65.9	139.3	-169.6	-66.8	171.8	176.5	173.5	0	110.4	N78	N78-K80 PolarHBondContact O-N 3.47Å
81	N	25.5	Very low	25.8	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	79%	0.794	S	S	*	*			trans	78.3	101.2	165.9	-50.7	-29.9	0	0	0	116
82	D	29.2	Very low	25.8	Very low	162 Å²	162	146 Å²	146	87%	0.866	80%	0.796	S	S	*	*				-172.1	131.4	112.5	-99.7	-20.5	0	0	0	111.3	K84	D82-K84 PolarHBondContact O-N 3.27Å
83	D	27	Very low	26	Very low	162 Å²	162	149.8 Å²	149.8	87%	0.866	81%	0.812	S	S	*	*			trans	-54.8	112	170.4	-86.8	-43.9	0	0	0	111
84	K	28.6	Very low	26.1	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	81%	0.808	S	S	*	*			trans	-165.5	118.9	152.5	-101.8	152.6	-161.7	-179	0	111.2	D82	D82-K84 PolarHBondContact O-N 3.27Å
85	T	24.6	Very low	26.4	Very low	119 Å²	119	148 Å²	148	73%	0.73	81%	0.805	S	S	*	*			trans	8.9	134.7	161.1	51	0	0	0	0	119.8	V87	T85-V87 PolarHBondContact O-N 3.4Å; T85-V87 VanDerWaalsContact O-N 3.11Å
86	P	25.9	Very low	26.9	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	80%	0.799	S	S	*	*			trans	-68.7	109.9	-169.2	28.9	-33.6	0	0	0	112	T88	P86-T88 PolarHBondContact O-N 3.37Å
87	V	23.8	Very low	27.4	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	79%	0.79	S	S	*	*			trans	-75.9	115.7	162.6	178.1	0	0	0	0	107	T85 T89	T85-V87 PolarHBondContact O-N 3.4Å; T85-V87 VanDerWaalsContact O-N 3.11Å; V87-T89 PolarHBondContact O-N 3.47Å; V87-T89 VanDerWaalsContact O-N 3.09Å
88	T	24	Very low	28.1	Very low	135 Å²	135	143.1 Å²	143.1	83%	0.828	77%	0.77	S	S	*	*			trans	-59.9	105.2	-179.2	48.9	0	0	0	0	111	P86	P86-T88 PolarHBondContact O-N 3.37Å
89	T	31	Very low	29.1	Very low	133 Å²	133	137.5 Å²	137.5	82%	0.816	74%	0.743	S	S	*	*			trans	-78.5	120.8	172.6	40.7	0	0	0	0	110.9	V87	V87-T89 PolarHBondContact O-N 3.47Å; V87-T89 VanDerWaalsContact O-N 3.09Å
90	S	30.9	Very low	30.2	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	72%	0.72	S	S	*	*			trans	-7.3	115.2	166.5	55	0	0	0	0	120.6	S92	S90-S92 PolarHBondContact O-N 2.9Å; S90-S92 VanDerWaalsContact O-N 3.17Å
91	L	29.8	Very low	31.2	Very low	184 Å²	184	129.3 Å²	129.3	96%	0.963	71%	0.708	S	S	*	*	S	Bend		26.3	68.4	116.8	-68.7	162.1	0	0	0	119.4
92	S	26.1	Very low	32.1	Very low	95 Å²	95	125.4 Å²	125.4	66%	0.664	69%	0.687	S	S	*	*				-142.7	126.3	104.6	60.9	0	0	0	0	103.5	S90 P94	S90-S92 PolarHBondContact O-N 2.9Å; S90-S92 VanDerWaalsContact O-N 3.17Å; S92-P94 WeakPolarHBondContact O-CD 3.47Å
93	L	24.6	Very low	32.9	Very low	163 Å²	163	120 Å²	120	85%	0.853	66%	0.658	S	S	*	*			trans	-47.8	115.6	169.9	-77	162.5	0	0	0	104.8	I95	L93-I95 PolarHBondContact O-N 3.5Å
94	P	25.6	Very low	33.6	Very low	109 Å²	109	116.7 Å²	116.7	71%	0.708	64%	0.637	S	S	*	*			trans	-56.9	113.7	164	18.8	-17.7	0	0	0	101.1	S92 R96	S92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-R96 PolarHBondContact O-N 2.68Å
95	I	29.9	Very low	34.2	Very low	132 Å²	132	112.4 Å²	112.4	68%	0.677	62%	0.623	S	S	*	*			trans	-59.4	90.2	160.2	-61.8	172.6	0	0	0	100.6	L93 K97	L93-I95 PolarHBondContact O-N 3.5Å; I95-K97 PolarHBondContact O-N 3.46Å
96	R	31.4	Very low	34.7	Very low	176 Å²	176	110 Å²	110	66%	0.664	61%	0.608	S	S	*	*			trans	-59.3	102	168.1	178	-177.9	174.8	161.6	1.1	100.5	P94 I98 D102	P94-R96 PolarHBondContact O-N 2.68Å; R96-I98 PolarHBondContact O-N 3.06Å; R96-D102 IonicContact CZ-OD2 3.6Å; R96-D102 IonicContact NE-OD2 3.49Å; R96-D102 PolarHBondContact NE-OD2 3.08Å; R96-D102 IonicContact NH2-OD1 2.79Å; R96-D102 PolarHBondContact NH2-OD1 2.77Å; R96-D102 IonicContact NH2-OD2 2.83Å; R96-D102 PolarHBondContact NH2-OD2 2.69Å
97	K	37	Very low	35.3	Very low	153 Å²	153	113.1 Å²	113.1	67%	0.665	61%	0.605	S	S	*	*			trans	-53.2	104.8	163.6	-73.7	-178	176.7	-179	0	102.6	I95 S99	I95-K97 PolarHBondContact O-N 3.46Å; K97-S99 PolarHBondContact O-N 3.02Å
98	I	41	Very low	35.9	Very low	87 Å²	87	113.5 Å²	113.5	45%	0.446	60%	0.603	S	S	.	*			trans	-62.5	100.1	165.4	-61.7	175.2	0	0	0	101.8	R96 D102	R96-I98 PolarHBondContact O-N 3.06Å; I98-D102 HydrophobicContact CG2-CB 4.08Å
99	S	45.8	Very low	36.3	Very low	42 Å²	42	112 Å²	112	29%	0.294	59%	0.585	S	S	.	*			trans	-62.5	146.5	178.9	178.7	0	0	0	0	106.8	K97 Q101 D102	K97-S99 PolarHBondContact O-N 3.02Å; S99-Q101 PolarHBondContact O-N 2.95Å; S99-Q101 WeakPolarHBondContact OG-CB 3.19Å; S99-Q101 PolarHBondContact OG-N 3.26Å; S99-D102 WeakPolarHBondContact O-CB 3.42Å; S99-D102 PolarHBondContact O-N 3.44Å
100	S	48.7	Very low	36.4	Very low	44 Å²	44	113.7 Å²	113.7	31%	0.308	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.3	-24.5	168.1	56.9	0	0	0	0	111.7	L103 E104	S100-L103 PolarHBondContact O-N 2.93Å; S100-E104 PolarHBondContact O-N 2.65Å
101	Q	45.7	Very low	36.8	Very low	115 Å²	115	114.2 Å²	114.2	54%	0.537	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-24.1	173.5	-62.4	175.2	-22.9	0	0	114.3	S99 L103 E104 K109	S99-Q101 PolarHBondContact O-N 2.95Å; S99-Q101 WeakPolarHBondContact OG-CB 3.19Å; S99-Q101 PolarHBondContact OG-N 3.26Å; Q101-L103 PolarHBondContact O-N 3.02Å; Q101-E104 WeakPolarHBondContact O-CB 3.4Å; Q101-E104 PolarHBondContact O-N 2.83Å; Q101-E104 VanDerWaalsContact O-N 3.15Å; Q101-K109 PolarHBondContact O-NZ 2.87Å
102	D	43.1	Very low	37.2	Very low	65 Å²	65	111.1 Å²	111.1	35%	0.348	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-24.6	172.9	-80.4	-19.6	0	0	0	110.7	R96 I98 S99	R96-D102 IonicContact CZ-OD2 3.6Å; R96-D102 IonicContact NE-OD2 3.49Å; R96-D102 PolarHBondContact NE-OD2 3.08Å; R96-D102 IonicContact NH2-OD1 2.79Å; R96-D102 PolarHBondContact NH2-OD1 2.77Å; R96-D102 IonicContact NH2-OD2 2.83Å; R96-D102 PolarHBondContact NH2-OD2 2.69Å; I98-D102 HydrophobicContact CG2-CB 4.08Å; S99-D102 WeakPolarHBondContact O-CB 3.42Å; S99-D102 PolarHBondContact O-N 3.44Å
103	L	46.6	Very low	37.8	Very low	47 Å²	47	108.6 Å²	108.6	25%	0.246	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.6	172.6	-62.3	168.7	0	0	0	113.4	S100 Q101 L105 L372 A375 R376 F379	S100-L103 PolarHBondContact O-N 2.93Å; Q101-L103 PolarHBondContact O-N 3.02Å; L103-L105 PolarHBondContact O-N 3.33Å; L103-L372 HydrophobicContact CD2-CD2 4.02Å; L103-A375 HydrophobicContact CD1-CB 4.3Å; L103-R376 HydrophobicContact CD1-CB 4.02Å; L103-F379 HydrophobicContact CD1-CD2 4.32Å
104	E	41	Very low	38.5	Very low	93 Å²	93	105.1 Å²	105.1	44%	0.435	53%	0.525	S	S	.	.			trans	-64.3	108.8	172.7	-79.4	172.7	-172.8	0	0	109.1	S100 Q101 T106	S100-E104 PolarHBondContact O-N 2.65Å; Q101-E104 WeakPolarHBondContact O-CB 3.4Å; Q101-E104 PolarHBondContact O-N 2.83Å; Q101-E104 VanDerWaalsContact O-N 3.15Å; E104-T106 PolarHBondContact O-N 3.11Å
105	L	42	Very low	39.2	Very low	107 Å²	107	103.8 Å²	103.8	56%	0.56	51%	0.512	S	S	*	.			trans	-67.9	75.6	156	-71.3	168.2	0	0	0	107.4	L103	L103-L105 PolarHBondContact O-N 3.33Å
106	T	34.4	Very low	39.8	Very low	69 Å²	69	107.3 Å²	107.3	42%	0.423	53%	0.525	S	S	.	.			trans	-57.7	142	152.2	50.5	0	0	0	0	106.4	E104 D108 K109	E104-T106 PolarHBondContact O-N 3.11Å; T106-D108 PolarHBondContact O-N 3.18Å; T106-K109 PolarHBondContact O-N 3.22Å
107	Y	39.2	Very low	40.2	Very low	193 Å²	193	106 Å²	106	76%	0.757	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-11.2	-176.5	-74.1	-90.3	0	0	0	115
108	D	35.5	Very low	40.3	Very low	138 Å²	138	101.4 Å²	101.4	74%	0.738	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.7	-179.6	-74.5	-43.3	0	0	0	116.9	T106 R110	T106-D108 PolarHBondContact O-N 3.18Å; D108-R110 PolarHBondContact O-N 3.34Å
109	K	32.4	Very low	40.1	Very low	103 Å²	103	104.4 Å²	104.4	45%	0.448	54%	0.538	S	S	.	.			trans	-83.3	89.9	178.3	-78.7	-175.1	-173.6	171.2	0	111.3	Q101 T106	Q101-K109 PolarHBondContact O-NZ 2.87Å; T106-K109 PolarHBondContact O-N 3.22Å
110	R	34.4	Very low	39.7	Very low	169 Å²	169	107.1 Å²	107.1	64%	0.638	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61.5	133	175.4	-59	175.7	-159.6	-176.6	3.7	111.1	D108 L112 F122	D108-R110 PolarHBondContact O-N 3.34Å; R110-L112 PolarHBondContact O-N 2.86Å; R110-F122 HydrophobicContact CB-CD1 3.69Å; R110-F122 HydrophobicContact CB-CE1 4.28Å; R110-F122 HydrophobicContact CG-CD1 4.35Å
111	I	39	Very low	39.1	Very low	114 Å²	114	107.6 Å²	107.6	59%	0.585	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-64.5	123.4	171.9	-61.3	173.6	0	0	0	108.5
112	L	37.1	Very low	38.9	Very low	119 Å²	119	107.6 Å²	107.6	62%	0.623	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.7	122.5	171.9	-71.5	161.1	0	0	0	108.6	R110 P120 F122	R110-L112 PolarHBondContact O-N 2.86Å; L112-P120 HydrophobicContact CD2-CB 4.21Å; L112-F122 HydrophobicContact CD2-CD1 4.39Å; L112-F122 HydrophobicContact CD2-CE1 3.99Å
113	S	40.3	Very low	38.6	Very low	42 Å²	42	108.1 Å²	108.1	29%	0.294	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	144	166	58.1	0	0	0	0	109.8	T121	S113-T121 PolarHBondContact N-O 2.81Å; S113-T121 PolarHBondContact O-N 2.84Å; S113-T121 PolarHBondContact OG-O 3.13Å
114	S	38.3	Very low	37.7	Very low	91 Å²	91	111.5 Å²	111.5	64%	0.636	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.5	129.6	170.2	51.8	0	0	0	0	110
115	N	39.6	Very low	37.3	Very low	80 Å²	80	110.9 Å²	110.9	43%	0.428	58%	0.58	S	S	.	*			trans	-69.9	172.9	168	-63.2	-5.4	0	0	0	110.2	D117 G118 K119 T121	N115-D117 PolarHBondContact O-N 2.95Å; N115-G118 PolarHBondContact O-N 3.34Å; N115-K119 PolarHBondContact N-O 2.81Å; N115-T121 PolarHBondContact ND2-OG1 3.47Å; N115-T121 VanDerWaalsContact OD1-CB 3.24Å; N115-T121 WeakPolarHBondContact OD1-CB 3.3Å; N115-T121 PolarHBondContact OD1-OG1 3.31Å
116	E	43.4	Very low	36.7	Very low	206 Å²	206	111.5 Å²	111.5	96%	0.963	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-27.9	178.6	-63.7	-178.7	162.2	0	0	113.6
117	D	40.2	Very low	36.3	Very low	149 Å²	149	116.3 Å²	116.3	80%	0.797	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	11.3	176.4	-63.3	-35.7	0	0	0	114.6	N115 K119	N115-D117 PolarHBondContact O-N 2.95Å; D117-K119 PolarHBondContact O-N 3.33Å; D117-K119 VanDerWaalsContact O-N 3.15Å
118	G	38	Very low	36	Very low	56 Å²	56	111.8 Å²	111.8	58%	0.577	59%	0.588	S	S	*	*	S	Bend	trans	71.7	4.6	179.1	0	0	0	0	0	115.3	N115	N115-G118 PolarHBondContact O-N 3.34Å
119	K	37.6	Very low	35.5	Very low	151 Å²	151	110.8 Å²	110.8	66%	0.657	59%	0.589	S	S	*	*			trans	-79.5	133.2	174.9	-72.7	-174.3	-179.7	175.3	0	111.1	N115 D117 T121	N115-K119 PolarHBondContact N-O 2.81Å; D117-K119 PolarHBondContact O-N 3.33Å; D117-K119 VanDerWaalsContact O-N 3.15Å; K119-T121 PolarHBondContact O-N 3.33Å
120	P	37.3	Very low	35.3	Very low	99 Å²	99	111.9 Å²	111.9	64%	0.643	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.1	131.1	175.7	26.7	-32.7	0	0	0	110.4	L112	L112-P120 HydrophobicContact CD2-CB 4.21Å
121	T	36.6	Very low	35	Very low	54 Å²	54	109.3 Å²	109.3	33%	0.331	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.4	153.7	174.8	-63.8	0	0	0	0	109.8	S113 N115 K119	S113-T121 PolarHBondContact N-O 2.81Å; S113-T121 PolarHBondContact O-N 2.84Å; S113-T121 PolarHBondContact OG-O 3.13Å; N115-T121 PolarHBondContact ND2-OG1 3.47Å; N115-T121 VanDerWaalsContact OD1-CB 3.24Å; N115-T121 WeakPolarHBondContact OD1-CB 3.3Å; N115-T121 PolarHBondContact OD1-OG1 3.31Å; K119-T121 PolarHBondContact O-N 3.33Å
122	F	41.7	Very low	34.3	Very low	115 Å²	115	107.8 Å²	107.8	50%	0.504	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.2	135	176.9	-56.9	-75.1	0	0	0	110.8	R110 L112 N124	R110-F122 HydrophobicContact CB-CD1 3.69Å; R110-F122 HydrophobicContact CB-CE1 4.28Å; R110-F122 HydrophobicContact CG-CD1 4.35Å; L112-F122 HydrophobicContact CD2-CD1 4.39Å; L112-F122 HydrophobicContact CD2-CE1 3.99Å; F122-N124 PolarHBondContact O-N 3.29Å
123	I	35.3	Very low	33.8	Very low	75 Å²	75	109.8 Å²	109.8	39%	0.385	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-62.6	124.1	168.7	-57.7	173.3	0	0	0	108.2	F128	I123-F128 HydrophobicContact CB-CE2 4.45Å; I123-F128 HydrophobicContact CG2-CE2 3.89Å
124	N	28.8	Very low	33.1	Very low	118 Å²	118	114 Å²	114	63%	0.631	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-65.1	140.5	-174.7	-154.5	0.5	0	0	0	111.3	F122 V126	F122-N124 PolarHBondContact O-N 3.29Å; N124-V126 PolarHBondContact O-N 2.92Å
125	S	31.8	Very low	32.4	Very low	81 Å²	81	118.6 Å²	118.6	57%	0.566	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-66.3	-7.7	-166.1	57.2	0	0	0	0	116	F127 F128	S125-F127 PolarHBondContact O-N 3.08Å; S125-F128 PolarHBondContact O-N 3.17Å
126	V	29.3	Very low	31.7	Very low	120 Å²	120	119.9 Å²	119.9	73%	0.727	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-68.9	-17.5	-176.2	-174.5	0	0	0	0	112.6	N124	N124-V126 PolarHBondContact O-N 2.92Å
127	F	26.9	Very low	30.8	Very low	169 Å²	169	116.5 Å²	116.5	74%	0.741	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-94.2	-0.1	-179.4	-70.3	-77.8	0	0	0	115.1	S125	S125-F127 PolarHBondContact O-N 3.08Å
128	F	33.1	Very low	30.3	Very low	98 Å²	98	114.8 Å²	114.8	43%	0.43	63%	0.63	S	S	.	*			trans	-125.6	94.8	176.9	-58.2	-78.2	0	0	0	109.5	I123 S125 F130	I123-F128 HydrophobicContact CB-CE2 4.45Å; I123-F128 HydrophobicContact CG2-CE2 3.89Å; S125-F128 PolarHBondContact O-N 3.17Å; F128-F130 VanDerWaalsContact C-N 3.28Å; F128-F130 WeakPolarHBondContact O-CD2 3.5Å; F128-F130 PolarHBondContact O-N 3.39Å
129	P	24.9	Very low	29.7	Very low	118 Å²	118	119.3 Å²	119.3	77%	0.766	64%	0.641	S	S	*	*			trans	-68.9	98.5	164.1	25.2	-20.4	0	0	0	106.6
130	F	27.4	Very low	29	Very low	125 Å²	125	117.1 Å²	117.1	55%	0.548	64%	0.641	S	S	.	*			trans	-54.1	135	164.7	-72.6	-90	0	0	0	107.9	F128 S132	F128-F130 VanDerWaalsContact C-N 3.28Å; F128-F130 WeakPolarHBondContact O-CD2 3.5Å; F128-F130 PolarHBondContact O-N 3.39Å; F130-S132 PolarHBondContact O-N 3.06Å
131	P	27.6	Very low	28.6	Very low	116 Å²	116	118.1 Å²	118.1	75%	0.753	65%	0.65	S	S	*	*			trans	-68	95.4	161.4	26.8	-23.6	0	0	0	105.4	N133	P131-N133 PolarHBondContact O-N 3.3Å; P131-N133 VanDerWaalsContact O-N 3.13Å
132	S	25.6	Very low	28.1	Very low	82 Å²	82	119.9 Å²	119.9	57%	0.573	66%	0.664	S	S	*	*			trans	-54.9	121.6	169.3	35.7	0	0	0	0	107.1	F130 E134	F130-S132 PolarHBondContact O-N 3.06Å; S132-E134 PolarHBondContact O-N 3.11Å
133	N	26.3	Very low	27.3	Very low	161 Å²	161	120 Å²	120	86%	0.861	67%	0.674	S	S	*	*			trans	-63.9	69.4	161.2	-99.9	-14.7	0	0	0	107.8	P131	P131-N133 PolarHBondContact O-N 3.3Å; P131-N133 VanDerWaalsContact O-N 3.13Å
134	E	25.1	Very low	26.8	Very low	131 Å²	131	128.2 Å²	128.2	61%	0.612	70%	0.7	S	S	*	*			trans	-100.2	94.1	166.1	-97.8	-179.3	173.4	0	0	105.3	S132 I136	S132-E134 PolarHBondContact O-N 3.11Å; E134-I136 HydrophobicContact CB-CD1 3.78Å; E134-I136 HydrophobicContact CB-CG1 3.84Å; E134-I136 HydrophobicContact CG-CD1 4.19Å; E134-I136 HydrophobicContact CG-CG1 4.28Å; E134-I136 PolarHBondContact O-N 3.48Å; E134-I136 WeakPolarHBondContact OE2-CD1 3.29Å
135	H	23.8	Very low	26.5	Very low	186 Å²	186	130.5 Å²	130.5	86%	0.861	71%	0.707	S	S	*	*			trans	-49	76.9	141.6	-81.2	-88.6	0	0	0	107.9	D137	H135-D137 PolarHBondContact O-N 2.9Å
136	I	25.3	Very low	26.2	Very low	107 Å²	107	132.8 Å²	132.8	55%	0.549	72%	0.718	S	S	.	*			trans	-89.6	98	165.4	-76.7	161.9	0	0	0	105	E134 S138	E134-I136 HydrophobicContact CB-CD1 3.78Å; E134-I136 HydrophobicContact CB-CG1 3.84Å; E134-I136 HydrophobicContact CG-CD1 4.19Å; E134-I136 HydrophobicContact CG-CG1 4.28Å; E134-I136 PolarHBondContact O-N 3.48Å; E134-I136 WeakPolarHBondContact OE2-CD1 3.29Å; I136-S138 PolarHBondContact O-N 2.92Å
137	D	24.1	Very low	26.1	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	72%	0.72	S	S	*	*			trans	-28.8	126.4	157.7	-71.1	-46	0	0	0	110.7	H135 N139	H135-D137 PolarHBondContact O-N 2.9Å; D137-N139 PolarHBondContact O-N 3.16Å
138	S	30.2	Very low	26.1	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	72%	0.718	S	S	*	*	S	Bend	trans	-61.4	73.1	172.6	55.1	0	0	0	0	110.2	I136	I136-S138 PolarHBondContact O-N 2.92Å
139	N	25.5	Very low	25.9	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	73%	0.734	S	S	*	*			trans	-176	59.7	167.8	-90.7	-23.6	0	0	0	111.7	D137	D137-N139 PolarHBondContact O-N 3.16Å
140	T	23.1	Very low	26.3	Very low	106 Å²	106	129.5 Å²	129.5	65%	0.65	73%	0.733	S	S	*	*			trans	-146.7	64.6	152.1	36.8	0	0	0	0	110.3	S142	T140-S142 PolarHBondContact O-N 3.48Å
141	S	28.8	Very low	26.6	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	74%	0.744	S	S	*	*			trans	-72.3	77.8	157.7	45.2	0	0	0	0	109.3
142	S	25.7	Very low	27.1	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	75%	0.746	S	S	*	*			trans	-171.3	138.5	169	28.2	0	0	0	0	110	T140	T140-S142 PolarHBondContact O-N 3.48Å
143	V	24.2	Very low	27.6	Very low	117 Å²	117	133.3 Å²	133.3	71%	0.709	74%	0.743	S	S	*	*			trans	88.6	48.3	179.1	-154.4	0	0	0	0	115.6	Q145	V143-Q145 HydrophobicContact CG1-CG 4.09Å
144	R	25.1	Very low	28.8	Very low	247 Å²	247	132.7 Å²	132.7	93%	0.932	75%	0.746	S	S	*	*				-86.1	94.3	129.8	-86	-176.6	179.6	177.7	0.2	105.8	T146	R144-T146 VanDerWaalsContact C-N 3.29Å; R144-T146 PolarHBondContact O-N 3.45Å
145	Q	23	Very low	29.7	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	76%	0.755	S	S	*	*			trans	-55.4	100	166.2	-91.4	169.7	-16.6	0	0	107.2	V143 V147	V143-Q145 HydrophobicContact CG1-CG 4.09Å; Q145-V147 PolarHBondContact O-N 2.92Å
146	T	25.8	Very low	31.1	Very low	130 Å²	130	128.5 Å²	128.5	80%	0.798	73%	0.728	S	S	*	*			trans	-57.5	95.9	155.5	47.4	0	0	0	0	105.5	R144 A148	R144-T146 VanDerWaalsContact C-N 3.29Å; R144-T146 PolarHBondContact O-N 3.45Å; T146-A148 VanDerWaalsContact C-N 3.29Å; T146-A148 PolarHBondContact O-N 3.25Å
147	V	27.6	Very low	33.1	Very low	127 Å²	127	127 Å²	127	77%	0.77	72%	0.723	S	S	*	*			trans	-54.7	108.6	157.5	176.5	0	0	0	0	103.8	Q145 S149	Q145-V147 PolarHBondContact O-N 2.92Å; V147-S149 PolarHBondContact O-N 3.18Å
148	A	26.7	Very low	35.2	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	71%	0.708	S	S	*	*			trans	-53.9	109.4	177.1	0	0	0	0	0	107	T146 P150	T146-A148 VanDerWaalsContact C-N 3.29Å; T146-A148 PolarHBondContact O-N 3.25Å; A148-P150 WeakPolarHBondContact O-CD 3.41Å; A148-P150 VanDerWaalsContact O-N 3.13Å
149	S	27.3	Very low	37.3	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	71%	0.708	S	S	*	*			trans	-54	119.7	169.8	-53.8	0	0	0	0	106.8	V147 S151	V147-S149 PolarHBondContact O-N 3.18Å; S149-S151 PolarHBondContact O-N 3.37Å
150	P	33.6	Very low	39.7	Very low	114 Å²	114	125.7 Å²	125.7	74%	0.74	69%	0.689	S	S	*	*			trans	-52.3	135.8	175	-21.8	31.4	0	0	0	108.7	A148 R152	A148-P150 WeakPolarHBondContact O-CD 3.41Å; A148-P150 VanDerWaalsContact O-N 3.13Å; P150-R152 PolarHBondContact O-N 2.98Å; P150-R152 VanDerWaalsContact O-N 3.09Å
151	S	34.4	Very low	42.4	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	68%	0.675	S	S	*	*			trans	-31.9	114.2	176.4	49.9	0	0	0	0	112.1	S149 P153	S149-S151 PolarHBondContact O-N 3.37Å; S151-P153 WeakPolarHBondContact O-CD 3.5Å
152	R	37.1	Very low	44.7	Very low	212 Å²	212	118.4 Å²	118.4	80%	0.8	64%	0.636	S	S	*	*			trans	-47.1	109	179.2	-159.6	178.3	-164.4	-167.8	3.7	109.3	P150 T154	P150-R152 PolarHBondContact O-N 2.98Å; P150-R152 VanDerWaalsContact O-N 3.09Å; R152-T154 PolarHBondContact O-N 3.3Å
153	P	37	Very low	47.2	Very low	80 Å²	80	117.2 Å²	117.2	52%	0.519	63%	0.628	S	S	.	*			trans	-60.5	131.2	175.9	-20	31.9	0	0	0	108.5	S151 H155	S151-P153 WeakPolarHBondContact O-CD 3.5Å; P153-H155 PolarHBondContact O-N 2.87Å
154	T	50.8	Low	50	Low	149 Å²	149	116.9 Å²	116.9	91%	0.914	62%	0.619	S	S	*	*	S	Bend	trans	-68	2.9	-174.3	41	0	0	0	0	114.3	R152	R152-T154 PolarHBondContact O-N 3.3Å
155	H	43.6	Very low	52.7	Low	172 Å²	172	106.4 Å²	106.4	80%	0.796	58%	0.581	S	S	*	*	S	Bend	trans	-149.7	77.9	171.3	-127.8	-81.4	0	0	0	109	P153 T157	P153-H155 PolarHBondContact O-N 2.87Å; H155-T157 PolarHBondContact O-N 2.82Å
156	L	53.3	Low	55.3	Low	56 Å²	56	98.9 Å²	98.9	29%	0.293	55%	0.547	S	S	.	.			trans	-60.8	128.1	166	-73.6	163.4	0	0	0	107.5	D160	L156-D160 HydrophobicContact CB-CB 4.2Å; L156-D160 HydrophobicContact CD2-CB 3.58Å
157	T	68.1	Low	58	Low	75 Å²	75	97.5 Å²	97.5	46%	0.46	54%	0.535	S	S	.	.			trans	-68.1	158.2	169.7	67.3	0	0	0	0	108.7	H155 R159 D160 L161	H155-T157 PolarHBondContact O-N 2.82Å; T157-R159 PolarHBondContact O-N 3.48Å; T157-R159 VanDerWaalsContact O-N 3.12Å; T157-D160 WeakPolarHBondContact CB-OD2 3.31Å; T157-D160 PolarHBondContact N-OD2 3.41Å; T157-D160 PolarHBondContact O-N 3.02Å; T157-D160 PolarHBondContact OG1-N 3.33Å; T157-D160 PolarHBondContact OG1-OD2 3.05Å; T157-L161 PolarHBondContact O-N 3.33Å
158	E	67.9	Low	60.4	Low	87 Å²	87	94.7 Å²	94.7	41%	0.407	52%	0.516	S	S	.	.	H	α-helix	trans	-50.4	-37.2	174.8	-173.2	-161.5	135.3	0	0	112.2	L161 I162 I340	E158-L161 PolarHBondContact O-N 2.82Å; E158-I162 HydrophobicContact CG-CD1 4.09Å; E158-I162 WeakPolarHBondContact O-CB 3.5Å; E158-I162 VanDerWaalsContact O-CG1 3.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.2Å; E158-I162 PolarHBondContact O-N 3.38Å; E158-I340 HydrophobicContact CG-CG1 4.4Å; E158-I340 VanDerWaalsContact OE1-CG1 3.3Å; E158-I340 WeakPolarHBondContact OE1-CG1 3.49Å
159	R	74.2	Confident	63	Low	211 Å²	211	90.7 Å²	90.7	80%	0.796	48%	0.482	S	S	*	.	H	α-helix	trans	-64.3	-40	175	-78.9	-170.5	171.7	118	0.4	113.3	T157 S163	T157-R159 PolarHBondContact O-N 3.48Å; T157-R159 VanDerWaalsContact O-N 3.12Å; R159-S163 VanDerWaalsContact O-CB 3.28Å; R159-S163 WeakPolarHBondContact O-CB 3.39Å; R159-S163 PolarHBondContact O-N 2.91Å
160	D	76.6	Confident	65.6	Low	75 Å²	75	88.8 Å²	88.8	40%	0.401	47%	0.468	S	S	.	.	H	α-helix	trans	-68.8	-40.8	179.5	-56.1	-45.7	0	0	0	110.6	L156 T157 S163 E164	L156-D160 HydrophobicContact CB-CB 4.2Å; L156-D160 HydrophobicContact CD2-CB 3.58Å; T157-D160 WeakPolarHBondContact CB-OD2 3.31Å; T157-D160 PolarHBondContact N-OD2 3.41Å; T157-D160 PolarHBondContact O-N 3.02Å; T157-D160 PolarHBondContact OG1-N 3.33Å; T157-D160 PolarHBondContact OG1-OD2 3.05Å; D160-S163 PolarHBondContact O-N 3.12Å; D160-E164 PolarHBondContact O-N 3.15Å
161	L	79	Confident	67.9	Low	65 Å²	65	93.1 Å²	93.1	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-46.1	176.4	-175.8	63.9	0	0	0	111.5	T157 E158 S163 E164 L165 L189	T157-L161 PolarHBondContact O-N 3.33Å; E158-L161 PolarHBondContact O-N 2.82Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.21Å; L161-E164 PolarHBondContact O-N 3.48Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CB 3.26Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.1Å; L161-L189 HydrophobicContact CD2-CD2 3.53Å; L161-L189 HydrophobicContact CG-CD2 3.94Å
162	I	78.4	Confident	70.5	Confident	7 Å²	7	90.1 Å²	90.1	4%	0.036	44%	0.444	C	S	.	.	H	α-helix	trans	-60.3	-41.3	175	-72.4	171.9	0	0	0	110.7	E158 L165 A166 Y344 F347	E158-I162 HydrophobicContact CG-CD1 4.09Å; E158-I162 WeakPolarHBondContact O-CB 3.5Å; E158-I162 VanDerWaalsContact O-CG1 3.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.2Å; E158-I162 PolarHBondContact O-N 3.38Å; I162-L165 PolarHBondContact O-N 2.96Å; I162-A166 WeakPolarHBondContact O-CB 3.47Å; I162-A166 PolarHBondContact O-N 3.12Å; I162-Y344 HydrophobicContact CG2-CD2 4.31Å; I162-F347 HydrophobicContact CG2-CD2 4.17Å; I162-F347 HydrophobicContact CG2-CE2 3.98Å
163	S	78	Confident	72.8	Confident	67 Å²	67	83.7 Å²	83.7	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-45	178.5	-173.2	0	0	0	0	112.4	R159 D160 L161 A166 L167	R159-S163 VanDerWaalsContact O-CB 3.28Å; R159-S163 WeakPolarHBondContact O-CB 3.39Å; R159-S163 PolarHBondContact O-N 2.91Å; D160-S163 PolarHBondContact O-N 3.12Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.21Å; S163-A166 PolarHBondContact O-N 3.02Å; S163-L167 WeakPolarHBondContact O-CG 3.24Å; S163-L167 PolarHBondContact O-N 3.3Å
164	E	82	Confident	75.2	Confident	110 Å²	110	83.7 Å²	83.7	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-46.2	176.5	-173.8	-179.6	177.7	0	0	111.4	D160 L161 A166 L167 D168	D160-E164 PolarHBondContact O-N 3.15Å; L161-E164 PolarHBondContact O-N 3.48Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-A166 PolarHBondContact O-N 3.36Å; E164-L167 PolarHBondContact O-N 3.24Å; E164-D168 PolarHBondContact O-N 2.64Å
165	L	81.4	Confident	77	Confident	26 Å²	26	76.9 Å²	76.9	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-67.4	-35.3	178.1	-64.7	175.6	0	0	0	112	L161 I162 L167 D168 I169 N185 L189 Y344	L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CB 3.26Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.1Å; I162-L165 PolarHBondContact O-N 2.96Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L165-D168 PolarHBondContact O-N 2.93Å; L165-I169 WeakPolarHBondContact O-CD1 3.43Å; L165-I169 VanDerWaalsContact O-CG1 3.24Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.23Å; L165-I169 VanDerWaalsContact O-N 3.17Å; L165-N185 HydrophobicContact CD1-CB 4.25Å; L165-N185 HydrophobicContact CD2-CB 4.49Å; L165-L189 HydrophobicContact CD1-CD1 3.86Å; L165-L189 HydrophobicContact CD1-CD2 3.86Å; L165-L189 HydrophobicContact CD1-CG 3.88Å; L165-Y344 HydrophobicContact CB-CE2 3.57Å; L165-Y344 HydrophobicContact CD1-CE2 4.38Å
166	A	79.6	Confident	79.2	Confident	8 Å²	8	69.8 Å²	69.8	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-38.1	174.4	0	0	0	0	0	111.7	I162 S163 E164 I169 C170 F347	I162-A166 WeakPolarHBondContact O-CB 3.47Å; I162-A166 PolarHBondContact O-N 3.12Å; S163-A166 PolarHBondContact O-N 3.02Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-A166 PolarHBondContact O-N 3.36Å; A166-I169 PolarHBondContact O-N 3.28Å; A166-C170 WeakPolarHBondContact O-CB 3.44Å; A166-C170 PolarHBondContact O-N 2.71Å; A166-C170 PolarHBondContact O-SG 3.43Å; A166-F347 HydrophobicContact CB-CB 3.98Å; A166-F347 HydrophobicContact CB-CD1 4.35Å; A166-F347 HydrophobicContact CB-CD2 4.38Å; A166-F347 HydrophobicContact CB-CG 3.99Å
167	L	80.8	Confident	81	Confident	102 Å²	102	67.8 Å²	67.8	53%	0.534	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-33.8	175.7	-72.5	172.6	0	0	0	113.1	S163 E164 L165	S163-L167 WeakPolarHBondContact O-CG 3.24Å; S163-L167 PolarHBondContact O-N 3.3Å; E164-L167 PolarHBondContact O-N 3.24Å; L165-L167 VanDerWaalsContact C-N 3.34Å
168	D	77.9	Confident	82.1	Confident	68 Å²	68	64.2 Å²	64.2	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-68.3	-42.6	175	-177.8	29.9	0	0	0	111.8	E164 L165 K181	E164-D168 PolarHBondContact O-N 2.64Å; L165-D168 PolarHBondContact O-N 2.93Å; D168-K181 IonicContact OD1-NZ 3.17Å; D168-K181 PolarHBondContact OD1-NZ 2.84Å; D168-K181 IonicContact OD2-NZ 2.95Å
169	I	82.5	Confident	83.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-47.3	175.3	-65.6	163.5	0	0	0	111.2	L165 A166 R171 E172 L178 I182 Y344 C348	L165-I169 WeakPolarHBondContact O-CD1 3.43Å; L165-I169 VanDerWaalsContact O-CG1 3.24Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.23Å; L165-I169 VanDerWaalsContact O-N 3.17Å; A166-I169 PolarHBondContact O-N 3.28Å; I169-R171 PolarHBondContact O-N 3.37Å; I169-E172 PolarHBondContact O-N 3.02Å; I169-L178 HydrophobicContact CB-CD1 3.99Å; I169-L178 HydrophobicContact CG1-CD1 4.42Å; I169-L178 HydrophobicContact CG2-CD1 3.28Å; I169-L178 HydrophobicContact CG2-CG 4.45Å; I169-L178 WeakPolarHBondContact O-CD1 3.31Å; I169-I182 HydrophobicContact CD1-CG1 4.45Å; I169-I182 HydrophobicContact CG1-CG1 4.49Å; I169-I182 HydrophobicContact CG2-CG1 4.49Å; I169-Y344 HydrophobicContact CD1-CE1 4.01Å; I169-Y344 HydrophobicContact CD1-CE2 3.56Å; I169-Y344 WeakPolarHBondContact CD1-OH 3.28Å; I169-C348 VanDerWaalsContact CD1-SG 3.51Å
170	C	80.6	Confident	84.1	Confident	71 Å²	71	50.5 Å²	50.5	48%	0.48	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.5	-173	-74.8	0	0	0	0	114.5	A166	A166-C170 WeakPolarHBondContact O-CB 3.44Å; A166-C170 PolarHBondContact O-N 2.71Å; A166-C170 PolarHBondContact O-SG 3.43Å
171	R	83.7	Confident	84.7	Confident	205 Å²	205	48.9 Å²	48.9	77%	0.774	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.6	177.4	-67.9	177	-177.9	176.5	2.5	113.3	I169	I169-R171 PolarHBondContact O-N 3.37Å
172	E	87.4	Confident	85.4	Confident	47 Å²	47	45.8 Å²	45.8	22%	0.22	23%	0.234	C	C	.	.			trans	-90.9	119.3	-177.2	-157.9	69.7	-148.2	0	0	110	I169 S177 L178 K181	I169-E172 PolarHBondContact O-N 3.02Å; E172-S177 VanDerWaalsContact OE1-CB 3.28Å; E172-S177 WeakPolarHBondContact OE1-CB 3.29Å; E172-S177 PolarHBondContact OE1-OG 3.02Å; E172-L178 HydrophobicContact CB-CB 4.18Å; E172-L178 HydrophobicContact CB-CD1 3.98Å; E172-L178 HydrophobicContact CG-CB 3.99Å; E172-K181 WeakPolarHBondContact OE2-CE 3.47Å; E172-K181 IonicContact OE2-NZ 3.72Å; E172-K181 PolarHBondContact OE2-NZ 3.46Å
173	L	86.3	Confident	86	Confident	77 Å²	77	45.5 Å²	45.5	40%	0.403	23%	0.233	S	C	.	.			trans	-102.3	-10.6	177.2	-65.5	176.5	0	0	0	113.1	A355 Y358	L173-A355 WeakPolarHBondContact O-CB 3.48Å; L173-Y358 HydrophobicContact CB-CD1 3.81Å; L173-Y358 HydrophobicContact CB-CE1 4.23Å; L173-Y358 HydrophobicContact CB-CG 4.22Å; L173-Y358 HydrophobicContact CD1-CD1 4.27Å; L173-Y358 HydrophobicContact CD1-CD2 4.11Å; L173-Y358 HydrophobicContact CD1-CE1 4.39Å; L173-Y358 HydrophobicContact CD1-CE2 4.24Å; L173-Y358 HydrophobicContact CD1-CG 4.12Å
174	D	87.7	Confident	86.7	Confident	80 Å²	80	43.2 Å²	43.2	43%	0.428	22%	0.215	S	C	.	.			trans	-81.6	117.1	173.5	-179.3	75.7	0	0	0	109.7	T176 S177 L178	D174-T176 PolarHBondContact O-N 2.78Å; D174-T176 WeakPolarHBondContact OD2-CB 3.39Å; D174-T176 PolarHBondContact OD2-N 2.58Å; D174-T176 VanDerWaalsContact OD2-N 3.17Å; D174-S177 PolarHBondContact O-N 3.33Å; D174-S177 WeakPolarHBondContact OD2-CB 3.42Å; D174-S177 PolarHBondContact OD2-N 2.68Å; D174-L178 WeakPolarHBondContact O-CB 3.43Å; D174-L178 PolarHBondContact O-N 2.77Å
175	V	89.2	Confident	87.1	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-34.6	-175.1	174.5	0	0	0	0	111.8	S179 L199 L352 A355 Q356 E359	V175-S179 VanDerWaalsContact O-CB 3.28Å; V175-S179 WeakPolarHBondContact O-CB 3.29Å; V175-S179 PolarHBondContact O-N 2.99Å; V175-S179 PolarHBondContact O-OG 2.98Å; V175-L199 HydrophobicContact CG1-CD1 3.57Å; V175-L199 HydrophobicContact CG1-CD2 3.88Å; V175-L199 HydrophobicContact CG1-CG 4.4Å; V175-L352 HydrophobicContact CG1-CD1 3.98Å; V175-A355 HydrophobicContact CG2-CB 3.75Å; V175-Q356 HydrophobicContact CG2-CG 4.04Å; V175-E359 WeakPolarHBondContact CG2-OE2 3.41Å
176	T	89.2	Confident	87.6	Confident	23 Å²	23	37 Å²	37	14%	0.141	19%	0.186	C	C	.	.	H	α-helix	trans	-74.1	-52.5	-177.8	-50.6	0	0	0	0	110.9	D174 L178 S179 F180 L215 F224 L228	D174-T176 PolarHBondContact O-N 2.78Å; D174-T176 WeakPolarHBondContact OD2-CB 3.39Å; D174-T176 PolarHBondContact OD2-N 2.58Å; D174-T176 VanDerWaalsContact OD2-N 3.17Å; T176-L178 VanDerWaalsContact C-N 3.27Å; T176-L178 PolarHBondContact O-N 2.58Å; T176-S179 PolarHBondContact O-N 2.8Å; T176-F180 PolarHBondContact O-N 3.01Å; T176-L215 HydrophobicContact CG2-CD1 3.91Å; T176-L215 HydrophobicContact CG2-CD2 4.04Å; T176-L215 HydrophobicContact CG2-CG 4.01Å; T176-L215 WeakPolarHBondContact O-CD1 2.82Å; T176-F224 HydrophobicContact CG2-CE2 4.27Å; T176-F224 HydrophobicContact CG2-CZ 4.43Å; T176-L228 HydrophobicContact CG2-CD1 4.09Å
177	S	89.6	Confident	88.2	Confident	14 Å²	14	36.7 Å²	36.7	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-43.2	173.4	179.8	0	0	0	0	111.7	E172 D174 F180 K181 F224	E172-S177 VanDerWaalsContact OE1-CB 3.28Å; E172-S177 WeakPolarHBondContact OE1-CB 3.29Å; E172-S177 PolarHBondContact OE1-OG 3.02Å; D174-S177 PolarHBondContact O-N 3.33Å; D174-S177 WeakPolarHBondContact OD2-CB 3.42Å; D174-S177 PolarHBondContact OD2-N 2.68Å; S177-F180 WeakPolarHBondContact O-CB 3.44Å; S177-F180 PolarHBondContact O-N 3.32Å; S177-K181 WeakPolarHBondContact O-CG 3.49Å; S177-K181 PolarHBondContact O-N 3.18Å; S177-F224 VanDerWaalsContact CA-CE2 3.44Å
178	L	91.7	Very high	88.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-47.2	177	-178.2	54.7	0	0	0	112.1	I169 E172 D174 T176 F180 K181 I182 L352 A355	I169-L178 HydrophobicContact CB-CD1 3.99Å; I169-L178 HydrophobicContact CG1-CD1 4.42Å; I169-L178 HydrophobicContact CG2-CD1 3.28Å; I169-L178 HydrophobicContact CG2-CG 4.45Å; I169-L178 WeakPolarHBondContact O-CD1 3.31Å; E172-L178 HydrophobicContact CB-CB 4.18Å; E172-L178 HydrophobicContact CB-CD1 3.98Å; E172-L178 HydrophobicContact CG-CB 3.99Å; D174-L178 WeakPolarHBondContact O-CB 3.43Å; D174-L178 PolarHBondContact O-N 2.77Å; T176-L178 VanDerWaalsContact C-N 3.27Å; T176-L178 PolarHBondContact O-N 2.58Å; L178-F180 VanDerWaalsContact C-N 3.27Å; L178-F180 PolarHBondContact O-N 3.24Å; L178-K181 PolarHBondContact O-N 3.26Å; L178-I182 HydrophobicContact CD1-CD1 4.12Å; L178-I182 HydrophobicContact CD1-CG1 4.26Å; L178-I182 HydrophobicContact CG-CD1 3.9Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.03Å; L178-L352 HydrophobicContact CD2-CB 4.35Å; L178-L352 HydrophobicContact CD2-CD1 4.33Å; L178-A355 HydrophobicContact CD2-CB 3.75Å
179	S	92.1	Very high	89.2	Confident	3 Å²	3	36 Å²	36	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-40.3	176.3	-61.9	0	0	0	0	111.8	V175 T176 V183	V175-S179 VanDerWaalsContact O-CB 3.28Å; V175-S179 WeakPolarHBondContact O-CB 3.29Å; V175-S179 PolarHBondContact O-N 2.99Å; V175-S179 PolarHBondContact O-OG 2.98Å; T176-S179 PolarHBondContact O-N 2.8Å; S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 3.18Å
180	F	91.7	Very high	89.6	Confident	7 Å²	7	36 Å²	36	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-52.1	174.7	175.5	-100.8	0	0	0	112	T176 S177 L178 I182 V183 Q184 L215 I218 C222 F224 V227	T176-F180 PolarHBondContact O-N 3.01Å; S177-F180 WeakPolarHBondContact O-CB 3.44Å; S177-F180 PolarHBondContact O-N 3.32Å; L178-F180 VanDerWaalsContact C-N 3.27Å; L178-F180 PolarHBondContact O-N 3.24Å; F180-I182 VanDerWaalsContact C-N 3.32Å; F180-I182 PolarHBondContact O-N 3.23Å; F180-V183 PolarHBondContact O-N 3.5Å; F180-Q184 WeakPolarHBondContact O-CB 3.35Å; F180-Q184 PolarHBondContact O-N 3.28Å; F180-L215 HydrophobicContact CB-CD1 3.66Å; F180-I218 HydrophobicContact CD2-CD1 4.09Å; F180-I218 HydrophobicContact CD2-CG1 4.19Å; F180-I218 HydrophobicContact CD2-CG2 4.12Å; F180-I218 HydrophobicContact CE2-CG1 4.48Å; F180-I218 HydrophobicContact CE2-CG2 3.89Å; F180-C222 HydrophobicContact CE2-CB 3.99Å; F180-C222 HydrophobicContact CZ-CB 4.05Å; F180-C222 WeakPolarHBondContact CZ-O 3.43Å; F180-F224 HydrophobicContact CB-CD2 3.69Å; F180-F224 HydrophobicContact CB-CE2 4.03Å; F180-F224 HydrophobicContact CD1-CB 3.88Å; F180-F224 AromaticContact CD1-CD2 3.77Å; F180-F224 HydrophobicContact CD1-CD2 3.77Å; F180-F224 HydrophobicContact CD1-CG 4.26Å; F180-F224 HydrophobicContact CD2-CD2 4.24Å; F180-F224 HydrophobicContact CE1-CB 3.79Å; F180-F224 HydrophobicContact CE1-CD2 4.47Å; F180-F224 HydrophobicContact CG-CB 4.45Å; F180-F224 AromaticContact CG-CD2 3.63Å; F180-F224 HydrophobicContact CG-CD2 3.63Å; F180-F224 HydrophobicContact CG-CE2 4.45Å; F180-F224 HydrophobicContact CZ-CB 4.28Å; F180-V227 HydrophobicContact CD2-CB 4.47Å; F180-V227 HydrophobicContact CD2-CG1 4.48Å; F180-V227 HydrophobicContact CE2-CB 4.19Å; F180-V227 HydrophobicContact CE2-CG2 3.87Å
181	K	90.7	Very high	90.1	Very high	41 Å²	41	35.6 Å²	35.6	18%	0.178	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-43	179	-74.4	-178.3	175	-174	0	111.7	D168 E172 S177 L178 Q184 N185	D168-K181 IonicContact OD1-NZ 3.17Å; D168-K181 PolarHBondContact OD1-NZ 2.84Å; D168-K181 IonicContact OD2-NZ 2.95Å; E172-K181 WeakPolarHBondContact OE2-CE 3.47Å; E172-K181 IonicContact OE2-NZ 3.72Å; E172-K181 PolarHBondContact OE2-NZ 3.46Å; S177-K181 WeakPolarHBondContact O-CG 3.49Å; S177-K181 PolarHBondContact O-N 3.18Å; L178-K181 PolarHBondContact O-N 3.26Å; K181-Q184 PolarHBondContact O-N 3.07Å; K181-N185 WeakPolarHBondContact O-CB 3.47Å; K181-N185 PolarHBondContact O-N 2.95Å; K181-N185 PolarHBondContact O-ND2 3.44Å; K181-N185 VanDerWaalsContact O-ND2 3.14Å
182	I	92.1	Very high	90.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-53.9	178	-69	163.9	0	0	0	110.3	I169 L178 F180 N185 V186 F197 I286 C348	I169-I182 HydrophobicContact CD1-CG1 4.45Å; I169-I182 HydrophobicContact CG1-CG1 4.49Å; I169-I182 HydrophobicContact CG2-CG1 4.49Å; L178-I182 HydrophobicContact CD1-CD1 4.12Å; L178-I182 HydrophobicContact CD1-CG1 4.26Å; L178-I182 HydrophobicContact CG-CD1 3.9Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.03Å; F180-I182 VanDerWaalsContact C-N 3.32Å; F180-I182 PolarHBondContact O-N 3.23Å; I182-N185 PolarHBondContact O-N 2.8Å; I182-V186 VanDerWaalsContact O-CG2 3.23Å; I182-V186 WeakPolarHBondContact O-CG2 3Å; I182-V186 PolarHBondContact O-N 3.31Å; I182-F197 HydrophobicContact CB-CE2 4.44Å; I182-F197 HydrophobicContact CD1-CE2 4.11Å; I182-F197 HydrophobicContact CG2-CD2 4.49Å; I182-F197 HydrophobicContact CG2-CE2 4.19Å; I182-I286 HydrophobicContact CG2-CD1 4.25Å; I182-C348 HydrophobicContact CD1-CB 3.79Å; I182-C348 HydrophobicContact CG1-CB 3.94Å; I182-C348 HydrophobicContact CG2-CB 4.23Å
183	V	92.6	Very high	90.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-45.7	-178.1	177.6	0	0	0	0	111.4	S179 F180 N185 V186 C187 F197 I218	S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 3.18Å; F180-V183 PolarHBondContact O-N 3.5Å; V183-N185 VanDerWaalsContact C-N 3.3Å; V183-N185 PolarHBondContact O-N 3.23Å; V183-V186 PolarHBondContact O-N 2.87Å; V183-C187 PolarHBondContact O-N 3.1Å; V183-C187 PolarHBondContact O-SG 2.87Å; V183-F197 HydrophobicContact CG2-CB 3.68Å; V183-F197 HydrophobicContact CG2-CD2 3.84Å; V183-F197 HydrophobicContact CG2-CG 4.27Å; V183-I218 HydrophobicContact CB-CB 4.46Å; V183-I218 HydrophobicContact CB-CD1 3.67Å; V183-I218 HydrophobicContact CB-CG2 4.38Å; V183-I218 HydrophobicContact CG1-CB 3.82Å; V183-I218 HydrophobicContact CG1-CD1 3.81Å; V183-I218 HydrophobicContact CG1-CG1 4.39Å; V183-I218 HydrophobicContact CG1-CG2 4.04Å; V183-I218 HydrophobicContact CG2-CD1 4.03Å
184	Q	91.9	Very high	91.2	Very high	20 Å²	20	25 Å²	25	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-44.5	-179.8	177.7	171.2	84.7	0	0	111.6	F180 K181 C187 R188 I218 P220 C222	F180-Q184 WeakPolarHBondContact O-CB 3.35Å; F180-Q184 PolarHBondContact O-N 3.28Å; K181-Q184 PolarHBondContact O-N 3.07Å; Q184-C187 PolarHBondContact O-N 2.91Å; Q184-R188 WeakPolarHBondContact O-CG 3.17Å; Q184-R188 PolarHBondContact O-N 2.93Å; Q184-R188 VanDerWaalsContact O-N 3.12Å; Q184-R188 VanDerWaalsContact OE1-NH2 3.09Å; Q184-I218 HydrophobicContact CB-CG2 4.16Å; Q184-P220 PolarHBondContact NE2-O 2.72Å; Q184-C222 PolarHBondContact NE2-O 3Å
185	N	90.4	Very high	91.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-39.2	179.5	-72.9	-23.1	0	0	0	112.2	L165 K181 I182 V183 R188 L189 Y344	L165-N185 HydrophobicContact CD1-CB 4.25Å; L165-N185 HydrophobicContact CD2-CB 4.49Å; K181-N185 WeakPolarHBondContact O-CB 3.47Å; K181-N185 PolarHBondContact O-N 2.95Å; K181-N185 PolarHBondContact O-ND2 3.44Å; K181-N185 VanDerWaalsContact O-ND2 3.14Å; I182-N185 PolarHBondContact O-N 2.8Å; V183-N185 VanDerWaalsContact C-N 3.3Å; V183-N185 PolarHBondContact O-N 3.23Å; N185-R188 PolarHBondContact O-N 2.96Å; N185-L189 WeakPolarHBondContact O-CB 3.41Å; N185-L189 VanDerWaalsContact O-CG 3.27Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.04Å; N185-Y344 HydrophobicContact CB-CE1 3.93Å; N185-Y344 WeakPolarHBondContact CB-OH 3.29Å; N185-Y344 PolarHBondContact ND2-OH 3.35Å
186	V	92.1	Very high	91.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-47.3	172.8	174.1	0	0	0	0	110.5	I182 V183 R188 L189 I190 V299 F341 Y344	I182-V186 VanDerWaalsContact O-CG2 3.23Å; I182-V186 WeakPolarHBondContact O-CG2 3Å; I182-V186 PolarHBondContact O-N 3.31Å; V183-V186 PolarHBondContact O-N 2.87Å; V186-R188 PolarHBondContact O-N 3.47Å; V186-L189 PolarHBondContact O-N 2.82Å; V186-L189 VanDerWaalsContact O-N 3.13Å; V186-I190 HydrophobicContact CG1-CD1 4.13Å; V186-I190 HydrophobicContact CG1-CG1 4.13Å; V186-I190 WeakPolarHBondContact O-CG1 3.48Å; V186-I190 PolarHBondContact O-N 3.47Å; V186-V299 HydrophobicContact CB-CG1 4.44Å; V186-V299 HydrophobicContact CG1-CG1 3.74Å; V186-V299 HydrophobicContact CG1-CG2 4.39Å; V186-F341 HydrophobicContact CB-CD2 4.28Å; V186-F341 HydrophobicContact CB-CE2 4.06Å; V186-F341 HydrophobicContact CG1-CD1 4.01Å; V186-F341 HydrophobicContact CG1-CD2 3.54Å; V186-F341 HydrophobicContact CG1-CE1 3.92Å; V186-F341 HydrophobicContact CG1-CE2 3.45Å; V186-F341 VanDerWaalsContact CG1-CE2 3.45Å; V186-F341 HydrophobicContact CG1-CG 3.86Å; V186-F341 HydrophobicContact CG1-CZ 3.64Å; V186-F341 HydrophobicContact CG2-CD2 3.64Å; V186-F341 HydrophobicContact CG2-CE2 3.43Å; V186-F341 VanDerWaalsContact CG2-CE2 3.43Å; V186-F341 HydrophobicContact CG2-CZ 4.29Å; V186-Y344 HydrophobicContact CG2-CD1 3.54Å; V186-Y344 HydrophobicContact CG2-CE1 3.77Å
187	C	93	Very high	91.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57	-36.2	178.6	-67.5	0	0	0	0	112	V183 Q184 N191 A192 P220	V183-C187 PolarHBondContact O-N 3.1Å; V183-C187 PolarHBondContact O-SG 2.87Å; Q184-C187 PolarHBondContact O-N 2.91Å; C187-N191 CarbonylContact O-C 3.53Å; C187-N191 VanDerWaalsContact O-CA 3.27Å; C187-N191 WeakPolarHBondContact O-CA 3.15Å; C187-N191 PolarHBondContact O-N 2.99Å; C187-N191 VanDerWaalsContact O-N 3.1Å; C187-A192 HydrophobicContact CB-CB 4.36Å; C187-A192 PolarHBondContact O-N 3.48Å; C187-P220 HydrophobicContact CB-CG 3.82Å
188	R	89.6	Confident	92	Very high	127 Å²	127	21.4 Å²	21.4	48%	0.479	10%	0.098	S	C	.	.	H	α-helix	trans	-69.4	-50.2	172.9	-70	173.7	-175.6	155.9	1.4	112.6	Q184 N185 V186 I190 N191 P220	Q184-R188 WeakPolarHBondContact O-CG 3.17Å; Q184-R188 PolarHBondContact O-N 2.93Å; Q184-R188 VanDerWaalsContact O-N 3.12Å; Q184-R188 VanDerWaalsContact OE1-NH2 3.09Å; N185-R188 PolarHBondContact O-N 2.96Å; V186-R188 PolarHBondContact O-N 3.47Å; R188-I190 VanDerWaalsContact C-N 3.34Å; R188-I190 PolarHBondContact O-N 3.43Å; R188-N191 PolarHBondContact O-N 3.3Å; R188-P220 HydrophobicContact CG-CB 3.72Å; R188-P220 VanDerWaalsContact CZ-O 3.28Å; R188-P220 PolarHBondContact NE-O 3.43Å; R188-P220 PolarHBondContact NH2-O 3.04Å
189	L	89.5	Confident	92.1	Very high	29 Å²	29	21.7 Å²	21.7	15%	0.152	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-41.3	-175.2	-77.3	171	0	0	0	112.6	L161 L165 N185 V186 I340 Y344	L161-L189 HydrophobicContact CD2-CD2 3.53Å; L161-L189 HydrophobicContact CG-CD2 3.94Å; L165-L189 HydrophobicContact CD1-CD1 3.86Å; L165-L189 HydrophobicContact CD1-CD2 3.86Å; L165-L189 HydrophobicContact CD1-CG 3.88Å; N185-L189 WeakPolarHBondContact O-CB 3.41Å; N185-L189 VanDerWaalsContact O-CG 3.27Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.04Å; V186-L189 PolarHBondContact O-N 2.82Å; V186-L189 VanDerWaalsContact O-N 3.13Å; L189-I340 HydrophobicContact CB-CG2 4.07Å; L189-Y344 HydrophobicContact CD1-CD1 4.14Å; L189-Y344 HydrophobicContact CD1-CD2 3.88Å; L189-Y344 HydrophobicContact CD1-CE1 4.45Å; L189-Y344 HydrophobicContact CD1-CE2 4.24Å; L189-Y344 HydrophobicContact CD1-CG 3.81Å
190	I	91.3	Very high	92.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	16.9	-177.9	70	165.6	0	0	0	113.1	V186 R188 A192 L282 V299 K302 F333 D337 I340 F341	V186-I190 HydrophobicContact CG1-CD1 4.13Å; V186-I190 HydrophobicContact CG1-CG1 4.13Å; V186-I190 WeakPolarHBondContact O-CG1 3.48Å; V186-I190 PolarHBondContact O-N 3.47Å; R188-I190 VanDerWaalsContact C-N 3.34Å; R188-I190 PolarHBondContact O-N 3.43Å; I190-A192 VanDerWaalsContact C-N 3.29Å; I190-A192 HydrophobicContact CG1-CB 4.34Å; I190-A192 PolarHBondContact O-N 3.29Å; I190-L282 HydrophobicContact CD1-CD2 4Å; I190-V299 HydrophobicContact CD1-CG2 3.53Å; I190-V299 HydrophobicContact CG1-CG2 4.49Å; I190-K302 WeakPolarHBondContact O-CD 3.35Å; I190-K302 WeakPolarHBondContact O-CE 3.44Å; I190-K302 PolarHBondContact O-NZ 3.45Å; I190-F333 HydrophobicContact CD1-CD1 3.74Å; I190-F333 HydrophobicContact CD1-CE1 3.58Å; I190-F333 HydrophobicContact CG1-CE1 4.17Å; I190-D337 HydrophobicContact CB-CB 4.21Å; I190-D337 HydrophobicContact CG2-CB 4.14Å; I190-I340 HydrophobicContact CG2-CB 4.13Å; I190-I340 HydrophobicContact CG2-CG2 3.92Å; I190-F341 HydrophobicContact CD1-CD1 4.15Å; I190-F341 HydrophobicContact CG2-CB 4.47Å
191	N	91.3	Very high	92	Very high	61 Å²	61	25 Å²	25	33%	0.326	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	46.6	177.3	-159.9	26.7	0	0	0	113.4	C187 R188 K303	C187-N191 CarbonylContact O-C 3.53Å; C187-N191 VanDerWaalsContact O-CA 3.27Å; C187-N191 WeakPolarHBondContact O-CA 3.15Å; C187-N191 PolarHBondContact O-N 2.99Å; C187-N191 VanDerWaalsContact O-N 3.1Å; R188-N191 PolarHBondContact O-N 3.3Å; N191-K303 WeakPolarHBondContact ND2-CB 3.25Å; N191-K303 PolarHBondContact ND2-O 2.95Å; N191-K303 VanDerWaalsContact ND2-O 3.13Å; N191-K303 WeakPolarHBondContact O-CB 3.35Å; N191-K303 PolarHBondContact O-N 3.38Å
192	A	93.3	Very high	91.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	153.2	174.8	0	0	0	0	0	110.6	C187 I190 V299 F333	C187-A192 HydrophobicContact CB-CB 4.36Å; C187-A192 PolarHBondContact O-N 3.48Å; I190-A192 VanDerWaalsContact C-N 3.29Å; I190-A192 HydrophobicContact CG1-CB 4.34Å; I190-A192 PolarHBondContact O-N 3.29Å; A192-V299 HydrophobicContact CB-CB 3.79Å; A192-V299 HydrophobicContact CB-CG1 4.38Å; A192-V299 HydrophobicContact CB-CG2 4.28Å; A192-F333 HydrophobicContact CB-CE1 4.02Å; A192-F333 HydrophobicContact CB-CZ 4.02Å
193	D	93.8	Very high	90.7	Very high	37 Å²	37	31.3 Å²	31.3	20%	0.198	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-51.3	177.4	-169.5	34.2	0	0	0	112	Y276 I300 N301 K303	D193-Y276 PolarHBondContact OD2-OH 3.35Å; D193-I300 PolarHBondContact N-O 3.37Å; D193-I300 VanDerWaalsContact N-O 3.14Å; D193-N301 HydrophobicContact CB-CB 3.86Å; D193-N301 WeakPolarHBondContact CB-O 3.34Å; D193-N301 PolarHBondContact N-O 2.96Å; D193-K303 HydrophobicContact CB-CG 4.41Å; D193-K303 WeakPolarHBondContact OD1-CE 3.29Å; D193-K303 IonicContact OD1-NZ 2.65Å; D193-K303 PolarHBondContact OD1-NZ 3.32Å
194	R	93	Very high	89.4	Confident	71 Å²	71	38.2 Å²	38.2	27%	0.268	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.3	-175.2	-69	165.4	-170.3	-119.5	-0.2	110.5	D217 I218 T219 Y276 V299 I300	R194-D217 WeakPolarHBondContact CD-OD1 3.17Å; R194-D217 WeakPolarHBondContact CG-OD1 3.45Å; R194-D217 IonicContact CZ-OD1 3.53Å; R194-D217 IonicContact NE-OD1 2.72Å; R194-D217 IonicContact NH1-OD1 3.64Å; R194-D217 PolarHBondContact NH1-OD1 3.49Å; R194-D217 IonicContact NH1-OD2 3.54Å; R194-D217 PolarHBondContact NH1-OD2 3.37Å; R194-D217 VanDerWaalsContact NH1-OD2 3.07Å; R194-I218 CarbonylContact C-O 3.5Å; R194-I218 VanDerWaalsContact CA-O 3.31Å; R194-I218 WeakPolarHBondContact CA-O 3.25Å; R194-T219 HydrophobicContact CG-CG2 4.19Å; R194-Y276 VanDerWaalsContact CD-CZ 3.45Å; R194-V299 WeakPolarHBondContact O-CA 3.19Å; R194-I300 HydrophobicContact CB-CD1 4.05Å; R194-I300 HydrophobicContact CB-CG1 3.81Å; R194-I300 PolarHBondContact O-N 2.89Å
195	G	92.6	Very high	88.1	Confident	2 Å²	2	41.5 Å²	41.5	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	168	172.6	0	0	0	0	0	113.5	D217 I218 L298	G195-D217 PolarHBondContact O-N 2.72Å; G195-I218 PolarHBondContact N-O 3.45Å; G195-I218 PolarHBondContact O-N 3.22Å; G195-L298 CarbonylContact C-O 3.4Å; G195-L298 WeakPolarHBondContact CA-O 3.35Å
196	S	92.5	Very high	87.1	Confident	23 Å²	23	45.6 Å²	45.6	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.3	178.8	-62.4	0	0	0	0	109.9	L298	S196-L298 PolarHBondContact N-O 3.05Å; S196-L298 PolarHBondContact O-N 3.15Å
197	F	93.5	Very high	86	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.6	180	-163.1	-75.7	0	0	0	110.2	I182 V183 L199 S213 L215 I286 L352	I182-F197 HydrophobicContact CB-CE2 4.44Å; I182-F197 HydrophobicContact CD1-CE2 4.11Å; I182-F197 HydrophobicContact CG2-CD2 4.49Å; I182-F197 HydrophobicContact CG2-CE2 4.19Å; V183-F197 HydrophobicContact CG2-CB 3.68Å; V183-F197 HydrophobicContact CG2-CD2 3.84Å; V183-F197 HydrophobicContact CG2-CG 4.27Å; F197-L199 HydrophobicContact CD1-CD2 4.26Å; F197-L199 HydrophobicContact CD1-CG 3.93Å; F197-L199 HydrophobicContact CE1-CB 4.47Å; F197-L199 HydrophobicContact CE1-CD2 3.43Å; F197-L199 VanDerWaalsContact CE1-CD2 3.43Å; F197-L199 HydrophobicContact CE1-CG 3.57Å; F197-L199 HydrophobicContact CZ-CD2 4.18Å; F197-S213 WeakPolarHBondContact O-CA 3.2Å; F197-S213 WeakPolarHBondContact O-CB 3.42Å; F197-S213 PolarHBondContact O-OG 2.99Å; F197-L215 PolarHBondContact N-O 2.95Å; F197-I286 HydrophobicContact CD2-CD1 4.22Å; F197-I286 HydrophobicContact CE2-CD1 3.2Å; F197-I286 HydrophobicContact CZ-CD1 3.52Å; F197-L352 HydrophobicContact CE1-CD2 4.44Å; F197-L352 HydrophobicContact CZ-CD2 3.77Å
198	F	94.1	Very high	85.4	Confident	18 Å²	18	53.8 Å²	53.8	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.2	174.6	-62.7	-96.8	0	0	0	109.5	L211 I236 V238 T245 G295 V296 L298	F198-L211 HydrophobicContact CB-CB 4.25Å; F198-L211 HydrophobicContact CB-CD2 4.21Å; F198-L211 HydrophobicContact CD1-CB 4.4Å; F198-I236 HydrophobicContact CE1-CG2 4.37Å; F198-V238 HydrophobicContact CD1-CG2 4.46Å; F198-V238 HydrophobicContact CE1-CG2 4.05Å; F198-T245 HydrophobicContact CD2-CG2 3.77Å; F198-T245 HydrophobicContact CE2-CG2 3.73Å; F198-T245 HydrophobicContact CG-CG2 4.41Å; F198-T245 HydrophobicContact CZ-CG2 4.32Å; F198-G295 CarbonylContact O-C 3.5Å; F198-G295 WeakPolarHBondContact O-CA 3.49Å; F198-V296 PolarHBondContact N-O 2.74Å; F198-V296 PolarHBondContact O-N 3.42Å; F198-L298 HydrophobicContact CE2-CD2 4.48Å
199	L	93.2	Very high	85.3	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.1	173.2	-72.3	160	0	0	0	109.9	V175 F197 E201 L211 V212 L352	V175-L199 HydrophobicContact CG1-CD1 3.57Å; V175-L199 HydrophobicContact CG1-CD2 3.88Å; V175-L199 HydrophobicContact CG1-CG 4.4Å; F197-L199 HydrophobicContact CD1-CD2 4.26Å; F197-L199 HydrophobicContact CD1-CG 3.93Å; F197-L199 HydrophobicContact CE1-CB 4.47Å; F197-L199 HydrophobicContact CE1-CD2 3.43Å; F197-L199 VanDerWaalsContact CE1-CD2 3.43Å; F197-L199 HydrophobicContact CE1-CG 3.57Å; F197-L199 HydrophobicContact CZ-CD2 4.18Å; L199-E201 HydrophobicContact CB-CG 4.17Å; L199-E201 PolarHBondContact O-N 3.31Å; L199-L211 CarbonylContact O-C 3.48Å; L199-L211 WeakPolarHBondContact O-CA 3.49Å; L199-V212 PolarHBondContact N-O 2.9Å; L199-V212 PolarHBondContact O-N 3.49Å; L199-L352 HydrophobicContact CD2-CD1 3.92Å; L199-L352 HydrophobicContact CD2-CD2 4.13Å; L199-L352 HydrophobicContact CD2-CG 4.49Å
200	V	92.6	Very high	85.4	Confident	19 Å²	19	50.5 Å²	50.5	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.6	166.3	-178.2	0	0	0	0	107.5	D209 V210 L211 F240 V293 L294	V200-D209 HydrophobicContact CG1-CB 4.12Å; V200-V210 WeakPolarHBondContact CA-O 3.49Å; V200-L211 HydrophobicContact CG2-CD2 3.75Å; V200-F240 HydrophobicContact CG1-CE2 4.36Å; V200-V293 HydrophobicContact CG2-CG1 4.36Å; V200-L294 PolarHBondContact N-O 3.3Å
201	E	88.1	Confident	85.4	Confident	62 Å²	62	50.4 Å²	50.4	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.5	176.4	-64.8	-172.8	-177	0	0	110	L199 D209 V210 V212 K214	L199-E201 HydrophobicContact CB-CG 4.17Å; L199-E201 PolarHBondContact O-N 3.31Å; E201-D209 CarbonylContact O-C 3.55Å; E201-D209 WeakPolarHBondContact O-CA 3.47Å; E201-V210 PolarHBondContact N-O 3.25Å; E201-V210 WeakPolarHBondContact O-CG2 3.41Å; E201-V210 PolarHBondContact O-N 3.01Å; E201-V212 HydrophobicContact CB-CG2 3.98Å; E201-V212 HydrophobicContact CG-CB 4.4Å; E201-V212 HydrophobicContact CG-CG2 4.25Å; E201-K214 IonicContact OE1-NZ 2.96Å; E201-K214 PolarHBondContact OE1-NZ 2.93Å
202	K	81.1	Confident	85.3	Confident	150 Å²	150	48 Å²	48	65%	0.652	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.9	171.1	-71.7	-169.8	173.4	-168.3	0	110.7	R204 E208	K202-R204 PolarHBondContact O-N 2.84Å; K202-E208 CarbonylContact C-O 3.52Å; K202-E208 WeakPolarHBondContact CA-O 3.36Å
203	S	75	Confident	85	Confident	22 Å²	22	48 Å²	48	15%	0.154	25%	0.251	C	S	.	.			trans	-57.2	126.7	170.1	172.9	0	0	0	0	110.2	S205 T206 G207 E208	S203-S205 VanDerWaalsContact C-N 3.27Å; S203-S205 PolarHBondContact O-N 3.08Å; S203-S205 PolarHBondContact OG-N 3.32Å; S203-S205 PolarHBondContact OG-OG 3.19Å; S203-S205 VanDerWaalsContact OG-OG 3.04Å; S203-T206 WeakPolarHBondContact CB-OG1 3.47Å; S203-T206 PolarHBondContact OG-N 3.38Å; S203-T206 PolarHBondContact OG-OG1 3.46Å; S203-G207 WeakPolarHBondContact O-CA 3.46Å; S203-G207 PolarHBondContact O-N 2.95Å; S203-E208 WeakPolarHBondContact CB-O 3.35Å; S203-E208 PolarHBondContact N-O 3.17Å
204	R	66.2	Low	84.4	Confident	146 Å²	146	48.5 Å²	48.5	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.2	177.2	-68.5	-177.9	175.9	-131.5	0	113	K202 D547	K202-R204 PolarHBondContact O-N 2.84Å; R204-D547 IonicContact NH1-OD2 3.38Å
205	S	64.1	Low	83.8	Confident	90 Å²	90	45.2 Å²	45.2	63%	0.629	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-38.6	-176.9	53.5	0	0	0	0	112.6	S203	S203-S205 VanDerWaalsContact C-N 3.27Å; S203-S205 PolarHBondContact O-N 3.08Å; S203-S205 PolarHBondContact OG-N 3.32Å; S203-S205 PolarHBondContact OG-OG 3.19Å; S203-S205 VanDerWaalsContact OG-OG 3.04Å
206	T	69	Low	83.3	Confident	89 Å²	89	47.5 Å²	47.5	55%	0.546	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-19.7	-173.8	60.3	0	0	0	0	114.1	S203 E208	S203-T206 WeakPolarHBondContact CB-OG1 3.47Å; S203-T206 PolarHBondContact OG-N 3.38Å; S203-T206 PolarHBondContact OG-OG1 3.46Å; T206-E208 PolarHBondContact O-N 3.24Å; T206-E208 PolarHBondContact OG1-N 2.7Å
207	G	69.3	Low	82.8	Confident	39 Å²	39	48.2 Å²	48.2	40%	0.402	25%	0.251	S	S	.	.			trans	78.1	-1.9	-173	0	0	0	0	0	115	S203	S203-G207 WeakPolarHBondContact O-CA 3.46Å; S203-G207 PolarHBondContact O-N 2.95Å
208	E	80.9	Confident	82.6	Confident	136 Å²	136	48 Å²	48	64%	0.636	25%	0.25	S	S	*	.			trans	-80.1	153.5	-179.1	-62.6	-175.8	150.5	0	0	112.4	K202 S203 T206	K202-E208 CarbonylContact C-O 3.52Å; K202-E208 WeakPolarHBondContact CA-O 3.36Å; S203-E208 WeakPolarHBondContact CB-O 3.35Å; S203-E208 PolarHBondContact N-O 3.17Å; T206-E208 PolarHBondContact O-N 3.24Å; T206-E208 PolarHBondContact OG1-N 2.7Å
209	D	86.6	Confident	82.4	Confident	65 Å²	65	48.5 Å²	48.5	35%	0.348	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.9	175.6	-66.7	-23.8	0	0	0	110.7	V200 E201 F240	V200-D209 HydrophobicContact CG1-CB 4.12Å; E201-D209 CarbonylContact O-C 3.55Å; E201-D209 WeakPolarHBondContact O-CA 3.47Å; D209-F240 HydrophobicContact CB-CD2 3.96Å; D209-F240 HydrophobicContact CB-CE2 4.35Å; D209-F240 HydrophobicContact CB-CG 4.36Å; D209-F240 WeakPolarHBondContact O-CB 3.24Å
210	V	91.3	Very high	82.1	Confident	21 Å²	21	48.9 Å²	48.9	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.1	176.3	-68.2	0	0	0	0	110	V200 E201 V212 I237	V200-V210 WeakPolarHBondContact CA-O 3.49Å; E201-V210 PolarHBondContact N-O 3.25Å; E201-V210 WeakPolarHBondContact O-CG2 3.41Å; E201-V210 PolarHBondContact O-N 3.01Å; V210-V212 HydrophobicContact CG2-CG2 3.97Å; V210-I237 HydrophobicContact CB-CG2 4.14Å; V210-I237 HydrophobicContact CG2-CG2 4.31Å
211	L	92	Very high	81.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	175.9	-71.7	174	0	0	0	110.1	F198 L199 V200 I237 V238 A249 V296	F198-L211 HydrophobicContact CB-CB 4.25Å; F198-L211 HydrophobicContact CB-CD2 4.21Å; F198-L211 HydrophobicContact CD1-CB 4.4Å; L199-L211 CarbonylContact O-C 3.48Å; L199-L211 WeakPolarHBondContact O-CA 3.49Å; V200-L211 HydrophobicContact CG2-CD2 3.75Å; L211-I237 CarbonylContact O-C 3.6Å; L211-I237 WeakPolarHBondContact O-CA 3.43Å; L211-V238 HydrophobicContact CB-CB 4.17Å; L211-V238 PolarHBondContact N-O 2.98Å; L211-V238 PolarHBondContact O-N 3.47Å; L211-A249 HydrophobicContact CD1-CB 3.97Å; L211-A249 HydrophobicContact CD2-CB 3.95Å; L211-A249 HydrophobicContact CG-CB 4.37Å; L211-V296 HydrophobicContact CD2-CG2 4.49Å
212	V	89	Confident	81.9	Confident	10 Å²	10	52.6 Å²	52.6	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	-177.7	-174	0	0	0	0	109.9	L199 E201 V210 H235 I236 I237	L199-V212 PolarHBondContact N-O 2.9Å; L199-V212 PolarHBondContact O-N 3.49Å; E201-V212 HydrophobicContact CB-CG2 3.98Å; E201-V212 HydrophobicContact CG-CB 4.4Å; E201-V212 HydrophobicContact CG-CG2 4.25Å; V210-V212 HydrophobicContact CG2-CG2 3.97Å; V212-H235 HydrophobicContact CG1-CB 4.3Å; V212-I236 CarbonylContact C-O 3.53Å; V212-I236 WeakPolarHBondContact CA-O 3.16Å; V212-I237 HydrophobicContact CG2-CG1 4.37Å
213	S	88.3	Confident	82.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.6	170.5	-169.7	0	0	0	0	110.4	F197 L215 H235 I236	F197-S213 WeakPolarHBondContact O-CA 3.2Å; F197-S213 WeakPolarHBondContact O-CB 3.42Å; F197-S213 PolarHBondContact O-OG 2.99Å; S213-L215 PolarHBondContact OG-O 3.08Å; S213-H235 WeakPolarHBondContact O-CA 3.44Å; S213-I236 PolarHBondContact N-O 2.96Å; S213-I236 PolarHBondContact O-N 3.41Å
214	K	80.5	Confident	82.8	Confident	47 Å²	47	51.5 Å²	51.5	20%	0.204	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-16.3	168.8	-60.1	-179.6	-176.1	165	0	112.8	E201 C231	E201-K214 IonicContact OE1-NZ 2.96Å; E201-K214 PolarHBondContact OE1-NZ 2.93Å; K214-C231 VanDerWaalsContact O-CB 3.25Å; K214-C231 WeakPolarHBondContact O-CB 3.34Å
215	L	80.1	Confident	83.7	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	116.2	-173.9	-57.8	165.9	0	0	0	109.9	T176 F180 F197 S213 I218 V227	T176-L215 HydrophobicContact CG2-CD1 3.91Å; T176-L215 HydrophobicContact CG2-CD2 4.04Å; T176-L215 HydrophobicContact CG2-CG 4.01Å; T176-L215 WeakPolarHBondContact O-CD1 2.82Å; F180-L215 HydrophobicContact CB-CD1 3.66Å; F197-L215 PolarHBondContact N-O 2.95Å; S213-L215 PolarHBondContact OG-O 3.08Å; L215-I218 HydrophobicContact CB-CD1 3.88Å; L215-I218 HydrophobicContact CB-CG1 4.47Å; L215-V227 HydrophobicContact CD2-CG1 3.78Å
216	F	81.8	Confident	84.8	Confident	50 Å²	50	50 Å²	50	22%	0.219	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.5	176.9	56.7	-90.4	0	0	0	110.4	I218 C231 I236	F216-I218 PolarHBondContact O-N 3.2Å; F216-C231 HydrophobicContact CD1-CB 4.47Å; F216-C231 HydrophobicContact CE1-CB 3.93Å; F216-C231 VanDerWaalsContact CE1-SG 3.57Å; F216-C231 HydrophobicContact CZ-CB 4.46Å; F216-I236 HydrophobicContact CB-CD1 4.17Å; F216-I236 HydrophobicContact CD1-CD1 3.99Å; F216-I236 HydrophobicContact CG-CD1 4.1Å
217	D	83	Confident	85.5	Confident	38 Å²	38	46 Å²	46	20%	0.203	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.6	46.2	178.2	-169.7	35.4	0	0	0	114.5	R194 G195 R230	R194-D217 WeakPolarHBondContact CD-OD1 3.17Å; R194-D217 WeakPolarHBondContact CG-OD1 3.45Å; R194-D217 IonicContact CZ-OD1 3.53Å; R194-D217 IonicContact NE-OD1 2.72Å; R194-D217 IonicContact NH1-OD1 3.64Å; R194-D217 PolarHBondContact NH1-OD1 3.49Å; R194-D217 IonicContact NH1-OD2 3.54Å; R194-D217 PolarHBondContact NH1-OD2 3.37Å; R194-D217 VanDerWaalsContact NH1-OD2 3.07Å; G195-D217 PolarHBondContact O-N 2.72Å; D217-R230 PolarHBondContact O-NH2 3.39Å; D217-R230 IonicContact OD2-CZ 2.63Å; D217-R230 IonicContact OD2-NH1 3.41Å; D217-R230 PolarHBondContact OD2-NH1 2.94Å; D217-R230 IonicContact OD2-NH2 2.92Å
218	I	89.2	Confident	86	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.1	178.3	-59	167.9	0	0	0	108.9	F180 V183 Q184 R194 G195 L215 F216 V227	F180-I218 HydrophobicContact CD2-CD1 4.09Å; F180-I218 HydrophobicContact CD2-CG1 4.19Å; F180-I218 HydrophobicContact CD2-CG2 4.12Å; F180-I218 HydrophobicContact CE2-CG1 4.48Å; F180-I218 HydrophobicContact CE2-CG2 3.89Å; V183-I218 HydrophobicContact CB-CB 4.46Å; V183-I218 HydrophobicContact CB-CD1 3.67Å; V183-I218 HydrophobicContact CB-CG2 4.38Å; V183-I218 HydrophobicContact CG1-CB 3.82Å; V183-I218 HydrophobicContact CG1-CD1 3.81Å; V183-I218 HydrophobicContact CG1-CG1 4.39Å; V183-I218 HydrophobicContact CG1-CG2 4.04Å; V183-I218 HydrophobicContact CG2-CD1 4.03Å; Q184-I218 HydrophobicContact CB-CG2 4.16Å; R194-I218 CarbonylContact C-O 3.5Å; R194-I218 VanDerWaalsContact CA-O 3.31Å; R194-I218 WeakPolarHBondContact CA-O 3.25Å; G195-I218 PolarHBondContact N-O 3.45Å; G195-I218 PolarHBondContact O-N 3.22Å; L215-I218 HydrophobicContact CB-CD1 3.88Å; L215-I218 HydrophobicContact CB-CG1 4.47Å; F216-I218 PolarHBondContact O-N 3.2Å; I218-V227 HydrophobicContact CG1-CG1 4.45Å
219	T	89.8	Confident	85.9	Confident	28 Å²	28	48.1 Å²	48.1	17%	0.172	25%	0.245	C	C	.	.			trans	-105.2	162.8	170.9	84.8	0	0	0	0	111	R194 E221 C222	R194-T219 HydrophobicContact CG-CG2 4.19Å; T219-E221 PolarHBondContact O-N 2.95Å; T219-E221 PolarHBondContact OG1-N 3.12Å; T219-E221 PolarHBondContact OG1-OE2 2.77Å; T219-C222 PolarHBondContact N-SG 2.97Å; T219-C222 PolarHBondContact O-N 2.71Å; T219-C222 PolarHBondContact OG1-N 3.4Å; T219-C222 PolarHBondContact OG1-SG 3.48Å; T219-C222 VanDerWaalsContact OG1-SG 3.34Å
220	P	87.1	Confident	85.4	Confident	12 Å²	12	50.8 Å²	50.8	8%	0.078	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.4	174.6	-26	33.9	0	0	0	115	Q184 C187 R188	Q184-P220 PolarHBondContact NE2-O 2.72Å; C187-P220 HydrophobicContact CB-CG 3.82Å; R188-P220 HydrophobicContact CG-CB 3.72Å; R188-P220 VanDerWaalsContact CZ-O 3.28Å; R188-P220 PolarHBondContact NE-O 3.43Å; R188-P220 PolarHBondContact NH2-O 3.04Å
221	E	87.9	Confident	84.6	Confident	132 Å²	132	49.9 Å²	49.9	62%	0.617	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.3	-174.2	-51.3	76.7	-166.6	0	0	113.7	T219	T219-E221 PolarHBondContact O-N 2.95Å; T219-E221 PolarHBondContact OG1-N 3.12Å; T219-E221 PolarHBondContact OG1-OE2 2.77Å
222	C	88.6	Confident	83.3	Confident	27 Å²	27	53.3 Å²	53.3	18%	0.182	27%	0.268	C	S	.	.			trans	-59	148.4	178.9	-76	0	0	0	0	112.5	F180 Q184 T219 V227	F180-C222 HydrophobicContact CE2-CB 3.99Å; F180-C222 HydrophobicContact CZ-CB 4.05Å; F180-C222 WeakPolarHBondContact CZ-O 3.43Å; Q184-C222 PolarHBondContact NE2-O 3Å; T219-C222 PolarHBondContact N-SG 2.97Å; T219-C222 PolarHBondContact O-N 2.71Å; T219-C222 PolarHBondContact OG1-N 3.4Å; T219-C222 PolarHBondContact OG1-SG 3.48Å; T219-C222 VanDerWaalsContact OG1-SG 3.34Å; C222-V227 HydrophobicContact CB-CG2 3.73Å
223	I	89	Confident	81.9	Confident	103 Å²	103	58 Å²	58	53%	0.528	30%	0.302	S	S	.	.			trans	-99.9	140	168.7	-62.9	161.6	0	0	0	108.2	D225 D226 V227	I223-D225 PolarHBondContact O-N 3.1Å; I223-D226 PolarHBondContact O-N 3.36Å; I223-V227 PolarHBondContact O-N 3.16Å
224	F	86.1	Confident	80.8	Confident	47 Å²	47	63.4 Å²	63.4	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-56.6	-50.3	-174.8	175.2	-113	0	0	0	113	T176 S177 F180 D226 V227 L228	T176-F224 HydrophobicContact CG2-CE2 4.27Å; T176-F224 HydrophobicContact CG2-CZ 4.43Å; S177-F224 VanDerWaalsContact CA-CE2 3.44Å; F180-F224 HydrophobicContact CB-CD2 3.69Å; F180-F224 HydrophobicContact CB-CE2 4.03Å; F180-F224 HydrophobicContact CD1-CB 3.88Å; F180-F224 AromaticContact CD1-CD2 3.77Å; F180-F224 HydrophobicContact CD1-CD2 3.77Å; F180-F224 HydrophobicContact CD1-CG 4.26Å; F180-F224 HydrophobicContact CD2-CD2 4.24Å; F180-F224 HydrophobicContact CE1-CB 3.79Å; F180-F224 HydrophobicContact CE1-CD2 4.47Å; F180-F224 HydrophobicContact CG-CB 4.45Å; F180-F224 AromaticContact CG-CD2 3.63Å; F180-F224 HydrophobicContact CG-CD2 3.63Å; F180-F224 HydrophobicContact CG-CE2 4.45Å; F180-F224 HydrophobicContact CZ-CB 4.28Å; F224-D226 VanDerWaalsContact C-N 3.33Å; F224-D226 PolarHBondContact O-N 3.42Å; F224-V227 PolarHBondContact O-N 2.82Å; F224-L228 HydrophobicContact CE1-CD2 4.17Å; F224-L228 HydrophobicContact CZ-CD2 4.15Å; F224-L228 WeakPolarHBondContact O-CB 3.4Å; F224-L228 PolarHBondContact O-N 3.4Å
225	D	84.6	Confident	80.7	Confident	110 Å²	110	66 Å²	66	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-38.3	-176.3	-65.5	-37.3	0	0	0	112.6	I223 L228 Q229	I223-D225 PolarHBondContact O-N 3.1Å; D225-L228 PolarHBondContact O-N 3.35Å; D225-Q229 WeakPolarHBondContact O-CB 3.42Å; D225-Q229 PolarHBondContact O-N 3.35Å
226	D	85.9	Confident	80.6	Confident	95 Å²	95	69.4 Å²	69.4	51%	0.508	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-41.9	177.1	-67.9	-19.8	0	0	0	111.4	I223 F224 R230	I223-D226 PolarHBondContact O-N 3.36Å; F224-D226 VanDerWaalsContact C-N 3.33Å; F224-D226 PolarHBondContact O-N 3.42Å; D226-R230 VanDerWaalsContact O-CB 3.3Å; D226-R230 WeakPolarHBondContact O-CB 3.39Å; D226-R230 PolarHBondContact O-N 3.25Å
227	V	83.9	Confident	80.7	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-68.5	-43.8	177.5	176.5	0	0	0	0	110.5	F180 L215 I218 C222 I223 F224 Q229 R230 C231	F180-V227 HydrophobicContact CD2-CB 4.47Å; F180-V227 HydrophobicContact CD2-CG1 4.48Å; F180-V227 HydrophobicContact CE2-CB 4.19Å; F180-V227 HydrophobicContact CE2-CG2 3.87Å; L215-V227 HydrophobicContact CD2-CG1 3.78Å; I218-V227 HydrophobicContact CG1-CG1 4.45Å; C222-V227 HydrophobicContact CB-CG2 3.73Å; I223-V227 PolarHBondContact O-N 3.16Å; F224-V227 PolarHBondContact O-N 2.82Å; V227-Q229 PolarHBondContact O-N 3.39Å; V227-R230 PolarHBondContact O-N 2.79Å; V227-C231 WeakPolarHBondContact O-CB 3.39Å; V227-C231 PolarHBondContact O-N 2.84Å; V227-C231 PolarHBondContact O-SG 3.12Å
228	L	80.3	Confident	80.8	Confident	65 Å²	65	71.9 Å²	71.9	34%	0.34	38%	0.376	S	S	.	.	H	α-helix	trans	-59.6	-49.7	178.1	-172.8	63.3	0	0	0	110.3	T176 F224 D225 R230 C231 S232	T176-L228 HydrophobicContact CG2-CD1 4.09Å; F224-L228 HydrophobicContact CE1-CD2 4.17Å; F224-L228 HydrophobicContact CZ-CD2 4.15Å; F224-L228 WeakPolarHBondContact O-CB 3.4Å; F224-L228 PolarHBondContact O-N 3.4Å; D225-L228 PolarHBondContact O-N 3.35Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 2.91Å; L228-C231 CarbonylContact O-C 3.41Å; L228-C231 PolarHBondContact O-N 3.28Å; L228-S232 PolarHBondContact O-N 2.79Å; L228-S232 PolarHBondContact O-OG 3.11Å
229	Q	78.1	Confident	80.6	Confident	155 Å²	155	75.6 Å²	75.6	72%	0.724	40%	0.4	S	S	*	.	H	α-helix	trans	-60.2	-39.3	177.7	-172.3	177.2	1.6	0	0	112.6	D225 V227 C231	D225-Q229 WeakPolarHBondContact O-CB 3.42Å; D225-Q229 PolarHBondContact O-N 3.35Å; V227-Q229 PolarHBondContact O-N 3.39Å; Q229-C231 VanDerWaalsContact C-N 3.32Å
230	R	77.4	Confident	80.4	Confident	122 Å²	122	77.8 Å²	77.8	46%	0.46	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-33.7	175.1	-177.3	169.9	64	154.3	3	112.5	D217 D226 V227 L228	D217-R230 PolarHBondContact O-NH2 3.39Å; D217-R230 IonicContact OD2-CZ 2.63Å; D217-R230 IonicContact OD2-NH1 3.41Å; D217-R230 PolarHBondContact OD2-NH1 2.94Å; D217-R230 IonicContact OD2-NH2 2.92Å; D226-R230 VanDerWaalsContact O-CB 3.3Å; D226-R230 WeakPolarHBondContact O-CB 3.39Å; D226-R230 PolarHBondContact O-N 3.25Å; V227-R230 PolarHBondContact O-N 2.79Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 2.91Å
231	C	75.1	Confident	80.3	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.007	42%	0.421	C	S	.	.	H	α-helix	trans	-96.4	-13.8	-174.5	-58	0	0	0	0	114.3	K214 F216 V227 L228 Q229 S233 N234	K214-C231 VanDerWaalsContact O-CB 3.25Å; K214-C231 WeakPolarHBondContact O-CB 3.34Å; F216-C231 HydrophobicContact CD1-CB 4.47Å; F216-C231 HydrophobicContact CE1-CB 3.93Å; F216-C231 VanDerWaalsContact CE1-SG 3.57Å; F216-C231 HydrophobicContact CZ-CB 4.46Å; V227-C231 WeakPolarHBondContact O-CB 3.39Å; V227-C231 PolarHBondContact O-N 2.84Å; V227-C231 PolarHBondContact O-SG 3.12Å; L228-C231 CarbonylContact O-C 3.41Å; L228-C231 PolarHBondContact O-N 3.28Å; Q229-C231 VanDerWaalsContact C-N 3.32Å; C231-S233 PolarHBondContact O-N 2.95Å; C231-N234 PolarHBondContact O-N 2.9Å; C231-N234 VanDerWaalsContact O-N 3.11Å
232	S	63.6	Low	80.3	Confident	73 Å²	73	77.8 Å²	77.8	51%	0.51	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-23.5	-170.8	-69.7	0	0	0	0	116.8	L228	L228-S232 PolarHBondContact O-N 2.79Å; L228-S232 PolarHBondContact O-OG 3.11Å
233	S	59.6	Low	80.4	Confident	109 Å²	109	78 Å²	78	76%	0.762	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-12.1	-174.6	-53.4	0	0	0	0	114.8	C231	C231-S233 PolarHBondContact O-N 2.95Å
234	N	65.4	Low	80.6	Confident	112 Å²	112	73.5 Å²	73.5	60%	0.599	40%	0.397	S	S	*	.			trans	-136.1	85.9	-168.6	-72.1	-25.1	0	0	0	111.3	C231	C231-N234 PolarHBondContact O-N 2.9Å; C231-N234 VanDerWaalsContact O-N 3.11Å
235	H	77.3	Confident	81	Confident	103 Å²	103	72 Å²	72	48%	0.477	39%	0.392	S	S	.	.			trans	-75.8	133.3	167.3	-58.7	133.2	0	0	0	110	V212 S213	V212-H235 HydrophobicContact CG1-CB 4.3Å; S213-H235 WeakPolarHBondContact O-CA 3.44Å
236	I	80.1	Confident	81.3	Confident	73 Å²	73	66.7 Å²	66.7	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.1	174	-58	168.7	0	0	0	107.5	F198 V212 S213 F216 V238	F198-I236 HydrophobicContact CE1-CG2 4.37Å; V212-I236 CarbonylContact C-O 3.53Å; V212-I236 WeakPolarHBondContact CA-O 3.16Å; S213-I236 PolarHBondContact N-O 2.96Å; S213-I236 PolarHBondContact O-N 3.41Å; F216-I236 HydrophobicContact CB-CD1 4.17Å; F216-I236 HydrophobicContact CD1-CD1 3.99Å; F216-I236 HydrophobicContact CG-CD1 4.1Å; I236-V238 HydrophobicContact CG2-CG2 4.05Å
237	I	82.4	Confident	81.7	Confident	112 Å²	112	65.3 Å²	65.3	57%	0.574	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	117.5	175.6	-56.1	174.4	0	0	0	108	V210 L211 V212	V210-I237 HydrophobicContact CB-CG2 4.14Å; V210-I237 HydrophobicContact CG2-CG2 4.31Å; L211-I237 CarbonylContact O-C 3.6Å; L211-I237 WeakPolarHBondContact O-CA 3.43Å; V212-I237 HydrophobicContact CG2-CG1 4.37Å
238	V	85.9	Confident	82.3	Confident	28 Å²	28	65.1 Å²	65.1	17%	0.17	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.2	174.9	-176.4	0	0	0	0	107.8	F198 L211 I236 F240 V242	F198-V238 HydrophobicContact CD1-CG2 4.46Å; F198-V238 HydrophobicContact CE1-CG2 4.05Å; L211-V238 HydrophobicContact CB-CB 4.17Å; L211-V238 PolarHBondContact N-O 2.98Å; L211-V238 PolarHBondContact O-N 3.47Å; I236-V238 HydrophobicContact CG2-CG2 4.05Å; V238-F240 PolarHBondContact O-N 2.93Å; V238-V242 HydrophobicContact CG1-CB 4.1Å; V238-V242 HydrophobicContact CG1-CG1 4.44Å
239	P	85	Confident	83	Confident	77 Å²	77	62.3 Å²	62.3	50%	0.5	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	142.2	173.9	-21.6	31.3	0	0	0	110.6	N241 V242	P239-N241 PolarHBondContact O-N 2.51Å; P239-V242 HydrophobicContact CB-CB 4.43Å; P239-V242 HydrophobicContact CB-CG2 3.8Å; P239-V242 HydrophobicContact CG-CG2 4.2Å; P239-V242 PolarHBondContact O-N 3.34Å; P239-V242 VanDerWaalsContact O-N 3.16Å
240	F	84.9	Confident	83.7	Confident	75 Å²	75	61 Å²	61	33%	0.329	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	137.2	176.5	-162.8	-96.2	0	0	0	109	V200 D209 V238 A249 R250	V200-F240 HydrophobicContact CG1-CE2 4.36Å; D209-F240 HydrophobicContact CB-CD2 3.96Å; D209-F240 HydrophobicContact CB-CE2 4.35Å; D209-F240 HydrophobicContact CB-CG 4.36Å; D209-F240 WeakPolarHBondContact O-CB 3.24Å; V238-F240 PolarHBondContact O-N 2.93Å; F240-A249 HydrophobicContact CE2-CB 4Å; F240-A249 HydrophobicContact CZ-CB 4.38Å; F240-R250 HydrophobicContact CE1-CB 4.05Å; F240-R250 HydrophobicContact CE1-CG 4.39Å; F240-R250 HydrophobicContact CZ-CB 4.49Å
241	N	85.3	Confident	84.5	Confident	67 Å²	67	57.5 Å²	57.5	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	19.2	-177.4	-170.9	39.3	0	0	0	117.1	P239 R250	P239-N241 PolarHBondContact O-N 2.51Å; N241-R250 HydrophobicContact CB-CB 4.49Å; N241-R250 PolarHBondContact ND2-NH1 2.9Å; N241-R250 VanDerWaalsContact OD1-CD 3.3Å; N241-R250 WeakPolarHBondContact OD1-CD 3.49Å; N241-R250 PolarHBondContact OD1-NE 3.1Å; N241-R250 PolarHBondContact OD1-NH1 3.03Å; N241-R250 PolarHBondContact OD1-NH2 3.25Å
242	V	88	Confident	85.4	Confident	76 Å²	76	57.8 Å²	57.8	46%	0.461	32%	0.321	S	S	.	.			trans	-105.9	134.1	171.5	177.6	0	0	0	0	111.5	V238 P239 G246	V238-V242 HydrophobicContact CG1-CB 4.1Å; V238-V242 HydrophobicContact CG1-CG1 4.44Å; P239-V242 HydrophobicContact CB-CB 4.43Å; P239-V242 HydrophobicContact CB-CG2 3.8Å; P239-V242 HydrophobicContact CG-CG2 4.2Å; P239-V242 PolarHBondContact O-N 3.34Å; P239-V242 VanDerWaalsContact O-N 3.16Å; V242-G246 VanDerWaalsContact O-CA 3.28Å; V242-G246 WeakPolarHBondContact O-CA 3.3Å; V242-G246 PolarHBondContact O-N 3.09Å; V242-G246 VanDerWaalsContact O-N 3.08Å
243	G	91.3	Very high	86.9	Confident	31 Å²	31	58.7 Å²	58.7	32%	0.32	32%	0.32	S	S	.	.	H	α-helix	trans	70.3	-169.9	177.7	0	0	0	0	0	114.9	G246 Y247 R265	G243-G246 PolarHBondContact O-N 2.99Å; G243-Y247 WeakPolarHBondContact O-CB 3.44Å; G243-Y247 PolarHBondContact O-N 3.47Å; G243-R265 CarbonylContact C-O 3.57Å; G243-R265 VanDerWaalsContact CA-O 3.31Å; G243-R265 WeakPolarHBondContact CA-O 3.4Å
244	V	93.2	Very high	88.6	Confident	10 Å²	10	59 Å²	59	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-46.7	178.3	-178.7	0	0	0	0	111.6	Y247 V248 A255 I257 R265 L281 C283	V244-Y247 WeakPolarHBondContact O-CB 3.48Å; V244-Y247 PolarHBondContact O-N 2.83Å; V244-V248 WeakPolarHBondContact O-CG2 3.32Å; V244-V248 PolarHBondContact O-N 2.85Å; V244-A255 HydrophobicContact CG1-CB 4Å; V244-I257 HydrophobicContact CG1-CD1 4.04Å; V244-I257 HydrophobicContact CG2-CD1 3.87Å; V244-R265 HydrophobicContact CG2-CB 3.94Å; V244-R265 PolarHBondContact N-O 3.22Å; V244-L281 HydrophobicContact CG1-CD1 3.99Å; V244-C283 HydrophobicContact CG1-CB 3.91Å
245	T	93.2	Very high	90.1	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.086	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-40.9	-179	49.7	0	0	0	0	111.6	F198 V248 A249 V296 L298	F198-T245 HydrophobicContact CD2-CG2 3.77Å; F198-T245 HydrophobicContact CE2-CG2 3.73Å; F198-T245 HydrophobicContact CG-CG2 4.41Å; F198-T245 HydrophobicContact CZ-CG2 4.32Å; T245-V248 PolarHBondContact O-N 3.09Å; T245-A249 VanDerWaalsContact O-CB 3.32Å; T245-A249 WeakPolarHBondContact O-CB 3.33Å; T245-A249 PolarHBondContact O-N 3.39Å; T245-V296 HydrophobicContact CG2-CG1 4.29Å; T245-L298 HydrophobicContact CG2-CD2 4.29Å
246	G	92.4	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-38.8	173.1	0	0	0	0	0	113.3	V242 G243 A249 R250	V242-G246 VanDerWaalsContact O-CA 3.28Å; V242-G246 WeakPolarHBondContact O-CA 3.3Å; V242-G246 PolarHBondContact O-N 3.09Å; V242-G246 VanDerWaalsContact O-N 3.08Å; G243-G246 PolarHBondContact O-N 2.99Å; G246-A249 PolarHBondContact O-N 3.31Å; G246-R250 WeakPolarHBondContact O-CB 2.92Å; G246-R250 PolarHBondContact O-N 3.03Å
247	Y	94.2	Very high	91.8	Very high	65 Å²	65	48.1 Å²	48.1	26%	0.255	25%	0.252	S	S	.	.	H	α-helix	trans	-58.7	-52.6	172.7	170.6	-88.8	0	0	0	110.9	G243 V244 A249 R250 T251 R265	G243-Y247 WeakPolarHBondContact O-CB 3.44Å; G243-Y247 PolarHBondContact O-N 3.47Å; V244-Y247 WeakPolarHBondContact O-CB 3.48Å; V244-Y247 PolarHBondContact O-N 2.83Å; Y247-A249 VanDerWaalsContact C-N 3.34Å; Y247-A249 PolarHBondContact O-N 2.74Å; Y247-R250 PolarHBondContact O-N 3.28Å; Y247-T251 HydrophobicContact CD2-CG2 4.11Å; Y247-T251 HydrophobicContact CE1-CG2 4.32Å; Y247-T251 HydrophobicContact CE2-CG2 3.74Å; Y247-T251 PolarHBondContact O-N 3.19Å; Y247-T251 PolarHBondContact O-OG1 3.37Å; Y247-T251 VanDerWaalsContact O-OG1 3.07Å; Y247-R265 VanDerWaalsContact CE1-NH1 3.3Å
248	V	95.8	Very high	92.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-40.1	-179.4	170.7	0	0	0	0	111.6	V244 T245 R250 G252 D253 A255 C283 P285 V296	V244-V248 WeakPolarHBondContact O-CG2 3.32Å; V244-V248 PolarHBondContact O-N 2.85Å; T245-V248 PolarHBondContact O-N 3.09Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 3.07Å; V248-G252 WeakPolarHBondContact O-CA 3.18Å; V248-G252 PolarHBondContact O-N 3.43Å; V248-D253 WeakPolarHBondContact CG1-O 3.13Å; V248-D253 WeakPolarHBondContact CG2-O 3.49Å; V248-A255 HydrophobicContact CG2-CB 3.86Å; V248-C283 HydrophobicContact CG2-CB 3.97Å; V248-P285 HydrophobicContact CG1-CB 3.78Å; V248-P285 HydrophobicContact CG1-CG 4.02Å; V248-V296 HydrophobicContact CB-CG1 4.16Å; V248-V296 HydrophobicContact CG1-CG1 3.8Å; V248-V296 HydrophobicContact CG1-CG2 4.11Å
249	A	94.1	Very high	92.6	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-40.6	176.8	0	0	0	0	0	112.6	L211 F240 T245 G246 Y247 V296	L211-A249 HydrophobicContact CD1-CB 3.97Å; L211-A249 HydrophobicContact CD2-CB 3.95Å; L211-A249 HydrophobicContact CG-CB 4.37Å; F240-A249 HydrophobicContact CE2-CB 4Å; F240-A249 HydrophobicContact CZ-CB 4.38Å; T245-A249 VanDerWaalsContact O-CB 3.32Å; T245-A249 WeakPolarHBondContact O-CB 3.33Å; T245-A249 PolarHBondContact O-N 3.39Å; G246-A249 PolarHBondContact O-N 3.31Å; Y247-A249 VanDerWaalsContact C-N 3.34Å; Y247-A249 PolarHBondContact O-N 2.74Å; A249-V296 HydrophobicContact CB-CG2 3.76Å
250	R	93.1	Very high	92.9	Very high	127 Å²	127	45.9 Å²	45.9	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-76.6	-46.9	-178.8	-179.9	-167.7	59.3	-169.1	-8.7	112.7	F240 N241 G246 Y247 V248	F240-R250 HydrophobicContact CE1-CB 4.05Å; F240-R250 HydrophobicContact CE1-CG 4.39Å; F240-R250 HydrophobicContact CZ-CB 4.49Å; N241-R250 HydrophobicContact CB-CB 4.49Å; N241-R250 PolarHBondContact ND2-NH1 2.9Å; N241-R250 VanDerWaalsContact OD1-CD 3.3Å; N241-R250 WeakPolarHBondContact OD1-CD 3.49Å; N241-R250 PolarHBondContact OD1-NE 3.1Å; N241-R250 PolarHBondContact OD1-NH1 3.03Å; N241-R250 PolarHBondContact OD1-NH2 3.25Å; G246-R250 WeakPolarHBondContact O-CB 2.92Å; G246-R250 PolarHBondContact O-N 3.03Å; Y247-R250 PolarHBondContact O-N 3.28Å; V248-R250 VanDerWaalsContact C-N 3.35Å; V248-R250 PolarHBondContact O-N 3.07Å
251	T	94.5	Very high	93.3	Very high	50 Å²	50	47 Å²	47	31%	0.307	24%	0.243	S	C	.	.	H	α-helix	trans	-79.2	-28.3	-176.4	61.3	0	0	0	0	111.9	Y247 D253	Y247-T251 HydrophobicContact CD2-CG2 4.11Å; Y247-T251 HydrophobicContact CE1-CG2 4.32Å; Y247-T251 HydrophobicContact CE2-CG2 3.74Å; Y247-T251 PolarHBondContact O-N 3.19Å; Y247-T251 PolarHBondContact O-OG1 3.37Å; Y247-T251 VanDerWaalsContact O-OG1 3.07Å; T251-D253 PolarHBondContact O-N 3.15Å; T251-D253 PolarHBondContact OG1-N 3.06Å; T251-D253 VanDerWaalsContact OG1-N 3.12Å
252	G	93.9	Very high	93.6	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	25%	0.254	C	S	.	.			trans	69.5	14.1	-168.2	0	0	0	0	0	112.9	V248 P285 K287	V248-G252 WeakPolarHBondContact O-CA 3.18Å; V248-G252 PolarHBondContact O-N 3.43Å; G252-P285 VanDerWaalsContact O-CG 3.26Å; G252-P285 WeakPolarHBondContact O-CG 3.22Å; G252-K287 WeakPolarHBondContact O-CE 3.49Å; G252-K287 PolarHBondContact O-NZ 3.46Å
253	D	95.4	Very high	93.8	Very high	92 Å²	92	44.8 Å²	44.8	49%	0.492	24%	0.239	S	C	.	.			trans	-103	147	175.1	-63.6	-41.1	0	0	0	110.3	V248 T251	V248-D253 WeakPolarHBondContact CG1-O 3.13Å; V248-D253 WeakPolarHBondContact CG2-O 3.49Å; T251-D253 PolarHBondContact O-N 3.15Å; T251-D253 PolarHBondContact OG1-N 3.06Å; T251-D253 VanDerWaalsContact OG1-N 3.12Å
254	Y	96.2	Very high	93.9	Very high	114 Å²	114	49.4 Å²	49.4	45%	0.447	26%	0.263	S	S	.	.			trans	-73.2	159.6	176	72.7	-91.2	0	0	0	111.9	N256 L282 C283 M284 V338	Y254-N256 HydrophobicContact CD2-CB 4.42Å; Y254-N256 HydrophobicContact CE2-CB 4.28Å; Y254-L282 HydrophobicContact CD2-CD1 4.31Å; Y254-C283 CarbonylContact C-O 3.57Å; Y254-C283 VanDerWaalsContact CA-O 3.27Å; Y254-C283 WeakPolarHBondContact CA-O 3.27Å; Y254-C283 WeakPolarHBondContact CB-O 3.36Å; Y254-M284 WeakPolarHBondContact CB-SD 3.34Å; Y254-M284 HydrophobicContact CG-SD 4.25Å; Y254-V338 HydrophobicContact CD1-CG1 4.31Å; Y254-V338 HydrophobicContact CD2-CG1 3.97Å; Y254-V338 HydrophobicContact CE1-CG1 4.02Å; Y254-V338 HydrophobicContact CE2-CG1 3.65Å; Y254-V338 HydrophobicContact CE2-CG2 4.2Å; Y254-V338 HydrophobicContact CG-CG1 4.3Å
255	A	95.9	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.7	171.7	0	0	0	0	0	110.1	V244 V248 I257 L282 C283	V244-A255 HydrophobicContact CG1-CB 4Å; V248-A255 HydrophobicContact CG2-CB 3.86Å; A255-I257 HydrophobicContact CB-CD1 4.34Å; A255-L282 WeakPolarHBondContact O-CA 3.37Å; A255-C283 HydrophobicContact CB-CB 4.35Å; A255-C283 PolarHBondContact N-O 3Å; A255-C283 PolarHBondContact O-N 3.43Å
256	N	96.8	Very high	93.8	Very high	48 Å²	48	54.1 Å²	54.1	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.5	170.2	-174.5	3.7	0	0	0	108.7	Y254 L282 F333 V338	Y254-N256 HydrophobicContact CD2-CB 4.42Å; Y254-N256 HydrophobicContact CE2-CB 4.28Å; N256-L282 HydrophobicContact CB-CD1 3.76Å; N256-F333 PolarHBondContact ND2-O 3.5Å; N256-V338 HydrophobicContact CB-CG2 4.27Å
257	I	95.6	Very high	93.6	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	104.1	-173.8	-67.1	164.5	0	0	0	108.6	V244 A255 D259 D263 C280 L281	V244-I257 HydrophobicContact CG1-CD1 4.04Å; V244-I257 HydrophobicContact CG2-CD1 3.87Å; A255-I257 HydrophobicContact CB-CD1 4.34Å; I257-D259 VanDerWaalsContact CG2-O 3.24Å; I257-D259 WeakPolarHBondContact CG2-O 3.28Å; I257-D263 HydrophobicContact CD1-CB 3.91Å; I257-D263 VanDerWaalsContact CD1-OD2 3.29Å; I257-D263 WeakPolarHBondContact CD1-OD2 3.03Å; I257-D263 HydrophobicContact CG1-CB 4.24Å; I257-D263 WeakPolarHBondContact CG1-OD2 3.34Å; I257-D263 HydrophobicContact CG2-CB 3.72Å; I257-C280 CarbonylContact O-C 3.6Å; I257-C280 VanDerWaalsContact O-CA 3.29Å; I257-C280 WeakPolarHBondContact O-CA 3.48Å; I257-C280 WeakPolarHBondContact O-CB 3.38Å; I257-L281 HydrophobicContact CB-CD1 3.84Å; I257-L281 HydrophobicContact CB-CG 3.95Å; I257-L281 HydrophobicContact CD1-CD1 3.59Å; I257-L281 HydrophobicContact CD1-CG 4.33Å; I257-L281 HydrophobicContact CG1-CD1 4.08Å; I257-L281 HydrophobicContact CG2-CG 4.44Å; I257-L281 PolarHBondContact N-O 2.64Å; I257-L281 PolarHBondContact O-N 3.33Å
258	P	93.3	Very high	93.3	Very high	85 Å²	85	57.9 Å²	57.9	55%	0.552	30%	0.304	S	S	*	.	S	Bend	trans	-68.1	-30.8	-179	-22.9	34.3	0	0	0	114.3	C280	P258-C280 VanDerWaalsContact O-CB 3.24Å; P258-C280 WeakPolarHBondContact O-CB 3.46Å
259	D	92.7	Very high	92.8	Very high	85 Å²	85	59.8 Å²	59.8	46%	0.455	32%	0.318	S	S	.	.			trans	-129.7	105.6	174	-177.8	-2.2	0	0	0	109.1	I257 Y261 A262 R279	I257-D259 VanDerWaalsContact CG2-O 3.24Å; I257-D259 WeakPolarHBondContact CG2-O 3.28Å; D259-Y261 VanDerWaalsContact C-N 3.29Å; D259-Y261 PolarHBondContact O-N 3.39Å; D259-Y261 PolarHBondContact OD1-N 2.84Å; D259-Y261 VanDerWaalsContact OD1-N 3.11Å; D259-A262 HydrophobicContact CB-CB 3.87Å; D259-A262 PolarHBondContact O-N 3.41Å; D259-R279 CarbonylContact C-O 3.58Å; D259-R279 VanDerWaalsContact CA-O 3.28Å; D259-R279 WeakPolarHBondContact CA-O 3.47Å
260	A	91.6	Very high	92.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.1	-36.4	-176.7	0	0	0	0	0	112.2	A262 D263 F266 T278 R279 L281	A260-A262 PolarHBondContact O-N 3.18Å; A260-D263 PolarHBondContact O-N 3.2Å; A260-F266 HydrophobicContact CB-CD1 3.98Å; A260-F266 HydrophobicContact CB-CD2 4.09Å; A260-F266 HydrophobicContact CB-CE1 4.07Å; A260-F266 HydrophobicContact CB-CE2 4.19Å; A260-F266 HydrophobicContact CB-CG 4.01Å; A260-F266 HydrophobicContact CB-CZ 4.19Å; A260-F266 WeakPolarHBondContact O-CB 3.44Å; A260-F266 VanDerWaalsContact O-CD1 3.29Å; A260-F266 WeakPolarHBondContact O-CD1 3.36Å; A260-F266 WeakPolarHBondContact O-CG 3.24Å; A260-T278 HydrophobicContact CB-CG2 3.83Å; A260-T278 WeakPolarHBondContact CB-O 3.46Å; A260-R279 PolarHBondContact N-O 3.11Å; A260-L281 HydrophobicContact CB-CD2 4.08Å
261	Y	93.2	Very high	91.9	Very high	98 Å²	98	58.4 Å²	58.4	38%	0.384	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-75.7	-13.7	-179.3	-75.4	-101.5	0	0	0	112.6	D259 F266 D268 D271 K277 T278	D259-Y261 VanDerWaalsContact C-N 3.29Å; D259-Y261 PolarHBondContact O-N 3.39Å; D259-Y261 PolarHBondContact OD1-N 2.84Å; D259-Y261 VanDerWaalsContact OD1-N 3.11Å; Y261-F266 HydrophobicContact CD2-CE1 4.28Å; Y261-F266 HydrophobicContact CE2-CE1 4.05Å; Y261-D268 HydrophobicContact CE1-CB 3.85Å; Y261-D271 WeakPolarHBondContact CE2-OD2 3.46Å; Y261-D271 VanDerWaalsContact OH-CB 3.29Å; Y261-D271 WeakPolarHBondContact OH-CB 3.28Å; Y261-D271 PolarHBondContact OH-OD2 3.4Å; Y261-K277 HydrophobicContact CE2-CD 4.36Å; Y261-K277 HydrophobicContact CE2-CG 3.78Å; Y261-T278 WeakPolarHBondContact CD2-O 3.23Å; Y261-T278 VanDerWaalsContact CE2-O 3.25Å; Y261-T278 WeakPolarHBondContact CE2-O 3.45Å
262	A	91.7	Very high	91.6	Very high	72 Å²	72	63.8 Å²	63.8	60%	0.595	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-87.4	-14.5	172.7	0	0	0	0	0	113.3	D259 A260	D259-A262 HydrophobicContact CB-CB 3.87Å; D259-A262 PolarHBondContact O-N 3.41Å; A260-A262 PolarHBondContact O-N 3.18Å
263	D	92.8	Very high	91	Very high	25 Å²	25	69.7 Å²	69.7	13%	0.134	37%	0.371	C	S	.	.			trans	-91.7	120.6	179.8	-164.5	-66.4	0	0	0	111.2	I257 A260 R265 F266	I257-D263 HydrophobicContact CD1-CB 3.91Å; I257-D263 VanDerWaalsContact CD1-OD2 3.29Å; I257-D263 WeakPolarHBondContact CD1-OD2 3.03Å; I257-D263 HydrophobicContact CG1-CB 4.24Å; I257-D263 WeakPolarHBondContact CG1-OD2 3.34Å; I257-D263 HydrophobicContact CG2-CB 3.72Å; A260-D263 PolarHBondContact O-N 3.2Å; D263-R265 PolarHBondContact O-N 3.2Å; D263-R265 VanDerWaalsContact OD1-CB 3.23Å; D263-R265 WeakPolarHBondContact OD1-CB 3.33Å; D263-R265 IonicContact OD1-CZ 2.62Å; D263-R265 PolarHBondContact OD1-N 3.48Å; D263-R265 IonicContact OD1-NE 4Å; D263-R265 PolarHBondContact OD1-NE 3.44Å; D263-R265 IonicContact OD1-NH2 3.2Å; D263-R265 IonicContact OD2-CZ 3.87Å; D263-R265 IonicContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 3.65Å; D263-R265 PolarHBondContact OD2-NH2 3.38Å; D263-F266 WeakPolarHBondContact O-CB 3.32Å; D263-F266 PolarHBondContact O-N 3.08Å
264	P	92.5	Very high	90.5	Very high	129 Å²	129	69.3 Å²	69.3	84%	0.838	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.1	-176.5	27.8	-35.6	0	0	0	114.1
265	R	92.5	Very high	89.9	Confident	83 Å²	83	67.2 Å²	67.2	31%	0.313	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-9	176.7	-56.9	166.1	-70.8	-174	-3.4	112.4	G243 V244 Y247 D263	G243-R265 CarbonylContact C-O 3.57Å; G243-R265 VanDerWaalsContact CA-O 3.31Å; G243-R265 WeakPolarHBondContact CA-O 3.4Å; V244-R265 HydrophobicContact CG2-CB 3.94Å; V244-R265 PolarHBondContact N-O 3.22Å; Y247-R265 VanDerWaalsContact CE1-NH1 3.3Å; D263-R265 PolarHBondContact O-N 3.2Å; D263-R265 VanDerWaalsContact OD1-CB 3.23Å; D263-R265 WeakPolarHBondContact OD1-CB 3.33Å; D263-R265 IonicContact OD1-CZ 2.62Å; D263-R265 PolarHBondContact OD1-N 3.48Å; D263-R265 IonicContact OD1-NE 4Å; D263-R265 PolarHBondContact OD1-NE 3.44Å; D263-R265 IonicContact OD1-NH2 3.2Å; D263-R265 IonicContact OD2-CZ 3.87Å; D263-R265 IonicContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 3.65Å; D263-R265 PolarHBondContact OD2-NH2 3.38Å
266	F	92.1	Very high	89.6	Confident	40 Å²	40	69.4 Å²	69.4	18%	0.175	39%	0.393	C	S	.	.			trans	-79.5	131.7	177.3	178.8	-110.5	0	0	0	110.5	A260 Y261 D263 D268 T278 L281	A260-F266 HydrophobicContact CB-CD1 3.98Å; A260-F266 HydrophobicContact CB-CD2 4.09Å; A260-F266 HydrophobicContact CB-CE1 4.07Å; A260-F266 HydrophobicContact CB-CE2 4.19Å; A260-F266 HydrophobicContact CB-CG 4.01Å; A260-F266 HydrophobicContact CB-CZ 4.19Å; A260-F266 WeakPolarHBondContact O-CB 3.44Å; A260-F266 VanDerWaalsContact O-CD1 3.29Å; A260-F266 WeakPolarHBondContact O-CD1 3.36Å; A260-F266 WeakPolarHBondContact O-CG 3.24Å; Y261-F266 HydrophobicContact CD2-CE1 4.28Å; Y261-F266 HydrophobicContact CE2-CE1 4.05Å; D263-F266 WeakPolarHBondContact O-CB 3.32Å; D263-F266 PolarHBondContact O-N 3.08Å; F266-D268 HydrophobicContact CD1-CB 4.33Å; F266-D268 HydrophobicContact CE1-CB 3.78Å; F266-T278 HydrophobicContact CE2-CG2 3.83Å; F266-T278 HydrophobicContact CZ-CG2 3.97Å; F266-L281 HydrophobicContact CD2-CD2 3.7Å; F266-L281 HydrophobicContact CE2-CD2 4.09Å
267	D	87.5	Confident	89.3	Confident	99 Å²	99	73.5 Å²	73.5	53%	0.529	41%	0.408	S	S	.	.			trans	-104.3	113.6	173.4	177.3	20.5	0	0	0	109.6	S269	D267-S269 VanDerWaalsContact C-N 3.27Å; D267-S269 PolarHBondContact O-N 3.33Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 2.77Å; D267-S269 PolarHBondContact OD1-OG 2.86Å; D267-S269 WeakPolarHBondContact OD2-CB 3.42Å; D267-S269 PolarHBondContact OD2-OG 2.96Å
268	D	88.7	Confident	89.2	Confident	44 Å²	44	73.5 Å²	73.5	24%	0.235	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.4	-179.2	71.4	-30.2	0	0	0	113.2	Y261 F266 V270 D271 R272	Y261-D268 HydrophobicContact CE1-CB 3.85Å; F266-D268 HydrophobicContact CD1-CB 4.33Å; F266-D268 HydrophobicContact CE1-CB 3.78Å; D268-V270 VanDerWaalsContact C-N 3.29Å; D268-V270 PolarHBondContact O-N 3.21Å; D268-D271 PolarHBondContact O-N 2.8Å; D268-R272 WeakPolarHBondContact O-CG 3.4Å; D268-R272 PolarHBondContact O-N 2.86Å; D268-R272 IonicContact OD1-CZ 2.67Å; D268-R272 IonicContact OD1-NH1 3.31Å; D268-R272 PolarHBondContact OD1-NH1 3.33Å; D268-R272 IonicContact OD1-NH2 3.44Å; D268-R272 PolarHBondContact OD1-NH2 3.41Å; D268-R272 VanDerWaalsContact OD1-NH2 3.07Å; D268-R272 IonicContact OD2-CZ 3.51Å; D268-R272 IonicContact OD2-NH1 3.63Å; D268-R272 PolarHBondContact OD2-NH1 2.93Å
269	S	84.6	Confident	89.1	Confident	41 Å²	41	74 Å²	74	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-54	-43.6	175.9	67	0	0	0	0	112.7	D267 R272 V273	D267-S269 VanDerWaalsContact C-N 3.27Å; D267-S269 PolarHBondContact O-N 3.33Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 2.77Å; D267-S269 PolarHBondContact OD1-OG 2.86Å; D267-S269 WeakPolarHBondContact OD2-CB 3.42Å; D267-S269 PolarHBondContact OD2-OG 2.96Å; S269-R272 VanDerWaalsContact CA-NH2 3.35Å; S269-V273 WeakPolarHBondContact O-CG2 3.42Å; S269-V273 PolarHBondContact O-N 2.75Å
270	V	82	Confident	89.2	Confident	90 Å²	90	70.1 Å²	70.1	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-71.1	-40.3	-179.9	-177.8	0	0	0	0	111.5	D268 R272 V273 T274	D268-V270 VanDerWaalsContact C-N 3.29Å; D268-V270 PolarHBondContact O-N 3.21Å; V270-R272 VanDerWaalsContact C-N 3.33Å; V270-R272 PolarHBondContact O-N 2.93Å; V270-V273 PolarHBondContact O-N 2.99Å; V270-T274 HydrophobicContact CG1-CG2 4.01Å; V270-T274 WeakPolarHBondContact O-CB 3.3Å; V270-T274 WeakPolarHBondContact O-CG2 3.48Å; V270-T274 PolarHBondContact O-N 3.48Å; V270-T274 PolarHBondContact O-OG1 2.94Å
271	D	87.3	Confident	89.4	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.064	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-43.1	175.9	-82.3	27.3	0	0	0	111.1	Y261 D268 V273 G275 Y276 K277 T278	Y261-D271 WeakPolarHBondContact CE2-OD2 3.46Å; Y261-D271 VanDerWaalsContact OH-CB 3.29Å; Y261-D271 WeakPolarHBondContact OH-CB 3.28Å; Y261-D271 PolarHBondContact OH-OD2 3.4Å; D268-D271 PolarHBondContact O-N 2.8Å; D271-V273 VanDerWaalsContact C-N 3.32Å; D271-V273 PolarHBondContact O-N 3.09Å; D271-G275 WeakPolarHBondContact O-CA 3.38Å; D271-G275 PolarHBondContact O-N 2.75Å; D271-Y276 WeakPolarHBondContact CA-O 3.5Å; D271-Y276 WeakPolarHBondContact CB-O 3.46Å; D271-K277 WeakPolarHBondContact OD2-CA 3.39Å; D271-T278 PolarHBondContact OD1-OG1 2.81Å; D271-T278 WeakPolarHBondContact OD2-CB 3.34Å; D271-T278 PolarHBondContact OD2-N 3.42Å; D271-T278 PolarHBondContact OD2-OG1 3.27Å
272	R	87.5	Confident	89.6	Confident	163 Å²	163	65.6 Å²	65.6	62%	0.615	36%	0.362	S	S	*	.	H	α-helix	trans	-62.3	-37.2	177	-75.2	-170.8	-68	-101.7	-7.9	113	D268 S269 V270	D268-R272 WeakPolarHBondContact O-CG 3.4Å; D268-R272 PolarHBondContact O-N 2.86Å; D268-R272 IonicContact OD1-CZ 2.67Å; D268-R272 IonicContact OD1-NH1 3.31Å; D268-R272 PolarHBondContact OD1-NH1 3.33Å; D268-R272 IonicContact OD1-NH2 3.44Å; D268-R272 PolarHBondContact OD1-NH2 3.41Å; D268-R272 VanDerWaalsContact OD1-NH2 3.07Å; D268-R272 IonicContact OD2-CZ 3.51Å; D268-R272 IonicContact OD2-NH1 3.63Å; D268-R272 PolarHBondContact OD2-NH1 2.93Å; S269-R272 VanDerWaalsContact CA-NH2 3.35Å; V270-R272 VanDerWaalsContact C-N 3.33Å; V270-R272 PolarHBondContact O-N 2.93Å
273	V	81	Confident	89.8	Confident	131 Å²	131	62.2 Å²	62.2	79%	0.794	33%	0.333	S	S	*	.	H	α-helix	trans	-77.7	-42.2	-179.2	172.8	0	0	0	0	111.3	S269 V270 D271	S269-V273 WeakPolarHBondContact O-CG2 3.42Å; S269-V273 PolarHBondContact O-N 2.75Å; V270-V273 PolarHBondContact O-N 2.99Å; D271-V273 VanDerWaalsContact C-N 3.32Å; D271-V273 PolarHBondContact O-N 3.09Å
274	T	84.2	Confident	90	Very high	85 Å²	85	61.2 Å²	61.2	52%	0.521	33%	0.328	S	S	.	.	H	α-helix	trans	-85.5	-21.2	-174.6	59.5	0	0	0	0	113.3	V270 Y276	V270-T274 HydrophobicContact CG1-CG2 4.01Å; V270-T274 WeakPolarHBondContact O-CB 3.3Å; V270-T274 WeakPolarHBondContact O-CG2 3.48Å; V270-T274 PolarHBondContact O-N 3.48Å; V270-T274 PolarHBondContact O-OG1 2.94Å; T274-Y276 PolarHBondContact O-N 2.71Å; T274-Y276 PolarHBondContact OG1-N 2.91Å
275	G	85	Confident	90.2	Very high	70 Å²	70	55.6 Å²	55.6	72%	0.722	29%	0.291	S	S	*	.			trans	70.7	2	-169.3	0	0	0	0	0	113.6	D271	D271-G275 WeakPolarHBondContact O-CA 3.38Å; D271-G275 PolarHBondContact O-N 2.75Å
276	Y	88.3	Confident	90.4	Very high	50 Å²	50	51.6 Å²	51.6	20%	0.196	28%	0.276	C	S	.	.			trans	-87.2	120.4	176.4	-177.1	-90	0	0	0	109.2	D193 R194 D271 T274 I300 N301	D193-Y276 PolarHBondContact OD2-OH 3.35Å; R194-Y276 VanDerWaalsContact CD-CZ 3.45Å; D271-Y276 WeakPolarHBondContact CA-O 3.5Å; D271-Y276 WeakPolarHBondContact CB-O 3.46Å; T274-Y276 PolarHBondContact O-N 2.71Å; T274-Y276 PolarHBondContact OG1-N 2.91Å; Y276-I300 HydrophobicContact CD1-CD1 4.38Å; Y276-I300 HydrophobicContact CE1-CD1 3.6Å; Y276-I300 HydrophobicContact CE1-CG1 4.38Å; Y276-N301 VanDerWaalsContact CE1-ND2 3.32Å; Y276-N301 WeakPolarHBondContact CE1-ND2 3.5Å; Y276-N301 VanDerWaalsContact CZ-ND2 3.27Å; Y276-N301 PolarHBondContact OH-ND2 3.4Å
277	K	91.1	Very high	90.5	Very high	134 Å²	134	53.7 Å²	53.7	58%	0.583	29%	0.285	S	S	*	.			trans	-90.7	118.2	-178	-171.3	170.5	-176.8	173.6	0	111.8	Y261 D271 R279 N301	Y261-K277 HydrophobicContact CE2-CD 4.36Å; Y261-K277 HydrophobicContact CE2-CG 3.78Å; D271-K277 WeakPolarHBondContact OD2-CA 3.39Å; K277-R279 PolarHBondContact O-N 3.06Å; K277-N301 PolarHBondContact O-ND2 3.18Å
278	T	93.2	Very high	90.5	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.049	26%	0.264	C	S	.	.			trans	-77.6	109.2	169.7	-57	0	0	0	0	109.1	A260 Y261 F266 D271 L281 I300	A260-T278 HydrophobicContact CB-CG2 3.83Å; A260-T278 WeakPolarHBondContact CB-O 3.46Å; Y261-T278 WeakPolarHBondContact CD2-O 3.23Å; Y261-T278 VanDerWaalsContact CE2-O 3.25Å; Y261-T278 WeakPolarHBondContact CE2-O 3.45Å; F266-T278 HydrophobicContact CE2-CG2 3.83Å; F266-T278 HydrophobicContact CZ-CG2 3.97Å; D271-T278 PolarHBondContact OD1-OG1 2.81Å; D271-T278 WeakPolarHBondContact OD2-CB 3.34Å; D271-T278 PolarHBondContact OD2-N 3.42Å; D271-T278 PolarHBondContact OD2-OG1 3.27Å; T278-L281 HydrophobicContact CG2-CB 4.49Å; T278-L281 HydrophobicContact CG2-CD2 4.2Å; T278-I300 HydrophobicContact CG2-CB 4.16Å; T278-I300 HydrophobicContact CG2-CG2 4Å
279	R	92.5	Very high	90.4	Very high	96 Å²	96	53.3 Å²	53.3	36%	0.362	29%	0.288	S	S	.	.			trans	-90.1	-51.7	-178.9	-57	175.1	-68.1	-170.3	-1.3	111.3	D259 A260 K277 N301	D259-R279 CarbonylContact C-O 3.58Å; D259-R279 VanDerWaalsContact CA-O 3.28Å; D259-R279 WeakPolarHBondContact CA-O 3.47Å; A260-R279 PolarHBondContact N-O 3.11Å; K277-R279 PolarHBondContact O-N 3.06Å; R279-N301 WeakPolarHBondContact CA-OD1 3.12Å; R279-N301 VanDerWaalsContact CB-OD1 3.22Å; R279-N301 WeakPolarHBondContact CB-OD1 3.3Å; R279-N301 PolarHBondContact N-OD1 3.34Å; R279-N301 PolarHBondContact NE-OD1 2.96Å
280	C	93.7	Very high	90.5	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	31%	0.309	C	S	.	.			trans	-135.1	155.9	177.1	70.7	0	0	0	0	109.7	I257 P258 I300 N301 K302	I257-C280 CarbonylContact O-C 3.6Å; I257-C280 VanDerWaalsContact O-CA 3.29Å; I257-C280 WeakPolarHBondContact O-CA 3.48Å; I257-C280 WeakPolarHBondContact O-CB 3.38Å; P258-C280 VanDerWaalsContact O-CB 3.24Å; P258-C280 WeakPolarHBondContact O-CB 3.46Å; C280-I300 WeakPolarHBondContact O-CA 3.23Å; C280-N301 PolarHBondContact N-OD1 3.18Å; C280-N301 PolarHBondContact O-N 2.97Å; C280-K302 PolarHBondContact SG-N 2.97Å
281	L	95.5	Very high	90.9	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.1	177.9	64.2	82.8	0	0	0	112.2	V244 I257 A260 F266 T278 L298 V299 I300	V244-L281 HydrophobicContact CG1-CD1 3.99Å; I257-L281 HydrophobicContact CB-CD1 3.84Å; I257-L281 HydrophobicContact CB-CG 3.95Å; I257-L281 HydrophobicContact CD1-CD1 3.59Å; I257-L281 HydrophobicContact CD1-CG 4.33Å; I257-L281 HydrophobicContact CG1-CD1 4.08Å; I257-L281 HydrophobicContact CG2-CG 4.44Å; I257-L281 PolarHBondContact N-O 2.64Å; I257-L281 PolarHBondContact O-N 3.33Å; A260-L281 HydrophobicContact CB-CD2 4.08Å; F266-L281 HydrophobicContact CD2-CD2 3.7Å; F266-L281 HydrophobicContact CE2-CD2 4.09Å; T278-L281 HydrophobicContact CG2-CB 4.49Å; T278-L281 HydrophobicContact CG2-CD2 4.2Å; L281-L298 HydrophobicContact CB-CD1 4.1Å; L281-L298 HydrophobicContact CD1-CD1 4.01Å; L281-L298 HydrophobicContact CG-CD1 4.47Å; L281-V299 CarbonylContact C-O 3.51Å; L281-V299 WeakPolarHBondContact CA-O 3.39Å; L281-I300 HydrophobicContact CB-CG2 3.79Å
282	L	97.3	Very high	91.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.7	172.7	177.5	57.9	0	0	0	108.5	I190 Y254 A255 N256 V299 F333 V338 F341	I190-L282 HydrophobicContact CD1-CD2 4Å; Y254-L282 HydrophobicContact CD2-CD1 4.31Å; A255-L282 WeakPolarHBondContact O-CA 3.37Å; N256-L282 HydrophobicContact CB-CD1 3.76Å; L282-V299 HydrophobicContact CB-CG2 4.04Å; L282-V299 PolarHBondContact N-O 2.91Å; L282-V299 WeakPolarHBondContact O-CG2 3.39Å; L282-V299 PolarHBondContact O-N 3.25Å; L282-F333 HydrophobicContact CB-CB 4.21Å; L282-F333 HydrophobicContact CB-CD1 4.32Å; L282-F333 HydrophobicContact CB-CD2 3.57Å; L282-F333 HydrophobicContact CB-CE2 3.97Å; L282-F333 HydrophobicContact CB-CG 3.77Å; L282-F333 HydrophobicContact CD2-CB 4.05Å; L282-F333 HydrophobicContact CD2-CD1 4.28Å; L282-F333 HydrophobicContact CD2-CG 4.13Å; L282-V338 HydrophobicContact CD1-CG2 3.94Å; L282-V338 HydrophobicContact CD2-CG2 4.13Å; L282-F341 HydrophobicContact CD2-CD1 3.66Å; L282-F341 HydrophobicContact CD2-CE1 4.43Å; L282-F341 HydrophobicContact CG-CD1 3.78Å; L282-F341 HydrophobicContact CG-CE1 4.11Å
283	C	96.9	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.9	-174.1	-166.2	0	0	0	0	109.7	V244 V248 Y254 A255 V296 A297 L298	V244-C283 HydrophobicContact CG1-CB 3.91Å; V248-C283 HydrophobicContact CG2-CB 3.97Å; Y254-C283 CarbonylContact C-O 3.57Å; Y254-C283 VanDerWaalsContact CA-O 3.27Å; Y254-C283 WeakPolarHBondContact CA-O 3.27Å; Y254-C283 WeakPolarHBondContact CB-O 3.36Å; A255-C283 HydrophobicContact CB-CB 4.35Å; A255-C283 PolarHBondContact N-O 3Å; A255-C283 PolarHBondContact O-N 3.43Å; C283-V296 WeakPolarHBondContact SG-CG1 3.41Å; C283-A297 WeakPolarHBondContact CA-O 3.42Å; C283-L298 HydrophobicContact CB-CD1 3.73Å
284	M	97.3	Very high	92.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.1	-170.3	-163.7	71.6	74.8	0	0	111	Y254 A297 V338 F341 Q342 V345	Y254-M284 WeakPolarHBondContact CB-SD 3.34Å; Y254-M284 HydrophobicContact CG-SD 4.25Å; M284-A297 PolarHBondContact N-O 3.46Å; M284-A297 PolarHBondContact O-N 2.99Å; M284-V338 HydrophobicContact CE-CG1 4.29Å; M284-V338 WeakPolarHBondContact CE-O 3.33Å; M284-F341 HydrophobicContact CB-CD1 3.9Å; M284-F341 HydrophobicContact CB-CD2 4.19Å; M284-F341 HydrophobicContact CB-CE1 3.53Å; M284-F341 HydrophobicContact CB-CE2 3.81Å; M284-F341 HydrophobicContact CB-CG 4.22Å; M284-F341 HydrophobicContact CB-CZ 3.47Å; M284-F341 VanDerWaalsContact CB-CZ 3.47Å; M284-F341 HydrophobicContact CE-CB 3.73Å; M284-F341 HydrophobicContact CE-CD1 3.83Å; M284-F341 HydrophobicContact CE-CG 3.78Å; M284-F341 HydrophobicContact CG-CD1 4.44Å; M284-F341 HydrophobicContact CG-CD2 4.27Å; M284-F341 HydrophobicContact CG-CE1 4.48Å; M284-F341 HydrophobicContact CG-CE2 4.28Å; M284-F341 HydrophobicContact CG-CG 4.33Å; M284-F341 HydrophobicContact CG-CZ 4.39Å; M284-Q342 HydrophobicContact CE-CB 3.96Å; M284-Q342 HydrophobicContact SD-CB 4.21Å; M284-V345 HydrophobicContact CG-CB 4.48Å; M284-V345 HydrophobicContact CG-CG1 4.15Å; M284-V345 HydrophobicContact CG-CG2 3.65Å
285	P	96.9	Very high	92.5	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.071	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.3	175	29.8	-28.9	0	0	0	110.7	V248 G252 V293	V248-P285 HydrophobicContact CG1-CB 3.78Å; V248-P285 HydrophobicContact CG1-CG 4.02Å; G252-P285 VanDerWaalsContact O-CG 3.26Å; G252-P285 WeakPolarHBondContact O-CG 3.22Å; P285-V293 HydrophobicContact CB-CG1 4.35Å; P285-V293 HydrophobicContact CB-CG2 4.31Å
286	I	95.5	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.9	172.6	-63	169.2	0	0	0	107.4	I182 F197 V293 L294 G295 A297 V345 G349 L352	I182-I286 HydrophobicContact CG2-CD1 4.25Å; F197-I286 HydrophobicContact CD2-CD1 4.22Å; F197-I286 HydrophobicContact CE2-CD1 3.2Å; F197-I286 HydrophobicContact CZ-CD1 3.52Å; I286-V293 CarbonylContact O-C 3.55Å; I286-V293 WeakPolarHBondContact O-CA 3.16Å; I286-L294 PolarHBondContact O-N 3.26Å; I286-G295 PolarHBondContact N-O 3.24Å; I286-G295 PolarHBondContact O-N 3.39Å; I286-A297 HydrophobicContact CD1-CB 4.05Å; I286-V345 HydrophobicContact CG1-CB 4.1Å; I286-V345 HydrophobicContact CG1-CG1 4.06Å; I286-G349 VanDerWaalsContact CG2-CA 3.46Å; I286-L352 HydrophobicContact CG2-CD2 3.96Å
287	K	94.3	Very high	93.4	Very high	83 Å²	83	38.6 Å²	38.6	36%	0.361	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.8	-172.8	-59.8	-179.2	-175.6	-178.4	0	111.2	G252 K292 V293 G349	G252-K287 WeakPolarHBondContact O-CE 3.49Å; G252-K287 PolarHBondContact O-NZ 3.46Å; K287-K292 CarbonylContact C-O 3.47Å; K287-K292 VanDerWaalsContact CA-O 3.25Å; K287-K292 WeakPolarHBondContact CA-O 3.36Å; K287-V293 HydrophobicContact CG-CG2 4.18Å; K287-G349 VanDerWaalsContact O-CA 3.26Å; K287-G349 WeakPolarHBondContact O-CA 3.44Å
288	N	88.8	Confident	93.6	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.08	18%	0.178	C	C	.	.			trans	-76.2	-179.7	166.9	80.4	-17.9	0	0	0	111.1	D290 G291 K292 L294 H353	N288-D290 PolarHBondContact ND2-OD2 2.92Å; N288-D290 PolarHBondContact O-N 3.23Å; N288-D290 WeakPolarHBondContact OD1-CA 3.45Å; N288-D290 WeakPolarHBondContact OD1-CB 3.31Å; N288-D290 PolarHBondContact OD1-N 2.94Å; N288-G291 PolarHBondContact O-N 2.9Å; N288-G291 PolarHBondContact OD1-N 3.25Å; N288-K292 PolarHBondContact N-O 2.84Å; N288-K292 WeakPolarHBondContact OD1-CA 3.36Å; N288-K292 WeakPolarHBondContact OD1-CB 3.21Å; N288-K292 PolarHBondContact OD1-N 2.78Å; N288-K292 PolarHBondContact OD1-O 3.01Å; N288-L294 HydrophobicContact CB-CD1 3.9Å; N288-L294 HydrophobicContact CB-CD2 4.13Å; N288-L294 HydrophobicContact CB-CG 4.03Å; N288-H353 HydrophobicContact CB-CB 4.49Å
289	V	85.2	Confident	93.7	Very high	121 Å²	121	33.2 Å²	33.2	73%	0.733	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.4	178.4	-177.6	0	0	0	0	112.2	G291 I350	V289-G291 PolarHBondContact O-N 3.38Å; V289-I350 HydrophobicContact CG2-CG1 4.45Å
290	D	87.5	Confident	93.8	Very high	136 Å²	136	29.8 Å²	29.8	73%	0.727	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.8	177.3	-46.7	-53.3	0	0	0	113.4	N288 K292	N288-D290 PolarHBondContact ND2-OD2 2.92Å; N288-D290 PolarHBondContact O-N 3.23Å; N288-D290 WeakPolarHBondContact OD1-CA 3.45Å; N288-D290 WeakPolarHBondContact OD1-CB 3.31Å; N288-D290 PolarHBondContact OD1-N 2.94Å; D290-K292 VanDerWaalsContact C-N 3.32Å
291	G	90.1	Very high	93.8	Very high	42 Å²	42	29.8 Å²	29.8	43%	0.433	16%	0.164	S	C	.	.	S	Bend	trans	82.2	2	-177	0	0	0	0	0	115.1	N288 V289	N288-G291 PolarHBondContact O-N 2.9Å; N288-G291 PolarHBondContact OD1-N 3.25Å; V289-G291 PolarHBondContact O-N 3.38Å
292	K	92.8	Very high	93.7	Very high	124 Å²	124	31 Å²	31	54%	0.539	17%	0.169	S	C	.	.			trans	-67.7	131.5	173	-177.2	-176.2	177	-175.8	0	110.1	K287 N288 D290 L294	K287-K292 CarbonylContact C-O 3.47Å; K287-K292 VanDerWaalsContact CA-O 3.25Å; K287-K292 WeakPolarHBondContact CA-O 3.36Å; N288-K292 PolarHBondContact N-O 2.84Å; N288-K292 WeakPolarHBondContact OD1-CA 3.36Å; N288-K292 WeakPolarHBondContact OD1-CB 3.21Å; N288-K292 PolarHBondContact OD1-N 2.78Å; N288-K292 PolarHBondContact OD1-O 3.01Å; D290-K292 VanDerWaalsContact C-N 3.32Å; K292-L294 PolarHBondContact O-N 2.72Å
293	V	94.4	Very high	93.3	Very high	19 Å²	19	33.7 Å²	33.7	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120	174.8	-176.8	0	0	0	0	109.7	V200 P285 I286 K287 G295 V296	V200-V293 HydrophobicContact CG2-CG1 4.36Å; P285-V293 HydrophobicContact CB-CG1 4.35Å; P285-V293 HydrophobicContact CB-CG2 4.31Å; I286-V293 CarbonylContact O-C 3.55Å; I286-V293 WeakPolarHBondContact O-CA 3.16Å; K287-V293 HydrophobicContact CG-CG2 4.18Å; V293-G295 WeakPolarHBondContact CG1-O 3.44Å; V293-V296 HydrophobicContact CG1-CG2 4.4Å
294	L	93.2	Very high	92.5	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-26	175.9	-59.4	-176	0	0	0	112.2	V200 I286 N288 K292 L352 H353	V200-L294 PolarHBondContact N-O 3.3Å; I286-L294 PolarHBondContact O-N 3.26Å; N288-L294 HydrophobicContact CB-CD1 3.9Å; N288-L294 HydrophobicContact CB-CD2 4.13Å; N288-L294 HydrophobicContact CB-CG 4.03Å; K292-L294 PolarHBondContact O-N 2.72Å; L294-L352 HydrophobicContact CB-CD2 3.78Å; L294-L352 HydrophobicContact CB-CG 4.48Å; L294-L352 HydrophobicContact CD1-CB 4.36Å; L294-L352 HydrophobicContact CD1-CD2 4.33Å; L294-L352 HydrophobicContact CD1-CG 4.32Å; L294-H353 HydrophobicContact CD1-CB 3.76Å
295	G	93.9	Very high	91	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	177.4	-179	0	0	0	0	0	112.2	F198 I286 V293	F198-G295 CarbonylContact O-C 3.5Å; F198-G295 WeakPolarHBondContact O-CA 3.49Å; I286-G295 PolarHBondContact N-O 3.24Å; I286-G295 PolarHBondContact O-N 3.39Å; V293-G295 WeakPolarHBondContact CG1-O 3.44Å
296	V	95.3	Very high	89.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.8	-179.2	-179.6	0	0	0	0	108.8	F198 L211 T245 V248 A249 C283 V293	F198-V296 PolarHBondContact N-O 2.74Å; F198-V296 PolarHBondContact O-N 3.42Å; L211-V296 HydrophobicContact CD2-CG2 4.49Å; T245-V296 HydrophobicContact CG2-CG1 4.29Å; V248-V296 HydrophobicContact CB-CG1 4.16Å; V248-V296 HydrophobicContact CG1-CG1 3.8Å; V248-V296 HydrophobicContact CG1-CG2 4.11Å; A249-V296 HydrophobicContact CB-CG2 3.76Å; C283-V296 WeakPolarHBondContact SG-CG1 3.41Å; V293-V296 HydrophobicContact CG1-CG2 4.4Å
297	A	95.6	Very high	86.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.7	173	0	0	0	0	0	109.5	C283 M284 I286 F341	C283-A297 WeakPolarHBondContact CA-O 3.42Å; M284-A297 PolarHBondContact N-O 3.46Å; M284-A297 PolarHBondContact O-N 2.99Å; I286-A297 HydrophobicContact CD1-CB 4.05Å; A297-F341 HydrophobicContact CB-CE2 4.06Å; A297-F341 HydrophobicContact CB-CZ 3.71Å
298	L	95	Very high	84	Confident	28 Å²	28	58.9 Å²	58.9	15%	0.147	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131	179.6	175.7	67.5	0	0	0	108.9	G195 S196 F198 T245 L281 C283 I300	G195-L298 CarbonylContact C-O 3.4Å; G195-L298 WeakPolarHBondContact CA-O 3.35Å; S196-L298 PolarHBondContact N-O 3.05Å; S196-L298 PolarHBondContact O-N 3.15Å; F198-L298 HydrophobicContact CE2-CD2 4.48Å; T245-L298 HydrophobicContact CG2-CD2 4.29Å; L281-L298 HydrophobicContact CB-CD1 4.1Å; L281-L298 HydrophobicContact CD1-CD1 4.01Å; L281-L298 HydrophobicContact CG-CD1 4.47Å; C283-L298 HydrophobicContact CB-CD1 3.73Å; L298-I300 HydrophobicContact CD1-CG2 4.46Å; L298-I300 HydrophobicContact CG-CG2 4.23Å
299	V	95.8	Very high	81.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.5	171.1	-65.3	0	0	0	0	110.4	V186 I190 A192 R194 L281 L282 F333 F341	V186-V299 HydrophobicContact CB-CG1 4.44Å; V186-V299 HydrophobicContact CG1-CG1 3.74Å; V186-V299 HydrophobicContact CG1-CG2 4.39Å; I190-V299 HydrophobicContact CD1-CG2 3.53Å; I190-V299 HydrophobicContact CG1-CG2 4.49Å; A192-V299 HydrophobicContact CB-CB 3.79Å; A192-V299 HydrophobicContact CB-CG1 4.38Å; A192-V299 HydrophobicContact CB-CG2 4.28Å; R194-V299 WeakPolarHBondContact O-CA 3.19Å; L281-V299 CarbonylContact C-O 3.51Å; L281-V299 WeakPolarHBondContact CA-O 3.39Å; L282-V299 HydrophobicContact CB-CG2 4.04Å; L282-V299 PolarHBondContact N-O 2.91Å; L282-V299 WeakPolarHBondContact O-CG2 3.39Å; L282-V299 PolarHBondContact O-N 3.25Å; V299-F333 HydrophobicContact CG2-CE1 4.26Å; V299-F333 HydrophobicContact CG2-CZ 4.05Å; V299-F341 HydrophobicContact CG2-CD1 4.35Å; V299-F341 HydrophobicContact CG2-CE1 3.82Å
300	I	95	Very high	79.2	Confident	24 Å²	24	69.1 Å²	69.1	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.1	-171.7	66.6	-178	0	0	0	111.2	D193 R194 Y276 T278 C280 L281 L298	D193-I300 PolarHBondContact N-O 3.37Å; D193-I300 VanDerWaalsContact N-O 3.14Å; R194-I300 HydrophobicContact CB-CD1 4.05Å; R194-I300 HydrophobicContact CB-CG1 3.81Å; R194-I300 PolarHBondContact O-N 2.89Å; Y276-I300 HydrophobicContact CD1-CD1 4.38Å; Y276-I300 HydrophobicContact CE1-CD1 3.6Å; Y276-I300 HydrophobicContact CE1-CG1 4.38Å; T278-I300 HydrophobicContact CG2-CB 4.16Å; T278-I300 HydrophobicContact CG2-CG2 4Å; C280-I300 WeakPolarHBondContact O-CA 3.23Å; L281-I300 HydrophobicContact CB-CG2 3.79Å; L298-I300 HydrophobicContact CD1-CG2 4.46Å; L298-I300 HydrophobicContact CG-CG2 4.23Å
301	N	93.9	Very high	76.5	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	82	172.2	-73	-26.4	0	0	0	113.9	D193 Y276 K277 R279 C280 K303	D193-N301 HydrophobicContact CB-CB 3.86Å; D193-N301 WeakPolarHBondContact CB-O 3.34Å; D193-N301 PolarHBondContact N-O 2.96Å; Y276-N301 VanDerWaalsContact CE1-ND2 3.32Å; Y276-N301 WeakPolarHBondContact CE1-ND2 3.5Å; Y276-N301 VanDerWaalsContact CZ-ND2 3.27Å; Y276-N301 PolarHBondContact OH-ND2 3.4Å; K277-N301 PolarHBondContact O-ND2 3.18Å; R279-N301 WeakPolarHBondContact CA-OD1 3.12Å; R279-N301 VanDerWaalsContact CB-OD1 3.22Å; R279-N301 WeakPolarHBondContact CB-OD1 3.3Å; R279-N301 PolarHBondContact N-OD1 3.34Å; R279-N301 PolarHBondContact NE-OD1 2.96Å; C280-N301 PolarHBondContact N-OD1 3.18Å; C280-N301 PolarHBondContact O-N 2.97Å; N301-K303 PolarHBondContact O-N 3.3Å
302	K	93.9	Very high	73.7	Confident	27 Å²	27	74 Å²	74	12%	0.117	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	125.7	171.3	180	72.5	178.1	-170	0	109.9	I190 C280 A331 F333 D337	I190-K302 WeakPolarHBondContact O-CD 3.35Å; I190-K302 WeakPolarHBondContact O-CE 3.44Å; I190-K302 PolarHBondContact O-NZ 3.45Å; C280-K302 PolarHBondContact SG-N 2.97Å; K302-A331 HydrophobicContact CB-CB 4.22Å; K302-A331 HydrophobicContact CG-CB 3.8Å; K302-F333 HydrophobicContact CB-CD1 4.01Å; K302-F333 HydrophobicContact CB-CE1 3.85Å; K302-F333 HydrophobicContact CB-CE2 4.39Å; K302-F333 HydrophobicContact CB-CG 4.35Å; K302-F333 HydrophobicContact CB-CZ 4.06Å; K302-F333 HydrophobicContact CD-CD1 3.79Å; K302-F333 HydrophobicContact CD-CE1 3.86Å; K302-F333 HydrophobicContact CG-CD1 4.35Å; K302-F333 HydrophobicContact CG-CE1 4.44Å; K302-D337 IonicContact NZ-OD1 3.72Å; K302-D337 PolarHBondContact NZ-OD1 2.81Å; K302-D337 IonicContact NZ-OD2 3.19Å; K302-D337 PolarHBondContact NZ-OD2 3.41Å
303	K	87.9	Confident	70.8	Confident	57 Å²	57	74 Å²	74	25%	0.248	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-78	134.6	174.3	-71.5	168.5	168.4	156.7	0	108.9	N191 D193 N301	N191-K303 WeakPolarHBondContact ND2-CB 3.25Å; N191-K303 PolarHBondContact ND2-O 2.95Å; N191-K303 VanDerWaalsContact ND2-O 3.13Å; N191-K303 WeakPolarHBondContact O-CB 3.35Å; N191-K303 PolarHBondContact O-N 3.38Å; D193-K303 HydrophobicContact CB-CG 4.41Å; D193-K303 WeakPolarHBondContact OD1-CE 3.29Å; D193-K303 IonicContact OD1-NZ 2.65Å; D193-K303 PolarHBondContact OD1-NZ 3.32Å; N301-K303 PolarHBondContact O-N 3.3Å
304	V	79.4	Confident	67.8	Low	97 Å²	97	80.2 Å²	80.2	59%	0.588	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-65.4	133.1	172	-174.3	0	0	0	0	107.1	S306 A331	V304-S306 PolarHBondContact O-N 3.26Å; V304-S306 VanDerWaalsContact O-N 3.1Å; V304-A331 HydrophobicContact CG2-CB 3.99Å
305	P	67.2	Low	64.9	Low	87 Å²	87	86.4 Å²	86.4	57%	0.565	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-55.9	120.3	170.6	-16.9	29	0	0	0	107.8	D307	P305-D307 PolarHBondContact O-N 3.33Å
306	S	58.1	Low	61.9	Low	114 Å²	114	91.1 Å²	91.1	80%	0.797	49%	0.493	S	S	*	.			trans	-65.1	106.2	172.6	42.3	0	0	0	0	107.8	V304 Q308	V304-S306 PolarHBondContact O-N 3.26Å; V304-S306 VanDerWaalsContact O-N 3.1Å; S306-Q308 PolarHBondContact O-N 2.86Å
307	D	44.1	Very low	58.9	Low	140 Å²	140	97.2 Å²	97.2	75%	0.749	53%	0.53	S	S	*	.			trans	-51.7	124.3	177.8	-80.6	-35	0	0	0	110.1	P305 H309	P305-D307 PolarHBondContact O-N 3.33Å; D307-H309 PolarHBondContact O-N 2.88Å
308	Q	37.6	Very low	55.6	Low	190 Å²	190	106 Å²	106	89%	0.888	57%	0.571	S	S	*	*			trans	-66.2	79.8	161.4	-65.6	177.9	-4.4	0	0	108.4	S306	S306-Q308 PolarHBondContact O-N 2.86Å
309	H	38.8	Very low	53.2	Low	168 Å²	168	110.2 Å²	110.2	78%	0.778	60%	0.599	S	S	*	*			trans	-123.3	95.5	160.7	-84.1	-64.3	0	0	0	109.6	D307 D311	D307-H309 PolarHBondContact O-N 2.88Å; H309-D311 PolarHBondContact O-N 3.47Å
310	H	33.6	Very low	49.9	Very low	183 Å²	183	115.4 Å²	115.4	85%	0.847	64%	0.636	S	S	*	*			trans	-36.3	119.8	154.4	-100.6	-79	0	0	0	111.1
311	D	30.8	Very low	46.8	Very low	120 Å²	120	119.1 Å²	119.1	64%	0.642	66%	0.664	S	S	*	*				54.7	126.2	125.7	-146.2	19.2	0	0	0	118.7	H309	H309-D311 PolarHBondContact O-N 3.47Å
312	Q	30.5	Very low	43.5	Very low	159 Å²	159	124.1 Å²	124.1	74%	0.743	70%	0.698	S	S	*	*			trans	84.2	98	159.7	-52.5	172.6	25.4	0	0	118.5
313	S	33.8	Very low	40.3	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	73%	0.733	S	S	*	*				-173.3	128.3	101.7	43.9	0	0	0	0	112.5
314	I	30.8	Very low	37.5	Very low	151 Å²	151	134.5 Å²	134.5	77%	0.774	76%	0.761	S	S	*	*			trans	-80.9	129.8	173.6	-67.1	157.5	0	0	0	107.7
315	N	32	Very low	35.6	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	77%	0.774	S	S	*	*			trans	161.9	113.8	130.5	-90.5	-40.5	0	0	0	114.3
316	S	31.2	Very low	34	Very low	99 Å²	99	140 Å²	140	69%	0.692	79%	0.785	S	S	*	*				72	138	119.1	76.5	0	0	0	0	123.2
317	V	31.4	Very low	33.1	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	78%	0.781	S	S	*	*			trans	95.5	90.8	151.4	-163	0	0	0	0	119.3
318	Q	26.9	Very low	33.2	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	77%	0.773	S	S	*	*				52.5	152.4	124.7	-79.6	-158.8	-22.6	0	0	124.5
319	P	44.4	Very low	33.9	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	77%	0.771	S	S	*	*			trans	-107	143	-152.3	38.5	-27.4	0	0	0	113.6
320	S	27.2	Very low	35.1	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	76%	0.759	S	S	*	*			trans	-154.6	138.4	162.1	54.8	0	0	0	0	111.7
321	S	28.7	Very low	37.3	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	73%	0.731	S	S	*	*			trans	63.5	109.7	159.6	53	0	0	0	0	120
322	C	25.1	Very low	39.9	Very low	109 Å²	109	125.6 Å²	125.6	74%	0.736	72%	0.718	S	S	*	*				48	123.8	127.2	-25.8	0	0	0	0	119.5
323	E	27.8	Very low	43	Very low	184 Å²	184	118.2 Å²	118.2	86%	0.86	68%	0.683	S	S	*	*			trans	65.8	90.2	141.7	-62.9	176.3	-168	0	0	117.1
324	S	29.2	Very low	45.8	Very low	118 Å²	118	115.7 Å²	115.7	83%	0.825	66%	0.662	S	S	*	*			trans	-173.6	115.7	131.7	-75.1	0	0	0	0	109.2	S326	S324-S326 PolarHBondContact O-N 3.08Å
325	E	37.6	Very low	48.7	Very low	187 Å²	187	115.8 Å²	115.8	87%	0.874	66%	0.66	S	S	*	*			trans	-56.8	96.8	170.9	-68	165.7	137	0	0	110.8	I327	E325-I327 HydrophobicContact CB-CG1 4.43Å; E325-I327 PolarHBondContact O-N 3.37Å; E325-I327 VanDerWaalsContact O-N 3.07Å
326	S	34.1	Very low	51.4	Low	114 Å²	114	113.4 Å²	113.4	80%	0.797	64%	0.644	S	S	*	*			trans	-77.5	83.6	157.5	46.9	0	0	0	0	107.8	S324 S328	S324-S326 PolarHBondContact O-N 3.08Å; S326-S328 PolarHBondContact O-N 2.87Å
327	I	39.9	Very low	54.4	Low	139 Å²	139	109.1 Å²	109.1	71%	0.713	61%	0.613	S	S	*	*			trans	-49.3	102	169.9	-63.2	165	0	0	0	107.5	E325 K329	E325-I327 HydrophobicContact CB-CG1 4.43Å; E325-I327 PolarHBondContact O-N 3.37Å; E325-I327 VanDerWaalsContact O-N 3.07Å; I327-K329 VanDerWaalsContact C-N 3.27Å; I327-K329 PolarHBondContact O-N 3.41Å
328	S	46.1	Very low	57.4	Low	83 Å²	83	103.4 Å²	103.4	58%	0.58	58%	0.579	S	S	*	*			trans	-63.3	97	165.2	63.6	0	0	0	0	105.8	S326 H330	S326-S328 PolarHBondContact O-N 2.87Å; S328-H330 VanDerWaalsContact C-N 3.34Å; S328-H330 PolarHBondContact O-N 3.24Å
329	K	51.6	Low	60.6	Low	195 Å²	195	100 Å²	100	85%	0.848	56%	0.561	S	S	*	*			trans	-52.9	101.4	173.4	-93.5	179.6	172.2	178.1	0	107.6	I327	I327-K329 VanDerWaalsContact C-N 3.27Å; I327-K329 PolarHBondContact O-N 3.41Å
330	H	64.1	Low	62.8	Low	113 Å²	113	95.4 Å²	95.4	52%	0.523	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-61.6	141.3	170.1	-67.7	-51.9	0	0	0	108.3	S328 S332	S328-H330 VanDerWaalsContact C-N 3.34Å; S328-H330 PolarHBondContact O-N 3.24Å; H330-S332 PolarHBondContact O-N 3.31Å
331	A	79.3	Confident	66	Low	31 Å²	31	90.1 Å²	90.1	26%	0.256	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-64.4	127.4	178.2	0	0	0	0	0	109.6	K302 V304	K302-A331 HydrophobicContact CB-CB 4.22Å; K302-A331 HydrophobicContact CG-CB 3.8Å; V304-A331 HydrophobicContact CG2-CB 3.99Å
332	S	87.1	Confident	69	Low	51 Å²	51	90 Å²	90	36%	0.357	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-102.6	158.1	167.5	59	0	0	0	0	109.4	H330 T334	H330-S332 PolarHBondContact O-N 3.31Å; S332-T334 PolarHBondContact O-N 3.02Å
333	F	94	Very high	72.1	Confident	4 Å²	4	87.4 Å²	87.4	2%	0.018	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-64.6	127.3	173.8	-62.4	-76.6	0	0	0	110.4	I190 A192 N256 L282 V299 K302 D337	I190-F333 HydrophobicContact CD1-CD1 3.74Å; I190-F333 HydrophobicContact CD1-CE1 3.58Å; I190-F333 HydrophobicContact CG1-CE1 4.17Å; A192-F333 HydrophobicContact CB-CE1 4.02Å; A192-F333 HydrophobicContact CB-CZ 4.02Å; N256-F333 PolarHBondContact ND2-O 3.5Å; L282-F333 HydrophobicContact CB-CB 4.21Å; L282-F333 HydrophobicContact CB-CD1 4.32Å; L282-F333 HydrophobicContact CB-CD2 3.57Å; L282-F333 HydrophobicContact CB-CE2 3.97Å; L282-F333 HydrophobicContact CB-CG 3.77Å; L282-F333 HydrophobicContact CD2-CB 4.05Å; L282-F333 HydrophobicContact CD2-CD1 4.28Å; L282-F333 HydrophobicContact CD2-CG 4.13Å; V299-F333 HydrophobicContact CG2-CE1 4.26Å; V299-F333 HydrophobicContact CG2-CZ 4.05Å; K302-F333 HydrophobicContact CB-CD1 4.01Å; K302-F333 HydrophobicContact CB-CE1 3.85Å; K302-F333 HydrophobicContact CB-CE2 4.39Å; K302-F333 HydrophobicContact CB-CG 4.35Å; K302-F333 HydrophobicContact CB-CZ 4.06Å; K302-F333 HydrophobicContact CD-CD1 3.79Å; K302-F333 HydrophobicContact CD-CE1 3.86Å; K302-F333 HydrophobicContact CG-CD1 4.35Å; K302-F333 HydrophobicContact CG-CE1 4.44Å; F333-D337 HydrophobicContact CB-CB 4.25Å; F333-D337 HydrophobicContact CD1-CB 4.32Å
334	T	92.8	Very high	75.1	Confident	70 Å²	70	78.7 Å²	78.7	43%	0.429	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-82.6	166.6	-178.2	62.1	0	0	0	0	111.4	S332 E336 D337 V338	S332-T334 PolarHBondContact O-N 3.02Å; T334-E336 PolarHBondContact O-N 2.71Å; T334-E336 PolarHBondContact OG1-N 3.35Å; T334-D337 PolarHBondContact N-OD2 2.97Å; T334-D337 WeakPolarHBondContact O-CB 3.42Å; T334-D337 PolarHBondContact O-N 3.05Å; T334-D337 VanDerWaalsContact O-N 3.14Å; T334-D337 VanDerWaalsContact OG1-CG 3.25Å; T334-D337 PolarHBondContact OG1-N 3.41Å; T334-D337 PolarHBondContact OG1-OD2 2.95Å; T334-V338 WeakPolarHBondContact O-CG2 3.32Å; T334-V338 PolarHBondContact O-N 3.38Å; T334-V338 VanDerWaalsContact O-N 3.12Å
335	E	91.9	Very high	78	Confident	154 Å²	154	73.3 Å²	73.3	72%	0.72	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-26.5	171.3	-70	-173.1	178.3	0	0	112.6	V338 K339	E335-V338 WeakPolarHBondContact O-CB 3.48Å; E335-V338 PolarHBondContact O-N 3.39Å; E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 3.07Å; E335-K339 VanDerWaalsContact O-N 3.11Å
336	E	90.1	Very high	80.3	Confident	88 Å²	88	68.6 Å²	68.6	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-70.8	-41.9	174.8	-163.7	60.4	-163.8	0	0	111.4	T334 V338 K339 I340	T334-E336 PolarHBondContact O-N 2.71Å; T334-E336 PolarHBondContact OG1-N 3.35Å; E336-V338 PolarHBondContact O-N 3.46Å; E336-K339 PolarHBondContact O-N 3.04Å; E336-K339 VanDerWaalsContact O-N 3.11Å; E336-K339 IonicContact OE2-NZ 3.87Å; E336-I340 HydrophobicContact CG-CD1 4.2Å; E336-I340 WeakPolarHBondContact O-CG1 3.38Å; E336-I340 PolarHBondContact O-N 2.79Å
337	D	92.9	Very high	82.8	Confident	9 Å²	9	67.4 Å²	67.4	5%	0.048	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-39.5	172.7	-63.4	-53.7	0	0	0	111.6	I190 K302 F333 T334 F341	I190-D337 HydrophobicContact CB-CB 4.21Å; I190-D337 HydrophobicContact CG2-CB 4.14Å; K302-D337 IonicContact NZ-OD1 3.72Å; K302-D337 PolarHBondContact NZ-OD1 2.81Å; K302-D337 IonicContact NZ-OD2 3.19Å; K302-D337 PolarHBondContact NZ-OD2 3.41Å; F333-D337 HydrophobicContact CB-CB 4.25Å; F333-D337 HydrophobicContact CD1-CB 4.32Å; T334-D337 PolarHBondContact N-OD2 2.97Å; T334-D337 WeakPolarHBondContact O-CB 3.42Å; T334-D337 PolarHBondContact O-N 3.05Å; T334-D337 VanDerWaalsContact O-N 3.14Å; T334-D337 VanDerWaalsContact OG1-CG 3.25Å; T334-D337 PolarHBondContact OG1-N 3.41Å; T334-D337 PolarHBondContact OG1-OD2 2.95Å; D337-F341 VanDerWaalsContact O-CB 3.25Å; D337-F341 WeakPolarHBondContact O-CB 3.5Å; D337-F341 PolarHBondContact O-N 3.09Å
338	V	95.4	Very high	85.2	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-46.4	175.4	175.4	0	0	0	0	110.9	Y254 N256 L282 M284 T334 E335 E336 F341 Q342	Y254-V338 HydrophobicContact CD1-CG1 4.31Å; Y254-V338 HydrophobicContact CD2-CG1 3.97Å; Y254-V338 HydrophobicContact CE1-CG1 4.02Å; Y254-V338 HydrophobicContact CE2-CG1 3.65Å; Y254-V338 HydrophobicContact CE2-CG2 4.2Å; Y254-V338 HydrophobicContact CG-CG1 4.3Å; N256-V338 HydrophobicContact CB-CG2 4.27Å; L282-V338 HydrophobicContact CD1-CG2 3.94Å; L282-V338 HydrophobicContact CD2-CG2 4.13Å; M284-V338 HydrophobicContact CE-CG1 4.29Å; M284-V338 WeakPolarHBondContact CE-O 3.33Å; T334-V338 WeakPolarHBondContact O-CG2 3.32Å; T334-V338 PolarHBondContact O-N 3.38Å; T334-V338 VanDerWaalsContact O-N 3.12Å; E335-V338 WeakPolarHBondContact O-CB 3.48Å; E335-V338 PolarHBondContact O-N 3.39Å; E336-V338 PolarHBondContact O-N 3.46Å; V338-F341 PolarHBondContact O-N 2.64Å; V338-Q342 VanDerWaalsContact O-CB 3.23Å; V338-Q342 WeakPolarHBondContact O-CB 3.32Å; V338-Q342 PolarHBondContact O-N 3.38Å
339	K	92.8	Very high	87.3	Confident	114 Å²	114	56.8 Å²	56.8	50%	0.496	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-44.9	179.5	-71	173.6	-167	162.6	0	112.6	E335 E336 F341 Q342 S343	E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 3.07Å; E335-K339 VanDerWaalsContact O-N 3.11Å; E336-K339 PolarHBondContact O-N 3.04Å; E336-K339 VanDerWaalsContact O-N 3.11Å; E336-K339 IonicContact OE2-NZ 3.87Å; K339-F341 VanDerWaalsContact C-N 3.34Å; K339-F341 PolarHBondContact O-N 2.99Å; K339-Q342 PolarHBondContact O-N 3.17Å; K339-S343 VanDerWaalsContact O-CB 3.31Å; K339-S343 WeakPolarHBondContact O-CB 3.41Å; K339-S343 PolarHBondContact O-N 3.07Å
340	I	91.2	Very high	89.1	Confident	20 Å²	20	51.1 Å²	51.1	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-50.4	177.1	-68	164.3	0	0	0	109.6	E158 L189 I190 E336 Q342 S343 Y344	E158-I340 HydrophobicContact CG-CG1 4.4Å; E158-I340 VanDerWaalsContact OE1-CG1 3.3Å; E158-I340 WeakPolarHBondContact OE1-CG1 3.49Å; L189-I340 HydrophobicContact CB-CG2 4.07Å; I190-I340 HydrophobicContact CG2-CB 4.13Å; I190-I340 HydrophobicContact CG2-CG2 3.92Å; E336-I340 HydrophobicContact CG-CD1 4.2Å; E336-I340 WeakPolarHBondContact O-CG1 3.38Å; E336-I340 PolarHBondContact O-N 2.79Å; I340-Q342 PolarHBondContact O-N 3.14Å; I340-S343 PolarHBondContact O-N 2.95Å; I340-Y344 WeakPolarHBondContact O-CB 3.43Å; I340-Y344 PolarHBondContact O-N 3.26Å
341	F	93.9	Very high	90.2	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-44.5	-179	-169.4	-176.6	0	0	0	110.8	V186 I190 L282 M284 A297 V299 D337 V338 K339 S343 Y344 V345	V186-F341 HydrophobicContact CB-CD2 4.28Å; V186-F341 HydrophobicContact CB-CE2 4.06Å; V186-F341 HydrophobicContact CG1-CD1 4.01Å; V186-F341 HydrophobicContact CG1-CD2 3.54Å; V186-F341 HydrophobicContact CG1-CE1 3.92Å; V186-F341 HydrophobicContact CG1-CE2 3.45Å; V186-F341 VanDerWaalsContact CG1-CE2 3.45Å; V186-F341 HydrophobicContact CG1-CG 3.86Å; V186-F341 HydrophobicContact CG1-CZ 3.64Å; V186-F341 HydrophobicContact CG2-CD2 3.64Å; V186-F341 HydrophobicContact CG2-CE2 3.43Å; V186-F341 VanDerWaalsContact CG2-CE2 3.43Å; V186-F341 HydrophobicContact CG2-CZ 4.29Å; I190-F341 HydrophobicContact CD1-CD1 4.15Å; I190-F341 HydrophobicContact CG2-CB 4.47Å; L282-F341 HydrophobicContact CD2-CD1 3.66Å; L282-F341 HydrophobicContact CD2-CE1 4.43Å; L282-F341 HydrophobicContact CG-CD1 3.78Å; L282-F341 HydrophobicContact CG-CE1 4.11Å; M284-F341 HydrophobicContact CB-CD1 3.9Å; M284-F341 HydrophobicContact CB-CD2 4.19Å; M284-F341 HydrophobicContact CB-CE1 3.53Å; M284-F341 HydrophobicContact CB-CE2 3.81Å; M284-F341 HydrophobicContact CB-CG 4.22Å; M284-F341 HydrophobicContact CB-CZ 3.47Å; M284-F341 VanDerWaalsContact CB-CZ 3.47Å; M284-F341 HydrophobicContact CE-CB 3.73Å; M284-F341 HydrophobicContact CE-CD1 3.83Å; M284-F341 HydrophobicContact CE-CG 3.78Å; M284-F341 HydrophobicContact CG-CD1 4.44Å; M284-F341 HydrophobicContact CG-CD2 4.27Å; M284-F341 HydrophobicContact CG-CE1 4.48Å; M284-F341 HydrophobicContact CG-CE2 4.28Å; M284-F341 HydrophobicContact CG-CG 4.33Å; M284-F341 HydrophobicContact CG-CZ 4.39Å; A297-F341 HydrophobicContact CB-CE2 4.06Å; A297-F341 HydrophobicContact CB-CZ 3.71Å; V299-F341 HydrophobicContact CG2-CD1 4.35Å; V299-F341 HydrophobicContact CG2-CE1 3.82Å; D337-F341 VanDerWaalsContact O-CB 3.25Å; D337-F341 WeakPolarHBondContact O-CB 3.5Å; D337-F341 PolarHBondContact O-N 3.09Å; V338-F341 PolarHBondContact O-N 2.64Å; K339-F341 VanDerWaalsContact C-N 3.34Å; K339-F341 PolarHBondContact O-N 2.99Å; F341-S343 PolarHBondContact O-N 3.15Å; F341-Y344 PolarHBondContact O-N 3.37Å; F341-V345 HydrophobicContact CD2-CG1 3.58Å; F341-V345 HydrophobicContact CE2-CG1 3.37Å; F341-V345 HydrophobicContact CZ-CG1 4.48Å; F341-V345 WeakPolarHBondContact O-CG2 3.4Å; F341-V345 PolarHBondContact O-N 2.89Å
342	Q	92.6	Very high	90.7	Very high	99 Å²	99	44.4 Å²	44.4	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-43.2	178.5	-172.8	175.4	12.4	0	0	112.5	M284 V338 K339 I340 Y344 V345 T346	M284-Q342 HydrophobicContact CE-CB 3.96Å; M284-Q342 HydrophobicContact SD-CB 4.21Å; V338-Q342 VanDerWaalsContact O-CB 3.23Å; V338-Q342 WeakPolarHBondContact O-CB 3.32Å; V338-Q342 PolarHBondContact O-N 3.38Å; K339-Q342 PolarHBondContact O-N 3.17Å; I340-Q342 PolarHBondContact O-N 3.14Å; Q342-Y344 VanDerWaalsContact C-N 3.35Å; Q342-Y344 PolarHBondContact O-N 2.75Å; Q342-V345 VanDerWaalsContact O-CG2 3.32Å; Q342-V345 WeakPolarHBondContact O-CG2 3.25Å; Q342-T346 PolarHBondContact O-N 2.99Å; Q342-T346 PolarHBondContact O-OG1 3.11Å
343	S	89.1	Confident	90.9	Very high	54 Å²	54	44.6 Å²	44.6	38%	0.378	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-45.6	176.8	-175.1	0	0	0	0	111.1	K339 I340 F341 F347	K339-S343 VanDerWaalsContact O-CB 3.31Å; K339-S343 WeakPolarHBondContact O-CB 3.41Å; K339-S343 PolarHBondContact O-N 3.07Å; I340-S343 PolarHBondContact O-N 2.95Å; F341-S343 PolarHBondContact O-N 3.15Å; S343-F347 WeakPolarHBondContact O-CD2 3.32Å
344	Y	90.8	Very high	90.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-45.3	-179.2	-175	-112.4	0	0	0	113.5	I162 L165 I169 N185 V186 L189 I340 F341 Q342 T346 F347 C348	I162-Y344 HydrophobicContact CG2-CD2 4.31Å; L165-Y344 HydrophobicContact CB-CE2 3.57Å; L165-Y344 HydrophobicContact CD1-CE2 4.38Å; I169-Y344 HydrophobicContact CD1-CE1 4.01Å; I169-Y344 HydrophobicContact CD1-CE2 3.56Å; I169-Y344 WeakPolarHBondContact CD1-OH 3.28Å; N185-Y344 HydrophobicContact CB-CE1 3.93Å; N185-Y344 WeakPolarHBondContact CB-OH 3.29Å; N185-Y344 PolarHBondContact ND2-OH 3.35Å; V186-Y344 HydrophobicContact CG2-CD1 3.54Å; V186-Y344 HydrophobicContact CG2-CE1 3.77Å; L189-Y344 HydrophobicContact CD1-CD1 4.14Å; L189-Y344 HydrophobicContact CD1-CD2 3.88Å; L189-Y344 HydrophobicContact CD1-CE1 4.45Å; L189-Y344 HydrophobicContact CD1-CE2 4.24Å; L189-Y344 HydrophobicContact CD1-CG 3.81Å; I340-Y344 WeakPolarHBondContact O-CB 3.43Å; I340-Y344 PolarHBondContact O-N 3.26Å; F341-Y344 PolarHBondContact O-N 3.37Å; Q342-Y344 VanDerWaalsContact C-N 3.35Å; Q342-Y344 PolarHBondContact O-N 2.75Å; Y344-T346 PolarHBondContact O-N 3.31Å; Y344-F347 PolarHBondContact O-N 3.31Å; Y344-F347 VanDerWaalsContact O-N 3.17Å; Y344-C348 VanDerWaalsContact CE1-SG 3.55Å; Y344-C348 PolarHBondContact O-N 3.35Å; Y344-C348 PolarHBondContact O-SG 2.7Å
345	V	90.4	Very high	90.4	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.036	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-21.7	-178.6	-67.3	0	0	0	0	113.6	M284 I286 F341 Q342 F347 C348 G349	M284-V345 HydrophobicContact CG-CB 4.48Å; M284-V345 HydrophobicContact CG-CG1 4.15Å; M284-V345 HydrophobicContact CG-CG2 3.65Å; I286-V345 HydrophobicContact CG1-CB 4.1Å; I286-V345 HydrophobicContact CG1-CG1 4.06Å; F341-V345 HydrophobicContact CD2-CG1 3.58Å; F341-V345 HydrophobicContact CE2-CG1 3.37Å; F341-V345 HydrophobicContact CZ-CG1 4.48Å; F341-V345 WeakPolarHBondContact O-CG2 3.4Å; F341-V345 PolarHBondContact O-N 2.89Å; Q342-V345 VanDerWaalsContact O-CG2 3.32Å; Q342-V345 WeakPolarHBondContact O-CG2 3.25Å; V345-F347 VanDerWaalsContact C-N 3.29Å; V345-F347 PolarHBondContact O-N 3.45Å; V345-C348 WeakPolarHBondContact O-CB 3.26Å; V345-C348 PolarHBondContact O-N 3.39Å; V345-G349 PolarHBondContact O-N 2.75Å
346	T	87.1	Confident	90.1	Very high	88 Å²	88	39.5 Å²	39.5	54%	0.54	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-41.2	175.3	-57.3	0	0	0	0	110.9	Q342 Y344	Q342-T346 PolarHBondContact O-N 2.99Å; Q342-T346 PolarHBondContact O-OG1 3.11Å; Y344-T346 PolarHBondContact O-N 3.31Å
347	F	86.5	Confident	89.9	Confident	88 Å²	88	39.4 Å²	39.4	39%	0.386	20%	0.202	S	C	.	.	H	α-helix	trans	-72.8	-37.5	173.6	-61.2	-76.3	0	0	0	112.2	I162 A166 S343 Y344 V345 G349 I350 G351	I162-F347 HydrophobicContact CG2-CD2 4.17Å; I162-F347 HydrophobicContact CG2-CE2 3.98Å; A166-F347 HydrophobicContact CB-CB 3.98Å; A166-F347 HydrophobicContact CB-CD1 4.35Å; A166-F347 HydrophobicContact CB-CD2 4.38Å; A166-F347 HydrophobicContact CB-CG 3.99Å; S343-F347 WeakPolarHBondContact O-CD2 3.32Å; Y344-F347 PolarHBondContact O-N 3.31Å; Y344-F347 VanDerWaalsContact O-N 3.17Å; V345-F347 VanDerWaalsContact C-N 3.29Å; V345-F347 PolarHBondContact O-N 3.45Å; F347-G349 PolarHBondContact O-N 3.37Å; F347-I350 PolarHBondContact O-N 3.2Å; F347-G351 PolarHBondContact O-N 3.43Å
348	C	90.4	Very high	89.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-36.4	177.3	-57.8	0	0	0	0	111.9	I169 I182 Y344 V345 I350 G351 L352	I169-C348 VanDerWaalsContact CD1-SG 3.51Å; I182-C348 HydrophobicContact CD1-CB 3.79Å; I182-C348 HydrophobicContact CG1-CB 3.94Å; I182-C348 HydrophobicContact CG2-CB 4.23Å; Y344-C348 VanDerWaalsContact CE1-SG 3.55Å; Y344-C348 PolarHBondContact O-N 3.35Å; Y344-C348 PolarHBondContact O-SG 2.7Å; V345-C348 WeakPolarHBondContact O-CB 3.26Å; V345-C348 PolarHBondContact O-N 3.39Å; C348-I350 VanDerWaalsContact C-N 3.34Å; C348-I350 PolarHBondContact O-N 3.37Å; C348-G351 PolarHBondContact O-N 3.28Å; C348-L352 WeakPolarHBondContact O-CB 3.29Å; C348-L352 PolarHBondContact O-N 3.36Å
349	G	90.2	Very high	88.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-39.6	177	0	0	0	0	0	113.6	I286 K287 V345 F347 H353	I286-G349 VanDerWaalsContact CG2-CA 3.46Å; K287-G349 VanDerWaalsContact O-CA 3.26Å; K287-G349 WeakPolarHBondContact O-CA 3.44Å; V345-G349 PolarHBondContact O-N 2.75Å; F347-G349 PolarHBondContact O-N 3.37Å; G349-H353 VanDerWaalsContact O-CB 3.32Å; G349-H353 WeakPolarHBondContact O-CB 3.42Å; G349-H353 PolarHBondContact O-N 3.4Å
350	I	87.7	Confident	88	Confident	76 Å²	76	47.8 Å²	47.8	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-67.9	-48.6	175.8	-59.2	170.8	0	0	0	110.3	V289 F347 C348 L352 H353 N354	V289-I350 HydrophobicContact CG2-CG1 4.45Å; F347-I350 PolarHBondContact O-N 3.2Å; C348-I350 VanDerWaalsContact C-N 3.34Å; C348-I350 PolarHBondContact O-N 3.37Å; I350-L352 PolarHBondContact O-N 3.42Å; I350-H353 PolarHBondContact O-N 3.21Å; I350-N354 PolarHBondContact O-N 2.9Å; I350-N354 VanDerWaalsContact O-N 3.11Å
351	G	88.2	Confident	87.4	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-44.6	178.6	0	0	0	0	0	112.4	F347 C348 H353 N354 A355	F347-G351 PolarHBondContact O-N 3.43Å; C348-G351 PolarHBondContact O-N 3.28Å; G351-H353 PolarHBondContact O-N 3.14Å; G351-N354 PolarHBondContact O-N 3.11Å; G351-A355 PolarHBondContact O-N 3.46Å
352	L	90.7	Very high	86.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-41	179.7	-174.9	64.4	0	0	0	111.9	V175 L178 F197 L199 I286 L294 C348 I350 N354 A355 Q356	V175-L352 HydrophobicContact CG1-CD1 3.98Å; L178-L352 HydrophobicContact CD2-CB 4.35Å; L178-L352 HydrophobicContact CD2-CD1 4.33Å; F197-L352 HydrophobicContact CE1-CD2 4.44Å; F197-L352 HydrophobicContact CZ-CD2 3.77Å; L199-L352 HydrophobicContact CD2-CD1 3.92Å; L199-L352 HydrophobicContact CD2-CD2 4.13Å; L199-L352 HydrophobicContact CD2-CG 4.49Å; I286-L352 HydrophobicContact CG2-CD2 3.96Å; L294-L352 HydrophobicContact CB-CD2 3.78Å; L294-L352 HydrophobicContact CB-CG 4.48Å; L294-L352 HydrophobicContact CD1-CB 4.36Å; L294-L352 HydrophobicContact CD1-CD2 4.33Å; L294-L352 HydrophobicContact CD1-CG 4.32Å; C348-L352 WeakPolarHBondContact O-CB 3.29Å; C348-L352 PolarHBondContact O-N 3.36Å; I350-L352 PolarHBondContact O-N 3.42Å; L352-N354 VanDerWaalsContact C-N 3.32Å; L352-N354 PolarHBondContact O-N 3.09Å; L352-A355 PolarHBondContact O-N 3.33Å; L352-Q356 WeakPolarHBondContact O-CB 3.3Å; L352-Q356 WeakPolarHBondContact O-CG 3.46Å; L352-Q356 PolarHBondContact O-N 3.3Å
353	H	90.1	Very high	85.9	Confident	54 Å²	54	57.7 Å²	57.7	25%	0.25	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-45.1	175.3	-169.3	47.8	0	0	0	111.6	N288 L294 G349 I350 G351 Q356 I357	N288-H353 HydrophobicContact CB-CB 4.49Å; L294-H353 HydrophobicContact CD1-CB 3.76Å; G349-H353 VanDerWaalsContact O-CB 3.32Å; G349-H353 WeakPolarHBondContact O-CB 3.42Å; G349-H353 PolarHBondContact O-N 3.4Å; I350-H353 PolarHBondContact O-N 3.21Å; G351-H353 PolarHBondContact O-N 3.14Å; H353-Q356 PolarHBondContact O-N 3.07Å; H353-I357 WeakPolarHBondContact NE2-CD1 3.44Å; H353-I357 WeakPolarHBondContact O-CG1 3.11Å; H353-I357 PolarHBondContact O-N 3.09Å
354	N	87.9	Confident	85.1	Confident	81 Å²	81	59.2 Å²	59.2	43%	0.433	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-41.7	178.2	-69.2	-14	0	0	0	112.2	I350 G351 L352 I357 Y358	I350-N354 PolarHBondContact O-N 2.9Å; I350-N354 VanDerWaalsContact O-N 3.11Å; G351-N354 PolarHBondContact O-N 3.11Å; L352-N354 VanDerWaalsContact C-N 3.32Å; L352-N354 PolarHBondContact O-N 3.09Å; N354-I357 PolarHBondContact O-N 3.35Å; N354-Y358 WeakPolarHBondContact O-CB 3.17Å; N354-Y358 PolarHBondContact O-N 3.29Å
355	A	88.1	Confident	84.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-43.3	175.4	0	0	0	0	0	111.8	L173 V175 L178 G351 L352 Y358 E359	L173-A355 WeakPolarHBondContact O-CB 3.48Å; V175-A355 HydrophobicContact CG2-CB 3.75Å; L178-A355 HydrophobicContact CD2-CB 3.75Å; G351-A355 PolarHBondContact O-N 3.46Å; L352-A355 PolarHBondContact O-N 3.33Å; A355-Y358 PolarHBondContact O-N 3.01Å; A355-E359 PolarHBondContact O-N 3.41Å
356	Q	86.5	Confident	83.6	Confident	41 Å²	41	64.5 Å²	64.5	19%	0.192	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-42.5	175.9	-74.7	179.2	-36.1	0	0	112.5	V175 L352 H353 Y358 E359 Q360	V175-Q356 HydrophobicContact CG2-CG 4.04Å; L352-Q356 WeakPolarHBondContact O-CB 3.3Å; L352-Q356 WeakPolarHBondContact O-CG 3.46Å; L352-Q356 PolarHBondContact O-N 3.3Å; H353-Q356 PolarHBondContact O-N 3.07Å; Q356-Y358 VanDerWaalsContact C-N 3.29Å; Q356-Y358 PolarHBondContact O-N 3.37Å; Q356-E359 PolarHBondContact O-N 3.07Å; Q356-Q360 WeakPolarHBondContact O-CB 3.29Å; Q356-Q360 PolarHBondContact O-N 3.2Å
357	I	84.8	Confident	82.7	Confident	85 Å²	85	64 Å²	64	44%	0.436	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-42.9	174.6	-72.2	170.4	0	0	0	110.3	H353 N354 Q360 S361	H353-I357 WeakPolarHBondContact NE2-CD1 3.44Å; H353-I357 WeakPolarHBondContact O-CG1 3.11Å; H353-I357 PolarHBondContact O-N 3.09Å; N354-I357 PolarHBondContact O-N 3.35Å; I357-Q360 PolarHBondContact O-N 3.19Å; I357-S361 WeakPolarHBondContact O-CB 3.37Å; I357-S361 PolarHBondContact O-N 3.05Å
358	Y	84.8	Confident	82.2	Confident	98 Å²	98	63.2 Å²	63.2	38%	0.384	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-46.2	178.2	-179.3	-102.8	0	0	0	112	L173 N354 A355 Q356 S361 R362	L173-Y358 HydrophobicContact CB-CD1 3.81Å; L173-Y358 HydrophobicContact CB-CE1 4.23Å; L173-Y358 HydrophobicContact CB-CG 4.22Å; L173-Y358 HydrophobicContact CD1-CD1 4.27Å; L173-Y358 HydrophobicContact CD1-CD2 4.11Å; L173-Y358 HydrophobicContact CD1-CE1 4.39Å; L173-Y358 HydrophobicContact CD1-CE2 4.24Å; L173-Y358 HydrophobicContact CD1-CG 4.12Å; N354-Y358 WeakPolarHBondContact O-CB 3.17Å; N354-Y358 PolarHBondContact O-N 3.29Å; A355-Y358 PolarHBondContact O-N 3.01Å; Q356-Y358 VanDerWaalsContact C-N 3.29Å; Q356-Y358 PolarHBondContact O-N 3.37Å; Y358-S361 PolarHBondContact O-N 3.33Å; Y358-R362 VanDerWaalsContact CE1-CD 3.49Å; Y358-R362 HydrophobicContact CE1-CG 4.24Å; Y358-R362 WeakPolarHBondContact O-CG 3.39Å; Y358-R362 PolarHBondContact O-N 2.84Å
359	E	79.3	Confident	81.5	Confident	81 Å²	81	67.8 Å²	67.8	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-47.1	175.8	-173.9	178.3	-164.2	0	0	111.6	V175 A355 Q356 S361 R362 L363	V175-E359 WeakPolarHBondContact CG2-OE2 3.41Å; A355-E359 PolarHBondContact O-N 3.41Å; Q356-E359 PolarHBondContact O-N 3.07Å; E359-S361 PolarHBondContact O-N 2.68Å; E359-R362 PolarHBondContact O-N 3.28Å; E359-L363 HydrophobicContact CG-CD1 4.29Å; E359-L363 WeakPolarHBondContact O-CG 3.26Å; E359-L363 PolarHBondContact O-N 2.74Å
360	Q	76.9	Confident	80.7	Confident	128 Å²	128	69 Å²	69	60%	0.598	33%	0.331	S	S	*	.	H	α-helix	trans	-61	-44.2	177.4	-176.6	176.1	-9.8	0	0	111.8	Q356 I357 R362 L363 E364	Q356-Q360 WeakPolarHBondContact O-CB 3.29Å; Q356-Q360 PolarHBondContact O-N 3.2Å; I357-Q360 PolarHBondContact O-N 3.19Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.4Å; Q360-L363 PolarHBondContact O-N 3.29Å; Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 PolarHBondContact O-N 2.97Å
361	S	79.6	Confident	80.2	Confident	63 Å²	63	66.2 Å²	66.2	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-39.8	177	178.5	0	0	0	0	112.2	I357 Y358 E359 E364 T365	I357-S361 WeakPolarHBondContact O-CB 3.37Å; I357-S361 PolarHBondContact O-N 3.05Å; Y358-S361 PolarHBondContact O-N 3.33Å; E359-S361 PolarHBondContact O-N 2.68Å; S361-E364 PolarHBondContact O-N 3.3Å; S361-T365 WeakPolarHBondContact O-CB 3.46Å; S361-T365 PolarHBondContact O-N 2.91Å; S361-T365 PolarHBondContact O-OG1 3.29Å
362	R	80.2	Confident	79.7	Confident	156 Å²	156	69.5 Å²	69.5	59%	0.589	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-45.5	174.5	-76	-170.6	65.7	-169	-2.3	112.3	Y358 E359 Q360 E364 T365 Y366	Y358-R362 VanDerWaalsContact CE1-CD 3.49Å; Y358-R362 HydrophobicContact CE1-CG 4.24Å; Y358-R362 WeakPolarHBondContact O-CG 3.39Å; Y358-R362 PolarHBondContact O-N 2.84Å; E359-R362 PolarHBondContact O-N 3.28Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.4Å; R362-E364 VanDerWaalsContact C-N 3.34Å; R362-T365 PolarHBondContact O-N 3.48Å; R362-Y366 WeakPolarHBondContact O-CB 2.89Å; R362-Y366 PolarHBondContact O-N 2.93Å
363	L	74	Confident	79	Confident	109 Å²	109	72.6 Å²	72.6	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-64.5	-39	178	-70.4	173.1	0	0	0	111.8	E359 Q360 Y366 R367	E359-L363 HydrophobicContact CG-CD1 4.29Å; E359-L363 WeakPolarHBondContact O-CG 3.26Å; E359-L363 PolarHBondContact O-N 2.74Å; Q360-L363 PolarHBondContact O-N 3.29Å; L363-Y366 PolarHBondContact O-N 3.42Å; L363-R367 WeakPolarHBondContact O-CB 3.42Å; L363-R367 PolarHBondContact O-N 3.14Å
364	E	73.5	Confident	78.4	Confident	86 Å²	86	70.4 Å²	70.4	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-42.8	176.7	-177	148.2	-139.8	0	0	112.1	Q360 S361 R362 Y366 R367 N368	Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 PolarHBondContact O-N 2.97Å; S361-E364 PolarHBondContact O-N 3.3Å; R362-E364 VanDerWaalsContact C-N 3.34Å; E364-Y366 VanDerWaalsContact C-N 3.31Å; E364-Y366 PolarHBondContact O-N 2.99Å; E364-R367 PolarHBondContact O-N 2.94Å; E364-R367 IonicContact OE1-NH2 2.85Å; E364-R367 PolarHBondContact OE1-NH2 3.3Å; E364-N368 WeakPolarHBondContact O-CB 3.46Å; E364-N368 PolarHBondContact O-N 2.87Å; E364-N368 PolarHBondContact O-ND2 3Å
365	T	75.2	Confident	78	Confident	54 Å²	54	66.6 Å²	66.6	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-45.2	172.4	-59.3	0	0	0	0	110.8	S361 R362 N368 Q369	S361-T365 WeakPolarHBondContact O-CB 3.46Å; S361-T365 PolarHBondContact O-N 2.91Å; S361-T365 PolarHBondContact O-OG1 3.29Å; R362-T365 PolarHBondContact O-N 3.48Å; T365-N368 PolarHBondContact O-N 3.36Å; T365-Q369 WeakPolarHBondContact O-CG 3.22Å; T365-Q369 PolarHBondContact O-N 3.29Å
366	Y	73.4	Confident	77.7	Confident	63 Å²	63	71 Å²	71	25%	0.247	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-46	177.6	-177.4	-106.7	0	0	0	112.3	R362 L363 E364 N368 Q369 V370 F555 S556	R362-Y366 WeakPolarHBondContact O-CB 2.89Å; R362-Y366 PolarHBondContact O-N 2.93Å; L363-Y366 PolarHBondContact O-N 3.42Å; E364-Y366 VanDerWaalsContact C-N 3.31Å; E364-Y366 PolarHBondContact O-N 2.99Å; Y366-N368 VanDerWaalsContact C-N 3.3Å; Y366-N368 PolarHBondContact O-N 2.98Å; Y366-Q369 WeakPolarHBondContact O-CB 3.29Å; Y366-Q369 PolarHBondContact O-N 3.44Å; Y366-V370 HydrophobicContact CE1-CG2 3.98Å; Y366-V370 HydrophobicContact CE2-CG2 4.31Å; Y366-V370 PolarHBondContact O-N 2.95Å; Y366-F555 HydrophobicContact CE1-CD1 4.16Å; Y366-F555 AromaticContact CZ-CD1 3.95Å; Y366-F555 WeakPolarHBondContact OH-CD1 3.29Å; Y366-S556 WeakPolarHBondContact CE2-OG 3.4Å
367	R	69.2	Low	77.2	Confident	79 Å²	79	70.3 Å²	70.3	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-44.6	175.7	-173.5	-174.3	67.1	-170.1	-5.7	111.3	L363 E364 Q369 V370 L371	L363-R367 WeakPolarHBondContact O-CB 3.42Å; L363-R367 PolarHBondContact O-N 3.14Å; E364-R367 PolarHBondContact O-N 2.94Å; E364-R367 IonicContact OE1-NH2 2.85Å; E364-R367 PolarHBondContact OE1-NH2 3.3Å; R367-Q369 VanDerWaalsContact C-N 3.35Å; R367-Q369 PolarHBondContact O-N 3.41Å; R367-V370 PolarHBondContact O-N 3.46Å; R367-L371 HydrophobicContact CG-CD1 4.37Å; R367-L371 WeakPolarHBondContact O-CG 3.45Å; R367-L371 PolarHBondContact O-N 3.44Å
368	N	76.7	Confident	77	Confident	71 Å²	71	66.3 Å²	66.3	38%	0.38	31%	0.311	S	S	.	.	H	α-helix	trans	-65.9	-36.8	178.9	-68.1	-14.2	0	0	0	112	E364 T365 Y366 L371 L372	E364-N368 WeakPolarHBondContact O-CB 3.46Å; E364-N368 PolarHBondContact O-N 2.87Å; E364-N368 PolarHBondContact O-ND2 3Å; T365-N368 PolarHBondContact O-N 3.36Å; Y366-N368 VanDerWaalsContact C-N 3.3Å; Y366-N368 PolarHBondContact O-N 2.98Å; N368-L371 PolarHBondContact O-N 3.11Å; N368-L372 WeakPolarHBondContact O-CB 3.26Å; N368-L372 VanDerWaalsContact O-CG 3.27Å; N368-L372 WeakPolarHBondContact O-CG 3.06Å; N368-L372 PolarHBondContact O-N 3.44Å
369	Q	75	Confident	76.8	Confident	96 Å²	96	62.5 Å²	62.5	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-45.6	174.2	-74.3	173.3	-8.6	0	0	112	T365 Y366 R367 L371 L372 E373	T365-Q369 WeakPolarHBondContact O-CG 3.22Å; T365-Q369 PolarHBondContact O-N 3.29Å; Y366-Q369 WeakPolarHBondContact O-CB 3.29Å; Y366-Q369 PolarHBondContact O-N 3.44Å; R367-Q369 VanDerWaalsContact C-N 3.35Å; R367-Q369 PolarHBondContact O-N 3.41Å; Q369-L371 VanDerWaalsContact C-N 3.34Å; Q369-L371 PolarHBondContact O-N 2.86Å; Q369-L372 PolarHBondContact O-N 3.3Å; Q369-E373 WeakPolarHBondContact O-CB 3.48Å; Q369-E373 PolarHBondContact O-N 2.98Å
370	V	74.3	Confident	76.7	Confident	24 Å²	24	61.6 Å²	61.6	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-44.8	176.9	174.9	0	0	0	0	110.6	Y366 R367 E373 L374 L399	Y366-V370 HydrophobicContact CE1-CG2 3.98Å; Y366-V370 HydrophobicContact CE2-CG2 4.31Å; Y366-V370 PolarHBondContact O-N 2.95Å; R367-V370 PolarHBondContact O-N 3.46Å; V370-E373 PolarHBondContact O-N 3.15Å; V370-L374 HydrophobicContact CG1-CD1 3.98Å; V370-L374 HydrophobicContact CG1-CG 4.42Å; V370-L374 WeakPolarHBondContact O-CB 3.28Å; V370-L374 WeakPolarHBondContact O-CG 3.31Å; V370-L374 PolarHBondContact O-N 2.65Å; V370-L399 HydrophobicContact CG1-CD1 3.98Å
371	L	75.7	Confident	76.5	Confident	18 Å²	18	57.4 Å²	57.4	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-41.6	178.5	-71.1	173.2	0	0	0	113	R367 N368 Q369 L374 A375 A609 F613	R367-L371 HydrophobicContact CG-CD1 4.37Å; R367-L371 WeakPolarHBondContact O-CG 3.45Å; R367-L371 PolarHBondContact O-N 3.44Å; N368-L371 PolarHBondContact O-N 3.11Å; Q369-L371 VanDerWaalsContact C-N 3.34Å; Q369-L371 PolarHBondContact O-N 2.86Å; L371-L374 PolarHBondContact O-N 3.17Å; L371-A375 WeakPolarHBondContact O-CB 3.37Å; L371-A375 PolarHBondContact O-N 3.09Å; L371-A609 HydrophobicContact CD1-CB 3.91Å; L371-A609 HydrophobicContact CD2-CB 3.76Å; L371-F613 HydrophobicContact CB-CE2 4.22Å; L371-F613 HydrophobicContact CD2-CE2 4.5Å
372	L	78.7	Confident	76.2	Confident	73 Å²	73	56.7 Å²	56.7	38%	0.382	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-38.8	177.6	-71.6	172.7	0	0	0	112.1	L103 N368 Q369 A375 R376	L103-L372 HydrophobicContact CD2-CD2 4.02Å; N368-L372 WeakPolarHBondContact O-CB 3.26Å; N368-L372 VanDerWaalsContact O-CG 3.27Å; N368-L372 WeakPolarHBondContact O-CG 3.06Å; N368-L372 PolarHBondContact O-N 3.44Å; Q369-L372 PolarHBondContact O-N 3.3Å; L372-A375 PolarHBondContact O-N 2.89Å; L372-R376 PolarHBondContact O-N 3.43Å
373	E	75.8	Confident	76	Confident	65 Å²	65	54.5 Å²	54.5	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.2	-176.8	59.3	-168.5	0	0	111.5	Q369 V370 R376 I377	Q369-E373 WeakPolarHBondContact O-CB 3.48Å; Q369-E373 PolarHBondContact O-N 2.98Å; V370-E373 PolarHBondContact O-N 3.15Å; E373-R376 WeakPolarHBondContact O-CB 3.49Å; E373-R376 PolarHBondContact O-N 3.41Å; E373-R376 IonicContact OE1-CZ 3.57Å; E373-R376 IonicContact OE1-NE 3.58Å; E373-R376 PolarHBondContact OE1-NE 3.18Å; E373-R376 IonicContact OE1-NH2 2.86Å; E373-R376 PolarHBondContact OE1-NH2 3.32Å; E373-R376 IonicContact OE2-CZ 3.41Å; E373-R376 IonicContact OE2-NE 3.07Å; E373-R376 PolarHBondContact OE2-NE 3.03Å; E373-R376 IonicContact OE2-NH2 2.69Å; E373-I377 HydrophobicContact CG-CD1 4.47Å; E373-I377 WeakPolarHBondContact O-CG1 3.32Å; E373-I377 PolarHBondContact O-N 2.85Å; E373-I377 VanDerWaalsContact O-N 3.12Å
374	L	77.4	Confident	76.4	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-44	172.7	-72.7	174.4	0	0	0	112	V370 L371 R376 I377 I378 H395 L399 F610	V370-L374 HydrophobicContact CG1-CD1 3.98Å; V370-L374 HydrophobicContact CG1-CG 4.42Å; V370-L374 WeakPolarHBondContact O-CB 3.28Å; V370-L374 WeakPolarHBondContact O-CG 3.31Å; V370-L374 PolarHBondContact O-N 2.65Å; L371-L374 PolarHBondContact O-N 3.17Å; L374-R376 VanDerWaalsContact C-N 3.3Å; L374-R376 PolarHBondContact O-N 2.89Å; L374-I377 PolarHBondContact O-N 2.85Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.14Å; L374-H395 HydrophobicContact CD2-CB 3.74Å; L374-H395 WeakPolarHBondContact CD2-CD2 3.4Å; L374-L399 HydrophobicContact CD1-CD1 4.38Å; L374-L399 HydrophobicContact CD1-CD2 3.85Å; L374-F610 HydrophobicContact CB-CD2 3.81Å; L374-F610 HydrophobicContact CB-CE2 3.78Å; L374-F610 HydrophobicContact CD1-CD2 3.6Å; L374-F610 HydrophobicContact CD1-CE2 3.97Å; L374-F610 HydrophobicContact CD1-CG 4.27Å; L374-F610 HydrophobicContact CD2-CD2 4.37Å; L374-F610 HydrophobicContact CD2-CE2 3.87Å; L374-F610 HydrophobicContact CG-CD2 4.13Å; L374-F610 HydrophobicContact CG-CE2 4.08Å
375	A	80.1	Confident	77	Confident	1 Å²	1	49 Å²	49	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-42	175	0	0	0	0	0	111.4	L103 L371 L372 I377 I378 F379 F613	L103-A375 HydrophobicContact CD1-CB 4.3Å; L371-A375 WeakPolarHBondContact O-CB 3.37Å; L371-A375 PolarHBondContact O-N 3.09Å; L372-A375 PolarHBondContact O-N 2.89Å; A375-I377 VanDerWaalsContact C-N 3.32Å; A375-I377 PolarHBondContact O-N 3.1Å; A375-I378 PolarHBondContact O-N 3.46Å; A375-F379 HydrophobicContact CB-CD2 4.39Å; A375-F379 HydrophobicContact CB-CE2 4.17Å; A375-F379 WeakPolarHBondContact O-CD2 3.36Å; A375-F379 WeakPolarHBondContact O-CG 3.36Å; A375-F379 PolarHBondContact O-N 3.18Å; A375-F613 HydrophobicContact CB-CD1 3.64Å; A375-F613 HydrophobicContact CB-CD2 4.31Å; A375-F613 HydrophobicContact CB-CE1 3.83Å; A375-F613 HydrophobicContact CB-CE2 4.47Å; A375-F613 HydrophobicContact CB-CG 3.9Å; A375-F613 HydrophobicContact CB-CZ 4.25Å
376	R	80.6	Confident	77.5	Confident	93 Å²	93	48.3 Å²	48.3	35%	0.351	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-45	176.7	-171.1	-177.7	74.3	88.2	1.3	111.7	L103 L372 E373 L374 S380	L103-R376 HydrophobicContact CD1-CB 4.02Å; L372-R376 PolarHBondContact O-N 3.43Å; E373-R376 WeakPolarHBondContact O-CB 3.49Å; E373-R376 PolarHBondContact O-N 3.41Å; E373-R376 IonicContact OE1-CZ 3.57Å; E373-R376 IonicContact OE1-NE 3.58Å; E373-R376 PolarHBondContact OE1-NE 3.18Å; E373-R376 IonicContact OE1-NH2 2.86Å; E373-R376 PolarHBondContact OE1-NH2 3.32Å; E373-R376 IonicContact OE2-CZ 3.41Å; E373-R376 IonicContact OE2-NE 3.07Å; E373-R376 PolarHBondContact OE2-NE 3.03Å; E373-R376 IonicContact OE2-NH2 2.69Å; L374-R376 VanDerWaalsContact C-N 3.3Å; L374-R376 PolarHBondContact O-N 2.89Å; R376-S380 PolarHBondContact O-N 3.12Å
377	I	76.4	Confident	78.1	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-45.4	-179	-63.8	168	0	0	0	110.7	E373 L374 A375 F379 S380 S391 H395 F563	E373-I377 HydrophobicContact CG-CD1 4.47Å; E373-I377 WeakPolarHBondContact O-CG1 3.32Å; E373-I377 PolarHBondContact O-N 2.85Å; E373-I377 VanDerWaalsContact O-N 3.12Å; L374-I377 PolarHBondContact O-N 2.85Å; A375-I377 VanDerWaalsContact C-N 3.32Å; A375-I377 PolarHBondContact O-N 3.1Å; I377-F379 VanDerWaalsContact C-N 3.33Å; I377-F379 PolarHBondContact O-N 2.99Å; I377-S380 PolarHBondContact O-N 3.18Å; I377-S380 VanDerWaalsContact O-N 3.15Å; I377-S380 PolarHBondContact O-OG 3.47Å; I377-S391 WeakPolarHBondContact CG2-OG 3.38Å; I377-H395 WeakPolarHBondContact CD1-NE2 3.38Å; I377-F563 HydrophobicContact CD1-CD1 4.27Å
378	I	80.6	Confident	79	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-56.4	-47.5	175.6	-70.6	171	0	0	0	110.8	L374 A375 S380 E381 L388 V392 F610 F613 V614	L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.14Å; A375-I378 PolarHBondContact O-N 3.46Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.46Å; I378-E381 PolarHBondContact O-N 2.75Å; I378-L388 HydrophobicContact CB-CD1 4.29Å; I378-L388 HydrophobicContact CG2-CD1 3.82Å; I378-L388 WeakPolarHBondContact O-CD1 3.47Å; I378-V392 HydrophobicContact CG1-CG2 4.33Å; I378-F610 HydrophobicContact CD1-CD2 4.02Å; I378-F610 HydrophobicContact CD1-CE2 3.43Å; I378-F610 VanDerWaalsContact CD1-CE2 3.43Å; I378-F610 HydrophobicContact CD1-CZ 4.06Å; I378-F610 HydrophobicContact CG1-CE2 4.24Å; I378-F613 HydrophobicContact CD1-CB 3.73Å; I378-V614 HydrophobicContact CD1-CB 4.5Å; I378-V614 HydrophobicContact CD1-CG2 3.68Å
379	F	79.3	Confident	79.6	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.075	22%	0.219	C	C	.	.	H	α-helix	trans	-73.4	-17.6	-178.9	-66.9	-52.6	0	0	0	114.2	L103 A375 I377 E381 F613 L616	L103-F379 HydrophobicContact CD1-CD2 4.32Å; A375-F379 HydrophobicContact CB-CD2 4.39Å; A375-F379 HydrophobicContact CB-CE2 4.17Å; A375-F379 WeakPolarHBondContact O-CD2 3.36Å; A375-F379 WeakPolarHBondContact O-CG 3.36Å; A375-F379 PolarHBondContact O-N 3.18Å; I377-F379 VanDerWaalsContact C-N 3.33Å; I377-F379 PolarHBondContact O-N 2.99Å; F379-E381 VanDerWaalsContact C-N 3.34Å; F379-F613 HydrophobicContact CE2-CD1 4.4Å; F379-L616 HydrophobicContact CE1-CB 4.43Å; F379-L616 HydrophobicContact CE1-CD2 4.06Å; F379-L616 HydrophobicContact CE1-CG 3.93Å; F379-L616 HydrophobicContact CZ-CB 4.4Å; F379-L616 HydrophobicContact CZ-CD2 3.69Å; F379-L616 HydrophobicContact CZ-CG 4.02Å
380	S	78.9	Confident	80.3	Confident	63 Å²	63	40.6 Å²	40.6	44%	0.441	20%	0.199	S	C	.	.	H	α-helix	trans	-71.4	-27.2	172.8	70.5	0	0	0	0	113.4	R376 I377 I378	R376-S380 PolarHBondContact O-N 3.12Å; I377-S380 PolarHBondContact O-N 3.18Å; I377-S380 VanDerWaalsContact O-N 3.15Å; I377-S380 PolarHBondContact O-OG 3.47Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.46Å
381	E	71.8	Confident	80.9	Confident	39 Å²	39	40.1 Å²	40.1	18%	0.182	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	17.3	-172.7	-60.9	-67.8	-170.1	0	0	113.9	I378 F379 L383 D384 R387 L388	I378-E381 PolarHBondContact O-N 2.75Å; F379-E381 VanDerWaalsContact C-N 3.34Å; E381-L383 PolarHBondContact O-N 3.42Å; E381-D384 PolarHBondContact O-N 3.14Å; E381-R387 HydrophobicContact CG-CG 4.38Å; E381-R387 IonicContact OE1-CZ 3.74Å; E381-R387 IonicContact OE1-NE 3.38Å; E381-R387 PolarHBondContact OE1-NE 3.06Å; E381-R387 IonicContact OE1-NH2 2.91Å; E381-R387 PolarHBondContact OE1-NH2 3.02Å; E381-R387 WeakPolarHBondContact OE2-CD 3.38Å; E381-R387 IonicContact OE2-CZ 3.89Å; E381-R387 IonicContact OE2-NE 3.15Å; E381-R387 PolarHBondContact OE2-NE 3.02Å; E381-R387 IonicContact OE2-NH1 2.84Å; E381-R387 IonicContact OE2-NH2 3.29Å; E381-R387 PolarHBondContact OE2-NH2 2.77Å; E381-L388 HydrophobicContact CB-CB 4.44Å; E381-L388 HydrophobicContact CB-CD1 4.47Å
382	Q	72.6	Confident	81.5	Confident	48 Å²	48	39.3 Å²	39.3	22%	0.224	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-4.4	-173.1	66.9	-176.2	-23.7	0	0	116.1	S621	Q382-S621 WeakPolarHBondContact O-CA 3.42Å; Q382-S621 WeakPolarHBondContact O-CB 3.34Å; Q382-S621 PolarHBondContact O-OG 3.4Å
383	L	77.7	Confident	82.1	Confident	110 Å²	110	35.9 Å²	35.9	58%	0.576	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-19.9	-179	-60.9	179.4	0	0	0	113.2	E381 Y624	E381-L383 PolarHBondContact O-N 3.42Å; L383-Y624 HydrophobicContact CB-CE1 4.37Å; L383-Y624 HydrophobicContact CD2-CD1 4.26Å; L383-Y624 HydrophobicContact CD2-CE1 3.74Å; L383-Y624 HydrophobicContact CD2-CE2 4.2Å
384	D	81.7	Confident	82.7	Confident	71 Å²	71	33.6 Å²	33.6	38%	0.38	17%	0.166	S	C	.	.			trans	-138.7	113.6	-177.9	178.6	-10.1	0	0	0	109.6	E381 T386 R387 L388	E381-D384 PolarHBondContact O-N 3.14Å; D384-T386 PolarHBondContact O-N 3.19Å; D384-T386 WeakPolarHBondContact OD1-CA 3.49Å; D384-T386 VanDerWaalsContact OD1-CB 3.23Å; D384-T386 WeakPolarHBondContact OD1-CB 3.36Å; D384-T386 PolarHBondContact OD1-N 2.86Å; D384-R387 HydrophobicContact CB-CB 4.04Å; D384-R387 PolarHBondContact O-N 2.63Å; D384-R387 PolarHBondContact OD1-N 3.2Å; D384-L388 WeakPolarHBondContact O-CB 3.49Å; D384-L388 PolarHBondContact O-N 2.96Å
385	I	85.6	Confident	83	Confident	9 Å²	9	33.7 Å²	33.7	5%	0.046	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-34.7	-178.4	-166.4	165.9	0	0	0	112.3	I389 L409 I618 S621 Q622 E625	I385-I389 HydrophobicContact CD1-CD1 4.49Å; I385-I389 HydrophobicContact CG1-CD1 3.81Å; I385-I389 HydrophobicContact CG1-CG1 4.4Å; I385-I389 WeakPolarHBondContact O-CB 3.39Å; I385-I389 WeakPolarHBondContact O-CG1 3.2Å; I385-I389 PolarHBondContact O-N 3.46Å; I385-L409 HydrophobicContact CD1-CD1 4.4Å; I385-L409 HydrophobicContact CD1-CD2 3.64Å; I385-I618 HydrophobicContact CD1-CG2 4.44Å; I385-S621 WeakPolarHBondContact CA-OG 3.33Å; I385-S621 PolarHBondContact N-OG 3.25Å; I385-Q622 HydrophobicContact CD1-CG 3.87Å; I385-E625 WeakPolarHBondContact CG2-OE1 3.45Å
386	T	87	Confident	83.5	Confident	39 Å²	39	33.7 Å²	33.7	24%	0.239	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-50.1	-179.8	-57.9	0	0	0	0	109.9	D384 L388 I389 Y390 F436	D384-T386 PolarHBondContact O-N 3.19Å; D384-T386 WeakPolarHBondContact OD1-CA 3.49Å; D384-T386 VanDerWaalsContact OD1-CB 3.23Å; D384-T386 WeakPolarHBondContact OD1-CB 3.36Å; D384-T386 PolarHBondContact OD1-N 2.86Å; T386-L388 VanDerWaalsContact C-N 3.35Å; T386-L388 PolarHBondContact O-N 3.12Å; T386-I389 PolarHBondContact O-N 3.44Å; T386-Y390 HydrophobicContact CG2-CD2 3.89Å; T386-Y390 HydrophobicContact CG2-CE2 3.82Å; T386-Y390 VanDerWaalsContact O-CD2 3.26Å; T386-Y390 WeakPolarHBondContact O-CD2 3.41Å; T386-Y390 PolarHBondContact O-N 3.16Å; T386-F436 HydrophobicContact CG2-CE1 4.03Å
387	R	85.1	Confident	83.9	Confident	136 Å²	136	29.6 Å²	29.6	51%	0.513	15%	0.151	S	C	.	.	H	α-helix	trans	-64.9	-40.8	179.8	-172.4	168	175.1	-172.5	-14.6	111.6	E381 D384 S391	E381-R387 HydrophobicContact CG-CG 4.38Å; E381-R387 IonicContact OE1-CZ 3.74Å; E381-R387 IonicContact OE1-NE 3.38Å; E381-R387 PolarHBondContact OE1-NE 3.06Å; E381-R387 IonicContact OE1-NH2 2.91Å; E381-R387 PolarHBondContact OE1-NH2 3.02Å; E381-R387 WeakPolarHBondContact OE2-CD 3.38Å; E381-R387 IonicContact OE2-CZ 3.89Å; E381-R387 IonicContact OE2-NE 3.15Å; E381-R387 PolarHBondContact OE2-NE 3.02Å; E381-R387 IonicContact OE2-NH1 2.84Å; E381-R387 IonicContact OE2-NH2 3.29Å; E381-R387 PolarHBondContact OE2-NH2 2.77Å; D384-R387 HydrophobicContact CB-CB 4.04Å; D384-R387 PolarHBondContact O-N 2.63Å; D384-R387 PolarHBondContact OD1-N 3.2Å; R387-S391 WeakPolarHBondContact O-CB 3.38Å; R387-S391 PolarHBondContact O-N 3.35Å
388	L	87.7	Confident	84.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-52.6	172.3	175.4	64.1	0	0	0	111.3	I378 E381 D384 T386 Y390 S391 V392 G617 I618	I378-L388 HydrophobicContact CB-CD1 4.29Å; I378-L388 HydrophobicContact CG2-CD1 3.82Å; I378-L388 WeakPolarHBondContact O-CD1 3.47Å; E381-L388 HydrophobicContact CB-CB 4.44Å; E381-L388 HydrophobicContact CB-CD1 4.47Å; D384-L388 WeakPolarHBondContact O-CB 3.49Å; D384-L388 PolarHBondContact O-N 2.96Å; T386-L388 VanDerWaalsContact C-N 3.35Å; T386-L388 PolarHBondContact O-N 3.12Å; L388-Y390 PolarHBondContact O-N 3.34Å; L388-S391 VanDerWaalsContact O-CB 3.31Å; L388-S391 WeakPolarHBondContact O-CB 3.07Å; L388-S391 PolarHBondContact O-N 3.39Å; L388-V392 HydrophobicContact CD1-CG2 4.44Å; L388-V392 WeakPolarHBondContact O-CG2 3.22Å; L388-V392 PolarHBondContact O-N 3.32Å; L388-G617 WeakPolarHBondContact CD2-O 3.17Å; L388-I618 HydrophobicContact CD2-CG1 4.22Å
389	I	90.4	Very high	84.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-42.7	-176.8	-70.7	167.4	0	0	0	111.4	I385 T386 S391 V392 L393 L407 F436	I385-I389 HydrophobicContact CD1-CD1 4.49Å; I385-I389 HydrophobicContact CG1-CD1 3.81Å; I385-I389 HydrophobicContact CG1-CG1 4.4Å; I385-I389 WeakPolarHBondContact O-CB 3.39Å; I385-I389 WeakPolarHBondContact O-CG1 3.2Å; I385-I389 PolarHBondContact O-N 3.46Å; T386-I389 PolarHBondContact O-N 3.44Å; I389-S391 VanDerWaalsContact C-N 3.29Å; I389-S391 PolarHBondContact O-N 2.68Å; I389-V392 WeakPolarHBondContact O-CB 3.3Å; I389-V392 PolarHBondContact O-N 2.74Å; I389-V392 VanDerWaalsContact O-N 3.11Å; I389-L393 HydrophobicContact CG2-CD1 4.16Å; I389-L393 HydrophobicContact CG2-CG 4.24Å; I389-L393 WeakPolarHBondContact O-CG 3.22Å; I389-L393 PolarHBondContact O-N 2.69Å; I389-L407 HydrophobicContact CD1-CD2 4.06Å; I389-L407 HydrophobicContact CG1-CD2 4.26Å; I389-L407 HydrophobicContact CG2-CB 4.22Å; I389-L407 HydrophobicContact CG2-CD1 4.14Å; I389-L407 HydrophobicContact CG2-CD2 4.07Å; I389-L407 HydrophobicContact CG2-CG 4.38Å; I389-F436 HydrophobicContact CB-CD1 4.23Å; I389-F436 HydrophobicContact CB-CD2 4.37Å; I389-F436 HydrophobicContact CB-CG 4.14Å; I389-F436 HydrophobicContact CD1-CD2 3.62Å; I389-F436 HydrophobicContact CD1-CE1 4.31Å; I389-F436 HydrophobicContact CD1-CE2 3.35Å; I389-F436 HydrophobicContact CD1-CG 4.23Å; I389-F436 HydrophobicContact CD1-CZ 3.74Å; I389-F436 HydrophobicContact CG2-CB 3.37Å; I389-F436 HydrophobicContact CG2-CD1 3.86Å; I389-F436 HydrophobicContact CG2-CD2 3.72Å; I389-F436 HydrophobicContact CG2-CE2 4.48Å; I389-F436 HydrophobicContact CG2-CG 3.37Å
390	Y	89.5	Confident	84.9	Confident	11 Å²	11	30.3 Å²	30.3	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-34.6	176.3	-81.6	-63.5	0	0	0	113.1	T386 L388 L393 S394 F436 E437 V449 H454	T386-Y390 HydrophobicContact CG2-CD2 3.89Å; T386-Y390 HydrophobicContact CG2-CE2 3.82Å; T386-Y390 VanDerWaalsContact O-CD2 3.26Å; T386-Y390 WeakPolarHBondContact O-CD2 3.41Å; T386-Y390 PolarHBondContact O-N 3.16Å; L388-Y390 PolarHBondContact O-N 3.34Å; Y390-L393 HydrophobicContact CD1-CD1 4.14Å; Y390-L393 HydrophobicContact CE1-CD1 4.29Å; Y390-L393 PolarHBondContact O-N 3.09Å; Y390-S394 WeakPolarHBondContact O-CB 3.44Å; Y390-S394 PolarHBondContact O-N 3.02Å; Y390-F436 HydrophobicContact CD2-CD1 4.38Å; Y390-F436 AromaticContact CE2-CD1 3.83Å; Y390-F436 HydrophobicContact CE2-CD1 3.83Å; Y390-F436 HydrophobicContact CE2-CE1 4.41Å; Y390-E437 WeakPolarHBondContact CE1-O 3.39Å; Y390-V449 HydrophobicContact CD1-CG1 3.71Å; Y390-V449 HydrophobicContact CD2-CG1 3.96Å; Y390-V449 HydrophobicContact CE1-CG1 3.27Å; Y390-V449 HydrophobicContact CE2-CG1 3.54Å; Y390-V449 HydrophobicContact CG-CG1 4.04Å; Y390-H454 AromaticContact CE2-CE1 3.91Å; Y390-H454 PolarHBondContact OH-CE1 3.43Å
391	S	86	Confident	85.3	Confident	15 Å²	15	27.6 Å²	27.6	11%	0.105	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-50.4	169.5	-174.4	0	0	0	0	110.2	I377 R387 L388 I389 L393 S394 H395	I377-S391 WeakPolarHBondContact CG2-OG 3.38Å; R387-S391 WeakPolarHBondContact O-CB 3.38Å; R387-S391 PolarHBondContact O-N 3.35Å; L388-S391 VanDerWaalsContact O-CB 3.31Å; L388-S391 WeakPolarHBondContact O-CB 3.07Å; L388-S391 PolarHBondContact O-N 3.39Å; I389-S391 VanDerWaalsContact C-N 3.29Å; I389-S391 PolarHBondContact O-N 2.68Å; S391-L393 PolarHBondContact O-N 3.34Å; S391-S394 PolarHBondContact O-N 3.36Å; S391-H395 PolarHBondContact O-N 3.38Å; S391-H395 PolarHBondContact O-ND1 3.15Å; S391-H395 PolarHBondContact OG-CE1 3.04Å; S391-H395 PolarHBondContact OG-ND1 3.23Å
392	V	89.2	Confident	86.2	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-55.5	-48.2	177.6	169.7	0	0	0	0	112.3	I378 L388 I389 S394 H395 T396 L407 F610 V614	I378-V392 HydrophobicContact CG1-CG2 4.33Å; L388-V392 HydrophobicContact CD1-CG2 4.44Å; L388-V392 WeakPolarHBondContact O-CG2 3.22Å; L388-V392 PolarHBondContact O-N 3.32Å; I389-V392 WeakPolarHBondContact O-CB 3.3Å; I389-V392 PolarHBondContact O-N 2.74Å; I389-V392 VanDerWaalsContact O-N 3.11Å; V392-S394 PolarHBondContact O-N 3.17Å; V392-H395 PolarHBondContact O-N 3.43Å; V392-T396 WeakPolarHBondContact O-CB 3.36Å; V392-T396 PolarHBondContact O-N 3.29Å; V392-T396 PolarHBondContact O-OG1 3.15Å; V392-L407 HydrophobicContact CG1-CD1 4.25Å; V392-F610 HydrophobicContact CG1-CE1 3.92Å; V392-F610 HydrophobicContact CG1-CZ 4.2Å; V392-F610 HydrophobicContact CG2-CZ 4.48Å; V392-V614 HydrophobicContact CB-CG1 4.4Å; V392-V614 HydrophobicContact CB-CG2 4.3Å; V392-V614 HydrophobicContact CG1-CB 4.41Å; V392-V614 HydrophobicContact CG1-CG1 3.85Å; V392-V614 HydrophobicContact CG1-CG2 3.64Å; V392-V614 HydrophobicContact CG2-CB 4.3Å; V392-V614 HydrophobicContact CG2-CG1 3.78Å; V392-V614 HydrophobicContact CG2-CG2 3.68Å
393	L	91.8	Very high	87.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-45.7	179	-69	178	0	0	0	111.5	I389 Y390 S391 H395 T396 I397 C405 L407 F436 L438	I389-L393 HydrophobicContact CG2-CD1 4.16Å; I389-L393 HydrophobicContact CG2-CG 4.24Å; I389-L393 WeakPolarHBondContact O-CG 3.22Å; I389-L393 PolarHBondContact O-N 2.69Å; Y390-L393 HydrophobicContact CD1-CD1 4.14Å; Y390-L393 HydrophobicContact CE1-CD1 4.29Å; Y390-L393 PolarHBondContact O-N 3.09Å; S391-L393 PolarHBondContact O-N 3.34Å; L393-H395 PolarHBondContact O-N 2.87Å; L393-T396 WeakPolarHBondContact O-CB 3.35Å; L393-T396 PolarHBondContact O-N 3.34Å; L393-I397 VanDerWaalsContact O-CG1 3.31Å; L393-I397 WeakPolarHBondContact O-CG1 3.34Å; L393-I397 PolarHBondContact O-N 2.94Å; L393-C405 HydrophobicContact CD2-CB 3.92Å; L393-C405 WeakPolarHBondContact CD2-SG 3.43Å; L393-L407 HydrophobicContact CD2-CB 3.85Å; L393-F436 HydrophobicContact CD1-CB 3.75Å; L393-L438 HydrophobicContact CB-CB 3.8Å; L393-L438 HydrophobicContact CB-CD2 3.96Å; L393-L438 HydrophobicContact CD1-CB 4.04Å
394	S	87.3	Confident	87.9	Confident	17 Å²	17	18.5 Å²	18.5	12%	0.119	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-45.9	178.4	-172	0	0	0	0	111.6	Y390 S391 V392 I397 C398	Y390-S394 WeakPolarHBondContact O-CB 3.44Å; Y390-S394 PolarHBondContact O-N 3.02Å; S391-S394 PolarHBondContact O-N 3.36Å; V392-S394 PolarHBondContact O-N 3.17Å; S394-I397 PolarHBondContact O-N 2.71Å; S394-C398 PolarHBondContact O-N 2.87Å; S394-C398 VanDerWaalsContact O-N 3.13Å; S394-C398 PolarHBondContact O-SG 3.39Å; S394-C398 VanDerWaalsContact O-SG 3.4Å
395	H	84.5	Confident	88.5	Confident	11 Å²	11	15.1 Å²	15.1	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	-68.6	-36.5	179.6	-69.9	79.5	0	0	0	111.7	L374 I377 S391 V392 L393 C398 L399 F563 F610	L374-H395 HydrophobicContact CD2-CB 3.74Å; L374-H395 WeakPolarHBondContact CD2-CD2 3.4Å; I377-H395 WeakPolarHBondContact CD1-NE2 3.38Å; S391-H395 PolarHBondContact O-N 3.38Å; S391-H395 PolarHBondContact O-ND1 3.15Å; S391-H395 PolarHBondContact OG-CE1 3.04Å; S391-H395 PolarHBondContact OG-ND1 3.23Å; V392-H395 PolarHBondContact O-N 3.43Å; L393-H395 PolarHBondContact O-N 2.87Å; H395-C398 PolarHBondContact O-N 2.87Å; H395-L399 WeakPolarHBondContact O-CB 3.44Å; H395-L399 PolarHBondContact O-N 3.42Å; H395-F563 AromaticContact CD2-CD1 3.78Å; H395-F563 AromaticContact CD2-CE1 3.04Å; H395-F563 WeakPolarHBondContact CD2-CE1 3.49Å; H395-F563 AromaticContact CD2-CZ 3.65Å; H395-F563 AromaticContact NE2-CD1 3.31Å; H395-F563 VanDerWaalsContact NE2-CD1 3.31Å; H395-F563 WeakPolarHBondContact NE2-CD1 3.19Å; H395-F563 AromaticContact NE2-CE1 3.06Å; H395-F563 WeakPolarHBondContact NE2-CE1 3.46Å; H395-F610 HydrophobicContact CB-CE2 4.48Å; H395-F610 HydrophobicContact CB-CZ 3.91Å
396	T	89.2	Confident	88.9	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-48	174.6	-57.4	0	0	0	0	111.1	V392 L393 C398 L399 L400 C405 I540 F607 F610	V392-T396 WeakPolarHBondContact O-CB 3.36Å; V392-T396 PolarHBondContact O-N 3.29Å; V392-T396 PolarHBondContact O-OG1 3.15Å; L393-T396 WeakPolarHBondContact O-CB 3.35Å; L393-T396 PolarHBondContact O-N 3.34Å; T396-C398 VanDerWaalsContact C-N 3.34Å; T396-C398 PolarHBondContact O-N 3.12Å; T396-L399 PolarHBondContact O-N 3.49Å; T396-L400 HydrophobicContact CG2-CD1 3.91Å; T396-L400 HydrophobicContact CG2-CG 4.47Å; T396-L400 WeakPolarHBondContact O-CB 3.42Å; T396-L400 PolarHBondContact O-N 3.39Å; T396-C405 HydrophobicContact CG2-CB 4.27Å; T396-I540 HydrophobicContact CG2-CD1 4.16Å; T396-I540 HydrophobicContact CG2-CG1 4.1Å; T396-F607 HydrophobicContact CG2-CD2 3.88Å; T396-F607 HydrophobicContact CG2-CE2 3.47Å; T396-F607 VanDerWaalsContact CG2-CE2 3.47Å; T396-F607 HydrophobicContact CG2-CZ 4.49Å; T396-F610 WeakPolarHBondContact OG1-CE1 3.27Å
397	I	90.3	Very high	89.3	Confident	7 Å²	7	13 Å²	13	4%	0.036	6%	0.063	C	C	.	.	H	α-helix	trans	-59.7	-45.2	179.2	-73.5	170.3	0	0	0	111	L393 S394 Q401 C402 L438 W440	L393-I397 VanDerWaalsContact O-CG1 3.31Å; L393-I397 WeakPolarHBondContact O-CG1 3.34Å; L393-I397 PolarHBondContact O-N 2.94Å; S394-I397 PolarHBondContact O-N 2.71Å; I397-Q401 WeakPolarHBondContact O-CA 3.44Å; I397-Q401 PolarHBondContact O-N 3.3Å; I397-C402 PolarHBondContact O-N 3.29Å; I397-L438 HydrophobicContact CD1-CB 3.83Å; I397-L438 HydrophobicContact CD1-CD2 3.98Å; I397-L438 HydrophobicContact CD1-CG 3.84Å; I397-L438 WeakPolarHBondContact CD1-O 3.35Å; I397-W440 HydrophobicContact CG2-CB 4.33Å; I397-W440 HydrophobicContact CG2-CD2 4.3Å; I397-W440 HydrophobicContact CG2-CE3 3.39Å; I397-W440 HydrophobicContact CG2-CZ3 4.02Å
398	C	83.6	Confident	89.8	Confident	43 Å²	43	6.5 Å²	6.5	29%	0.291	4%	0.038	S	C	.	.	H	α-helix	trans	-69.4	-42.5	176.9	-65.7	0	0	0	0	113	S394 H395 T396	S394-C398 PolarHBondContact O-N 2.87Å; S394-C398 VanDerWaalsContact O-N 3.13Å; S394-C398 PolarHBondContact O-SG 3.39Å; S394-C398 VanDerWaalsContact O-SG 3.4Å; H395-C398 PolarHBondContact O-N 2.87Å; T396-C398 VanDerWaalsContact C-N 3.34Å; T396-C398 PolarHBondContact O-N 3.12Å
399	L	83.9	Confident	90	Very high	16 Å²	16	6.8 Å²	6.8	8%	0.084	4%	0.04	C	C	.	.	H	α-helix	trans	-69.3	-40.1	-174.9	-175	65.1	0	0	0	112.3	V370 L374 H395 T396 L606 F610	V370-L399 HydrophobicContact CG1-CD1 3.98Å; L374-L399 HydrophobicContact CD1-CD1 4.38Å; L374-L399 HydrophobicContact CD1-CD2 3.85Å; H395-L399 WeakPolarHBondContact O-CB 3.44Å; H395-L399 PolarHBondContact O-N 3.42Å; T396-L399 PolarHBondContact O-N 3.49Å; L399-L606 HydrophobicContact CD1-CD1 4.23Å; L399-L606 HydrophobicContact CD1-CD2 3.67Å; L399-L606 HydrophobicContact CD1-CG 4.06Å; L399-L606 HydrophobicContact CD2-CD1 4.46Å; L399-L606 HydrophobicContact CD2-CD2 4.27Å; L399-L606 HydrophobicContact CD2-CG 3.95Å; L399-L606 HydrophobicContact CG-CD2 3.67Å; L399-L606 HydrophobicContact CG-CG 3.93Å; L399-F610 HydrophobicContact CD2-CB 4.27Å; L399-F610 HydrophobicContact CD2-CG 4.35Å
400	L	88.3	Confident	90.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-99.6	-10.9	-178.4	-57.2	-176.9	0	0	0	113	T396 I540 K543 D603 L606 F607	T396-L400 HydrophobicContact CG2-CD1 3.91Å; T396-L400 HydrophobicContact CG2-CG 4.47Å; T396-L400 WeakPolarHBondContact O-CB 3.42Å; T396-L400 PolarHBondContact O-N 3.39Å; L400-I540 HydrophobicContact CD1-CD1 3.4Å; L400-I540 VanDerWaalsContact CD1-CD1 3.4Å; L400-I540 HydrophobicContact CD1-CG1 4.35Å; L400-I540 HydrophobicContact CD1-CG2 4.22Å; L400-K543 WeakPolarHBondContact O-CD 3.43Å; L400-K543 WeakPolarHBondContact O-CE 3.32Å; L400-K543 PolarHBondContact O-NZ 2.85Å; L400-D603 HydrophobicContact CD2-CB 4.19Å; L400-L606 HydrophobicContact CD2-CD2 4.34Å; L400-F607 HydrophobicContact CD1-CB 4.07Å; L400-F607 HydrophobicContact CD1-CD2 3.75Å; L400-F607 HydrophobicContact CD1-CG 4.17Å; L400-F607 HydrophobicContact CD2-CB 4.38Å
401	Q	87.3	Confident	89.8	Confident	7 Å²	7	10.9 Å²	10.9	3%	0.033	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	60.5	-176.5	-54	148.3	-10.8	0	0	111.2	I397 S544 V546 D547	I397-Q401 WeakPolarHBondContact O-CA 3.44Å; I397-Q401 PolarHBondContact O-N 3.3Å; Q401-S544 WeakPolarHBondContact O-CB 3.17Å; Q401-S544 PolarHBondContact O-N 3.41Å; Q401-V546 PolarHBondContact OE1-O 3.07Å; Q401-D547 PolarHBondContact OE1-OD1 3.22Å
402	C	92	Very high	89	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	161.2	177.1	62.1	0	0	0	0	110.8	I397 I540 N542 F599	I397-C402 PolarHBondContact O-N 3.29Å; C402-I540 HydrophobicContact CB-CG2 3.56Å; C402-I540 WeakPolarHBondContact SG-CG2 3.13Å; C402-N542 CarbonylContact C-O 3.54Å; C402-N542 VanDerWaalsContact CA-O 3.25Å; C402-N542 WeakPolarHBondContact CA-O 3.47Å; C402-F599 HydrophobicContact CB-CE1 4.27Å; C402-F599 HydrophobicContact CB-CZ 4.11Å
403	Q	92.2	Very high	87.3	Confident	4 Å²	4	16.3 Å²	16.3	2%	0.019	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-33.1	-177.3	-162.2	-178.2	8	0	0	111.9	A439 W440 V516 W517 T541 N542 W595	Q403-A439 CarbonylContact O-C 3.56Å; Q403-A439 WeakPolarHBondContact O-CA 3.16Å; Q403-W440 PolarHBondContact O-N 3.45Å; Q403-V516 PolarHBondContact NE2-O 3.43Å; Q403-V516 VanDerWaalsContact NE2-O 3.1Å; Q403-V516 PolarHBondContact OE1-O 2.92Å; Q403-W517 HydrophobicContact CG-CE3 4.13Å; Q403-W517 HydrophobicContact CG-CH2 4.4Å; Q403-W517 HydrophobicContact CG-CZ3 3.7Å; Q403-T541 PolarHBondContact N-O 3.5Å; Q403-N542 HydrophobicContact CB-CB 3.68Å; Q403-N542 PolarHBondContact N-O 3.22Å; Q403-N542 VanDerWaalsContact OE1-CB 3.31Å; Q403-N542 PolarHBondContact OE1-ND2 3.28Å; Q403-W595 HydrophobicContact CB-CD2 3.75Å; Q403-W595 HydrophobicContact CB-CE3 3.85Å; Q403-W595 HydrophobicContact CB-CG 4.18Å; Q403-W595 HydrophobicContact CB-CH2 4.46Å; Q403-W595 HydrophobicContact CB-CZ2 4.37Å; Q403-W595 HydrophobicContact CB-CZ3 4.21Å; Q403-W595 HydrophobicContact CG-CD2 3.96Å; Q403-W595 HydrophobicContact CG-CG 4.17Å; Q403-W595 HydrophobicContact CG-CZ2 4.23Å
404	R	92.5	Very high	85.1	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	149.1	177.4	62.8	-179.1	-172.3	-155.5	-1.2	112.2	L438 A439 E510 W517 S519 T541	R404-L438 VanDerWaalsContact CA-O 3.29Å; R404-L438 WeakPolarHBondContact CA-O 3.38Å; R404-A439 HydrophobicContact CB-CB 4.41Å; R404-E510 IonicContact NH2-OE1 2.71Å; R404-W517 PolarHBondContact NH1-O 2.95Å; R404-W517 PolarHBondContact NH2-O 2.79Å; R404-S519 PolarHBondContact NH2-OG 3.17Å; R404-T541 HydrophobicContact CG-CG2 4.45Å; R404-T541 PolarHBondContact N-O 3.45Å; R404-T541 PolarHBondContact NE-OG1 3.23Å; R404-T541 PolarHBondContact O-N 2.93Å
405	C	94.6	Very high	82.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.9	155.6	161.8	0	0	0	0	110	L393 T396 L438 C538 I539 I540	L393-C405 HydrophobicContact CD2-CB 3.92Å; L393-C405 WeakPolarHBondContact CD2-SG 3.43Å; T396-C405 HydrophobicContact CG2-CB 4.27Å; C405-L438 PolarHBondContact N-O 2.84Å; C405-L438 VanDerWaalsContact N-O 3.12Å; C405-L438 PolarHBondContact O-N 3.21Å; C405-C538 WeakPolarHBondContact CB-SG 3.25Å; C405-C538 WeakPolarHBondContact SG-CB 3.46Å; C405-C538 CovalentContact SG-SG 2.11Å; C405-C538 PolarHBondContact SG-SG 3.4Å; C405-I539 CarbonylContact C-O 3.49Å; C405-I539 WeakPolarHBondContact CA-O 3.15Å; C405-I540 HydrophobicContact CB-CG1 4.16Å
406	Q	94.7	Very high	80.5	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.4	165.7	-60.4	176.3	-64.1	0	0	109.3	I435 F436 E437 F461 C538 I539	Q406-I435 HydrophobicContact CB-CD1 4.35Å; Q406-F436 CarbonylContact C-O 3.5Å; Q406-F436 WeakPolarHBondContact CA-O 3.42Å; Q406-E437 HydrophobicContact CG-CB 3.9Å; Q406-F461 PolarHBondContact NE2-O 2.91Å; Q406-C538 CarbonylContact O-C 3.59Å; Q406-C538 VanDerWaalsContact O-CA 3.23Å; Q406-C538 WeakPolarHBondContact O-CA 3.27Å; Q406-I539 PolarHBondContact N-O 3.25Å; Q406-I539 PolarHBondContact O-N 3.3Å
407	L	95.1	Very high	78	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.8	174.9	-174.5	155.8	0	0	0	109.2	I389 V392 L393 I435 F436 I527 A536 V537	I389-L407 HydrophobicContact CD1-CD2 4.06Å; I389-L407 HydrophobicContact CG1-CD2 4.26Å; I389-L407 HydrophobicContact CG2-CB 4.22Å; I389-L407 HydrophobicContact CG2-CD1 4.14Å; I389-L407 HydrophobicContact CG2-CD2 4.07Å; I389-L407 HydrophobicContact CG2-CG 4.38Å; V392-L407 HydrophobicContact CG1-CD1 4.25Å; L393-L407 HydrophobicContact CD2-CB 3.85Å; L407-I435 WeakPolarHBondContact O-CA 3.22Å; L407-F436 HydrophobicContact CD2-CD2 4.5Å; L407-F436 PolarHBondContact N-O 3.46Å; L407-F436 PolarHBondContact O-N 2.89Å; L407-I527 HydrophobicContact CD1-CD1 3.45Å; L407-I527 VanDerWaalsContact CD1-CD1 3.45Å; L407-I527 HydrophobicContact CG-CD1 4.1Å; L407-A536 HydrophobicContact CD2-CB 3.7Å; L407-A536 HydrophobicContact CG-CB 4.1Å; L407-V537 WeakPolarHBondContact CA-O 3.46Å
408	L	95	Very high	75.5	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.4	178	-65.1	79.5	0	0	0	109	F432 Q434 I435 V463 L465 A468 A536 V537 I539	L408-F432 HydrophobicContact CB-CB 4.38Å; L408-F432 HydrophobicContact CB-CD1 3.51Å; L408-F432 HydrophobicContact CB-CE1 3.84Å; L408-F432 HydrophobicContact CB-CG 3.93Å; L408-F432 HydrophobicContact CD2-CD1 4.21Å; L408-F432 HydrophobicContact CD2-CD2 3.83Å; L408-F432 HydrophobicContact CD2-CE1 4.35Å; L408-F432 HydrophobicContact CD2-CE2 4Å; L408-F432 HydrophobicContact CD2-CG 3.93Å; L408-F432 HydrophobicContact CD2-CZ 4.25Å; L408-Q434 WeakPolarHBondContact CA-O 3.21Å; L408-I435 HydrophobicContact CD1-CD1 4.4Å; L408-I435 HydrophobicContact CG-CD1 4.27Å; L408-I435 HydrophobicContact CG-CG1 4.33Å; L408-V463 HydrophobicContact CD1-CG1 4.31Å; L408-V463 HydrophobicContact CD2-CG1 3.79Å; L408-V463 HydrophobicContact CG-CG1 4.42Å; L408-L465 HydrophobicContact CD2-CD1 4.14Å; L408-A468 HydrophobicContact CD2-CB 4.07Å; L408-A536 CarbonylContact O-C 3.6Å; L408-A536 WeakPolarHBondContact O-CA 3.34Å; L408-A536 VanDerWaalsContact O-CB 3.3Å; L408-A536 WeakPolarHBondContact O-CB 3.3Å; L408-V537 PolarHBondContact N-O 3.1Å; L408-V537 PolarHBondContact O-N 2.63Å; L408-I539 HydrophobicContact CD1-CD1 3.69Å; L408-I539 HydrophobicContact CD1-CG1 4Å
409	L	92.9	Very high	73.3	Confident	6 Å²	6	40 Å²	40	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.5	-179.9	-171.5	69.4	0	0	0	110.3	I385 F432 S433 Q434 A536 I618	I385-L409 HydrophobicContact CD1-CD1 4.4Å; I385-L409 HydrophobicContact CD1-CD2 3.64Å; L409-F432 CarbonylContact O-C 3.56Å; L409-F432 WeakPolarHBondContact O-CA 3.34Å; L409-S433 PolarHBondContact O-N 2.94Å; L409-S433 PolarHBondContact O-OG 2.89Å; L409-Q434 HydrophobicContact CB-CB 4.37Å; L409-Q434 PolarHBondContact N-O 3.46Å; L409-A536 HydrophobicContact CD1-CB 4.31Å; L409-I618 HydrophobicContact CD1-CD1 4.49Å; L409-I618 HydrophobicContact CD1-CG2 3.78Å
410	V	91.7	Very high	71.3	Confident	24 Å²	24	45 Å²	45	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.3	-177.8	-179.2	0	0	0	0	110.7	T412 F432 L472 V534 L535	V410-T412 PolarHBondContact O-N 2.96Å; V410-F432 HydrophobicContact CG2-CD1 4.11Å; V410-F432 HydrophobicContact CG2-CE1 3.96Å; V410-L472 HydrophobicContact CG1-CD1 4.2Å; V410-L472 HydrophobicContact CG2-CD1 3.61Å; V410-V534 HydrophobicContact CG2-CG1 4.45Å; V410-L535 WeakPolarHBondContact CB-O 3.42Å; V410-L535 WeakPolarHBondContact CG2-O 3.34Å; V410-L535 PolarHBondContact N-O 3.43Å
411	K	83.8	Confident	68.8	Low	73 Å²	73	48.7 Å²	48.7	32%	0.317	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-62.9	126.9	173.8	-70.6	-167.2	-167.5	176.2	0	109.8	T413 D430 H431 F432	K411-T413 HydrophobicContact CB-CG2 4.26Å; K411-T413 PolarHBondContact O-N 3.12Å; K411-D430 WeakPolarHBondContact CD-O 3.49Å; K411-D430 WeakPolarHBondContact CE-O 3.4Å; K411-D430 IonicContact NZ-OD1 3.13Å; K411-D430 PolarHBondContact NZ-OD1 3.33Å; K411-H431 PolarHBondContact N-O 3.42Å; K411-F432 WeakPolarHBondContact CE-O 3.35Å
412	T	69	Low	66.7	Low	70 Å²	70	55.3 Å²	55.3	43%	0.429	33%	0.329	S	S	.	.			trans	-79.2	78.2	167.3	-53.8	0	0	0	0	108.5	V410	V410-T412 PolarHBondContact O-N 2.96Å
413	T	53.3	Low	64.1	Low	60 Å²	60	62.7 Å²	62.7	37%	0.368	37%	0.368	S	S	.	.			trans	-75.2	129	168.6	53.4	0	0	0	0	108.8	K411 S415	K411-T413 HydrophobicContact CB-CG2 4.26Å; K411-T413 PolarHBondContact O-N 3.12Å; T413-S415 PolarHBondContact O-N 3.08Å
414	S	46.1	Very low	61.4	Low	123 Å²	123	69.6 Å²	69.6	86%	0.86	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-5	169.4	-52.9	0	0	0	0	112.6
415	S	38.3	Very low	58.8	Low	37 Å²	37	74 Å²	74	26%	0.259	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	7.4	-170.2	55.4	0	0	0	0	115.5	T413 S417 S418	T413-S415 PolarHBondContact O-N 3.08Å; S415-S417 PolarHBondContact O-N 3.13Å; S415-S418 PolarHBondContact O-N 3.37Å
416	M	37.3	Very low	56.3	Low	102 Å²	102	76.2 Å²	76.2	50%	0.502	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7	178.4	-110.5	-78.2	145.8	0	0	114.5	S418 Y419 M425	M416-S418 VanDerWaalsContact C-N 3.27Å; M416-S418 PolarHBondContact O-N 3.12Å; M416-Y419 HydrophobicContact CE-CD2 4.48Å; M416-M425 HydrophobicContact CE-CE 3.99Å; M416-M425 HydrophobicContact CE-SD 4.41Å
417	S	37.2	Very low	54.1	Low	114 Å²	114	81 Å²	81	80%	0.797	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-2.5	173.4	56.7	0	0	0	0	114.6	S415	S415-S417 PolarHBondContact O-N 3.13Å
418	S	36.6	Very low	51.9	Low	74 Å²	74	87.5 Å²	87.5	52%	0.517	51%	0.505	S	S	.	.	S	Bend	trans	-110.9	-11	-173.4	-54.6	0	0	0	0	115.2	S415 M416 S420	S415-S418 PolarHBondContact O-N 3.37Å; M416-S418 VanDerWaalsContact C-N 3.27Å; M416-S418 PolarHBondContact O-N 3.12Å; S418-S420 PolarHBondContact O-N 3.35Å
419	Y	37.3	Very low	49.9	Very low	125 Å²	125	92.8 Å²	92.8	49%	0.49	53%	0.529	S	S	.	.			trans	-91.5	86.1	176.7	-66.4	-79	0	0	0	110.9	M416 S421	M416-Y419 HydrophobicContact CE-CD2 4.48Å; Y419-S421 VanDerWaalsContact C-N 3.3Å
420	S	43	Very low	48.8	Very low	122 Å²	122	97 Å²	97	85%	0.853	55%	0.552	S	S	*	*			trans	-87.8	8.6	173.7	53.2	0	0	0	0	113.8	S418	S418-S420 PolarHBondContact O-N 3.35Å
421	S	35.6	Very low	48.4	Very low	77 Å²	77	97.8 Å²	97.8	54%	0.538	55%	0.554	S	S	.	*	S	Bend	trans	-142.7	141.5	179.2	41	0	0	0	0	112.6	Y419 D423	Y419-S421 VanDerWaalsContact C-N 3.3Å; S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.93Å
422	I	41.7	Very low	48.6	Very low	147 Å²	147	94.5 Å²	94.5	75%	0.754	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-73.5	-19.2	-163.5	-69	164.9	0	0	0	113.4
423	D	37.9	Very low	49.5	Very low	154 Å²	154	93.4 Å²	93.4	82%	0.824	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-97.3	3	-163.1	-66.1	-28.7	0	0	0	115.6	S421	S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.93Å
424	E	36.4	Very low	51.2	Low	150 Å²	150	93.6 Å²	93.6	70%	0.701	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-116.8	36.2	175.2	-71.2	-172.8	171.1	0	0	112.8	G426	E424-G426 PolarHBondContact O-N 3.47Å
425	M	37.6	Very low	53.4	Low	93 Å²	93	88.1 Å²	88.1	46%	0.458	49%	0.492	S	S	.	.			trans	-76.3	115.8	170.2	-71.1	-74.2	-175.9	0	0	109.3	M416	M416-M425 HydrophobicContact CE-CE 3.99Å; M416-M425 HydrophobicContact CE-SD 4.41Å
426	G	42.6	Very low	56	Low	47 Å²	47	86.4 Å²	86.4	49%	0.485	48%	0.48	S	S	.	.			trans	-55.6	171.2	168.2	0	0	0	0	0	112.5	E424 F428	E424-G426 PolarHBondContact O-N 3.47Å; G426-F428 PolarHBondContact O-N 3.2Å
427	P	47	Very low	58.6	Low	103 Å²	103	82 Å²	82	67%	0.669	46%	0.458	S	S	*	.			trans	-52.9	137	-171.6	20.5	-31.4	0	0	0	112.2	H429 D430	P427-H429 PolarHBondContact O-N 2.98Å; P427-D430 PolarHBondContact O-N 3.38Å
428	F	49.6	Very low	61.2	Low	136 Å²	136	76.6 Å²	76.6	60%	0.596	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-43.4	-20.9	-173.1	-63.9	-86.3	0	0	0	116.5	G426 D430 L465 I469	G426-F428 PolarHBondContact O-N 3.2Å; F428-D430 VanDerWaalsContact C-N 3.29Å; F428-D430 PolarHBondContact O-N 2.83Å; F428-L465 HydrophobicContact CB-CD2 4.46Å; F428-I469 HydrophobicContact CB-CD1 3.94Å; F428-I469 HydrophobicContact CD1-CD1 3.84Å; F428-I469 HydrophobicContact CG-CD1 4.39Å
429	H	53.2	Low	63.7	Low	112 Å²	112	73.2 Å²	73.2	52%	0.519	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-72.1	-9.6	178.1	-72.9	-90.1	0	0	0	115.1	P427	P427-H429 PolarHBondContact O-N 2.98Å
430	D	69.8	Low	66	Low	94 Å²	94	69.9 Å²	69.9	50%	0.503	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-89.2	-6.5	-170.7	-154.2	26	0	0	0	115.3	K411 P427 F428	K411-D430 WeakPolarHBondContact CD-O 3.49Å; K411-D430 WeakPolarHBondContact CE-O 3.4Å; K411-D430 IonicContact NZ-OD1 3.13Å; K411-D430 PolarHBondContact NZ-OD1 3.33Å; P427-D430 PolarHBondContact O-N 3.38Å; F428-D430 VanDerWaalsContact C-N 3.29Å; F428-D430 PolarHBondContact O-N 2.83Å
431	H	82.5	Confident	67.7	Low	40 Å²	40	70.6 Å²	70.6	19%	0.185	38%	0.378	C	S	.	.	S	Bend	trans	-78.5	-28.8	-173.6	-65.8	-61.2	0	0	0	114.9	K411 L472	K411-H431 PolarHBondContact N-O 3.42Å; H431-L472 HydrophobicContact CB-CD2 3.88Å
432	F	89.3	Confident	69.7	Low	4 Å²	4	69.9 Å²	69.9	2%	0.018	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.7	-174.2	-58.7	-77.9	0	0	0	110.7	L408 L409 V410 K411 I456 L465 A468 I469 L472 V537	L408-F432 HydrophobicContact CB-CB 4.38Å; L408-F432 HydrophobicContact CB-CD1 3.51Å; L408-F432 HydrophobicContact CB-CE1 3.84Å; L408-F432 HydrophobicContact CB-CG 3.93Å; L408-F432 HydrophobicContact CD2-CD1 4.21Å; L408-F432 HydrophobicContact CD2-CD2 3.83Å; L408-F432 HydrophobicContact CD2-CE1 4.35Å; L408-F432 HydrophobicContact CD2-CE2 4Å; L408-F432 HydrophobicContact CD2-CG 3.93Å; L408-F432 HydrophobicContact CD2-CZ 4.25Å; L409-F432 CarbonylContact O-C 3.56Å; L409-F432 WeakPolarHBondContact O-CA 3.34Å; V410-F432 HydrophobicContact CG2-CD1 4.11Å; V410-F432 HydrophobicContact CG2-CE1 3.96Å; K411-F432 WeakPolarHBondContact CE-O 3.35Å; F432-I456 HydrophobicContact CB-CD1 3.66Å; F432-L465 HydrophobicContact CD2-CD1 3.79Å; F432-L465 HydrophobicContact CE2-CD1 3.82Å; F432-A468 HydrophobicContact CE2-CB 4.09Å; F432-A468 HydrophobicContact CZ-CB 3.88Å; F432-I469 HydrophobicContact CE2-CG1 4.03Å; F432-L472 HydrophobicContact CE1-CD2 4.16Å; F432-L472 HydrophobicContact CZ-CB 4.32Å; F432-L472 HydrophobicContact CZ-CD2 3.91Å; F432-V537 HydrophobicContact CE1-CB 4.35Å; F432-V537 HydrophobicContact CE1-CG2 4Å; F432-V537 HydrophobicContact CZ-CG2 4.27Å
433	S	86.7	Confident	71	Confident	48 Å²	48	70.5 Å²	70.5	34%	0.336	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-43.7	-179.1	56	0	0	0	0	111.9	L409	L409-S433 PolarHBondContact O-N 2.94Å; L409-S433 PolarHBondContact O-OG 2.89Å
434	Q	90	Very high	72.2	Confident	63 Å²	63	64.3 Å²	64.3	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.5	-168.2	-70.7	-177.8	-44.2	0	0	110.8	L408 L409 F436 H454	L408-Q434 WeakPolarHBondContact CA-O 3.21Å; L409-Q434 HydrophobicContact CB-CB 4.37Å; L409-Q434 PolarHBondContact N-O 3.46Å; Q434-F436 HydrophobicContact CB-CE2 3.75Å; Q434-F436 HydrophobicContact CB-CZ 4.3Å; Q434-H454 CarbonylContact C-O 3.57Å; Q434-H454 WeakPolarHBondContact CA-O 3.42Å; Q434-H454 HydrophobicContact CB-CB 3.89Å; Q434-H454 HydrophobicContact CG-CB 3.98Å
435	I	92.2	Very high	73.3	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.2	171.4	-170.6	167.1	0	0	0	111.5	Q406 L407 L408 H454 S455 A459 V463	Q406-I435 HydrophobicContact CB-CD1 4.35Å; L407-I435 WeakPolarHBondContact O-CA 3.22Å; L408-I435 HydrophobicContact CD1-CD1 4.4Å; L408-I435 HydrophobicContact CG-CD1 4.27Å; L408-I435 HydrophobicContact CG-CG1 4.33Å; I435-H454 PolarHBondContact N-O 3.16Å; I435-H454 WeakPolarHBondContact O-CB 3.43Å; I435-H454 PolarHBondContact O-ND1 3.27Å; I435-S455 WeakPolarHBondContact CG2-O 3.41Å; I435-A459 HydrophobicContact CD1-CB 4.12Å; I435-A459 HydrophobicContact CG2-CB 4.36Å; I435-V463 HydrophobicContact CD1-CB 4.34Å; I435-V463 HydrophobicContact CD1-CG1 4.06Å; I435-V463 HydrophobicContact CD1-CG2 3.29Å
436	F	92.5	Very high	74.4	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.7	173.8	-59	-98.2	0	0	0	108.5	T386 I389 Y390 L393 Q406 L407 Q434 H454	T386-F436 HydrophobicContact CG2-CE1 4.03Å; I389-F436 HydrophobicContact CB-CD1 4.23Å; I389-F436 HydrophobicContact CB-CD2 4.37Å; I389-F436 HydrophobicContact CB-CG 4.14Å; I389-F436 HydrophobicContact CD1-CD2 3.62Å; I389-F436 HydrophobicContact CD1-CE1 4.31Å; I389-F436 HydrophobicContact CD1-CE2 3.35Å; I389-F436 HydrophobicContact CD1-CG 4.23Å; I389-F436 HydrophobicContact CD1-CZ 3.74Å; I389-F436 HydrophobicContact CG2-CB 3.37Å; I389-F436 HydrophobicContact CG2-CD1 3.86Å; I389-F436 HydrophobicContact CG2-CD2 3.72Å; I389-F436 HydrophobicContact CG2-CE2 4.48Å; I389-F436 HydrophobicContact CG2-CG 3.37Å; Y390-F436 HydrophobicContact CD2-CD1 4.38Å; Y390-F436 AromaticContact CE2-CD1 3.83Å; Y390-F436 HydrophobicContact CE2-CD1 3.83Å; Y390-F436 HydrophobicContact CE2-CE1 4.41Å; L393-F436 HydrophobicContact CD1-CB 3.75Å; Q406-F436 CarbonylContact C-O 3.5Å; Q406-F436 WeakPolarHBondContact CA-O 3.42Å; L407-F436 HydrophobicContact CD2-CD2 4.5Å; L407-F436 PolarHBondContact N-O 3.46Å; L407-F436 PolarHBondContact O-N 2.89Å; Q434-F436 HydrophobicContact CB-CE2 3.75Å; Q434-F436 HydrophobicContact CB-CZ 4.3Å; F436-H454 AromaticContact CD1-CE1 3.49Å; F436-H454 VanDerWaalsContact CD1-CE1 3.49Å; F436-H454 WeakPolarHBondContact CD1-CE1 3.5Å; F436-H454 AromaticContact CD1-ND1 3.48Å; F436-H454 WeakPolarHBondContact CD1-ND1 3.42Å; F436-H454 AromaticContact CE1-CD2 3.69Å; F436-H454 AromaticContact CE1-CE1 3.34Å; F436-H454 WeakPolarHBondContact CE1-CE1 3.48Å; F436-H454 AromaticContact CE1-CG 3.65Å; F436-H454 AromaticContact CE1-ND1 3.41Å; F436-H454 WeakPolarHBondContact CE1-ND1 3.4Å; F436-H454 AromaticContact CE1-NE2 3.51Å; F436-H454 HydrophobicContact CZ-CB 4.35Å; F436-H454 AromaticContact CZ-CG 3.87Å
437	E	92	Very high	75	Confident	9 Å²	9	60.5 Å²	60.5	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.9	-174.5	62	-176.3	-170.6	0	0	109.7	Y390 Q406 K452 R460 F461	Y390-E437 WeakPolarHBondContact CE1-O 3.39Å; Q406-E437 HydrophobicContact CG-CB 3.9Å; E437-K452 IonicContact OE1-NZ 2.72Å; E437-K452 PolarHBondContact OE1-NZ 2.86Å; E437-R460 VanDerWaalsContact CD-CB 3.48Å; E437-R460 WeakPolarHBondContact OE1-CB 3.41Å; E437-R460 PolarHBondContact OE1-N 3.45Å; E437-R460 IonicContact OE1-NE 3.4Å; E437-R460 WeakPolarHBondContact OE2-CB 3.45Å; E437-R460 PolarHBondContact OE2-N 2.97Å; E437-F461 PolarHBondContact OE2-N 3.49Å
438	L	91.8	Very high	75.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138	175.1	-167.7	67.7	0	0	0	109.2	L393 I397 R404 C405 E442	L393-L438 HydrophobicContact CB-CB 3.8Å; L393-L438 HydrophobicContact CB-CD2 3.96Å; L393-L438 HydrophobicContact CD1-CB 4.04Å; I397-L438 HydrophobicContact CD1-CB 3.83Å; I397-L438 HydrophobicContact CD1-CD2 3.98Å; I397-L438 HydrophobicContact CD1-CG 3.84Å; I397-L438 WeakPolarHBondContact CD1-O 3.35Å; R404-L438 VanDerWaalsContact CA-O 3.29Å; R404-L438 WeakPolarHBondContact CA-O 3.38Å; C405-L438 PolarHBondContact N-O 2.84Å; C405-L438 VanDerWaalsContact N-O 3.12Å; C405-L438 PolarHBondContact O-N 3.21Å; L438-E442 HydrophobicContact CD1-CB 3.71Å; L438-E442 HydrophobicContact CG-CB 4.45Å
439	A	90.3	Very high	75.9	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	160.2	172.9	0	0	0	0	0	112	Q403 R404 E442 F461 W517	Q403-A439 CarbonylContact O-C 3.56Å; Q403-A439 WeakPolarHBondContact O-CA 3.16Å; R404-A439 HydrophobicContact CB-CB 4.41Å; A439-E442 HydrophobicContact CB-CG 4.08Å; A439-E442 PolarHBondContact N-OE2 3.44Å; A439-E442 WeakPolarHBondContact O-CB 3.48Å; A439-E442 PolarHBondContact O-N 3.42Å; A439-E442 VanDerWaalsContact O-N 3.12Å; A439-F461 HydrophobicContact CB-CE2 4.28Å; A439-F461 HydrophobicContact CB-CZ 4.32Å; A439-W517 HydrophobicContact CB-CH2 4.05Å; A439-W517 HydrophobicContact CB-CZ3 3.98Å
440	W	85	Confident	76	Confident	55 Å²	55	55.8 Å²	55.8	21%	0.208	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	139.9	174.3	-179.7	-92.5	0	0	0	111	I397 Q403 E442 I592 W595	I397-W440 HydrophobicContact CG2-CB 4.33Å; I397-W440 HydrophobicContact CG2-CD2 4.3Å; I397-W440 HydrophobicContact CG2-CE3 3.39Å; I397-W440 HydrophobicContact CG2-CZ3 4.02Å; Q403-W440 PolarHBondContact O-N 3.45Å; W440-E442 PolarHBondContact O-N 2.94Å; W440-I592 HydrophobicContact CZ2-CG2 4.1Å; W440-W595 HydrophobicContact CB-CH2 4.11Å; W440-W595 HydrophobicContact CB-CZ2 4.16Å; W440-W595 AromaticContact CD1-CZ2 3.95Å; W440-W595 AromaticContact CD2-CH2 3.87Å; W440-W595 HydrophobicContact CD2-CH2 3.87Å; W440-W595 HydrophobicContact CD2-CZ2 4.38Å; W440-W595 HydrophobicContact CE3-CH2 4.18Å; W440-W595 AromaticContact CG-CH2 3.78Å; W440-W595 HydrophobicContact CG-CH2 3.78Å; W440-W595 AromaticContact CG-CZ2 3.89Å; W440-W595 HydrophobicContact CG-CZ2 3.89Å
441	N	77.9	Confident	75.2	Confident	137 Å²	137	60 Å²	60	73%	0.733	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	7.1	-173.3	-65.6	-29	0	0	0	116.6
442	E	78.2	Confident	74.3	Confident	62 Å²	62	60.7 Å²	60.7	29%	0.29	30%	0.304	S	S	.	.			trans	-84.5	138.3	171.2	-63.4	-167.6	135.2	0	0	111.8	L438 A439 W440 R460	L438-E442 HydrophobicContact CD1-CB 3.71Å; L438-E442 HydrophobicContact CG-CB 4.45Å; A439-E442 HydrophobicContact CB-CG 4.08Å; A439-E442 PolarHBondContact N-OE2 3.44Å; A439-E442 WeakPolarHBondContact O-CB 3.48Å; A439-E442 PolarHBondContact O-N 3.42Å; A439-E442 VanDerWaalsContact O-N 3.12Å; W440-E442 PolarHBondContact O-N 2.94Å; E442-R460 IonicContact OE1-CZ 3.32Å; E442-R460 IonicContact OE1-NH1 2.69Å; E442-R460 PolarHBondContact OE1-NH1 3.27Å; E442-R460 IonicContact OE1-NH2 3.12Å; E442-R460 IonicContact OE2-NH1 2.74Å; E442-R460 PolarHBondContact OE2-NH1 2.94Å
443	K	68.7	Low	73	Confident	159 Å²	159	67.5 Å²	67.5	69%	0.691	33%	0.333	S	S	*	.			trans	-84.2	123.6	172.2	-67.5	-174.4	179.5	-178.4	0	109.5	D445 S446	K443-D445 PolarHBondContact O-N 3.27Å; K443-S446 WeakPolarHBondContact O-CB 3.37Å; K443-S446 PolarHBondContact O-N 2.97Å; K443-S446 PolarHBondContact O-OG 3.48Å
444	S	63	Low	72.7	Confident	24 Å²	24	66.6 Å²	66.6	17%	0.168	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.5	172.6	52.5	0	0	0	0	112.5	S446 V449	S444-S446 VanDerWaalsContact C-N 3.32Å; S444-S446 PolarHBondContact O-N 2.84Å; S444-V449 WeakPolarHBondContact O-CG1 3.28Å
445	D	60.2	Low	72.4	Confident	96 Å²	96	66 Å²	66	51%	0.513	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.9	-180	-87.1	-40.3	0	0	0	115.5	K443 K450	K443-D445 PolarHBondContact O-N 3.27Å; D445-K450 VanDerWaalsContact OD1-CE 3.25Å; D445-K450 WeakPolarHBondContact OD1-CE 3.37Å; D445-K450 IonicContact OD1-NZ 3.61Å; D445-K450 PolarHBondContact OD1-NZ 2.83Å
446	S	60.3	Low	71.9	Confident	29 Å²	29	66.8 Å²	66.8	20%	0.203	33%	0.331	C	S	.	.			trans	-62.4	141.6	-178.3	63.8	0	0	0	0	111.6	K443 S444 D448 V449 K450	K443-S446 WeakPolarHBondContact O-CB 3.37Å; K443-S446 PolarHBondContact O-N 2.97Å; K443-S446 PolarHBondContact O-OG 3.48Å; S444-S446 VanDerWaalsContact C-N 3.32Å; S444-S446 PolarHBondContact O-N 2.84Å; S446-D448 PolarHBondContact O-N 3.41Å; S446-V449 WeakPolarHBondContact O-CB 3.4Å; S446-V449 PolarHBondContact O-N 3.28Å; S446-V449 WeakPolarHBondContact OG-CG2 3.35Å; S446-K450 PolarHBondContact O-N 2.88Å
447	P	55.5	Low	71.4	Confident	85 Å²	85	73 Å²	73	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-60.7	-28.1	179.9	22.7	-32.2	0	0	0	112.6	V449 K450 K451	P447-V449 PolarHBondContact O-N 2.95Å; P447-K450 PolarHBondContact O-N 3.33Å; P447-K451 PolarHBondContact O-N 2.83Å
448	D	56	Low	70.9	Confident	118 Å²	118	77.7 Å²	77.7	63%	0.631	39%	0.386	S	S	*	.	H	α-helix	trans	-69	-20.7	175.3	-63.6	-31.8	0	0	0	113	S446 K452	S446-D448 PolarHBondContact O-N 3.41Å; D448-K452 WeakPolarHBondContact O-CE 3.42Å; D448-K452 VanDerWaalsContact O-CG 3.27Å; D448-K452 WeakPolarHBondContact O-CG 3.41Å
449	V	58.8	Low	70.7	Confident	2 Å²	2	79 Å²	79	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-87.7	-42.5	175.1	171.1	0	0	0	0	110.6	Y390 S444 S446 P447 K451	Y390-V449 HydrophobicContact CD1-CG1 3.71Å; Y390-V449 HydrophobicContact CD2-CG1 3.96Å; Y390-V449 HydrophobicContact CE1-CG1 3.27Å; Y390-V449 HydrophobicContact CE2-CG1 3.54Å; Y390-V449 HydrophobicContact CG-CG1 4.04Å; S444-V449 WeakPolarHBondContact O-CG1 3.28Å; S446-V449 WeakPolarHBondContact O-CB 3.4Å; S446-V449 PolarHBondContact O-N 3.28Å; S446-V449 WeakPolarHBondContact OG-CG2 3.35Å; P447-V449 PolarHBondContact O-N 2.95Å; V449-K451 PolarHBondContact O-N 3.39Å
450	K	55.3	Low	70.4	Confident	133 Å²	133	83.7 Å²	83.7	58%	0.578	41%	0.414	S	S	*	.	H	α-helix	trans	-71.7	-23.7	-177	-67.6	-175	179.6	174.1	0	115.4	D445 S446 P447	D445-K450 VanDerWaalsContact OD1-CE 3.25Å; D445-K450 WeakPolarHBondContact OD1-CE 3.37Å; D445-K450 IonicContact OD1-NZ 3.61Å; D445-K450 PolarHBondContact OD1-NZ 2.83Å; S446-K450 PolarHBondContact O-N 2.88Å; P447-K450 PolarHBondContact O-N 3.33Å
451	K	54	Low	70.6	Confident	182 Å²	182	81.7 Å²	81.7	79%	0.791	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.3	-178.5	-73.4	-176.7	178.3	178.5	0	114.3	P447 V449	P447-K451 PolarHBondContact O-N 2.83Å; V449-K451 PolarHBondContact O-N 3.39Å
452	K	63.3	Low	71.1	Confident	55 Å²	55	76.6 Å²	76.6	24%	0.239	38%	0.381	C	S	.	.			trans	-73.8	143.1	-176.1	-76.1	178.8	176.2	-170.1	0	111.4	E437 D448 R460	E437-K452 IonicContact OE1-NZ 2.72Å; E437-K452 PolarHBondContact OE1-NZ 2.86Å; D448-K452 WeakPolarHBondContact O-CE 3.42Å; D448-K452 VanDerWaalsContact O-CG 3.27Å; D448-K452 WeakPolarHBondContact O-CG 3.41Å; K452-R460 VanDerWaalsContact NZ-NH2 3.11Å
453	K	60.9	Low	71.6	Confident	147 Å²	147	74.5 Å²	74.5	64%	0.639	37%	0.372	S	S	*	.			trans	-78.4	137.2	160.4	-60.5	173.2	178.4	174.4	0	107.6	S455 E458	K453-S455 PolarHBondContact O-N 2.97Å; K453-E458 WeakPolarHBondContact CB-OE2 3.44Å; K453-E458 WeakPolarHBondContact CD-OE1 3.43Å; K453-E458 WeakPolarHBondContact CD-OE2 3.47Å; K453-E458 IonicContact NZ-OE1 3.62Å
454	H	80.1	Confident	72.7	Confident	29 Å²	29	67.2 Å²	67.2	13%	0.134	34%	0.341	C	S	.	.			trans	-87.8	30.5	-178.2	-61.8	-63.4	0	0	0	112.7	Y390 Q434 I435 F436	Y390-H454 AromaticContact CE2-CE1 3.91Å; Y390-H454 PolarHBondContact OH-CE1 3.43Å; Q434-H454 CarbonylContact C-O 3.57Å; Q434-H454 WeakPolarHBondContact CA-O 3.42Å; Q434-H454 HydrophobicContact CB-CB 3.89Å; Q434-H454 HydrophobicContact CG-CB 3.98Å; I435-H454 PolarHBondContact N-O 3.16Å; I435-H454 WeakPolarHBondContact O-CB 3.43Å; I435-H454 PolarHBondContact O-ND1 3.27Å; F436-H454 AromaticContact CD1-CE1 3.49Å; F436-H454 VanDerWaalsContact CD1-CE1 3.49Å; F436-H454 WeakPolarHBondContact CD1-CE1 3.5Å; F436-H454 AromaticContact CD1-ND1 3.48Å; F436-H454 WeakPolarHBondContact CD1-ND1 3.42Å; F436-H454 AromaticContact CE1-CD2 3.69Å; F436-H454 AromaticContact CE1-CE1 3.34Å; F436-H454 WeakPolarHBondContact CE1-CE1 3.48Å; F436-H454 AromaticContact CE1-CG 3.65Å; F436-H454 AromaticContact CE1-ND1 3.41Å; F436-H454 WeakPolarHBondContact CE1-ND1 3.4Å; F436-H454 AromaticContact CE1-NE2 3.51Å; F436-H454 HydrophobicContact CZ-CB 4.35Å; F436-H454 AromaticContact CZ-CG 3.87Å
455	S	84.7	Confident	74	Confident	50 Å²	50	67.2 Å²	67.2	35%	0.35	34%	0.339	S	S	.	.			trans	-75.9	143.4	177.8	-171.6	0	0	0	0	110.7	I435 K453 D457 E458	I435-S455 WeakPolarHBondContact CG2-O 3.41Å; K453-S455 PolarHBondContact O-N 2.97Å; S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 PolarHBondContact O-N 3.24Å; S455-E458 PolarHBondContact O-N 3.39Å
456	I	82.5	Confident	75.4	Confident	25 Å²	25	67 Å²	67	13%	0.128	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.9	-38.2	178.8	-59	167.2	0	0	0	110.8	F432 E458 A459	F432-I456 HydrophobicContact CB-CD1 3.66Å; I456-E458 PolarHBondContact O-N 3.05Å; I456-A459 WeakPolarHBondContact O-CB 3.38Å; I456-A459 PolarHBondContact O-N 3.09Å
457	D	81.5	Confident	76.9	Confident	132 Å²	132	65.7 Å²	65.7	71%	0.706	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.9	-179.4	-54.9	-36.9	0	0	0	113.2	S455	S455-D457 VanDerWaalsContact C-N 3.28Å; S455-D457 PolarHBondContact O-N 3.24Å
458	E	81.9	Confident	78.6	Confident	106 Å²	106	61.7 Å²	61.7	50%	0.495	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-104.9	14.4	179.2	-61.7	-172.6	-171.6	0	0	112.4	K453 S455 I456	K453-E458 WeakPolarHBondContact CB-OE2 3.44Å; K453-E458 WeakPolarHBondContact CD-OE1 3.43Å; K453-E458 WeakPolarHBondContact CD-OE2 3.47Å; K453-E458 IonicContact NZ-OE1 3.62Å; S455-E458 PolarHBondContact O-N 3.39Å; I456-E458 PolarHBondContact O-N 3.05Å
459	A	85.9	Confident	80.3	Confident	29 Å²	29	56.3 Å²	56.3	24%	0.24	27%	0.274	C	S	.	.			trans	-62.9	136.4	178.3	0	0	0	0	0	111.9	I435 I456 V463	I435-A459 HydrophobicContact CD1-CB 4.12Å; I435-A459 HydrophobicContact CG2-CB 4.36Å; I456-A459 WeakPolarHBondContact O-CB 3.38Å; I456-A459 PolarHBondContact O-N 3.09Å; A459-V463 HydrophobicContact CB-CG2 3.63Å
460	R	84.2	Confident	81.7	Confident	102 Å²	102	59 Å²	59	39%	0.385	29%	0.286	S	S	.	.	S	Bend	trans	-73.3	-36.1	179	-178.5	-166.2	-70.6	172.7	-9	111.9	E437 E442 K452	E437-R460 VanDerWaalsContact CD-CB 3.48Å; E437-R460 WeakPolarHBondContact OE1-CB 3.41Å; E437-R460 PolarHBondContact OE1-N 3.45Å; E437-R460 IonicContact OE1-NE 3.4Å; E437-R460 WeakPolarHBondContact OE2-CB 3.45Å; E437-R460 PolarHBondContact OE2-N 2.97Å; E442-R460 IonicContact OE1-CZ 3.32Å; E442-R460 IonicContact OE1-NH1 2.69Å; E442-R460 PolarHBondContact OE1-NH1 3.27Å; E442-R460 IonicContact OE1-NH2 3.12Å; E442-R460 IonicContact OE2-NH1 2.74Å; E442-R460 PolarHBondContact OE2-NH1 2.94Å; K452-R460 VanDerWaalsContact NZ-NH2 3.11Å
461	F	89.4	Confident	83.4	Confident	14 Å²	14	52.7 Å²	52.7	6%	0.061	26%	0.258	C	S	.	.	S	Bend	trans	-107.2	141.6	176.4	-60	-70.5	0	0	0	110.1	Q406 E437 A439 V463 L513 W517	Q406-F461 PolarHBondContact NE2-O 2.91Å; E437-F461 PolarHBondContact OE2-N 3.49Å; A439-F461 HydrophobicContact CB-CE2 4.28Å; A439-F461 HydrophobicContact CB-CZ 4.32Å; F461-V463 PolarHBondContact O-N 2.93Å; F461-L513 HydrophobicContact CD1-CD2 4.34Å; F461-W517 HydrophobicContact CE1-CD2 4.1Å; F461-W517 AromaticContact CE1-CE3 3.8Å; F461-W517 HydrophobicContact CE1-CE3 3.8Å; F461-W517 HydrophobicContact CE1-CG 4.44Å; F461-W517 HydrophobicContact CE1-CZ3 4.34Å; F461-W517 AromaticContact CZ-CE3 3.97Å; F461-W517 HydrophobicContact CZ-CE3 3.97Å; F461-W517 HydrophobicContact CZ-CZ3 4.03Å
462	P	88.4	Confident	85.2	Confident	29 Å²	29	45.8 Å²	45.8	19%	0.188	23%	0.23	C	C	.	.			trans	-54.1	131.2	175.7	-22.3	33.7	0	0	0	110.8	L509 E510 L513	P462-L509 HydrophobicContact CB-CB 4.02Å; P462-L509 WeakPolarHBondContact CB-O 3.22Å; P462-L509 WeakPolarHBondContact CG-O 3.45Å; P462-E510 HydrophobicContact CB-CG 4.38Å; P462-E510 HydrophobicContact CG-CG 4.3Å; P462-L513 HydrophobicContact CG-CD1 3.62Å; P462-L513 HydrophobicContact CG-CG 3.91Å
463	V	89.8	Confident	86.4	Confident	19 Å²	19	49.4 Å²	49.4	12%	0.115	25%	0.248	C	C	.	.			trans	-96.3	116.9	-176.1	-174.2	0	0	0	0	108.1	L408 I435 A459 F461 L465 I539	L408-V463 HydrophobicContact CD1-CG1 4.31Å; L408-V463 HydrophobicContact CD2-CG1 3.79Å; L408-V463 HydrophobicContact CG-CG1 4.42Å; I435-V463 HydrophobicContact CD1-CB 4.34Å; I435-V463 HydrophobicContact CD1-CG1 4.06Å; I435-V463 HydrophobicContact CD1-CG2 3.29Å; A459-V463 HydrophobicContact CB-CG2 3.63Å; F461-V463 PolarHBondContact O-N 2.93Å; V463-L465 PolarHBondContact O-N 2.94Å; V463-I539 HydrophobicContact CG1-CD1 4.28Å
464	Q	91.5	Very high	87.8	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.028	24%	0.236	C	C	.	.			trans	-73.8	71.3	176.3	-65.8	-70.7	-26.3	0	0	110.3	D466 L467 A468 D506 E510	Q464-D466 VanDerWaalsContact C-N 3.33Å; Q464-D466 PolarHBondContact O-N 2.76Å; Q464-L467 HydrophobicContact CB-CB 4.33Å; Q464-L467 HydrophobicContact CB-CD1 3.77Å; Q464-L467 HydrophobicContact CB-CG 4Å; Q464-L467 HydrophobicContact CG-CD1 4.28Å; Q464-L467 WeakPolarHBondContact O-CB 3.45Å; Q464-L467 PolarHBondContact O-N 3.29Å; Q464-L467 VanDerWaalsContact O-N 3.16Å; Q464-A468 PolarHBondContact O-N 3.03Å; Q464-D506 PolarHBondContact NE2-O 2.82Å; Q464-D506 VanDerWaalsContact NE2-O 3.15Å; Q464-E510 PolarHBondContact NE2-OE1 2.86Å
465	L	89.9	Confident	88.1	Confident	24 Å²	24	44.5 Å²	44.5	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-36.4	-168.7	-166.5	67.4	0	0	0	112.5	L408 F428 F432 V463 L467 A468 I469	L408-L465 HydrophobicContact CD2-CD1 4.14Å; F428-L465 HydrophobicContact CB-CD2 4.46Å; F432-L465 HydrophobicContact CD2-CD1 3.79Å; F432-L465 HydrophobicContact CE2-CD1 3.82Å; V463-L465 PolarHBondContact O-N 2.94Å; L465-L467 VanDerWaalsContact C-N 3.27Å; L465-L467 PolarHBondContact O-N 3.22Å; L465-A468 PolarHBondContact O-N 3.18Å; L465-A468 VanDerWaalsContact O-N 3.12Å; L465-I469 HydrophobicContact CD2-CD1 4.22Å; L465-I469 HydrophobicContact CG-CD1 3.86Å; L465-I469 HydrophobicContact CG-CG1 4.23Å; L465-I469 WeakPolarHBondContact O-CB 3.31Å; L465-I469 WeakPolarHBondContact O-CG1 3.49Å; L465-I469 PolarHBondContact O-N 3.4Å
466	D	89	Confident	88.4	Confident	91 Å²	91	47.9 Å²	47.9	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-33.4	177.3	-75.5	-22	0	0	0	113.3	Q464 H470 K503	Q464-D466 VanDerWaalsContact C-N 3.33Å; Q464-D466 PolarHBondContact O-N 2.76Å; D466-H470 WeakPolarHBondContact O-CB 3.37Å; D466-H470 PolarHBondContact O-N 3.39Å; D466-K503 PolarHBondContact O-NZ 3.49Å
467	L	91.5	Very high	88.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-70.8	-45.9	173.4	-54.5	-175.4	0	0	0	109.5	Q464 L465 I469 H470 V471 L478 V480 K503 V522	Q464-L467 HydrophobicContact CB-CB 4.33Å; Q464-L467 HydrophobicContact CB-CD1 3.77Å; Q464-L467 HydrophobicContact CB-CG 4Å; Q464-L467 HydrophobicContact CG-CD1 4.28Å; Q464-L467 WeakPolarHBondContact O-CB 3.45Å; Q464-L467 PolarHBondContact O-N 3.29Å; Q464-L467 VanDerWaalsContact O-N 3.16Å; L465-L467 VanDerWaalsContact C-N 3.27Å; L465-L467 PolarHBondContact O-N 3.22Å; L467-I469 PolarHBondContact O-N 2.75Å; L467-H470 WeakPolarHBondContact O-CB 3.38Å; L467-H470 PolarHBondContact O-N 3.24Å; L467-V471 WeakPolarHBondContact O-CG2 3.48Å; L467-V471 PolarHBondContact O-N 3.45Å; L467-L478 HydrophobicContact CB-CD2 4.25Å; L467-L478 HydrophobicContact CD2-CD2 3.7Å; L467-L478 HydrophobicContact CG-CD2 4.49Å; L467-V480 HydrophobicContact CD1-CG2 4.2Å; L467-V480 HydrophobicContact CD2-CG2 4.19Å; L467-K503 HydrophobicContact CD2-CB 3.86Å; L467-K503 HydrophobicContact CD2-CD 4.28Å; L467-V522 HydrophobicContact CD1-CG1 4.12Å
468	A	92.3	Very high	89.2	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-42.4	-179.7	0	0	0	0	0	113	L408 F432 Q464 L465 H470 V471 L472 V537 I539	L408-A468 HydrophobicContact CD2-CB 4.07Å; F432-A468 HydrophobicContact CE2-CB 4.09Å; F432-A468 HydrophobicContact CZ-CB 3.88Å; Q464-A468 PolarHBondContact O-N 3.03Å; L465-A468 PolarHBondContact O-N 3.18Å; L465-A468 VanDerWaalsContact O-N 3.12Å; A468-H470 VanDerWaalsContact C-N 3.33Å; A468-V471 PolarHBondContact O-N 3.19Å; A468-L472 WeakPolarHBondContact O-CB 3.47Å; A468-L472 PolarHBondContact O-N 2.78Å; A468-V537 HydrophobicContact CB-CG1 4.14Å; A468-I539 HydrophobicContact CB-CD1 4.21Å
469	I	90.4	Very high	89.4	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-39.1	176.6	-69	174.2	0	0	0	110.6	F428 F432 L465 L467 L472 Q473	F428-I469 HydrophobicContact CB-CD1 3.94Å; F428-I469 HydrophobicContact CD1-CD1 3.84Å; F428-I469 HydrophobicContact CG-CD1 4.39Å; F432-I469 HydrophobicContact CE2-CG1 4.03Å; L465-I469 HydrophobicContact CD2-CD1 4.22Å; L465-I469 HydrophobicContact CG-CD1 3.86Å; L465-I469 HydrophobicContact CG-CG1 4.23Å; L465-I469 WeakPolarHBondContact O-CB 3.31Å; L465-I469 WeakPolarHBondContact O-CG1 3.49Å; L465-I469 PolarHBondContact O-N 3.4Å; L467-I469 PolarHBondContact O-N 2.75Å; I469-L472 WeakPolarHBondContact O-CB 3.5Å; I469-L472 PolarHBondContact O-N 2.82Å; I469-Q473 HydrophobicContact CG2-CG 4.35Å; I469-Q473 WeakPolarHBondContact O-CB 3.3Å; I469-Q473 VanDerWaalsContact O-CG 3.26Å; I469-Q473 WeakPolarHBondContact O-CG 3.47Å; I469-Q473 PolarHBondContact O-N 3.23Å
470	H	89.3	Confident	89.5	Confident	59 Å²	59	37.9 Å²	37.9	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-50.4	175.7	-173.6	67.2	0	0	0	111.5	D466 L467 A468 L472 Q473 T474 K503	D466-H470 WeakPolarHBondContact O-CB 3.37Å; D466-H470 PolarHBondContact O-N 3.39Å; L467-H470 WeakPolarHBondContact O-CB 3.38Å; L467-H470 PolarHBondContact O-N 3.24Å; A468-H470 VanDerWaalsContact C-N 3.33Å; H470-L472 VanDerWaalsContact C-N 3.27Å; H470-L472 PolarHBondContact O-N 3.23Å; H470-Q473 PolarHBondContact O-N 2.88Å; H470-Q473 VanDerWaalsContact O-N 3.1Å; H470-T474 VanDerWaalsContact CE1-CG2 3.49Å; H470-T474 WeakPolarHBondContact CE1-CG2 3.48Å; H470-T474 WeakPolarHBondContact O-CG2 3.49Å; H470-T474 PolarHBondContact O-N 3.14Å; H470-T474 PolarHBondContact O-OG1 3.16Å; H470-K503 HydrophobicContact CB-CD 3.97Å
471	V	91.9	Very high	89.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-35.7	178	170.7	0	0	0	0	111.5	L467 A468 G475 E476 L478 C524 P526 V537	L467-V471 WeakPolarHBondContact O-CG2 3.48Å; L467-V471 PolarHBondContact O-N 3.45Å; A468-V471 PolarHBondContact O-N 3.19Å; V471-G475 VanDerWaalsContact O-CA 3.22Å; V471-G475 WeakPolarHBondContact O-CA 3.1Å; V471-G475 PolarHBondContact O-N 3.28Å; V471-E476 WeakPolarHBondContact CG1-O 3.29Å; V471-E476 WeakPolarHBondContact CG2-O 3.41Å; V471-L478 HydrophobicContact CG2-CB 3.82Å; V471-C524 HydrophobicContact CG2-CB 3.88Å; V471-C524 VanDerWaalsContact CG2-SG 3.55Å; V471-P526 HydrophobicContact CG1-CB 3.71Å; V471-P526 HydrophobicContact CG1-CG 4.02Å; V471-V537 HydrophobicContact CB-CG1 4.19Å; V471-V537 HydrophobicContact CG1-CG1 3.95Å; V471-V537 HydrophobicContact CG1-CG2 4.24Å
472	L	91.2	Very high	88.4	Confident	36 Å²	36	37.5 Å²	37.5	19%	0.188	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-41.1	173	178	60.7	0	0	0	112.3	V410 H431 F432 A468 I469 H470 V534 V537	V410-L472 HydrophobicContact CG1-CD1 4.2Å; V410-L472 HydrophobicContact CG2-CD1 3.61Å; H431-L472 HydrophobicContact CB-CD2 3.88Å; F432-L472 HydrophobicContact CE1-CD2 4.16Å; F432-L472 HydrophobicContact CZ-CB 4.32Å; F432-L472 HydrophobicContact CZ-CD2 3.91Å; A468-L472 WeakPolarHBondContact O-CB 3.47Å; A468-L472 PolarHBondContact O-N 2.78Å; I469-L472 WeakPolarHBondContact O-CB 3.5Å; I469-L472 PolarHBondContact O-N 2.82Å; H470-L472 VanDerWaalsContact C-N 3.27Å; H470-L472 PolarHBondContact O-N 3.23Å; L472-V534 HydrophobicContact CD1-CB 3.88Å; L472-V534 HydrophobicContact CD1-CG1 3.79Å; L472-V537 HydrophobicContact CB-CG2 4.33Å
473	Q	88	Confident	86.8	Confident	132 Å²	132	43.1 Å²	43.1	62%	0.617	23%	0.226	S	C	*	.	H	α-helix	trans	-76.6	-41.9	-178.3	-73.4	172.6	-15.6	0	0	113	I469 H470	I469-Q473 HydrophobicContact CG2-CG 4.35Å; I469-Q473 WeakPolarHBondContact O-CB 3.3Å; I469-Q473 VanDerWaalsContact O-CG 3.26Å; I469-Q473 WeakPolarHBondContact O-CG 3.47Å; I469-Q473 PolarHBondContact O-N 3.23Å; H470-Q473 PolarHBondContact O-N 2.88Å; H470-Q473 VanDerWaalsContact O-N 3.1Å
474	T	89.5	Confident	84.9	Confident	63 Å²	63	43.8 Å²	43.8	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-83.9	-30.6	-178.5	60.7	0	0	0	0	112.1	H470 E476	H470-T474 VanDerWaalsContact CE1-CG2 3.49Å; H470-T474 WeakPolarHBondContact CE1-CG2 3.48Å; H470-T474 WeakPolarHBondContact O-CG2 3.49Å; H470-T474 PolarHBondContact O-N 3.14Å; H470-T474 PolarHBondContact O-OG1 3.16Å; T474-E476 PolarHBondContact O-N 2.99Å; T474-E476 PolarHBondContact OG1-N 2.92Å; T474-E476 VanDerWaalsContact OG1-N 3.14Å
475	G	87.8	Confident	82.9	Confident	9 Å²	9	48.1 Å²	48.1	9%	0.093	26%	0.264	C	S	.	.			trans	68	13.9	-167.6	0	0	0	0	0	113.1	V471 P526 K528	V471-G475 VanDerWaalsContact O-CA 3.22Å; V471-G475 WeakPolarHBondContact O-CA 3.1Å; V471-G475 PolarHBondContact O-N 3.28Å; G475-P526 WeakPolarHBondContact O-CG 3.4Å; G475-K528 WeakPolarHBondContact O-CE 3.47Å; G475-K528 PolarHBondContact O-NZ 3.22Å
476	E	90.6	Very high	80.8	Confident	121 Å²	121	48.5 Å²	48.5	57%	0.565	27%	0.267	S	S	*	.			trans	-108.8	152.1	-178.6	-65.6	-60.7	152.5	0	0	111	V471 T474	V471-E476 WeakPolarHBondContact CG1-O 3.29Å; V471-E476 WeakPolarHBondContact CG2-O 3.41Å; T474-E476 PolarHBondContact O-N 2.99Å; T474-E476 PolarHBondContact OG1-N 2.92Å; T474-E476 VanDerWaalsContact OG1-N 3.14Å
477	S	90.5	Very high	78.6	Confident	36 Å²	36	49.2 Å²	49.2	25%	0.252	28%	0.275	S	S	.	.			trans	-65.6	151	174.3	59.3	0	0	0	0	111.3	C524 M525 E604	S477-C524 WeakPolarHBondContact CA-O 3.49Å; S477-M525 WeakPolarHBondContact CB-SD 3.1Å; S477-E604 WeakPolarHBondContact CB-OE1 3.19Å; S477-E604 PolarHBondContact OG-OE1 2.91Å
478	L	89.8	Confident	76.2	Confident	20 Å²	20	53.6 Å²	53.6	11%	0.105	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.7	176.3	-177	66.1	0	0	0	111.2	L467 V471 V480 T486 C524	L467-L478 HydrophobicContact CB-CD2 4.25Å; L467-L478 HydrophobicContact CD2-CD2 3.7Å; L467-L478 HydrophobicContact CG-CD2 4.49Å; V471-L478 HydrophobicContact CG2-CB 3.82Å; L478-V480 HydrophobicContact CD1-CG2 4.49Å; L478-V480 HydrophobicContact CD2-CG2 4.17Å; L478-V480 HydrophobicContact CG-CG2 3.95Å; L478-T486 HydrophobicContact CD1-CG2 4.43Å; L478-C524 HydrophobicContact CB-CB 4.29Å; L478-C524 PolarHBondContact N-O 2.84Å; L478-C524 PolarHBondContact O-N 3.21Å
479	H	87.4	Confident	73.5	Confident	23 Å²	23	57.4 Å²	57.4	11%	0.106	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.6	172.4	-85.7	151.1	0	0	0	111.6	V522 L523 F599 E604	H479-V522 WeakPolarHBondContact CA-O 3.28Å; H479-L523 WeakPolarHBondContact CD2-CD1 3.35Å; H479-L523 WeakPolarHBondContact NE2-CD1 3.37Å; H479-F599 WeakPolarHBondContact NE2-CB 3.45Å; H479-E604 IonicContact CE1-OE2 3.37Å
480	V	86.4	Confident	70.6	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.4	177.1	-166.2	0	0	0	0	110.2	L467 L478 I505 S521 V522	L467-V480 HydrophobicContact CD1-CG2 4.2Å; L467-V480 HydrophobicContact CD2-CG2 4.19Å; L478-V480 HydrophobicContact CD1-CG2 4.49Å; L478-V480 HydrophobicContact CD2-CG2 4.17Å; L478-V480 HydrophobicContact CG-CG2 3.95Å; V480-I505 HydrophobicContact CB-CG1 4.28Å; V480-I505 HydrophobicContact CG1-CD1 4.35Å; V480-I505 HydrophobicContact CG1-CG1 3.78Å; V480-S521 CarbonylContact O-C 3.37Å; V480-V522 PolarHBondContact N-O 2.95Å; V480-V522 PolarHBondContact O-N 2.81Å
481	N	79.8	Confident	67.6	Low	22 Å²	22	68 Å²	68	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.3	173.6	-68.1	-47.1	0	0	0	110.1	N483 G484 R520 S521 I598	N481-N483 PolarHBondContact O-N 3.29Å; N481-N483 VanDerWaalsContact O-N 3.1Å; N481-G484 PolarHBondContact O-N 3.44Å; N481-R520 WeakPolarHBondContact CA-O 3.35Å; N481-S521 WeakPolarHBondContact OD1-CA 3.31Å; N481-S521 WeakPolarHBondContact OD1-CB 3.45Å; N481-I598 WeakPolarHBondContact ND2-CG2 3.46Å
482	I	71	Confident	64.5	Low	86 Å²	86	74.7 Å²	74.7	44%	0.441	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-37.8	177.8	-78	173.2	0	0	0	112.5	G484 S519 R520	I482-G484 PolarHBondContact O-N 2.9Å; I482-S519 VanDerWaalsContact CD1-O 3.32Å; I482-S519 WeakPolarHBondContact CD1-O 3.21Å; I482-S519 VanDerWaalsContact CG1-O 3.32Å; I482-S519 WeakPolarHBondContact CG1-O 3.5Å; I482-R520 VanDerWaalsContact CD1-CA 3.48Å; I482-R520 HydrophobicContact CD1-CB 3.96Å; I482-R520 HydrophobicContact CD1-CG 3.76Å; I482-R520 PolarHBondContact N-O 2.82Å
483	N	55.7	Low	61.5	Low	147 Å²	147	79.6 Å²	79.6	79%	0.786	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	5.8	-178.3	-67	-13.1	0	0	0	114.2	N481 T485	N481-N483 PolarHBondContact O-N 3.29Å; N481-N483 VanDerWaalsContact O-N 3.1Å; N483-T485 PolarHBondContact O-N 3.14Å; N483-T485 VanDerWaalsContact O-N 3.16Å
484	G	49.3	Very low	58.7	Low	33 Å²	33	82.3 Å²	82.3	34%	0.34	46%	0.455	S	S	.	.			trans	72.3	4.7	171.2	0	0	0	0	0	115.7	N481 I482 T486	N481-G484 PolarHBondContact O-N 3.44Å; I482-G484 PolarHBondContact O-N 2.9Å; G484-T486 PolarHBondContact O-N 2.96Å
485	T	49	Very low	55.7	Low	96 Å²	96	87.2 Å²	87.2	59%	0.589	48%	0.479	S	S	*	.			trans	-80.8	102.1	171.6	22.5	0	0	0	0	110.5	N483	N483-T485 PolarHBondContact O-N 3.14Å; N483-T485 VanDerWaalsContact O-N 3.16Å
486	T	46.7	Very low	52.9	Low	32 Å²	32	96.4 Å²	96.4	20%	0.196	52%	0.516	C	S	.	.			trans	-84.5	107.9	166.1	-40.9	0	0	0	0	108.6	L478 G484 I488	L478-T486 HydrophobicContact CD1-CG2 4.43Å; G484-T486 PolarHBondContact O-N 2.96Å; T486-I488 HydrophobicContact CG2-CG1 4.2Å; T486-I488 PolarHBondContact O-N 3.38Å
487	T	42.9	Very low	49.8	Very low	107 Å²	107	97.6 Å²	97.6	66%	0.656	53%	0.526	S	S	*	.			trans	-77.5	96.3	167.5	3	0	0	0	0	108	S489	T487-S489 PolarHBondContact O-N 2.86Å
488	I	40.4	Very low	46.9	Very low	93 Å²	93	102.4 Å²	102.4	48%	0.477	55%	0.549	S	S	.	.			trans	-76.7	116	166.3	-60.1	174.3	0	0	0	106.6	T486 N490	T486-I488 HydrophobicContact CG2-CG1 4.2Å; T486-I488 PolarHBondContact O-N 3.38Å; I488-N490 HydrophobicContact CG2-CB 4.37Å; I488-N490 PolarHBondContact O-N 2.98Å
489	S	36.8	Very low	44.1	Very low	80 Å²	80	109.5 Å²	109.5	56%	0.559	59%	0.587	S	S	*	*			trans	-63.2	78.8	168.7	-76	0	0	0	0	110.3	T487 N491	T487-S489 PolarHBondContact O-N 2.86Å; S489-N491 PolarHBondContact O-N 3.38Å
490	N	28.3	Very low	41.8	Very low	140 Å²	140	114.6 Å²	114.6	75%	0.749	62%	0.615	S	S	*	*			trans	-94.4	91.4	178.6	-105.8	-6.4	0	0	0	111.2	I488	I488-N490 HydrophobicContact CG2-CB 4.37Å; I488-N490 PolarHBondContact O-N 2.98Å
491	N	27.1	Very low	39.9	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	66%	0.655	S	S	*	*			trans	-82.1	129.5	146.9	-99	-26.3	0	0	0	108.5	S489	S489-N491 PolarHBondContact O-N 3.38Å
492	N	27.4	Very low	38.5	Very low	140 Å²	140	129.4 Å²	129.4	75%	0.749	68%	0.678	S	S	*	*	S	Bend	trans	73.1	107.3	163.8	-63.5	-29.1	0	0	0	120.5
493	N	27.8	Very low	38.4	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	67%	0.672	S	S	*	*			trans	71.2	117.5	137.3	-77.7	-31	0	0	0	122.2
494	K	27.7	Very low	39.5	Very low	189 Å²	189	128.8 Å²	128.8	82%	0.822	67%	0.665	S	S	*	*			trans	40.4	84.9	134.3	-63.3	-178.1	-178.7	173.4	0	117.2
495	N	27	Very low	41.1	Very low	165 Å²	165	128 Å²	128	88%	0.882	65%	0.653	S	S	*	*			trans	-148.1	92.6	138.4	-100.1	-21.5	0	0	0	109.5	N497	N495-N497 PolarHBondContact O-N 3.31Å
496	K	28.8	Very low	42.7	Very low	202 Å²	202	126 Å²	126	88%	0.878	64%	0.639	S	S	*	*			trans	-80.4	92.2	161.4	-79	-177.5	174.8	179.6	0	106.4
497	N	25.9	Very low	44.4	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	66%	0.659	S	S	*	*			trans	-174.5	138	152.5	-90.9	-16.7	0	0	0	109.9	N495	N495-N497 PolarHBondContact O-N 3.31Å
498	N	30.2	Very low	46.4	Very low	137 Å²	137	129.9 Å²	129.9	73%	0.733	65%	0.653	S	S	*	*	S	Bend	trans	90.8	108.9	169.1	-57.5	-8.9	0	0	0	117.4	N500	N498-N500 PolarHBondContact O-N 3.5Å
499	N	30.6	Very low	48.6	Very low	169 Å²	169	129.3 Å²	129.3	90%	0.904	65%	0.651	S	S	*	*			trans	0.1	67.5	150.7	-58.4	-11.5	0	0	0	118.2	E501	N499-E501 VanDerWaalsContact C-N 3.27Å; N499-E501 PolarHBondContact O-N 3.23Å
500	N	40.1	Very low	51	Low	131 Å²	131	125.9 Å²	125.9	70%	0.701	63%	0.626	S	S	*	*			trans	-72.8	88.6	163	-77.5	-10.1	0	0	0	108.4	N498 Y502	N498-N500 PolarHBondContact O-N 3.5Å; N500-Y502 PolarHBondContact O-N 3.48Å
501	E	44.8	Very low	53.6	Low	184 Å²	184	125.5 Å²	125.5	86%	0.86	62%	0.62	S	S	*	*			trans	-56.9	107.1	164.6	-138.9	171.7	-165.9	0	0	107.2	N499 K503	N499-E501 VanDerWaalsContact C-N 3.27Å; N499-E501 PolarHBondContact O-N 3.23Å; E501-K503 PolarHBondContact O-N 3.02Å
502	Y	51.2	Low	56.4	Low	153 Å²	153	126.5 Å²	126.5	60%	0.6	63%	0.625	S	S	*	*			trans	-60.3	112.1	179.9	-69.9	-89.6	0	0	0	108.7	N500 K504	N500-Y502 PolarHBondContact O-N 3.48Å; Y502-K504 PolarHBondContact O-N 3.15Å
503	K	69.1	Low	59.2	Low	70 Å²	70	121.2 Å²	121.2	30%	0.304	60%	0.597	S	S	.	*			trans	-64.4	124.6	178	-66.7	-154.2	177.3	-148.7	0	109.8	D466 L467 H470 E501	D466-K503 PolarHBondContact O-NZ 3.49Å; L467-K503 HydrophobicContact CD2-CB 3.86Å; L467-K503 HydrophobicContact CD2-CD 4.28Å; H470-K503 HydrophobicContact CB-CD 3.97Å; E501-K503 PolarHBondContact O-N 3.02Å
504	K	77.8	Confident	61.9	Low	150 Å²	150	119 Å²	119	65%	0.652	59%	0.585	S	S	*	*			trans	-108.1	163.3	177.2	-69	-176.4	179	-177.2	0	110.1	Y502 D506	Y502-K504 PolarHBondContact O-N 3.15Å; K504-D506 PolarHBondContact O-N 3.08Å
505	I	82.7	Confident	64.6	Low	15 Å²	15	113.5 Å²	113.5	8%	0.077	57%	0.569	C	S	.	*			trans	-63.1	128.8	166.9	-63.4	167.3	0	0	0	106.8	V480 E507 V522	V480-I505 HydrophobicContact CB-CG1 4.28Å; V480-I505 HydrophobicContact CG1-CD1 4.35Å; V480-I505 HydrophobicContact CG1-CG1 3.78Å; I505-E507 PolarHBondContact O-N 3.28Å; I505-E507 VanDerWaalsContact O-N 3.13Å; I505-V522 HydrophobicContact CD1-CG2 3.88Å; I505-V522 HydrophobicContact CG1-CG2 4.13Å
506	D	83.6	Confident	67.3	Low	54 Å²	54	109.3 Å²	109.3	29%	0.289	55%	0.549	S	S	.	.			trans	-75.3	100.6	170.2	-172.8	-8.2	0	0	0	108.7	Q464 K504 T508 L509	Q464-D506 PolarHBondContact NE2-O 2.82Å; Q464-D506 VanDerWaalsContact NE2-O 3.15Å; K504-D506 PolarHBondContact O-N 3.08Å; D506-T508 PolarHBondContact O-N 3.03Å; D506-T508 WeakPolarHBondContact OD1-CB 3.35Å; D506-T508 PolarHBondContact OD1-N 3.32Å; D506-T508 PolarHBondContact OD1-OG1 3.01Å; D506-T508 PolarHBondContact OD2-OG1 3.2Å; D506-L509 HydrophobicContact CB-CD1 3.93Å; D506-L509 HydrophobicContact CB-CG 4.08Å
507	E	82.7	Confident	70.1	Confident	133 Å²	133	103.7 Å²	103.7	62%	0.621	52%	0.522	S	S	*	.	S	Bend	trans	-68.9	-22.6	179.6	-64.8	-179.4	-176.2	0	0	112.1	I505 L509 E510 E511	I505-E507 PolarHBondContact O-N 3.28Å; I505-E507 VanDerWaalsContact O-N 3.13Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.43Å; E507-E510 PolarHBondContact O-N 3.14Å; E507-E510 VanDerWaalsContact O-N 3.09Å; E507-E511 PolarHBondContact O-N 2.91Å
508	T	85.3	Confident	73.1	Confident	89 Å²	89	101.2 Å²	101.2	55%	0.546	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-67.9	-31.1	-179.1	71.1	0	0	0	0	111.7	D506 E510	D506-T508 PolarHBondContact O-N 3.03Å; D506-T508 WeakPolarHBondContact OD1-CB 3.35Å; D506-T508 PolarHBondContact OD1-N 3.32Å; D506-T508 PolarHBondContact OD1-OG1 3.01Å; D506-T508 PolarHBondContact OD2-OG1 3.2Å; T508-E510 PolarHBondContact O-N 3.45Å
509	L	84.8	Confident	75.9	Confident	81 Å²	81	94.9 Å²	94.9	42%	0.424	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-68.5	-17.3	174.7	-63.2	178.2	0	0	0	113	P462 D506 E507	P462-L509 HydrophobicContact CB-CB 4.02Å; P462-L509 WeakPolarHBondContact CB-O 3.22Å; P462-L509 WeakPolarHBondContact CG-O 3.45Å; D506-L509 HydrophobicContact CB-CD1 3.93Å; D506-L509 HydrophobicContact CB-CG 4.08Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.43Å
510	E	87.2	Confident	78.7	Confident	7 Å²	7	91.3 Å²	91.3	3%	0.033	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-111.6	9	-173	-55.2	-165.5	175.8	0	0	113.9	R404 P462 Q464 E507 T508 D512 L513 R518 S519	R404-E510 IonicContact NH2-OE1 2.71Å; P462-E510 HydrophobicContact CB-CG 4.38Å; P462-E510 HydrophobicContact CG-CG 4.3Å; Q464-E510 PolarHBondContact NE2-OE1 2.86Å; E507-E510 PolarHBondContact O-N 3.14Å; E507-E510 VanDerWaalsContact O-N 3.09Å; T508-E510 PolarHBondContact O-N 3.45Å; E510-D512 VanDerWaalsContact C-N 3.3Å; E510-D512 PolarHBondContact O-N 2.88Å; E510-L513 HydrophobicContact CB-CD1 4.16Å; E510-L513 HydrophobicContact CG-CD1 4.16Å; E510-L513 PolarHBondContact O-N 3.39Å; E510-L513 VanDerWaalsContact O-N 3.16Å; E510-R518 HydrophobicContact CB-CG 4.33Å; E510-R518 PolarHBondContact O-NE 3.1Å; E510-R518 WeakPolarHBondContact OE2-CA 3.16Å; E510-R518 WeakPolarHBondContact OE2-CB 3.41Å; E510-S519 WeakPolarHBondContact OE1-CB 3.37Å; E510-S519 PolarHBondContact OE1-OG 2.86Å; E510-S519 PolarHBondContact OE2-N 3.14Å
511	E	84.6	Confident	81	Confident	133 Å²	133	85.1 Å²	85.1	62%	0.621	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-43.4	179.3	-72.1	-175.6	-177	0	0	111.9	E507 L513 R518	E507-E511 PolarHBondContact O-N 2.91Å; E511-L513 VanDerWaalsContact C-N 3.31Å; E511-L513 PolarHBondContact O-N 2.86Å; E511-R518 PolarHBondContact O-NH2 2.82Å
512	D	84.6	Confident	83.3	Confident	170 Å²	170	76.4 Å²	76.4	91%	0.909	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.5	-179	-70	-26.8	0	0	0	113.8	E510	E510-D512 VanDerWaalsContact C-N 3.3Å; E510-D512 PolarHBondContact O-N 2.88Å
513	L	86.3	Confident	85.4	Confident	28 Å²	28	69.1 Å²	69.1	15%	0.147	34%	0.34	C	S	.	.	S	Bend	trans	-79.4	141	176.1	-76.5	-179.5	0	0	0	111.7	F461 P462 E510 E511 R518	F461-L513 HydrophobicContact CD1-CD2 4.34Å; P462-L513 HydrophobicContact CG-CD1 3.62Å; P462-L513 HydrophobicContact CG-CG 3.91Å; E510-L513 HydrophobicContact CB-CD1 4.16Å; E510-L513 HydrophobicContact CG-CD1 4.16Å; E510-L513 PolarHBondContact O-N 3.39Å; E510-L513 VanDerWaalsContact O-N 3.16Å; E511-L513 VanDerWaalsContact C-N 3.31Å; E511-L513 PolarHBondContact O-N 2.86Å; L513-R518 HydrophobicContact CB-CG 4.24Å; L513-R518 PolarHBondContact O-NE 3.32Å; L513-R518 PolarHBondContact O-NH2 3.49Å
514	D	84.9	Confident	86.6	Confident	92 Å²	92	65.8 Å²	65.8	49%	0.492	33%	0.325	S	S	.	.			trans	-54.1	133.3	166.7	-179.5	-42	0	0	0	109.8	V516 W517 R518	D514-V516 PolarHBondContact O-N 3.49Å; D514-V516 WeakPolarHBondContact OD1-CB 3.01Å; D514-V516 WeakPolarHBondContact OD1-CG2 3.43Å; D514-V516 PolarHBondContact OD1-N 3.28Å; D514-W517 PolarHBondContact O-N 2.92Å; D514-R518 PolarHBondContact O-N 3.41Å
515	P	84.1	Confident	87.4	Confident	75 Å²	75	58.9 Å²	58.9	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-24.3	179.6	-28.8	34.4	0	0	0	116.3	W517 R520	P515-W517 VanDerWaalsContact C-N 3.28Å; P515-R520 PolarHBondContact O-NH2 3.29Å
516	V	83.3	Confident	88	Confident	77 Å²	77	58.9 Å²	58.9	47%	0.467	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.6	175.5	177.1	0	0	0	0	112.3	Q403 D514	Q403-V516 PolarHBondContact NE2-O 3.43Å; Q403-V516 VanDerWaalsContact NE2-O 3.1Å; Q403-V516 PolarHBondContact OE1-O 2.92Å; D514-V516 PolarHBondContact O-N 3.49Å; D514-V516 WeakPolarHBondContact OD1-CB 3.01Å; D514-V516 WeakPolarHBondContact OD1-CG2 3.43Å; D514-V516 PolarHBondContact OD1-N 3.28Å
517	W	87.4	Confident	88.5	Confident	83 Å²	83	56.3 Å²	56.3	31%	0.314	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1	-178.1	-68	103.8	0	0	0	114.2	Q403 R404 A439 F461 D514 P515	Q403-W517 HydrophobicContact CG-CE3 4.13Å; Q403-W517 HydrophobicContact CG-CH2 4.4Å; Q403-W517 HydrophobicContact CG-CZ3 3.7Å; R404-W517 PolarHBondContact NH1-O 2.95Å; R404-W517 PolarHBondContact NH2-O 2.79Å; A439-W517 HydrophobicContact CB-CH2 4.05Å; A439-W517 HydrophobicContact CB-CZ3 3.98Å; F461-W517 HydrophobicContact CE1-CD2 4.1Å; F461-W517 AromaticContact CE1-CE3 3.8Å; F461-W517 HydrophobicContact CE1-CE3 3.8Å; F461-W517 HydrophobicContact CE1-CG 4.44Å; F461-W517 HydrophobicContact CE1-CZ3 4.34Å; F461-W517 AromaticContact CZ-CE3 3.97Å; F461-W517 HydrophobicContact CZ-CE3 3.97Å; F461-W517 HydrophobicContact CZ-CZ3 4.03Å; D514-W517 PolarHBondContact O-N 2.92Å; P515-W517 VanDerWaalsContact C-N 3.28Å
518	R	89.7	Confident	88.9	Confident	95 Å²	95	52.9 Å²	52.9	36%	0.358	27%	0.266	S	S	.	.	S	Bend	trans	-68.7	143.1	175.3	-67.6	-174.8	-174.2	153.2	0.3	111.4	E510 E511 L513 D514 R520 N542	E510-R518 HydrophobicContact CB-CG 4.33Å; E510-R518 PolarHBondContact O-NE 3.1Å; E510-R518 WeakPolarHBondContact OE2-CA 3.16Å; E510-R518 WeakPolarHBondContact OE2-CB 3.41Å; E511-R518 PolarHBondContact O-NH2 2.82Å; L513-R518 HydrophobicContact CB-CG 4.24Å; L513-R518 PolarHBondContact O-NE 3.32Å; L513-R518 PolarHBondContact O-NH2 3.49Å; D514-R518 PolarHBondContact O-N 3.41Å; R518-R520 PolarHBondContact O-N 2.69Å; R518-N542 PolarHBondContact O-ND2 3.03Å
519	S	90.1	Very high	89	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.028	25%	0.249	C	C	.	.			trans	-70.4	117.8	-178.1	-59.2	0	0	0	0	110.8	R404 I482 E510 T541	R404-S519 PolarHBondContact NH2-OG 3.17Å; I482-S519 VanDerWaalsContact CD1-O 3.32Å; I482-S519 WeakPolarHBondContact CD1-O 3.21Å; I482-S519 VanDerWaalsContact CG1-O 3.32Å; I482-S519 WeakPolarHBondContact CG1-O 3.5Å; E510-S519 WeakPolarHBondContact OE1-CB 3.37Å; E510-S519 PolarHBondContact OE1-OG 2.86Å; E510-S519 PolarHBondContact OE2-N 3.14Å; S519-T541 WeakPolarHBondContact OG-CG2 3.26Å
520	R	87.5	Confident	88.8	Confident	93 Å²	93	51.9 Å²	51.9	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-103.9	-41.1	177.5	-59.3	-179.5	-175.6	165.3	3.2	112.5	N481 I482 P515 R518 N542	N481-R520 WeakPolarHBondContact CA-O 3.35Å; I482-R520 VanDerWaalsContact CD1-CA 3.48Å; I482-R520 HydrophobicContact CD1-CB 3.96Å; I482-R520 HydrophobicContact CD1-CG 3.76Å; I482-R520 PolarHBondContact N-O 2.82Å; P515-R520 PolarHBondContact O-NH2 3.29Å; R518-R520 PolarHBondContact O-N 2.69Å; R520-N542 PolarHBondContact N-OD1 3.48Å
521	S	89.7	Confident	88.6	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.2	174.3	51.3	0	0	0	0	108.6	V480 N481 T541 N542 K543 G597	V480-S521 CarbonylContact O-C 3.37Å; N481-S521 WeakPolarHBondContact OD1-CA 3.31Å; N481-S521 WeakPolarHBondContact OD1-CB 3.45Å; S521-T541 CarbonylContact O-C 3.59Å; S521-T541 WeakPolarHBondContact O-CA 3.47Å; S521-N542 PolarHBondContact O-N 3.31Å; S521-K543 PolarHBondContact OG-N 3.45Å; S521-G597 WeakPolarHBondContact CB-O 3.38Å; S521-G597 PolarHBondContact OG-O 2.9Å
522	V	92.9	Very high	88.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.5	-179.6	178.4	0	0	0	0	108.7	L467 H479 V480 I505 I539 I540 T541	L467-V522 HydrophobicContact CD1-CG1 4.12Å; H479-V522 WeakPolarHBondContact CA-O 3.28Å; V480-V522 PolarHBondContact N-O 2.95Å; V480-V522 PolarHBondContact O-N 2.81Å; I505-V522 HydrophobicContact CD1-CG2 3.88Å; I505-V522 HydrophobicContact CG1-CG2 4.13Å; V522-I539 HydrophobicContact CG1-CG2 3.77Å; V522-I540 CarbonylContact C-O 3.55Å; V522-I540 WeakPolarHBondContact CA-O 3.38Å; V522-T541 HydrophobicContact CG2-CG2 4.25Å
523	L	94.3	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.3	167.4	170.4	55.7	0	0	0	108.8	H479 M525 I540 F599	H479-L523 WeakPolarHBondContact CD2-CD1 3.35Å; H479-L523 WeakPolarHBondContact NE2-CD1 3.37Å; L523-M525 HydrophobicContact CD1-CG 3.66Å; L523-M525 HydrophobicContact CD1-SD 3.63Å; L523-M525 HydrophobicContact CD2-CG 4.09Å; L523-M525 HydrophobicContact CG-CG 3.71Å; L523-M525 HydrophobicContact CG-SD 4.28Å; L523-I540 HydrophobicContact CB-CB 4.27Å; L523-I540 HydrophobicContact CB-CD1 4.44Å; L523-I540 HydrophobicContact CD2-CD1 3.89Å; L523-I540 HydrophobicContact CG-CD1 4.05Å; L523-I540 PolarHBondContact N-O 2.92Å; L523-I540 WeakPolarHBondContact O-CB 3.16Å; L523-I540 PolarHBondContact O-N 3.27Å; L523-F599 HydrophobicContact CB-CB 4.32Å; L523-F599 HydrophobicContact CB-CD1 4.16Å; L523-F599 HydrophobicContact CB-CD2 3.7Å; L523-F599 HydrophobicContact CB-CE1 4.43Å; L523-F599 HydrophobicContact CB-CE2 4.01Å; L523-F599 HydrophobicContact CB-CG 3.8Å; L523-F599 HydrophobicContact CB-CZ 4.38Å; L523-F599 HydrophobicContact CD2-CD1 4.14Å; L523-F599 HydrophobicContact CD2-CG 4.34Å
524	C	95.1	Very high	89.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.4	178.3	-165.7	0	0	0	0	109.2	V471 S477 L478 V537 C538	V471-C524 HydrophobicContact CG2-CB 3.88Å; V471-C524 VanDerWaalsContact CG2-SG 3.55Å; S477-C524 WeakPolarHBondContact CA-O 3.49Å; L478-C524 HydrophobicContact CB-CB 4.29Å; L478-C524 PolarHBondContact N-O 2.84Å; L478-C524 PolarHBondContact O-N 3.21Å; C524-V537 WeakPolarHBondContact SG-CG1 3.47Å; C524-C538 CarbonylContact C-O 3.45Å; C524-C538 WeakPolarHBondContact CA-O 3.3Å
525	M	95	Very high	89.5	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.1	-170.9	-71.4	-70.1	-75	0	0	112	S477 L523 V537 C538 I540 E604 F607 E608	S477-M525 WeakPolarHBondContact CB-SD 3.1Å; L523-M525 HydrophobicContact CD1-CG 3.66Å; L523-M525 HydrophobicContact CD1-SD 3.63Å; L523-M525 HydrophobicContact CD2-CG 4.09Å; L523-M525 HydrophobicContact CG-CG 3.71Å; L523-M525 HydrophobicContact CG-SD 4.28Å; M525-V537 WeakPolarHBondContact O-CA 3.27Å; M525-C538 PolarHBondContact N-O 3.42Å; M525-C538 PolarHBondContact O-N 3.17Å; M525-I540 HydrophobicContact CG-CD1 4.41Å; M525-E604 HydrophobicContact CE-CG 4.18Å; M525-E604 HydrophobicContact SD-CG 4.09Å; M525-F607 HydrophobicContact CB-CD1 3.53Å; M525-F607 HydrophobicContact CB-CE1 3.39Å; M525-F607 HydrophobicContact CE-CB 4.34Å; M525-F607 HydrophobicContact CE-CD1 3.72Å; M525-F607 HydrophobicContact CG-CD1 3.49Å; M525-F607 VanDerWaalsContact CG-CD1 3.49Å; M525-F607 HydrophobicContact CG-CE1 3.88Å; M525-F607 HydrophobicContact CG-CG 4.37Å; M525-F607 HydrophobicContact SD-CD1 4.41Å; M525-E608 HydrophobicContact CE-CB 3.99Å
526	P	95.4	Very high	90	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139	172	31	-30.6	0	0	0	110.8	V471 G475 K528 V534	V471-P526 HydrophobicContact CG1-CB 3.71Å; V471-P526 HydrophobicContact CG1-CG 4.02Å; G475-P526 WeakPolarHBondContact O-CG 3.4Å; P526-K528 HydrophobicContact CB-CG 4.32Å; P526-V534 HydrophobicContact CB-CG1 4.25Å; P526-V534 HydrophobicContact CB-CG2 4.18Å
527	I	94.7	Very high	90.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.1	170.3	-61	175.9	0	0	0	106.9	L407 L535 A536 C538 A611 V614 I618	L407-I527 HydrophobicContact CD1-CD1 3.45Å; L407-I527 VanDerWaalsContact CD1-CD1 3.45Å; L407-I527 HydrophobicContact CG-CD1 4.1Å; I527-L535 PolarHBondContact O-N 3.49Å; I527-A536 HydrophobicContact CB-CB 4.07Å; I527-A536 WeakPolarHBondContact CB-O 3.47Å; I527-A536 HydrophobicContact CD1-CB 4.09Å; I527-A536 PolarHBondContact N-O 2.81Å; I527-A536 PolarHBondContact O-N 3.11Å; I527-C538 HydrophobicContact CD1-CB 4.31Å; I527-A611 HydrophobicContact CG1-CB 4.34Å; I527-V614 HydrophobicContact CD1-CG1 3.95Å; I527-V614 HydrophobicContact CG2-CB 4.13Å; I527-V614 HydrophobicContact CG2-CG1 3.86Å; I527-I618 HydrophobicContact CG2-CD1 4.22Å
528	K	90	Very high	91	Very high	62 Å²	62	34.3 Å²	34.3	27%	0.27	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.9	-171.6	-60.6	176.7	-175	172.9	0	111.7	G475 P526 K533 V534 G615	G475-K528 WeakPolarHBondContact O-CE 3.47Å; G475-K528 PolarHBondContact O-NZ 3.22Å; P526-K528 HydrophobicContact CB-CG 4.32Å; K528-K533 CarbonylContact C-O 3.19Å; K528-K533 VanDerWaalsContact CA-O 3.28Å; K528-K533 WeakPolarHBondContact CA-O 3.26Å; K528-V534 HydrophobicContact CG-CG2 4.26Å; K528-G615 WeakPolarHBondContact O-CA 3.35Å
529	H	87.4	Confident	91.3	Very high	40 Å²	40	29.8 Å²	29.8	19%	0.185	16%	0.163	C	C	.	.			trans	-73.9	168.4	161.8	-172.8	-116	0	0	0	110.6	D531 G532 K533 L535 S619	H529-D531 WeakPolarHBondContact CB-OD1 3.48Å; H529-D531 IonicContact CE1-OD2 3.14Å; H529-D531 IonicContact CG-OD1 3.07Å; H529-D531 IonicContact ND1-OD1 2.64Å; H529-D531 PolarHBondContact ND1-OD1 2.86Å; H529-D531 VanDerWaalsContact ND1-OD1 3.13Å; H529-D531 IonicContact ND1-OD2 3.58Å; H529-D531 PolarHBondContact ND1-OD2 3.44Å; H529-D531 PolarHBondContact O-N 3.33Å; H529-G532 PolarHBondContact O-N 3.25Å; H529-K533 HydrophobicContact CB-CB 4.44Å; H529-K533 PolarHBondContact N-O 2.77Å; H529-L535 HydrophobicContact CB-CD1 3.83Å; H529-L535 HydrophobicContact CB-CD2 4.2Å; H529-L535 HydrophobicContact CB-CG 3.94Å; H529-S619 VanDerWaalsContact CD2-CB 3.46Å; H529-S619 WeakPolarHBondContact CD2-CB 3.43Å; H529-S619 PolarHBondContact CD2-OG 2.9Å; H529-S619 VanDerWaalsContact CD2-OG 3.26Å; H529-S619 PolarHBondContact NE2-OG 2.95Å
530	S	80.9	Confident	91.6	Very high	109 Å²	109	29.6 Å²	29.6	76%	0.762	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.6	-179.4	54.7	0	0	0	0	114.2	G532	S530-G532 VanDerWaalsContact C-N 3.3Å
531	D	83.1	Confident	91.9	Very high	112 Å²	112	25.2 Å²	25.2	60%	0.599	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.7	172.5	60.2	14.2	0	0	0	113.6	H529 K533	H529-D531 WeakPolarHBondContact CB-OD1 3.48Å; H529-D531 IonicContact CE1-OD2 3.14Å; H529-D531 IonicContact CG-OD1 3.07Å; H529-D531 IonicContact ND1-OD1 2.64Å; H529-D531 PolarHBondContact ND1-OD1 2.86Å; H529-D531 VanDerWaalsContact ND1-OD1 3.13Å; H529-D531 IonicContact ND1-OD2 3.58Å; H529-D531 PolarHBondContact ND1-OD2 3.44Å; H529-D531 PolarHBondContact O-N 3.33Å; D531-K533 WeakPolarHBondContact OD1-CB 3.46Å; D531-K533 PolarHBondContact OD1-N 2.97Å
532	G	84.4	Confident	92	Very high	43 Å²	43	25.2 Å²	25.2	44%	0.443	15%	0.145	S	C	.	.	S	Bend	trans	88	-5.8	-178.4	0	0	0	0	0	114.9	H529 S530 V534	H529-G532 PolarHBondContact O-N 3.25Å; S530-G532 VanDerWaalsContact C-N 3.3Å; G532-V534 PolarHBondContact O-N 3.37Å
533	K	89.2	Confident	92	Very high	109 Å²	109	25.5 Å²	25.5	47%	0.474	15%	0.146	S	C	.	.			trans	-65.7	129.3	178.3	-176.4	-179.1	179.4	178.7	0	111.1	K528 H529 D531 L535	K528-K533 CarbonylContact C-O 3.19Å; K528-K533 VanDerWaalsContact CA-O 3.28Å; K528-K533 WeakPolarHBondContact CA-O 3.26Å; H529-K533 HydrophobicContact CB-CB 4.44Å; H529-K533 PolarHBondContact N-O 2.77Å; D531-K533 WeakPolarHBondContact OD1-CB 3.46Å; D531-K533 PolarHBondContact OD1-N 2.97Å; K533-L535 PolarHBondContact O-N 2.98Å
534	V	92.4	Very high	91.6	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.097	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.3	173.4	-175.5	0	0	0	0	109.7	V410 L472 P526 K528 G532 A536 V537	V410-V534 HydrophobicContact CG2-CG1 4.45Å; L472-V534 HydrophobicContact CD1-CB 3.88Å; L472-V534 HydrophobicContact CD1-CG1 3.79Å; P526-V534 HydrophobicContact CB-CG1 4.25Å; P526-V534 HydrophobicContact CB-CG2 4.18Å; K528-V534 HydrophobicContact CG-CG2 4.26Å; G532-V534 PolarHBondContact O-N 3.37Å; V534-A536 WeakPolarHBondContact CG1-O 3.44Å; V534-V537 HydrophobicContact CG1-CG2 4.12Å
535	L	92.3	Very high	91	Very high	14 Å²	14	28.9 Å²	28.9	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-32.3	177.5	-61.7	-179.6	0	0	0	112.2	V410 I527 H529 K533 G615 I618	V410-L535 WeakPolarHBondContact CB-O 3.42Å; V410-L535 WeakPolarHBondContact CG2-O 3.34Å; V410-L535 PolarHBondContact N-O 3.43Å; I527-L535 PolarHBondContact O-N 3.49Å; H529-L535 HydrophobicContact CB-CD1 3.83Å; H529-L535 HydrophobicContact CB-CD2 4.2Å; H529-L535 HydrophobicContact CB-CG 3.94Å; K533-L535 PolarHBondContact O-N 2.98Å; L535-G615 WeakPolarHBondContact CD1-O 3.39Å; L535-I618 HydrophobicContact CB-CG2 4.39Å; L535-I618 HydrophobicContact CD1-CB 4.42Å; L535-I618 HydrophobicContact CD1-CG2 4.31Å
536	A	94.8	Very high	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	165.5	179.7	0	0	0	0	0	110.8	L407 L408 L409 I527 V534 I618	L407-A536 HydrophobicContact CD2-CB 3.7Å; L407-A536 HydrophobicContact CG-CB 4.1Å; L408-A536 CarbonylContact O-C 3.6Å; L408-A536 WeakPolarHBondContact O-CA 3.34Å; L408-A536 VanDerWaalsContact O-CB 3.3Å; L408-A536 WeakPolarHBondContact O-CB 3.3Å; L409-A536 HydrophobicContact CD1-CB 4.31Å; I527-A536 HydrophobicContact CB-CB 4.07Å; I527-A536 WeakPolarHBondContact CB-O 3.47Å; I527-A536 HydrophobicContact CD1-CB 4.09Å; I527-A536 PolarHBondContact N-O 2.81Å; I527-A536 PolarHBondContact O-N 3.11Å; V534-A536 WeakPolarHBondContact CG1-O 3.44Å; A536-I618 HydrophobicContact CB-CD1 4.14Å
537	V	95.7	Very high	88.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.3	172.8	179.7	0	0	0	0	108.2	L407 L408 F432 A468 V471 L472 C524 M525 V534	L407-V537 WeakPolarHBondContact CA-O 3.46Å; L408-V537 PolarHBondContact N-O 3.1Å; L408-V537 PolarHBondContact O-N 2.63Å; F432-V537 HydrophobicContact CE1-CB 4.35Å; F432-V537 HydrophobicContact CE1-CG2 4Å; F432-V537 HydrophobicContact CZ-CG2 4.27Å; A468-V537 HydrophobicContact CB-CG1 4.14Å; V471-V537 HydrophobicContact CB-CG1 4.19Å; V471-V537 HydrophobicContact CG1-CG1 3.95Å; V471-V537 HydrophobicContact CG1-CG2 4.24Å; L472-V537 HydrophobicContact CB-CG2 4.33Å; C524-V537 WeakPolarHBondContact SG-CG1 3.47Å; M525-V537 WeakPolarHBondContact O-CA 3.27Å; V534-V537 HydrophobicContact CG1-CG2 4.12Å
538	C	96.8	Very high	87.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.4	170.7	167.1	0	0	0	0	109.5	C405 Q406 C524 M525 I527 I540 F607	C405-C538 WeakPolarHBondContact CB-SG 3.25Å; C405-C538 WeakPolarHBondContact SG-CB 3.46Å; C405-C538 CovalentContact SG-SG 2.11Å; C405-C538 PolarHBondContact SG-SG 3.4Å; Q406-C538 CarbonylContact O-C 3.59Å; Q406-C538 VanDerWaalsContact O-CA 3.23Å; Q406-C538 WeakPolarHBondContact O-CA 3.27Å; C524-C538 CarbonylContact C-O 3.45Å; C524-C538 WeakPolarHBondContact CA-O 3.3Å; M525-C538 PolarHBondContact N-O 3.42Å; M525-C538 PolarHBondContact O-N 3.17Å; I527-C538 HydrophobicContact CD1-CB 4.31Å; C538-I540 WeakPolarHBondContact SG-CG1 3.5Å; C538-F607 HydrophobicContact CB-CE1 4.4Å; C538-F607 HydrophobicContact CB-CZ 3.87Å
539	I	96	Very high	86.1	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.7	173.1	-53.6	175.9	0	0	0	106.6	C405 Q406 L408 V463 A468 V522	C405-I539 CarbonylContact C-O 3.49Å; C405-I539 WeakPolarHBondContact CA-O 3.15Å; Q406-I539 PolarHBondContact N-O 3.25Å; Q406-I539 PolarHBondContact O-N 3.3Å; L408-I539 HydrophobicContact CD1-CD1 3.69Å; L408-I539 HydrophobicContact CD1-CG1 4Å; V463-I539 HydrophobicContact CG1-CD1 4.28Å; A468-I539 HydrophobicContact CB-CD1 4.21Å; V522-I539 HydrophobicContact CG1-CG2 3.77Å
540	I	95.8	Very high	84.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.4	-178.5	-51.1	157.4	0	0	0	107.2	T396 L400 C402 C405 V522 L523 M525 C538 F599 F607	T396-I540 HydrophobicContact CG2-CD1 4.16Å; T396-I540 HydrophobicContact CG2-CG1 4.1Å; L400-I540 HydrophobicContact CD1-CD1 3.4Å; L400-I540 VanDerWaalsContact CD1-CD1 3.4Å; L400-I540 HydrophobicContact CD1-CG1 4.35Å; L400-I540 HydrophobicContact CD1-CG2 4.22Å; C402-I540 HydrophobicContact CB-CG2 3.56Å; C402-I540 WeakPolarHBondContact SG-CG2 3.13Å; C405-I540 HydrophobicContact CB-CG1 4.16Å; V522-I540 CarbonylContact C-O 3.55Å; V522-I540 WeakPolarHBondContact CA-O 3.38Å; L523-I540 HydrophobicContact CB-CB 4.27Å; L523-I540 HydrophobicContact CB-CD1 4.44Å; L523-I540 HydrophobicContact CD2-CD1 3.89Å; L523-I540 HydrophobicContact CG-CD1 4.05Å; L523-I540 PolarHBondContact N-O 2.92Å; L523-I540 WeakPolarHBondContact O-CB 3.16Å; L523-I540 PolarHBondContact O-N 3.27Å; M525-I540 HydrophobicContact CG-CD1 4.41Å; C538-I540 WeakPolarHBondContact SG-CG1 3.5Å; I540-F599 HydrophobicContact CB-CE1 4.48Å; I540-F599 HydrophobicContact CB-CZ 4.16Å; I540-F599 HydrophobicContact CG2-CE1 3.77Å; I540-F599 HydrophobicContact CG2-CZ 3.59Å; I540-F607 HydrophobicContact CD1-CD1 4.38Å; I540-F607 HydrophobicContact CD1-CD2 4.01Å; I540-F607 HydrophobicContact CD1-CE1 4.46Å; I540-F607 HydrophobicContact CD1-CE2 4.11Å; I540-F607 HydrophobicContact CD1-CG 4.13Å; I540-F607 HydrophobicContact CD1-CZ 4.32Å
541	T	94.2	Very high	82.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.7	-172.8	-46.1	0	0	0	0	111.2	Q403 R404 S519 S521 V522	Q403-T541 PolarHBondContact N-O 3.5Å; R404-T541 HydrophobicContact CG-CG2 4.45Å; R404-T541 PolarHBondContact N-O 3.45Å; R404-T541 PolarHBondContact NE-OG1 3.23Å; R404-T541 PolarHBondContact O-N 2.93Å; S519-T541 WeakPolarHBondContact OG-CG2 3.26Å; S521-T541 CarbonylContact O-C 3.59Å; S521-T541 WeakPolarHBondContact O-CA 3.47Å; V522-T541 HydrophobicContact CG2-CG2 4.25Å
542	N	92.1	Very high	80.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.8	95	169.7	-71.9	-4.2	0	0	0	113.6	C402 Q403 R518 R520 S521 W595	C402-N542 CarbonylContact C-O 3.54Å; C402-N542 VanDerWaalsContact CA-O 3.25Å; C402-N542 WeakPolarHBondContact CA-O 3.47Å; Q403-N542 HydrophobicContact CB-CB 3.68Å; Q403-N542 PolarHBondContact N-O 3.22Å; Q403-N542 VanDerWaalsContact OE1-CB 3.31Å; Q403-N542 PolarHBondContact OE1-ND2 3.28Å; R518-N542 PolarHBondContact O-ND2 3.03Å; R520-N542 PolarHBondContact N-OD1 3.48Å; S521-N542 PolarHBondContact O-N 3.31Å; N542-W595 HydrophobicContact CB-CB 4.06Å
543	K	91.6	Very high	78.4	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139	178.4	178.2	67.4	179.1	114.4	0	111.6	L400 S521 W595 G597 F599	L400-K543 WeakPolarHBondContact O-CD 3.43Å; L400-K543 WeakPolarHBondContact O-CE 3.32Å; L400-K543 PolarHBondContact O-NZ 2.85Å; S521-K543 PolarHBondContact OG-N 3.45Å; K543-W595 CarbonylContact O-C 3.53Å; K543-W595 WeakPolarHBondContact O-CA 3.44Å; K543-G597 WeakPolarHBondContact O-CA 3.43Å; K543-G597 PolarHBondContact O-N 3.47Å; K543-F599 HydrophobicContact CB-CD1 4.1Å; K543-F599 HydrophobicContact CB-CD2 4.33Å; K543-F599 HydrophobicContact CB-CE1 3.91Å; K543-F599 HydrophobicContact CB-CE2 4.14Å; K543-F599 HydrophobicContact CB-CG 4.29Å; K543-F599 HydrophobicContact CB-CZ 3.9Å; K543-F599 HydrophobicContact CD-CD1 4Å; K543-F599 HydrophobicContact CD-CE1 3.92Å; K543-F599 HydrophobicContact CG-CD1 4.29Å; K543-F599 HydrophobicContact CG-CE1 4.36Å
544	S	87.6	Confident	75.8	Confident	5 Å²	5	38 Å²	38	4%	0.035	20%	0.202	C	C	.	.			trans	-68.1	139.5	170.7	174.9	0	0	0	0	111.4	Q401 V546 D594	Q401-S544 WeakPolarHBondContact O-CB 3.17Å; Q401-S544 PolarHBondContact O-N 3.41Å; S544-V546 PolarHBondContact O-N 3.42Å; S544-V546 PolarHBondContact OG-N 3.05Å; S544-V546 VanDerWaalsContact OG-N 3.08Å; S544-V546 PolarHBondContact OG-O 2.94Å; S544-D594 WeakPolarHBondContact CA-O 3.45Å
545	T	80.7	Confident	73.3	Confident	67 Å²	67	39 Å²	39	41%	0.411	21%	0.205	S	C	.	.	S	Bend	trans	-68	-22.2	170.7	54.6	0	0	0	0	112.7	D594 S596	T545-D594 WeakPolarHBondContact CG2-OD2 3.49Å; T545-D594 PolarHBondContact N-O 3.2Å; T545-D594 WeakPolarHBondContact OG1-CB 3.31Å; T545-D594 VanDerWaalsContact OG1-CG 3.28Å; T545-D594 PolarHBondContact OG1-O 2.96Å; T545-D594 PolarHBondContact OG1-OD2 2.89Å; T545-S596 WeakPolarHBondContact CG2-OG 3.28Å
546	V	73.9	Confident	70.7	Confident	42 Å²	42	41.1 Å²	41.1	26%	0.255	22%	0.222	S	C	.	.			trans	-92.3	113.4	177.4	-178	0	0	0	0	109.9	Q401 S544 L548 S591	Q401-V546 PolarHBondContact OE1-O 3.07Å; S544-V546 PolarHBondContact O-N 3.42Å; S544-V546 PolarHBondContact OG-N 3.05Å; S544-V546 VanDerWaalsContact OG-N 3.08Å; S544-V546 PolarHBondContact OG-O 2.94Å; V546-L548 HydrophobicContact CG1-CD2 3.82Å; V546-S591 WeakPolarHBondContact CG2-O 3.5Å
547	D	69.4	Low	68	Low	32 Å²	32	45.8 Å²	45.8	17%	0.171	24%	0.243	C	C	.	.			trans	-92.6	98.1	171.8	-170.5	-7.8	0	0	0	111.8	R204 Q401 R549 I550	R204-D547 IonicContact NH1-OD2 3.38Å; Q401-D547 PolarHBondContact OE1-OD1 3.22Å; D547-R549 VanDerWaalsContact CG-NE 3.33Å; D547-R549 PolarHBondContact O-N 3.04Å; D547-R549 VanDerWaalsContact O-N 3.13Å; D547-R549 WeakPolarHBondContact OD1-CB 3.39Å; D547-R549 VanDerWaalsContact OD1-CG 3.27Å; D547-R549 WeakPolarHBondContact OD1-CG 3.45Å; D547-R549 IonicContact OD1-CZ 3.17Å; D547-R549 PolarHBondContact OD1-N 3.1Å; D547-R549 IonicContact OD1-NE 2.75Å; D547-R549 PolarHBondContact OD1-NE 3.17Å; D547-R549 IonicContact OD1-NH2 3.22Å; D547-R549 IonicContact OD2-CZ 3.36Å; D547-R549 IonicContact OD2-NE 3.21Å; D547-R549 PolarHBondContact OD2-NE 3.37Å; D547-R549 VanDerWaalsContact OD2-NE 3.13Å; D547-R549 IonicContact OD2-NH2 3.66Å; D547-R549 PolarHBondContact OD2-NH2 2.92Å; D547-I550 HydrophobicContact CB-CD1 3.75Å; D547-I550 HydrophobicContact CB-CG1 3.96Å; D547-I550 PolarHBondContact O-N 3.01Å; D547-I550 VanDerWaalsContact O-N 3.16Å
548	L	67	Low	65.1	Low	25 Å²	25	49.6 Å²	49.6	13%	0.131	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11	178.8	-50.3	170.7	0	0	0	113.8	V546 I550 M588 I592	V546-L548 HydrophobicContact CG1-CD2 3.82Å; L548-I550 PolarHBondContact O-N 3.21Å; L548-M588 HydrophobicContact CD2-CE 3.59Å; L548-I592 HydrophobicContact CD1-CD1 3.72Å; L548-I592 HydrophobicContact CD1-CG1 4.39Å; L548-I592 HydrophobicContact CD2-CD1 4.26Å; L548-I592 HydrophobicContact CD2-CG1 4.42Å; L548-I592 HydrophobicContact CG-CD1 4.47Å
549	R	63.2	Low	62.4	Low	59 Å²	59	50.7 Å²	50.7	22%	0.223	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.5	175.7	-55.8	168.9	-64.9	-165.2	2.8	111.5	D547 F555 D603	D547-R549 VanDerWaalsContact CG-NE 3.33Å; D547-R549 PolarHBondContact O-N 3.04Å; D547-R549 VanDerWaalsContact O-N 3.13Å; D547-R549 WeakPolarHBondContact OD1-CB 3.39Å; D547-R549 VanDerWaalsContact OD1-CG 3.27Å; D547-R549 WeakPolarHBondContact OD1-CG 3.45Å; D547-R549 IonicContact OD1-CZ 3.17Å; D547-R549 PolarHBondContact OD1-N 3.1Å; D547-R549 IonicContact OD1-NE 2.75Å; D547-R549 PolarHBondContact OD1-NE 3.17Å; D547-R549 IonicContact OD1-NH2 3.22Å; D547-R549 IonicContact OD2-CZ 3.36Å; D547-R549 IonicContact OD2-NE 3.21Å; D547-R549 PolarHBondContact OD2-NE 3.37Å; D547-R549 VanDerWaalsContact OD2-NE 3.13Å; D547-R549 IonicContact OD2-NH2 3.66Å; D547-R549 PolarHBondContact OD2-NH2 2.92Å; R549-F555 HydrophobicContact CG-CE1 4.26Å; R549-F555 HydrophobicContact CG-CZ 4.34Å; R549-D603 IonicContact CZ-OD1 2.62Å; R549-D603 IonicContact NH1-OD1 3.98Å; R549-D603 PolarHBondContact NH1-OD1 3.09Å; R549-D603 IonicContact NH2-OD1 3.54Å; R549-D603 PolarHBondContact NH2-OD1 3.36Å
550	I	53.5	Low	59.5	Low	89 Å²	89	54.4 Å²	54.4	46%	0.456	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-41.8	-174.9	-55.1	-179.3	0	0	0	111.6	D547 L548	D547-I550 HydrophobicContact CB-CD1 3.75Å; D547-I550 HydrophobicContact CB-CG1 3.96Å; D547-I550 PolarHBondContact O-N 3.01Å; D547-I550 VanDerWaalsContact O-N 3.16Å; L548-I550 PolarHBondContact O-N 3.21Å
551	N	41.8	Very low	56.4	Low	129 Å²	129	63.1 Å²	63.1	69%	0.69	32%	0.324	S	S	*	.	S	Bend	trans	-110	75.3	-173.7	-77.5	-6	0	0	0	110.7
552	N	39.4	Very low	53.5	Low	71 Å²	71	70 Å²	70	38%	0.38	36%	0.355	S	S	.	.			trans	179.2	121.4	152.3	-95.8	-27.7	0	0	0	113.5	N554 F555	N552-N554 HydrophobicContact CB-CB 4.33Å; N552-N554 PolarHBondContact O-N 3.31Å; N552-F555 HydrophobicContact CB-CB 4.42Å; N552-F555 PolarHBondContact O-N 3.3Å
553	N	38.4	Very low	50.9	Low	162 Å²	162	72.4 Å²	72.4	87%	0.866	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-7.4	154.8	-80.9	-22.5	0	0	0	112.9
554	N	35	Very low	47.8	Very low	77 Å²	77	78 Å²	78	41%	0.412	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	7.1	178.3	-70.2	-25.4	0	0	0	114.4	N552 S556 Q557 Q558	N552-N554 HydrophobicContact CB-CB 4.33Å; N552-N554 PolarHBondContact O-N 3.31Å; N554-S556 PolarHBondContact O-N 3.13Å; N554-Q557 WeakPolarHBondContact O-CA 3.4Å; N554-Q557 PolarHBondContact O-N 2.91Å; N554-Q558 PolarHBondContact O-N 2.92Å
555	F	39.2	Very low	45	Very low	36 Å²	36	84.2 Å²	84.2	16%	0.158	42%	0.423	C	S	.	.	H	α-helix	trans	-60.8	-35.2	177.5	-165.4	-121.1	0	0	0	110.5	Y366 R549 N552 Q557 Q558 V559	Y366-F555 HydrophobicContact CE1-CD1 4.16Å; Y366-F555 AromaticContact CZ-CD1 3.95Å; Y366-F555 WeakPolarHBondContact OH-CD1 3.29Å; R549-F555 HydrophobicContact CG-CE1 4.26Å; R549-F555 HydrophobicContact CG-CZ 4.34Å; N552-F555 HydrophobicContact CB-CB 4.42Å; N552-F555 PolarHBondContact O-N 3.3Å; F555-Q557 VanDerWaalsContact C-N 3.3Å; F555-Q557 PolarHBondContact O-N 2.9Å; F555-Q558 PolarHBondContact O-N 3.38Å; F555-V559 HydrophobicContact CD1-CG2 3.81Å; F555-V559 HydrophobicContact CD2-CG2 4.17Å; F555-V559 HydrophobicContact CE1-CG2 3.51Å; F555-V559 HydrophobicContact CE2-CG2 3.94Å; F555-V559 HydrophobicContact CG-CG2 4.08Å; F555-V559 HydrophobicContact CZ-CG2 3.58Å; F555-V559 WeakPolarHBondContact O-CB 3.4Å; F555-V559 WeakPolarHBondContact O-CG2 3.43Å; F555-V559 PolarHBondContact O-N 2.96Å
556	S	38.5	Very low	42.3	Very low	60 Å²	60	89.1 Å²	89.1	42%	0.42	44%	0.438	S	S	.	.	H	α-helix	trans	-56.1	-39.3	169.7	-49.6	0	0	0	0	113.6	Y366 N554 T560	Y366-S556 WeakPolarHBondContact CE2-OG 3.4Å; N554-S556 PolarHBondContact O-N 3.13Å; S556-T560 PolarHBondContact O-N 3.49Å; S556-T560 VanDerWaalsContact O-N 3.16Å; S556-T560 PolarHBondContact O-OG1 3.43Å
557	Q	37.4	Very low	39.8	Very low	97 Å²	97	92.4 Å²	92.4	45%	0.453	46%	0.46	S	S	.	.	H	α-helix	trans	-77.7	-30.9	177.6	-72.6	-173.9	8.2	0	0	112.9	N554 F555 T560 R561	N554-Q557 WeakPolarHBondContact O-CA 3.4Å; N554-Q557 PolarHBondContact O-N 2.91Å; F555-Q557 VanDerWaalsContact C-N 3.3Å; F555-Q557 PolarHBondContact O-N 2.9Å; Q557-T560 WeakPolarHBondContact CA-OG1 3.42Å; Q557-T560 PolarHBondContact O-OG1 3.36Å; Q557-R561 WeakPolarHBondContact O-CB 3.36Å; Q557-R561 WeakPolarHBondContact O-CG 3.26Å; Q557-R561 PolarHBondContact O-N 3.39Å
558	Q	36.6	Very low	37.6	Very low	80 Å²	80	97.6 Å²	97.6	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-81	-37	178.2	-77.3	-177.8	-6.1	0	0	112.7	N554 F555 R561 H562	N554-Q558 PolarHBondContact O-N 2.92Å; F555-Q558 PolarHBondContact O-N 3.38Å; Q558-R561 PolarHBondContact O-N 3.26Å; Q558-H562 WeakPolarHBondContact O-CB 3.4Å; Q558-H562 PolarHBondContact O-N 3.35Å
559	V	39.3	Very low	35.5	Very low	25 Å²	25	101.9 Å²	101.9	15%	0.152	52%	0.52	C	S	.	.	H	α-helix	trans	-55.1	-59.9	166	162.7	0	0	0	0	107.7	F555 R561 H562 F563	F555-V559 HydrophobicContact CD1-CG2 3.81Å; F555-V559 HydrophobicContact CD2-CG2 4.17Å; F555-V559 HydrophobicContact CE1-CG2 3.51Å; F555-V559 HydrophobicContact CE2-CG2 3.94Å; F555-V559 HydrophobicContact CG-CG2 4.08Å; F555-V559 HydrophobicContact CZ-CG2 3.58Å; F555-V559 WeakPolarHBondContact O-CB 3.4Å; F555-V559 WeakPolarHBondContact O-CG2 3.43Å; F555-V559 PolarHBondContact O-N 2.96Å; V559-R561 PolarHBondContact O-N 3.23Å; V559-H562 PolarHBondContact O-N 2.86Å; V559-F563 HydrophobicContact CB-CD2 4.08Å; V559-F563 HydrophobicContact CB-CE2 4.05Å; V559-F563 HydrophobicContact CG1-CD2 3.45Å; V559-F563 VanDerWaalsContact CG1-CD2 3.45Å; V559-F563 HydrophobicContact CG1-CE2 3.52Å; V559-F563 HydrophobicContact CG2-CE2 4.33Å; V559-F563 VanDerWaalsContact O-CB 3.32Å; V559-F563 WeakPolarHBondContact O-CB 3.48Å; V559-F563 WeakPolarHBondContact O-CD2 3.39Å; V559-F563 WeakPolarHBondContact O-CG 3.35Å; V559-F563 PolarHBondContact O-N 2.91Å
560	T	34.8	Very low	33.6	Very low	79 Å²	79	105.9 Å²	105.9	49%	0.485	55%	0.546	S	S	.	.	H	α-helix	trans	-60.6	-36.8	178.7	40.4	0	0	0	0	114.4	S556 Q557 F563 D564	S556-T560 PolarHBondContact O-N 3.49Å; S556-T560 VanDerWaalsContact O-N 3.16Å; S556-T560 PolarHBondContact O-OG1 3.43Å; Q557-T560 WeakPolarHBondContact CA-OG1 3.42Å; Q557-T560 PolarHBondContact O-OG1 3.36Å; T560-F563 PolarHBondContact O-N 3.37Å; T560-D564 PolarHBondContact O-N 3.35Å
561	R	30.2	Very low	32.2	Very low	183 Å²	183	108.1 Å²	108.1	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-74.1	-24.8	177.5	-76.4	176.8	-176	-179.5	4.8	115.1	Q557 Q558 V559	Q557-R561 WeakPolarHBondContact O-CB 3.36Å; Q557-R561 WeakPolarHBondContact O-CG 3.26Å; Q557-R561 PolarHBondContact O-N 3.39Å; Q558-R561 PolarHBondContact O-N 3.26Å; V559-R561 PolarHBondContact O-N 3.23Å
562	H	34	Very low	31.4	Very low	144 Å²	144	108.5 Å²	108.5	67%	0.667	57%	0.566	S	S	*	*	H	α-helix	trans	-89.3	-18.9	170	-82	-5	0	0	0	112.7	Q558 V559 F565	Q558-H562 WeakPolarHBondContact O-CB 3.4Å; Q558-H562 PolarHBondContact O-N 3.35Å; V559-H562 PolarHBondContact O-N 2.86Å; H562-F565 WeakPolarHBondContact O-CE2 3.45Å
563	F	37.5	Very low	30.5	Very low	52 Å²	52	113.2 Å²	113.2	23%	0.228	59%	0.585	C	S	.	*	H	α-helix	trans	-89.3	-20.8	176.5	-70.4	-56.6	0	0	0	114.4	I377 H395 V559 T560 F565	I377-F563 HydrophobicContact CD1-CD1 4.27Å; H395-F563 AromaticContact CD2-CD1 3.78Å; H395-F563 AromaticContact CD2-CE1 3.04Å; H395-F563 WeakPolarHBondContact CD2-CE1 3.49Å; H395-F563 AromaticContact CD2-CZ 3.65Å; H395-F563 AromaticContact NE2-CD1 3.31Å; H395-F563 VanDerWaalsContact NE2-CD1 3.31Å; H395-F563 WeakPolarHBondContact NE2-CD1 3.19Å; H395-F563 AromaticContact NE2-CE1 3.06Å; H395-F563 WeakPolarHBondContact NE2-CE1 3.46Å; V559-F563 HydrophobicContact CB-CD2 4.08Å; V559-F563 HydrophobicContact CB-CE2 4.05Å; V559-F563 HydrophobicContact CG1-CD2 3.45Å; V559-F563 VanDerWaalsContact CG1-CD2 3.45Å; V559-F563 HydrophobicContact CG1-CE2 3.52Å; V559-F563 HydrophobicContact CG2-CE2 4.33Å; V559-F563 VanDerWaalsContact O-CB 3.32Å; V559-F563 WeakPolarHBondContact O-CB 3.48Å; V559-F563 WeakPolarHBondContact O-CD2 3.39Å; V559-F563 WeakPolarHBondContact O-CG 3.35Å; V559-F563 PolarHBondContact O-N 2.91Å; T560-F563 PolarHBondContact O-N 3.37Å; F563-F565 VanDerWaalsContact C-N 3.27Å; F563-F565 PolarHBondContact O-N 3.46Å
564	D	25.7	Very low	29.8	Very low	123 Å²	123	111 Å²	111	66%	0.658	58%	0.582	S	S	*	*			trans	-75.3	77.2	166.2	-91.5	-24.8	0	0	0	110.7	T560 K566	T560-D564 PolarHBondContact O-N 3.35Å; D564-K566 PolarHBondContact O-N 3.02Å
565	F	30.5	Very low	29.2	Very low	137 Å²	137	112.7 Å²	112.7	60%	0.601	60%	0.599	S	S	*	*			trans	-70.2	59.2	164	-75.3	-87.8	0	0	0	110.7	H562 F563	H562-F565 WeakPolarHBondContact O-CE2 3.45Å; F563-F565 VanDerWaalsContact C-N 3.27Å; F563-F565 PolarHBondContact O-N 3.46Å
566	K	22.1	Very low	28.3	Very low	170 Å²	170	116 Å²	116	74%	0.739	63%	0.627	S	S	*	*			trans	-82.2	135.4	151.5	-79.2	-175.5	179.3	173.5	0	107.2	D564 V568	D564-K566 PolarHBondContact O-N 3.02Å; K566-V568 PolarHBondContact O-N 3.34Å; K566-V568 VanDerWaalsContact O-N 3.09Å
567	P	22.7	Very low	27.5	Very low	110 Å²	110	120 Å²	120	71%	0.714	64%	0.644	S	S	*	*			trans	-54.8	124.7	-179.1	22.9	-31.3	0	0	0	107.9	T569	P567-T569 PolarHBondContact O-N 3.44Å
568	V	23.2	Very low	27	Very low	142 Å²	142	122.7 Å²	122.7	86%	0.861	66%	0.661	S	S	*	*			trans	-61.9	88.8	165.9	176.9	0	0	0	0	105.4	K566 D570	K566-V568 PolarHBondContact O-N 3.34Å; K566-V568 VanDerWaalsContact O-N 3.09Å; V568-D570 PolarHBondContact O-N 3.25Å
569	T	22.2	Very low	26.3	Very low	114 Å²	114	126.9 Å²	126.9	70%	0.699	69%	0.686	S	S	*	*			trans	-67.8	117.6	163.2	50.8	0	0	0	0	105.3	P567 N571	P567-T569 PolarHBondContact O-N 3.44Å; T569-N571 PolarHBondContact O-N 2.92Å
570	D	24.5	Very low	25.7	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	72%	0.72	S	S	*	*	S	Bend	trans	-34.6	112.5	169	-65.3	-46.2	0	0	0	110.1	V568	V568-D570 PolarHBondContact O-N 3.25Å
571	N	22.8	Very low	25.2	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	73%	0.729	S	S	*	*			trans	169.4	70.3	156.4	-82.8	-23	0	0	0	110.2	T569	T569-N571 PolarHBondContact O-N 2.92Å
572	V	25.6	Very low	24.9	Very low	136 Å²	136	130.9 Å²	130.9	82%	0.824	73%	0.733	S	S	*	*			trans	-109.3	75.3	147.4	-175.2	0	0	0	0	106.5	C574	V572-C574 PolarHBondContact O-N 3.34Å
573	Q	20.6	Very low	24.4	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.794	74%	0.743	S	S	*	*			trans	-72.4	105.9	156.6	-82	179.7	-26.3	0	0	106.6	S575	Q573-S575 VanDerWaalsContact C-N 3.33Å; Q573-S575 PolarHBondContact O-N 2.96Å
574	C	22.8	Very low	23.7	Very low	117 Å²	117	139.8 Å²	139.8	79%	0.791	77%	0.772	S	S	*	*			trans	-65.7	95.5	166.7	-72.4	0	0	0	0	108.5	V572 S576	V572-C574 PolarHBondContact O-N 3.34Å; C574-S576 PolarHBondContact O-N 2.82Å
575	S	22.5	Very low	23.7	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	78%	0.777	S	S	*	*			trans	-70.7	122.5	167.1	50.6	0	0	0	0	109.6	Q573 N577	Q573-S575 VanDerWaalsContact C-N 3.33Å; Q573-S575 PolarHBondContact O-N 2.96Å; S575-N577 PolarHBondContact O-N 3.23Å
576	S	21.8	Very low	23.5	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	79%	0.787	S	S	*	*			trans	-49.7	121.7	172.8	-43.6	0	0	0	0	112.7	C574	C574-S576 PolarHBondContact O-N 2.82Å
577	N	20.9	Very low	23.6	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	79%	0.785	S	S	*	*			trans	165.4	103.8	138.2	-83.9	-12	0	0	0	108.7	S575	S575-N577 PolarHBondContact O-N 3.23Å
578	D	26.2	Very low	23.9	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	77%	0.771	S	S	*	*				168.8	135.9	111.8	-87.1	-22.8	0	0	0	111.5	L580	D578-L580 PolarHBondContact O-N 3.38Å
579	N	22.3	Very low	24.5	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	76%	0.759	S	S	*	*			trans	-65.1	108.7	-173.6	-61.7	-58.1	0	0	0	111.7
580	L	27.4	Very low	25.3	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	76%	0.758	S	S	*	*			trans	-143	117.9	148.5	-163.3	61.1	0	0	0	109.7	D578 S582	D578-L580 PolarHBondContact O-N 3.38Å; L580-S582 PolarHBondContact O-N 2.91Å
581	S	23.9	Very low	26.5	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	75%	0.745	S	S	*	*			trans	-52	125.8	-175.5	51.3	0	0	0	0	113.6
582	S	22.9	Very low	28.3	Very low	109 Å²	109	124 Å²	124	76%	0.762	72%	0.717	S	S	*	*			trans	48.8	69.3	144.5	66.4	0	0	0	0	116.8	L580	L580-S582 PolarHBondContact O-N 2.91Å
583	K	24.4	Very low	30.4	Very low	205 Å²	205	122 Å²	122	89%	0.891	70%	0.701	S	S	*	*			trans	-119.3	94.9	139	-79.6	-173.6	176.8	-179.7	0	106.7
584	E	22.3	Very low	33.3	Very low	179 Å²	179	117.1 Å²	117.1	84%	0.836	68%	0.681	S	S	*	*			trans	-53.1	134.3	166.3	-71.7	-177.1	155.7	0	0	108.4	V586	E584-V586 PolarHBondContact O-N 2.89Å; E584-V586 VanDerWaalsContact O-N 3.14Å
585	P	25.4	Very low	36.4	Very low	118 Å²	118	112.3 Å²	112.3	77%	0.766	65%	0.646	S	S	*	*			trans	-61.9	120.9	177.7	25.4	-31.4	0	0	0	108.1	T587	P585-T587 PolarHBondContact O-N 3.04Å
586	V	26.7	Very low	39.3	Very low	131 Å²	131	110 Å²	110	79%	0.794	63%	0.63	S	S	*	*			trans	-48.4	112.4	176.6	177.7	0	0	0	0	108.6	E584 M588	E584-V586 PolarHBondContact O-N 2.89Å; E584-V586 VanDerWaalsContact O-N 3.14Å; V586-M588 VanDerWaalsContact C-N 3.25Å; V586-M588 HydrophobicContact CG1-CG 4.49Å; V586-M588 PolarHBondContact O-N 3.33Å
587	T	24	Very low	42.3	Very low	114 Å²	114	105.4 Å²	105.4	70%	0.699	60%	0.599	S	S	*	*			trans	-67.7	79.8	178.4	14.6	0	0	0	0	109.4	P585 S589	P585-T587 PolarHBondContact O-N 3.04Å; T587-S589 PolarHBondContact O-N 3.42Å
588	M	29.1	Very low	45.4	Very low	85 Å²	85	103.6 Å²	103.6	42%	0.419	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	-7	179.3	-99.4	-83.6	-75.7	0	0	114.4	L548 V586	L548-M588 HydrophobicContact CD2-CE 3.59Å; V586-M588 VanDerWaalsContact C-N 3.25Å; V586-M588 HydrophobicContact CG1-CG 4.49Å; V586-M588 PolarHBondContact O-N 3.33Å
589	S	35.4	Very low	48.4	Very low	88 Å²	88	96.8 Å²	96.8	62%	0.615	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-21.7	-172.8	69.1	0	0	0	0	115	T587	T587-S589 PolarHBondContact O-N 3.42Å
590	T	40.4	Very low	51.2	Low	109 Å²	109	90.3 Å²	90.3	67%	0.669	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-24.9	-175	48.4	0	0	0	0	113.7
591	S	50	Low	53.7	Low	72 Å²	72	89.5 Å²	89.5	50%	0.503	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-84.5	-19.8	-172.9	-149.7	0	0	0	0	114.8	V546 N593	V546-S591 WeakPolarHBondContact CG2-O 3.5Å; S591-N593 VanDerWaalsContact C-N 3.27Å; S591-N593 PolarHBondContact O-N 3.46Å
592	I	59.6	Low	56.2	Low	26 Å²	26	87.5 Å²	87.5	13%	0.133	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-72.8	-17.5	179.6	-83.9	167.3	0	0	0	113.1	W440 L548 D594 W595	W440-I592 HydrophobicContact CZ2-CG2 4.1Å; L548-I592 HydrophobicContact CD1-CD1 3.72Å; L548-I592 HydrophobicContact CD1-CG1 4.39Å; L548-I592 HydrophobicContact CD2-CD1 4.26Å; L548-I592 HydrophobicContact CD2-CG1 4.42Å; L548-I592 HydrophobicContact CG-CD1 4.47Å; I592-D594 PolarHBondContact O-N 2.88Å; I592-W595 HydrophobicContact CG2-CH2 4.3Å; I592-W595 HydrophobicContact CG2-CZ2 4.39Å
593	N	68.9	Low	59.2	Low	94 Å²	94	82.4 Å²	82.4	50%	0.503	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-82.5	6.3	-170.8	-65.6	-27.2	0	0	0	114.6	S591 W595	S591-N593 VanDerWaalsContact C-N 3.27Å; S591-N593 PolarHBondContact O-N 3.46Å; N593-W595 PolarHBondContact O-N 3.22Å
594	D	83.2	Confident	62.1	Low	69 Å²	69	73.8 Å²	73.8	37%	0.369	42%	0.418	S	S	.	.			trans	-88.9	94.5	171.8	178.9	19.1	0	0	0	110.9	S544 T545 I592 S596	S544-D594 WeakPolarHBondContact CA-O 3.45Å; T545-D594 WeakPolarHBondContact CG2-OD2 3.49Å; T545-D594 PolarHBondContact N-O 3.2Å; T545-D594 WeakPolarHBondContact OG1-CB 3.31Å; T545-D594 VanDerWaalsContact OG1-CG 3.28Å; T545-D594 PolarHBondContact OG1-O 2.96Å; T545-D594 PolarHBondContact OG1-OD2 2.89Å; I592-D594 PolarHBondContact O-N 2.88Å; D594-S596 VanDerWaalsContact C-N 3.27Å; D594-S596 VanDerWaalsContact CG-OG 3.32Å; D594-S596 PolarHBondContact O-N 2.95Å; D594-S596 VanDerWaalsContact OD1-CB 3.31Å; D594-S596 WeakPolarHBondContact OD1-CB 3.42Å; D594-S596 PolarHBondContact OD1-N 3.37Å; D594-S596 PolarHBondContact OD1-OG 3.13Å; D594-S596 PolarHBondContact OD2-OG 3.33Å
595	W	87	Confident	64.9	Low	15 Å²	15	69.1 Å²	69.1	6%	0.057	40%	0.395	C	S	.	.			trans	-89.3	26.9	-179.2	-53	107.5	0	0	0	114	Q403 W440 N542 K543 I592 N593 G597	Q403-W595 HydrophobicContact CB-CD2 3.75Å; Q403-W595 HydrophobicContact CB-CE3 3.85Å; Q403-W595 HydrophobicContact CB-CG 4.18Å; Q403-W595 HydrophobicContact CB-CH2 4.46Å; Q403-W595 HydrophobicContact CB-CZ2 4.37Å; Q403-W595 HydrophobicContact CB-CZ3 4.21Å; Q403-W595 HydrophobicContact CG-CD2 3.96Å; Q403-W595 HydrophobicContact CG-CG 4.17Å; Q403-W595 HydrophobicContact CG-CZ2 4.23Å; W440-W595 HydrophobicContact CB-CH2 4.11Å; W440-W595 HydrophobicContact CB-CZ2 4.16Å; W440-W595 AromaticContact CD1-CZ2 3.95Å; W440-W595 AromaticContact CD2-CH2 3.87Å; W440-W595 HydrophobicContact CD2-CH2 3.87Å; W440-W595 HydrophobicContact CD2-CZ2 4.38Å; W440-W595 HydrophobicContact CE3-CH2 4.18Å; W440-W595 AromaticContact CG-CH2 3.78Å; W440-W595 HydrophobicContact CG-CH2 3.78Å; W440-W595 AromaticContact CG-CZ2 3.89Å; W440-W595 HydrophobicContact CG-CZ2 3.89Å; N542-W595 HydrophobicContact CB-CB 4.06Å; K543-W595 CarbonylContact O-C 3.53Å; K543-W595 WeakPolarHBondContact O-CA 3.44Å; I592-W595 HydrophobicContact CG2-CH2 4.3Å; I592-W595 HydrophobicContact CG2-CZ2 4.39Å; N593-W595 PolarHBondContact O-N 3.22Å; W595-G597 VanDerWaalsContact C-N 3.28Å
596	S	83.4	Confident	67.6	Low	65 Å²	65	64.5 Å²	64.5	46%	0.455	36%	0.363	S	S	.	.			trans	-86.7	7.1	176.7	64.7	0	0	0	0	114	T545 D594	T545-S596 WeakPolarHBondContact CG2-OG 3.28Å; D594-S596 VanDerWaalsContact C-N 3.27Å; D594-S596 VanDerWaalsContact CG-OG 3.32Å; D594-S596 PolarHBondContact O-N 2.95Å; D594-S596 VanDerWaalsContact OD1-CB 3.31Å; D594-S596 WeakPolarHBondContact OD1-CB 3.42Å; D594-S596 PolarHBondContact OD1-N 3.37Å; D594-S596 PolarHBondContact OD1-OG 3.13Å; D594-S596 PolarHBondContact OD2-OG 3.33Å
597	G	84.2	Confident	70.5	Confident	8 Å²	8	58.2 Å²	58.2	8%	0.082	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-68	161.2	179.3	0	0	0	0	0	113.4	S521 K543 W595	S521-G597 WeakPolarHBondContact CB-O 3.38Å; S521-G597 PolarHBondContact OG-O 2.9Å; K543-G597 WeakPolarHBondContact O-CA 3.43Å; K543-G597 PolarHBondContact O-N 3.47Å; W595-G597 VanDerWaalsContact C-N 3.28Å
598	I	85.8	Confident	73.5	Confident	107 Å²	107	57.8 Å²	57.8	55%	0.549	32%	0.315	S	S	.	.			trans	-115.3	135.3	178.4	-60.8	168.1	0	0	0	108.3	N481	N481-I598 WeakPolarHBondContact ND2-CG2 3.46Å
599	F	89.2	Confident	76	Confident	10 Å²	10	54.8 Å²	54.8	4%	0.044	30%	0.304	C	S	.	.			trans	-65.8	134.6	172.8	-66.1	-77	0	0	0	110.8	C402 H479 L523 I540 K543 D603	C402-F599 HydrophobicContact CB-CE1 4.27Å; C402-F599 HydrophobicContact CB-CZ 4.11Å; H479-F599 WeakPolarHBondContact NE2-CB 3.45Å; L523-F599 HydrophobicContact CB-CB 4.32Å; L523-F599 HydrophobicContact CB-CD1 4.16Å; L523-F599 HydrophobicContact CB-CD2 3.7Å; L523-F599 HydrophobicContact CB-CE1 4.43Å; L523-F599 HydrophobicContact CB-CE2 4.01Å; L523-F599 HydrophobicContact CB-CG 3.8Å; L523-F599 HydrophobicContact CB-CZ 4.38Å; L523-F599 HydrophobicContact CD2-CD1 4.14Å; L523-F599 HydrophobicContact CD2-CG 4.34Å; I540-F599 HydrophobicContact CB-CE1 4.48Å; I540-F599 HydrophobicContact CB-CZ 4.16Å; I540-F599 HydrophobicContact CG2-CE1 3.77Å; I540-F599 HydrophobicContact CG2-CZ 3.59Å; K543-F599 HydrophobicContact CB-CD1 4.1Å; K543-F599 HydrophobicContact CB-CD2 4.33Å; K543-F599 HydrophobicContact CB-CE1 3.91Å; K543-F599 HydrophobicContact CB-CE2 4.14Å; K543-F599 HydrophobicContact CB-CG 4.29Å; K543-F599 HydrophobicContact CB-CZ 3.9Å; K543-F599 HydrophobicContact CD-CD1 4Å; K543-F599 HydrophobicContact CD-CE1 3.92Å; K543-F599 HydrophobicContact CG-CD1 4.29Å; K543-F599 HydrophobicContact CG-CE1 4.36Å; F599-D603 HydrophobicContact CD1-CB 4.3Å
600	T	82.3	Confident	78.4	Confident	31 Å²	31	50.6 Å²	50.6	19%	0.19	28%	0.275	C	S	.	.			trans	-103.5	165.8	-177.3	63.7	0	0	0	0	111.4	S602 D603 E604	T600-S602 PolarHBondContact O-N 2.99Å; T600-S602 VanDerWaalsContact O-N 3.17Å; T600-S602 PolarHBondContact OG1-N 3.34Å; T600-D603 PolarHBondContact N-OD2 2.94Å; T600-D603 WeakPolarHBondContact O-CB 3.07Å; T600-D603 PolarHBondContact O-N 3.48Å; T600-D603 PolarHBondContact OG1-N 3.34Å; T600-D603 PolarHBondContact OG1-OD2 2.86Å; T600-E604 PolarHBondContact O-N 3.17Å; T600-E604 VanDerWaalsContact O-N 3.15Å
601	Y	78.9	Confident	80.8	Confident	147 Å²	147	45.6 Å²	45.6	58%	0.576	25%	0.245	S	C	*	.	H	α-helix	trans	-55.8	-30.8	170.4	-177.8	-95	0	0	0	112.4	D603 F605	Y601-D603 VanDerWaalsContact C-N 3.34Å; Y601-F605 WeakPolarHBondContact O-CB 3.42Å; Y601-F605 PolarHBondContact O-N 3.01Å
602	S	77	Confident	82.5	Confident	55 Å²	55	47.1 Å²	47.1	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-68.8	-32	175	-173.4	0	0	0	0	112.9	T600 L606	T600-S602 PolarHBondContact O-N 2.99Å; T600-S602 VanDerWaalsContact O-N 3.17Å; T600-S602 PolarHBondContact OG1-N 3.34Å; S602-L606 VanDerWaalsContact O-CB 3.25Å; S602-L606 WeakPolarHBondContact O-CB 3.35Å; S602-L606 PolarHBondContact O-N 3.02Å; S602-L606 VanDerWaalsContact O-N 3.13Å
603	D	85.1	Confident	83.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.011	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-42.9	177.1	-62	-52	0	0	0	110.5	L400 R549 F599 T600 Y601 L606 F607	L400-D603 HydrophobicContact CD2-CB 4.19Å; R549-D603 IonicContact CZ-OD1 2.62Å; R549-D603 IonicContact NH1-OD1 3.98Å; R549-D603 PolarHBondContact NH1-OD1 3.09Å; R549-D603 IonicContact NH2-OD1 3.54Å; R549-D603 PolarHBondContact NH2-OD1 3.36Å; F599-D603 HydrophobicContact CD1-CB 4.3Å; T600-D603 PolarHBondContact N-OD2 2.94Å; T600-D603 WeakPolarHBondContact O-CB 3.07Å; T600-D603 PolarHBondContact O-N 3.48Å; T600-D603 PolarHBondContact OG1-N 3.34Å; T600-D603 PolarHBondContact OG1-OD2 2.86Å; Y601-D603 VanDerWaalsContact C-N 3.34Å; D603-L606 PolarHBondContact O-N 2.76Å; D603-F607 WeakPolarHBondContact O-CB 3.34Å; D603-F607 PolarHBondContact O-N 3.18Å
604	E	85.7	Confident	84.7	Confident	25 Å²	25	44.2 Å²	44.2	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-53.2	174.2	-176	-179.2	173.9	0	0	111.4	S477 H479 M525 T600 L606 F607 E608	S477-E604 WeakPolarHBondContact CB-OE1 3.19Å; S477-E604 PolarHBondContact OG-OE1 2.91Å; H479-E604 IonicContact CE1-OE2 3.37Å; M525-E604 HydrophobicContact CE-CG 4.18Å; M525-E604 HydrophobicContact SD-CG 4.09Å; T600-E604 PolarHBondContact O-N 3.17Å; T600-E604 VanDerWaalsContact O-N 3.15Å; E604-L606 VanDerWaalsContact C-N 3.32Å; E604-L606 PolarHBondContact O-N 3.01Å; E604-F607 PolarHBondContact O-N 3.22Å; E604-E608 WeakPolarHBondContact O-CB 3.39Å; E604-E608 PolarHBondContact O-N 2.99Å
605	F	82.1	Confident	85.1	Confident	80 Å²	80	41 Å²	41	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-40.6	178.8	179.7	-90.6	0	0	0	112.6	Y601 A609	Y601-F605 WeakPolarHBondContact O-CB 3.42Å; Y601-F605 PolarHBondContact O-N 3.01Å; F605-A609 PolarHBondContact O-N 3.33Å
606	L	81.6	Confident	85.1	Confident	21 Å²	21	43.2 Å²	43.2	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-41.4	179	-177.4	61.9	0	0	0	111.6	L399 L400 S602 D603 E604 F610	L399-L606 HydrophobicContact CD1-CD1 4.23Å; L399-L606 HydrophobicContact CD1-CD2 3.67Å; L399-L606 HydrophobicContact CD1-CG 4.06Å; L399-L606 HydrophobicContact CD2-CD1 4.46Å; L399-L606 HydrophobicContact CD2-CD2 4.27Å; L399-L606 HydrophobicContact CD2-CG 3.95Å; L399-L606 HydrophobicContact CG-CD2 3.67Å; L399-L606 HydrophobicContact CG-CG 3.93Å; L400-L606 HydrophobicContact CD2-CD2 4.34Å; S602-L606 VanDerWaalsContact O-CB 3.25Å; S602-L606 WeakPolarHBondContact O-CB 3.35Å; S602-L606 PolarHBondContact O-N 3.02Å; S602-L606 VanDerWaalsContact O-N 3.13Å; D603-L606 PolarHBondContact O-N 2.76Å; E604-L606 VanDerWaalsContact C-N 3.32Å; E604-L606 PolarHBondContact O-N 3.01Å; L606-F610 PolarHBondContact O-N 3.12Å
607	F	87.6	Confident	85.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-38.2	176.8	-170.2	-96	0	0	0	112.2	T396 L400 M525 C538 I540 D603 E604 A609 F610 A611	T396-F607 HydrophobicContact CG2-CD2 3.88Å; T396-F607 HydrophobicContact CG2-CE2 3.47Å; T396-F607 VanDerWaalsContact CG2-CE2 3.47Å; T396-F607 HydrophobicContact CG2-CZ 4.49Å; L400-F607 HydrophobicContact CD1-CB 4.07Å; L400-F607 HydrophobicContact CD1-CD2 3.75Å; L400-F607 HydrophobicContact CD1-CG 4.17Å; L400-F607 HydrophobicContact CD2-CB 4.38Å; M525-F607 HydrophobicContact CB-CD1 3.53Å; M525-F607 HydrophobicContact CB-CE1 3.39Å; M525-F607 HydrophobicContact CE-CB 4.34Å; M525-F607 HydrophobicContact CE-CD1 3.72Å; M525-F607 HydrophobicContact CG-CD1 3.49Å; M525-F607 VanDerWaalsContact CG-CD1 3.49Å; M525-F607 HydrophobicContact CG-CE1 3.88Å; M525-F607 HydrophobicContact CG-CG 4.37Å; M525-F607 HydrophobicContact SD-CD1 4.41Å; C538-F607 HydrophobicContact CB-CE1 4.4Å; C538-F607 HydrophobicContact CB-CZ 3.87Å; I540-F607 HydrophobicContact CD1-CD1 4.38Å; I540-F607 HydrophobicContact CD1-CD2 4.01Å; I540-F607 HydrophobicContact CD1-CE1 4.46Å; I540-F607 HydrophobicContact CD1-CE2 4.11Å; I540-F607 HydrophobicContact CD1-CG 4.13Å; I540-F607 HydrophobicContact CD1-CZ 4.32Å; D603-F607 WeakPolarHBondContact O-CB 3.34Å; D603-F607 PolarHBondContact O-N 3.18Å; E604-F607 PolarHBondContact O-N 3.22Å; F607-A609 VanDerWaalsContact C-N 3.33Å; F607-A609 PolarHBondContact O-N 3.34Å; F607-F610 HydrophobicContact CD2-CD1 4.11Å; F607-F610 AromaticContact CE2-CD1 3.96Å; F607-F610 HydrophobicContact CE2-CD1 3.96Å; F607-F610 HydrophobicContact CE2-CE1 4.41Å; F607-F610 CarbonylContact O-C 3.5Å; F607-F610 PolarHBondContact O-N 2.75Å; F607-F610 VanDerWaalsContact O-N 3.12Å; F607-A611 HydrophobicContact CD1-CB 4.09Å; F607-A611 HydrophobicContact CE1-CB 3.86Å; F607-A611 VanDerWaalsContact O-CB 3.24Å; F607-A611 WeakPolarHBondContact O-CB 3.28Å; F607-A611 PolarHBondContact O-N 2.83Å
608	E	86.5	Confident	85.5	Confident	104 Å²	104	39.8 Å²	39.8	49%	0.486	20%	0.199	S	C	.	.	H	α-helix	trans	-56.2	-47.8	177.6	-172.8	-176.3	-178.1	0	0	111.3	M525 E604 F610 A611 L612	M525-E608 HydrophobicContact CE-CB 3.99Å; E604-E608 WeakPolarHBondContact O-CB 3.39Å; E604-E608 PolarHBondContact O-N 2.99Å; E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 2.85Å; E608-A611 PolarHBondContact O-N 2.67Å; E608-L612 PolarHBondContact O-N 3.47Å
609	A	83	Confident	85.6	Confident	22 Å²	22	35.3 Å²	35.3	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-40.3	176.3	0	0	0	0	0	112.4	L371 F605 F607 F613	L371-A609 HydrophobicContact CD1-CB 3.91Å; L371-A609 HydrophobicContact CD2-CB 3.76Å; F605-A609 PolarHBondContact O-N 3.33Å; F607-A609 VanDerWaalsContact C-N 3.33Å; F607-A609 PolarHBondContact O-N 3.34Å; A609-F613 VanDerWaalsContact O-CD2 3.24Å; A609-F613 WeakPolarHBondContact O-CD2 3.46Å
610	F	85.3	Confident	85.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-42.2	175.3	177.4	-120.4	0	0	0	112.1	L374 I378 V392 H395 T396 L399 L606 F607 E608 L612 F613 V614	L374-F610 HydrophobicContact CB-CD2 3.81Å; L374-F610 HydrophobicContact CB-CE2 3.78Å; L374-F610 HydrophobicContact CD1-CD2 3.6Å; L374-F610 HydrophobicContact CD1-CE2 3.97Å; L374-F610 HydrophobicContact CD1-CG 4.27Å; L374-F610 HydrophobicContact CD2-CD2 4.37Å; L374-F610 HydrophobicContact CD2-CE2 3.87Å; L374-F610 HydrophobicContact CG-CD2 4.13Å; L374-F610 HydrophobicContact CG-CE2 4.08Å; I378-F610 HydrophobicContact CD1-CD2 4.02Å; I378-F610 HydrophobicContact CD1-CE2 3.43Å; I378-F610 VanDerWaalsContact CD1-CE2 3.43Å; I378-F610 HydrophobicContact CD1-CZ 4.06Å; I378-F610 HydrophobicContact CG1-CE2 4.24Å; V392-F610 HydrophobicContact CG1-CE1 3.92Å; V392-F610 HydrophobicContact CG1-CZ 4.2Å; V392-F610 HydrophobicContact CG2-CZ 4.48Å; H395-F610 HydrophobicContact CB-CE2 4.48Å; H395-F610 HydrophobicContact CB-CZ 3.91Å; T396-F610 WeakPolarHBondContact OG1-CE1 3.27Å; L399-F610 HydrophobicContact CD2-CB 4.27Å; L399-F610 HydrophobicContact CD2-CG 4.35Å; L606-F610 PolarHBondContact O-N 3.12Å; F607-F610 HydrophobicContact CD2-CD1 4.11Å; F607-F610 AromaticContact CE2-CD1 3.96Å; F607-F610 HydrophobicContact CE2-CD1 3.96Å; F607-F610 HydrophobicContact CE2-CE1 4.41Å; F607-F610 CarbonylContact O-C 3.5Å; F607-F610 PolarHBondContact O-N 2.75Å; F607-F610 VanDerWaalsContact O-N 3.12Å; E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 2.85Å; F610-L612 VanDerWaalsContact C-N 3.26Å; F610-L612 PolarHBondContact O-N 2.9Å; F610-F613 WeakPolarHBondContact O-CB 3.23Å; F610-F613 PolarHBondContact O-N 3.44Å; F610-V614 HydrophobicContact CD1-CG2 4.06Å; F610-V614 HydrophobicContact CD2-CG2 4.4Å; F610-V614 HydrophobicContact CE1-CG2 3.78Å; F610-V614 HydrophobicContact CE2-CG2 4.16Å; F610-V614 HydrophobicContact CG-CG2 4.37Å; F610-V614 HydrophobicContact CZ-CG2 3.84Å; F610-V614 WeakPolarHBondContact O-CG2 3.43Å; F610-V614 PolarHBondContact O-N 2.76Å
611	A	89.6	Confident	85.6	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-31.2	-178.2	0	0	0	0	0	112.5	I527 F607 E608 V614 G615	I527-A611 HydrophobicContact CG1-CB 4.34Å; F607-A611 HydrophobicContact CD1-CB 4.09Å; F607-A611 HydrophobicContact CE1-CB 3.86Å; F607-A611 VanDerWaalsContact O-CB 3.24Å; F607-A611 WeakPolarHBondContact O-CB 3.28Å; F607-A611 PolarHBondContact O-N 2.83Å; E608-A611 PolarHBondContact O-N 2.67Å; A611-V614 PolarHBondContact O-N 3.05Å; A611-G615 PolarHBondContact O-N 2.97Å
612	L	85.8	Confident	85.9	Confident	105 Å²	105	29.5 Å²	29.5	55%	0.55	15%	0.154	S	C	.	.	H	α-helix	trans	-60.8	-44.1	171.8	-68.8	174.8	0	0	0	112.1	E608 F610 G615 L616	E608-L612 PolarHBondContact O-N 3.47Å; F610-L612 VanDerWaalsContact C-N 3.26Å; F610-L612 PolarHBondContact O-N 2.9Å; L612-G615 PolarHBondContact O-N 3.47Å; L612-L616 PolarHBondContact O-N 2.78Å
613	F	86.1	Confident	86.2	Confident	58 Å²	58	31.2 Å²	31.2	25%	0.254	16%	0.159	S	C	.	.	H	α-helix	trans	-67.2	-39.7	175.6	-63.9	-66.2	0	0	0	111.5	L371 A375 I378 F379 A609 F610 L616 G617	L371-F613 HydrophobicContact CB-CE2 4.22Å; L371-F613 HydrophobicContact CD2-CE2 4.5Å; A375-F613 HydrophobicContact CB-CD1 3.64Å; A375-F613 HydrophobicContact CB-CD2 4.31Å; A375-F613 HydrophobicContact CB-CE1 3.83Å; A375-F613 HydrophobicContact CB-CE2 4.47Å; A375-F613 HydrophobicContact CB-CG 3.9Å; A375-F613 HydrophobicContact CB-CZ 4.25Å; I378-F613 HydrophobicContact CD1-CB 3.73Å; F379-F613 HydrophobicContact CE2-CD1 4.4Å; A609-F613 VanDerWaalsContact O-CD2 3.24Å; A609-F613 WeakPolarHBondContact O-CD2 3.46Å; F610-F613 WeakPolarHBondContact O-CB 3.23Å; F610-F613 PolarHBondContact O-N 3.44Å; F613-L616 PolarHBondContact O-N 3.31Å; F613-G617 PolarHBondContact O-N 3.38Å
614	V	90.4	Very high	86.1	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-46.1	176.1	177.8	0	0	0	0	111.2	I378 V392 I527 F610 A611 L616 G617 I618	I378-V614 HydrophobicContact CD1-CB 4.5Å; I378-V614 HydrophobicContact CD1-CG2 3.68Å; V392-V614 HydrophobicContact CB-CG1 4.4Å; V392-V614 HydrophobicContact CB-CG2 4.3Å; V392-V614 HydrophobicContact CG1-CB 4.41Å; V392-V614 HydrophobicContact CG1-CG1 3.85Å; V392-V614 HydrophobicContact CG1-CG2 3.64Å; V392-V614 HydrophobicContact CG2-CB 4.3Å; V392-V614 HydrophobicContact CG2-CG1 3.78Å; V392-V614 HydrophobicContact CG2-CG2 3.68Å; I527-V614 HydrophobicContact CD1-CG1 3.95Å; I527-V614 HydrophobicContact CG2-CB 4.13Å; I527-V614 HydrophobicContact CG2-CG1 3.86Å; F610-V614 HydrophobicContact CD1-CG2 4.06Å; F610-V614 HydrophobicContact CD2-CG2 4.4Å; F610-V614 HydrophobicContact CE1-CG2 3.78Å; F610-V614 HydrophobicContact CE2-CG2 4.16Å; F610-V614 HydrophobicContact CG-CG2 4.37Å; F610-V614 HydrophobicContact CZ-CG2 3.84Å; F610-V614 WeakPolarHBondContact O-CG2 3.43Å; F610-V614 PolarHBondContact O-N 2.76Å; A611-V614 PolarHBondContact O-N 3.05Å; V614-L616 VanDerWaalsContact C-N 3.29Å; V614-L616 PolarHBondContact O-N 3.06Å; V614-G617 WeakPolarHBondContact O-CA 3.36Å; V614-G617 PolarHBondContact O-N 3.35Å; V614-G617 VanDerWaalsContact O-N 3.09Å; V614-I618 HydrophobicContact CG1-CD1 3.77Å; V614-I618 HydrophobicContact CG1-CG1 4.17Å; V614-I618 WeakPolarHBondContact O-CG1 3.37Å; V614-I618 PolarHBondContact O-N 3.11Å
615	G	90.3	Very high	85.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-40.4	179	0	0	0	0	0	112.3	K528 L535 A611 L612 S619	K528-G615 WeakPolarHBondContact O-CA 3.35Å; L535-G615 WeakPolarHBondContact CD1-O 3.39Å; A611-G615 PolarHBondContact O-N 2.97Å; L612-G615 PolarHBondContact O-N 3.47Å; G615-S619 WeakPolarHBondContact O-CB 3.38Å; G615-S619 PolarHBondContact O-N 3.28Å
616	L	87.3	Confident	86	Confident	63 Å²	63	39.4 Å²	39.4	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-65.8	-41.6	173.1	-173.9	53.8	0	0	0	112.1	F379 L612 F613 V614 S619 N620	F379-L616 HydrophobicContact CE1-CB 4.43Å; F379-L616 HydrophobicContact CE1-CD2 4.06Å; F379-L616 HydrophobicContact CE1-CG 3.93Å; F379-L616 HydrophobicContact CZ-CB 4.4Å; F379-L616 HydrophobicContact CZ-CD2 3.69Å; F379-L616 HydrophobicContact CZ-CG 4.02Å; L612-L616 PolarHBondContact O-N 2.78Å; F613-L616 PolarHBondContact O-N 3.31Å; V614-L616 VanDerWaalsContact C-N 3.29Å; V614-L616 PolarHBondContact O-N 3.06Å; L616-S619 PolarHBondContact O-N 2.81Å; L616-N620 WeakPolarHBondContact O-CB 3.39Å; L616-N620 VanDerWaalsContact O-CG 3.23Å; L616-N620 PolarHBondContact O-N 3.43Å
617	G	87.7	Confident	86	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-48	174.9	0	0	0	0	0	113.1	L388 F613 V614 N620 S621	L388-G617 WeakPolarHBondContact CD2-O 3.17Å; F613-G617 PolarHBondContact O-N 3.38Å; V614-G617 WeakPolarHBondContact O-CA 3.36Å; V614-G617 PolarHBondContact O-N 3.35Å; V614-G617 VanDerWaalsContact O-N 3.09Å; G617-N620 PolarHBondContact O-N 3.09Å; G617-S621 WeakPolarHBondContact O-CB 3.42Å; G617-S621 PolarHBondContact O-N 2.95Å
618	I	89.1	Confident	85.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-47.1	178.6	-68.7	174.8	0	0	0	110.1	I385 L388 L409 I527 L535 A536 V614 N620 S621 Q622	I385-I618 HydrophobicContact CD1-CG2 4.44Å; L388-I618 HydrophobicContact CD2-CG1 4.22Å; L409-I618 HydrophobicContact CD1-CD1 4.49Å; L409-I618 HydrophobicContact CD1-CG2 3.78Å; I527-I618 HydrophobicContact CG2-CD1 4.22Å; L535-I618 HydrophobicContact CB-CG2 4.39Å; L535-I618 HydrophobicContact CD1-CB 4.42Å; L535-I618 HydrophobicContact CD1-CG2 4.31Å; A536-I618 HydrophobicContact CB-CD1 4.14Å; V614-I618 HydrophobicContact CG1-CD1 3.77Å; V614-I618 HydrophobicContact CG1-CG1 4.17Å; V614-I618 WeakPolarHBondContact O-CG1 3.37Å; V614-I618 PolarHBondContact O-N 3.11Å; I618-N620 PolarHBondContact O-N 3.33Å; I618-S621 PolarHBondContact O-N 3.12Å; I618-Q622 HydrophobicContact CG2-CG 4.37Å; I618-Q622 WeakPolarHBondContact O-CG 3.42Å; I618-Q622 PolarHBondContact O-N 3.3Å
619	S	87	Confident	85.6	Confident	14 Å²	14	48.3 Å²	48.3	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-48.2	177.9	-174.4	0	0	0	0	111.6	H529 G615 L616 S621 Q622 L623	H529-S619 VanDerWaalsContact CD2-CB 3.46Å; H529-S619 WeakPolarHBondContact CD2-CB 3.43Å; H529-S619 PolarHBondContact CD2-OG 2.9Å; H529-S619 VanDerWaalsContact CD2-OG 3.26Å; H529-S619 PolarHBondContact NE2-OG 2.95Å; G615-S619 WeakPolarHBondContact O-CB 3.38Å; G615-S619 PolarHBondContact O-N 3.28Å; L616-S619 PolarHBondContact O-N 2.81Å; S619-S621 PolarHBondContact O-N 3.18Å; S619-Q622 PolarHBondContact O-N 3.24Å; S619-L623 WeakPolarHBondContact O-CB 3.45Å; S619-L623 VanDerWaalsContact O-CG 3.28Å; S619-L623 WeakPolarHBondContact O-CG 3.47Å; S619-L623 PolarHBondContact O-N 3.44Å
620	N	86.1	Confident	85.5	Confident	39 Å²	39	50.7 Å²	50.7	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-42.8	178.3	-73.4	-11.4	0	0	0	112.2	L616 G617 I618 L623 Y624	L616-N620 WeakPolarHBondContact O-CB 3.39Å; L616-N620 VanDerWaalsContact O-CG 3.23Å; L616-N620 PolarHBondContact O-N 3.43Å; G617-N620 PolarHBondContact O-N 3.09Å; I618-N620 PolarHBondContact O-N 3.33Å; N620-L623 PolarHBondContact O-N 3.49Å; N620-Y624 WeakPolarHBondContact O-CB 3.39Å; N620-Y624 PolarHBondContact O-N 3.42Å
621	S	85.1	Confident	85.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-45	178	-169.7	0	0	0	0	111.7	Q382 I385 G617 I618 S619 L623 Y624 E625	Q382-S621 WeakPolarHBondContact O-CA 3.42Å; Q382-S621 WeakPolarHBondContact O-CB 3.34Å; Q382-S621 PolarHBondContact O-OG 3.4Å; I385-S621 WeakPolarHBondContact CA-OG 3.33Å; I385-S621 PolarHBondContact N-OG 3.25Å; G617-S621 WeakPolarHBondContact O-CB 3.42Å; G617-S621 PolarHBondContact O-N 2.95Å; I618-S621 PolarHBondContact O-N 3.12Å; S619-S621 PolarHBondContact O-N 3.18Å; S621-L623 PolarHBondContact O-N 3.04Å; S621-Y624 WeakPolarHBondContact O-CB 3.45Å; S621-Y624 PolarHBondContact O-N 3.37Å; S621-E625 PolarHBondContact O-N 3.11Å
622	Q	84.7	Confident	85	Confident	26 Å²	26	55.6 Å²	55.6	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-39.6	175.5	-71.3	-179.1	-11.8	0	0	112.9	I385 I618 S619 Y624 K626	I385-Q622 HydrophobicContact CD1-CG 3.87Å; I618-Q622 HydrophobicContact CG2-CG 4.37Å; I618-Q622 WeakPolarHBondContact O-CG 3.42Å; I618-Q622 PolarHBondContact O-N 3.3Å; S619-Q622 PolarHBondContact O-N 3.24Å; Q622-Y624 VanDerWaalsContact C-N 3.33Å; Q622-K626 WeakPolarHBondContact O-CB 3.38Å; Q622-K626 VanDerWaalsContact O-CG 3.31Å; Q622-K626 WeakPolarHBondContact O-CG 3.48Å; Q622-K626 PolarHBondContact O-N 3.22Å; Q622-K626 VanDerWaalsContact O-N 3.07Å
623	L	83.3	Confident	84.8	Confident	92 Å²	92	57 Å²	57	48%	0.482	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-41	174.9	-74.1	172.7	0	0	0	111.2	S619 N620 S621 K626 A627	S619-L623 WeakPolarHBondContact O-CB 3.45Å; S619-L623 VanDerWaalsContact O-CG 3.28Å; S619-L623 WeakPolarHBondContact O-CG 3.47Å; S619-L623 PolarHBondContact O-N 3.44Å; N620-L623 PolarHBondContact O-N 3.49Å; S621-L623 PolarHBondContact O-N 3.04Å; L623-K626 PolarHBondContact O-N 3.27Å; L623-A627 WeakPolarHBondContact O-CB 2.75Å; L623-A627 PolarHBondContact O-N 2.89Å
624	Y	84	Confident	84.5	Confident	101 Å²	101	60.4 Å²	60.4	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-46.6	176.9	-180	-109.1	0	0	0	112.3	L383 N620 S621 Q622 K626 A627 I628	L383-Y624 HydrophobicContact CB-CE1 4.37Å; L383-Y624 HydrophobicContact CD2-CD1 4.26Å; L383-Y624 HydrophobicContact CD2-CE1 3.74Å; L383-Y624 HydrophobicContact CD2-CE2 4.2Å; N620-Y624 WeakPolarHBondContact O-CB 3.39Å; N620-Y624 PolarHBondContact O-N 3.42Å; S621-Y624 WeakPolarHBondContact O-CB 3.45Å; S621-Y624 PolarHBondContact O-N 3.37Å; Q622-Y624 VanDerWaalsContact C-N 3.33Å; Y624-K626 PolarHBondContact O-N 3.13Å; Y624-A627 WeakPolarHBondContact O-CB 3.4Å; Y624-A627 PolarHBondContact O-N 3.29Å; Y624-A627 VanDerWaalsContact O-N 3.16Å; Y624-I628 HydrophobicContact CD1-CD1 3.84Å; Y624-I628 HydrophobicContact CE1-CD1 3.26Å; Y624-I628 HydrophobicContact CE1-CG1 4.23Å; Y624-I628 HydrophobicContact CE2-CD1 4.17Å; Y624-I628 HydrophobicContact CE2-CG1 4.34Å; Y624-I628 VanDerWaalsContact CZ-CD1 3.45Å; Y624-I628 PolarHBondContact O-N 3.19Å
625	E	81.5	Confident	84	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-43.7	176	-72.9	-175.2	174.1	0	0	112.5	I385 S621 A627 I628 R629	I385-E625 WeakPolarHBondContact CG2-OE1 3.45Å; S621-E625 PolarHBondContact O-N 3.11Å; E625-A627 VanDerWaalsContact C-N 3.3Å; E625-A627 PolarHBondContact O-N 2.85Å; E625-I628 PolarHBondContact O-N 3.33Å; E625-R629 PolarHBondContact O-N 2.84Å
626	K	83.4	Confident	83.6	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-39.4	175	-73.8	174.6	-173.7	173	0	111.7	Q622 L623 Y624 S630	Q622-K626 WeakPolarHBondContact O-CB 3.38Å; Q622-K626 VanDerWaalsContact O-CG 3.31Å; Q622-K626 WeakPolarHBondContact O-CG 3.48Å; Q622-K626 PolarHBondContact O-N 3.22Å; Q622-K626 VanDerWaalsContact O-N 3.07Å; L623-K626 PolarHBondContact O-N 3.27Å; Y624-K626 PolarHBondContact O-N 3.13Å; K626-S630 WeakPolarHBondContact O-CB 3.45Å; K626-S630 PolarHBondContact O-N 3.08Å; K626-S630 PolarHBondContact O-OG 3.27Å
627	A	81.3	Confident	83.2	Confident	57 Å²	57	72.8 Å²	72.8	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-45.3	176.5	0	0	0	0	0	111.8	L623 Y624 E625 R629 S630 A631	L623-A627 WeakPolarHBondContact O-CB 2.75Å; L623-A627 PolarHBondContact O-N 2.89Å; Y624-A627 WeakPolarHBondContact O-CB 3.4Å; Y624-A627 PolarHBondContact O-N 3.29Å; Y624-A627 VanDerWaalsContact O-N 3.16Å; E625-A627 VanDerWaalsContact C-N 3.3Å; E625-A627 PolarHBondContact O-N 2.85Å; A627-R629 PolarHBondContact O-N 2.91Å; A627-S630 PolarHBondContact O-N 3.27Å; A627-A631 WeakPolarHBondContact O-CB 3.22Å; A627-A631 PolarHBondContact O-N 2.9Å
628	I	84.1	Confident	82.7	Confident	87 Å²	87	76.7 Å²	76.7	45%	0.446	40%	0.395	S	S	.	.	H	α-helix	trans	-57.8	-49.3	174.8	-71.5	175	0	0	0	110.7	Y624 E625 S630 A631 A632	Y624-I628 HydrophobicContact CD1-CD1 3.84Å; Y624-I628 HydrophobicContact CE1-CD1 3.26Å; Y624-I628 HydrophobicContact CE1-CG1 4.23Å; Y624-I628 HydrophobicContact CE2-CD1 4.17Å; Y624-I628 HydrophobicContact CE2-CG1 4.34Å; Y624-I628 VanDerWaalsContact CZ-CD1 3.45Å; Y624-I628 PolarHBondContact O-N 3.19Å; E625-I628 PolarHBondContact O-N 3.33Å; I628-S630 VanDerWaalsContact C-N 3.29Å; I628-S630 PolarHBondContact O-N 3.14Å; I628-A631 PolarHBondContact O-N 3.34Å; I628-A632 PolarHBondContact O-N 3.43Å
629	R	82.8	Confident	82.3	Confident	167 Å²	167	81 Å²	81	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-61.6	-39.9	179.9	-172.1	179.6	-68.7	158	0.7	111.4	E625 A627 A632 K633	E625-R629 PolarHBondContact O-N 2.84Å; A627-R629 PolarHBondContact O-N 2.91Å; R629-A632 PolarHBondContact O-N 2.91Å; R629-K633 WeakPolarHBondContact O-CG 3.43Å; R629-K633 PolarHBondContact O-N 2.95Å
630	S	80.2	Confident	82.2	Confident	72 Å²	72	84.1 Å²	84.1	50%	0.503	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176.9	-58.4	0	0	0	0	112	K626 A627 I628 K633 Q634	K626-S630 WeakPolarHBondContact O-CB 3.45Å; K626-S630 PolarHBondContact O-N 3.08Å; K626-S630 PolarHBondContact O-OG 3.27Å; A627-S630 PolarHBondContact O-N 3.27Å; I628-S630 VanDerWaalsContact C-N 3.29Å; I628-S630 PolarHBondContact O-N 3.14Å; S630-K633 PolarHBondContact O-N 3.29Å; S630-Q634 WeakPolarHBondContact O-CB 3.36Å; S630-Q634 PolarHBondContact O-N 3.18Å
631	A	81.2	Confident	82	Confident	54 Å²	54	86.8 Å²	86.8	45%	0.446	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-40.4	174.2	0	0	0	0	0	111.9	A627 I628 Q634 K635	A627-A631 WeakPolarHBondContact O-CB 3.22Å; A627-A631 PolarHBondContact O-N 2.9Å; I628-A631 PolarHBondContact O-N 3.34Å; A631-Q634 PolarHBondContact O-N 2.75Å; A631-K635 WeakPolarHBondContact O-CB 3.49Å; A631-K635 PolarHBondContact O-N 2.96Å
632	A	82.6	Confident	81.8	Confident	54 Å²	54	87.9 Å²	87.9	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-63.1	-45.1	174.3	0	0	0	0	0	111.9	I628 R629 Q634 K635 V636	I628-A632 PolarHBondContact O-N 3.43Å; R629-A632 PolarHBondContact O-N 2.91Å; A632-Q634 PolarHBondContact O-N 3.33Å; A632-K635 WeakPolarHBondContact O-CB 3.38Å; A632-K635 PolarHBondContact O-N 2.95Å; A632-V636 WeakPolarHBondContact O-CG2 3.31Å; A632-V636 PolarHBondContact O-N 3.38Å
633	K	83.1	Confident	81.8	Confident	134 Å²	134	95.2 Å²	95.2	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-59.4	-45.9	173.4	-73.9	-177.9	177.1	-168.3	0	111.6	R629 S630 K635 V636 I637	R629-K633 WeakPolarHBondContact O-CG 3.43Å; R629-K633 PolarHBondContact O-N 2.95Å; S630-K633 PolarHBondContact O-N 3.29Å; K633-K635 VanDerWaalsContact C-N 3.29Å; K633-K635 PolarHBondContact O-N 3.39Å; K633-V636 PolarHBondContact O-N 2.97Å; K633-I637 VanDerWaalsContact O-CG1 3.3Å; K633-I637 WeakPolarHBondContact O-CG1 3.46Å; K633-I637 PolarHBondContact O-N 3.25Å
634	Q	78.3	Confident	82	Confident	130 Å²	130	96.6 Å²	96.6	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-60	-39.4	176.9	-175.5	179.5	-0.3	0	0	111.8	S630 A631 A632 I637 M638	S630-Q634 WeakPolarHBondContact O-CB 3.36Å; S630-Q634 PolarHBondContact O-N 3.18Å; A631-Q634 PolarHBondContact O-N 2.75Å; A632-Q634 PolarHBondContact O-N 3.33Å; Q634-I637 PolarHBondContact O-N 2.71Å; Q634-M638 WeakPolarHBondContact O-CB 3.34Å; Q634-M638 PolarHBondContact O-N 3.04Å
635	K	79.7	Confident	82.2	Confident	129 Å²	129	92.2 Å²	92.2	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-62.7	-47.3	175.6	-173.1	176.3	-178.9	179	0	111.8	A631 A632 K633 I637 M638 D639	A631-K635 WeakPolarHBondContact O-CB 3.49Å; A631-K635 PolarHBondContact O-N 2.96Å; A632-K635 WeakPolarHBondContact O-CB 3.38Å; A632-K635 PolarHBondContact O-N 2.95Å; K633-K635 VanDerWaalsContact C-N 3.29Å; K633-K635 PolarHBondContact O-N 3.39Å; K635-I637 VanDerWaalsContact C-N 3.34Å; K635-I637 PolarHBondContact O-N 3.31Å; K635-M638 WeakPolarHBondContact O-CB 3.34Å; K635-M638 PolarHBondContact O-N 3.13Å; K635-D639 PolarHBondContact O-N 2.89Å
636	V	83	Confident	82.7	Confident	92 Å²	92	88.9 Å²	88.9	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-60.8	-44.4	176.5	174.6	0	0	0	0	111.2	A632 K633 M638 D639 V640	A632-V636 WeakPolarHBondContact O-CG2 3.31Å; A632-V636 PolarHBondContact O-N 3.38Å; K633-V636 PolarHBondContact O-N 2.97Å; V636-M638 VanDerWaalsContact C-N 3.33Å; V636-M638 PolarHBondContact O-N 3.24Å; V636-D639 PolarHBondContact O-N 3.47Å; V636-V640 WeakPolarHBondContact O-CG2 3.08Å; V636-V640 PolarHBondContact O-N 3.2Å
637	I	79.4	Confident	83.2	Confident	102 Å²	102	84.3 Å²	84.3	52%	0.523	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.4	-68.6	164.9	0	0	0	110.4	K633 Q634 K635 D639 V640 L641	K633-I637 VanDerWaalsContact O-CG1 3.3Å; K633-I637 WeakPolarHBondContact O-CG1 3.46Å; K633-I637 PolarHBondContact O-N 3.25Å; Q634-I637 PolarHBondContact O-N 2.71Å; K635-I637 VanDerWaalsContact C-N 3.34Å; K635-I637 PolarHBondContact O-N 3.31Å; I637-D639 VanDerWaalsContact C-N 3.34Å; I637-D639 PolarHBondContact O-N 3.41Å; I637-V640 PolarHBondContact O-N 3.09Å; I637-L641 HydrophobicContact CG2-CD1 3.84Å; I637-L641 HydrophobicContact CG2-CG 4.23Å; I637-L641 WeakPolarHBondContact O-CB 3.46Å; I637-L641 VanDerWaalsContact O-CG 3.27Å; I637-L641 WeakPolarHBondContact O-CG 3.22Å; I637-L641 PolarHBondContact O-N 2.97Å
638	M	77.4	Confident	83.8	Confident	83 Å²	83	84.3 Å²	84.3	41%	0.409	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-41.3	177.4	-172.1	62	72	0	0	111.7	Q634 K635 V636 V640 L641 S642 M802	Q634-M638 WeakPolarHBondContact O-CB 3.34Å; Q634-M638 PolarHBondContact O-N 3.04Å; K635-M638 WeakPolarHBondContact O-CB 3.34Å; K635-M638 PolarHBondContact O-N 3.13Å; V636-M638 VanDerWaalsContact C-N 3.33Å; V636-M638 PolarHBondContact O-N 3.24Å; M638-V640 PolarHBondContact O-N 3.23Å; M638-L641 PolarHBondContact O-N 3.01Å; M638-S642 VanDerWaalsContact O-CB 3.25Å; M638-S642 WeakPolarHBondContact O-CB 3.33Å; M638-S642 PolarHBondContact O-N 3.29Å; M638-M802 HydrophobicContact SD-CG 4.04Å; M638-M802 HydrophobicContact SD-SD 3.88Å
639	D	80.4	Confident	84.3	Confident	90 Å²	90	83 Å²	83	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.5	-71.1	-19	0	0	0	111.2	K635 V636 I637 S642 Y643	K635-D639 PolarHBondContact O-N 2.89Å; V636-D639 PolarHBondContact O-N 3.47Å; I637-D639 VanDerWaalsContact C-N 3.34Å; I637-D639 PolarHBondContact O-N 3.41Å; D639-S642 PolarHBondContact O-N 2.96Å; D639-S642 PolarHBondContact O-OG 3.24Å; D639-Y643 PolarHBondContact O-N 3.49Å
640	V	83.6	Confident	84.9	Confident	79 Å²	79	79.1 Å²	79.1	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-63.3	-46.8	176.1	173.8	0	0	0	0	111.4	V636 I637 M638 S642 Y643 H644	V636-V640 WeakPolarHBondContact O-CG2 3.08Å; V636-V640 PolarHBondContact O-N 3.2Å; I637-V640 PolarHBondContact O-N 3.09Å; M638-V640 PolarHBondContact O-N 3.23Å; V640-S642 VanDerWaalsContact C-N 3.3Å; V640-S642 PolarHBondContact O-N 2.87Å; V640-Y643 WeakPolarHBondContact O-CB 3.22Å; V640-Y643 PolarHBondContact O-N 3.47Å; V640-H644 PolarHBondContact O-CD2 3.38Å; V640-H644 VanDerWaalsContact O-CD2 3.24Å; V640-H644 PolarHBondContact O-N 3.41Å
641	L	82.5	Confident	85.7	Confident	95 Å²	95	79.1 Å²	79.1	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.9	-71.3	175	0	0	0	111.2	I637 M638 Y643 H644 A645	I637-L641 HydrophobicContact CG2-CD1 3.84Å; I637-L641 HydrophobicContact CG2-CG 4.23Å; I637-L641 WeakPolarHBondContact O-CB 3.46Å; I637-L641 VanDerWaalsContact O-CG 3.27Å; I637-L641 WeakPolarHBondContact O-CG 3.22Å; I637-L641 PolarHBondContact O-N 2.97Å; M638-L641 PolarHBondContact O-N 3.01Å; L641-Y643 VanDerWaalsContact C-N 3.32Å; L641-Y643 PolarHBondContact O-N 2.99Å; L641-H644 PolarHBondContact O-N 3.15Å; L641-A645 VanDerWaalsContact O-CB 3.26Å; L641-A645 WeakPolarHBondContact O-CB 3.42Å; L641-A645 PolarHBondContact O-N 3.43Å
642	S	81.9	Confident	86.4	Confident	24 Å²	24	76.6 Å²	76.6	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-62.7	-38.2	178.3	82.9	0	0	0	0	112.3	M638 D639 V640 A645 T646	M638-S642 VanDerWaalsContact O-CB 3.25Å; M638-S642 WeakPolarHBondContact O-CB 3.33Å; M638-S642 PolarHBondContact O-N 3.29Å; D639-S642 PolarHBondContact O-N 2.96Å; D639-S642 PolarHBondContact O-OG 3.24Å; V640-S642 VanDerWaalsContact C-N 3.3Å; V640-S642 PolarHBondContact O-N 2.87Å; S642-A645 PolarHBondContact O-N 3.29Å; S642-T646 WeakPolarHBondContact O-CB 3.38Å; S642-T646 PolarHBondContact O-N 2.51Å; S642-T646 VanDerWaalsContact O-N 3.12Å; S642-T646 PolarHBondContact O-OG1 2.82Å
643	Y	84.3	Confident	87.1	Confident	180 Å²	180	79.7 Å²	79.7	71%	0.706	40%	0.403	S	S	*	.	H	α-helix	trans	-61.4	-46.1	175.4	178.6	-96.2	0	0	0	111	D639 V640 L641 T646	D639-Y643 PolarHBondContact O-N 3.49Å; V640-Y643 WeakPolarHBondContact O-CB 3.22Å; V640-Y643 PolarHBondContact O-N 3.47Å; L641-Y643 VanDerWaalsContact C-N 3.32Å; L641-Y643 PolarHBondContact O-N 2.99Å; Y643-T646 PolarHBondContact O-N 3.34Å
644	H	87.9	Confident	87.8	Confident	121 Å²	121	80.6 Å²	80.6	56%	0.56	40%	0.403	S	S	*	.	H	α-helix	trans	-74.7	-28.5	178.4	-71.2	-69.9	0	0	0	113.6	V640 L641 T646 K716	V640-H644 PolarHBondContact O-CD2 3.38Å; V640-H644 VanDerWaalsContact O-CD2 3.24Å; V640-H644 PolarHBondContact O-N 3.41Å; L641-H644 PolarHBondContact O-N 3.15Å; H644-T646 VanDerWaalsContact C-N 3.28Å; H644-T646 PolarHBondContact O-N 3.13Å; H644-K716 WeakPolarHBondContact O-CE 3.46Å; H644-K716 PolarHBondContact O-NZ 2.96Å
645	A	88.3	Confident	88.6	Confident	8 Å²	8	75 Å²	75	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-23.8	174.8	0	0	0	0	0	112.4	L641 S642 N717 M802	L641-A645 VanDerWaalsContact O-CB 3.26Å; L641-A645 WeakPolarHBondContact O-CB 3.42Å; L641-A645 PolarHBondContact O-N 3.43Å; S642-A645 PolarHBondContact O-N 3.29Å; A645-N717 WeakPolarHBondContact CB-OD1 3.34Å; A645-N717 PolarHBondContact O-ND2 3.5Å; A645-M802 HydrophobicContact CB-CE 4.06Å
646	T	91.5	Very high	89.3	Confident	11 Å²	11	69.6 Å²	69.6	7%	0.067	36%	0.357	C	S	.	.	S	Bend	trans	-87.3	143	-171.3	-59.1	0	0	0	0	113.1	S642 Y643 H644 K716 I806	S642-T646 WeakPolarHBondContact O-CB 3.38Å; S642-T646 PolarHBondContact O-N 2.51Å; S642-T646 VanDerWaalsContact O-N 3.12Å; S642-T646 PolarHBondContact O-OG1 2.82Å; Y643-T646 PolarHBondContact O-N 3.34Å; H644-T646 VanDerWaalsContact C-N 3.28Å; H644-T646 PolarHBondContact O-N 3.13Å; T646-K716 PolarHBondContact O-NZ 2.88Å; T646-I806 HydrophobicContact CG2-CG2 4.23Å; T646-I806 WeakPolarHBondContact OG1-CD1 3.45Å; T646-I806 WeakPolarHBondContact OG1-CG2 3.48Å
647	A	94	Very high	89.9	Confident	2 Å²	2	70.9 Å²	70.9	2%	0.017	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-74.5	143.4	171	0	0	0	0	0	112.1	R709 L712 S713	A647-R709 PolarHBondContact O-NE 3.05Å; A647-L712 HydrophobicContact CB-CB 3.34Å; A647-L712 HydrophobicContact CB-CD1 4.31Å; A647-L712 HydrophobicContact CB-CG 4.44Å; A647-S713 PolarHBondContact N-OG 2.99Å
648	P	94.1	Very high	90.6	Very high	57 Å²	57	67.3 Å²	67.3	37%	0.37	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.8	141.1	176.3	-23.5	33.6	0	0	0	112.9	S650 E651 A652	P648-S650 PolarHBondContact O-N 2.78Å; P648-S650 VanDerWaalsContact O-N 3.17Å; P648-E651 HydrophobicContact CB-CG 4.38Å; P648-E651 HydrophobicContact CG-CG 4.43Å; P648-E651 PolarHBondContact O-N 3.31Å; P648-E651 VanDerWaalsContact O-N 3.16Å; P648-A652 PolarHBondContact O-N 3.37Å; P648-A652 VanDerWaalsContact O-N 3.14Å
649	T	93.9	Very high	91.4	Very high	60 Å²	60	70.9 Å²	70.9	37%	0.368	37%	0.369	S	S	.	.	H	α-helix	trans	-57.3	-32.4	177.1	-44.8	0	0	0	0	112.6	K653 R709	T649-K653 HydrophobicContact CG2-CD 4.49Å; T649-K653 WeakPolarHBondContact O-CG 3.48Å; T649-K653 PolarHBondContact O-N 2.92Å; T649-R709 PolarHBondContact OG1-NH1 2.94Å; T649-R709 PolarHBondContact OG1-NH2 3.24Å
650	S	96.4	Very high	92.1	Very high	84 Å²	84	67.3 Å²	67.3	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-43.7	178.2	47.3	0	0	0	0	112.3	P648 K653 R654	P648-S650 PolarHBondContact O-N 2.78Å; P648-S650 VanDerWaalsContact O-N 3.17Å; S650-K653 PolarHBondContact O-N 3.15Å; S650-R654 PolarHBondContact O-N 2.84Å
651	E	96	Very high	92.6	Very high	72 Å²	72	65 Å²	65	34%	0.336	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-41.1	176.3	-68.9	-176.2	-162.6	0	0	111.5	P648 K653 R654 L655 L712	P648-E651 HydrophobicContact CB-CG 4.38Å; P648-E651 HydrophobicContact CG-CG 4.43Å; P648-E651 PolarHBondContact O-N 3.31Å; P648-E651 VanDerWaalsContact O-N 3.16Å; E651-K653 PolarHBondContact O-N 3.21Å; E651-R654 PolarHBondContact O-N 3.21Å; E651-L655 WeakPolarHBondContact O-CB 3.49Å; E651-L655 PolarHBondContact O-N 2.96Å; E651-L712 HydrophobicContact CB-CD1 4Å
652	A	96.6	Very high	93.2	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-44.4	175	0	0	0	0	0	112	P648 L655 A656 L705 R709 L712	P648-A652 PolarHBondContact O-N 3.37Å; P648-A652 VanDerWaalsContact O-N 3.14Å; A652-L655 PolarHBondContact O-N 3.18Å; A652-A656 WeakPolarHBondContact O-CB 3.45Å; A652-A656 PolarHBondContact O-N 3.4Å; A652-L705 HydrophobicContact CB-CD1 4.14Å; A652-R709 HydrophobicContact CB-CB 3.58Å; A652-R709 HydrophobicContact CB-CG 3.79Å; A652-L712 HydrophobicContact CB-CD1 4.18Å
653	K	96.7	Very high	93.8	Very high	119 Å²	119	64.7 Å²	64.7	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.2	-75.7	177.7	178.6	-177.7	0	111.8	T649 S650 E651 A656 T657 L705	T649-K653 HydrophobicContact CG2-CD 4.49Å; T649-K653 WeakPolarHBondContact O-CG 3.48Å; T649-K653 PolarHBondContact O-N 2.92Å; S650-K653 PolarHBondContact O-N 3.15Å; E651-K653 PolarHBondContact O-N 3.21Å; K653-A656 PolarHBondContact O-N 3.05Å; K653-T657 WeakPolarHBondContact O-CB 3.46Å; K653-T657 WeakPolarHBondContact O-CG2 3.14Å; K653-T657 PolarHBondContact O-N 3.14Å; K653-T657 PolarHBondContact O-OG1 2.96Å; K653-L705 HydrophobicContact CB-CD1 4.39Å; K653-L705 HydrophobicContact CG-CD1 3.69Å; K653-L705 HydrophobicContact CG-CD2 4.45Å
654	R	97.2	Very high	94.1	Very high	154 Å²	154	65.9 Å²	65.9	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-46.1	177.3	-175.6	-179.1	66.9	-167.6	-1.8	111.1	S650 E651 T657 S658	S650-R654 PolarHBondContact O-N 2.84Å; E651-R654 PolarHBondContact O-N 3.21Å; R654-T657 PolarHBondContact O-OG1 3.26Å; R654-S658 WeakPolarHBondContact O-CB 3.36Å; R654-S658 PolarHBondContact O-N 3.18Å
655	L	96.7	Very high	94.3	Very high	11 Å²	11	64.7 Å²	64.7	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-46.4	178.6	-178.9	61.9	0	0	0	111.6	E651 A652 T657 S658 L684 K685 I688 A708 L712	E651-L655 WeakPolarHBondContact O-CB 3.49Å; E651-L655 PolarHBondContact O-N 2.96Å; A652-L655 PolarHBondContact O-N 3.18Å; L655-T657 VanDerWaalsContact C-N 3.26Å; L655-T657 PolarHBondContact O-N 3.27Å; L655-S658 WeakPolarHBondContact O-CB 3.21Å; L655-S658 PolarHBondContact O-N 3Å; L655-S658 PolarHBondContact O-OG 3.4Å; L655-L684 HydrophobicContact CD1-CB 4.2Å; L655-L684 HydrophobicContact CD2-CB 4.15Å; L655-K685 HydrophobicContact CD1-CG 4.04Å; L655-I688 HydrophobicContact CD1-CD1 3.84Å; L655-I688 HydrophobicContact CD2-CD1 3.92Å; L655-I688 HydrophobicContact CG-CD1 3.58Å; L655-A708 HydrophobicContact CB-CB 4.36Å; L655-A708 HydrophobicContact CD2-CB 4.19Å; L655-A708 HydrophobicContact CG-CB 4.29Å; L655-L712 HydrophobicContact CB-CD1 4.27Å; L655-L712 HydrophobicContact CD2-CD1 4.01Å; L655-L712 HydrophobicContact CD2-CD2 4.07Å; L655-L712 HydrophobicContact CD2-CG 3.74Å
656	A	94.1	Very high	94.6	Very high	17 Å²	17	64.3 Å²	64.3	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-31.9	179.8	0	0	0	0	0	113.3	A652 K653 Q704 L705 A708	A652-A656 WeakPolarHBondContact O-CB 3.45Å; A652-A656 PolarHBondContact O-N 3.4Å; K653-A656 PolarHBondContact O-N 3.05Å; A656-Q704 HydrophobicContact CB-CG 4.38Å; A656-Q704 PolarHBondContact O-NE2 3.07Å; A656-L705 HydrophobicContact CB-CD1 4.26Å; A656-A708 HydrophobicContact CB-CB 3.88Å
657	T	94.5	Very high	94.7	Very high	118 Å²	118	66.1 Å²	66.1	72%	0.724	34%	0.337	S	S	*	.	H	α-helix	trans	-96.9	-2.7	179.2	57.5	0	0	0	0	113.9	K653 R654 L655	K653-T657 WeakPolarHBondContact O-CB 3.46Å; K653-T657 WeakPolarHBondContact O-CG2 3.14Å; K653-T657 PolarHBondContact O-N 3.14Å; K653-T657 PolarHBondContact O-OG1 2.96Å; R654-T657 PolarHBondContact O-OG1 3.26Å; L655-T657 VanDerWaalsContact C-N 3.26Å; L655-T657 PolarHBondContact O-N 3.27Å
658	S	94.7	Very high	94.8	Very high	27 Å²	27	66 Å²	66	19%	0.189	34%	0.336	C	S	.	.	S	Bend	trans	-69.3	152.8	-179.7	70.5	0	0	0	0	112	R654 L655 I660	R654-S658 WeakPolarHBondContact O-CB 3.36Å; R654-S658 PolarHBondContact O-N 3.18Å; L655-S658 WeakPolarHBondContact O-CB 3.21Å; L655-S658 PolarHBondContact O-N 3Å; L655-S658 PolarHBondContact O-OG 3.4Å; S658-I660 PolarHBondContact O-N 3.36Å; S658-I660 WeakPolarHBondContact OG-CD1 3.32Å
659	L	95	Very high	94.8	Very high	158 Å²	158	64.4 Å²	64.4	83%	0.827	33%	0.325	S	S	*	.			trans	-67.5	116.8	170.4	-177.3	66.5	0	0	0	109	P661	L659-P661 WeakPolarHBondContact O-CD 3.31Å
660	I	94.6	Very high	94.8	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.077	32%	0.318	C	S	.	.			trans	-94.2	111.2	179.3	-52.6	-57.2	0	0	0	109.2	S658 K685 I688 R689	S658-I660 PolarHBondContact O-N 3.36Å; S658-I660 WeakPolarHBondContact OG-CD1 3.32Å; I660-K685 HydrophobicContact CD1-CB 4.15Å; I660-K685 HydrophobicContact CD1-CG 3.86Å; I660-K685 WeakPolarHBondContact CG2-O 3.5Å; I660-I688 HydrophobicContact CD1-CB 4.3Å; I660-I688 HydrophobicContact CD1-CD1 4.2Å; I660-I688 HydrophobicContact CD1-CG2 4.07Å; I660-I688 HydrophobicContact CG1-CG2 3.95Å; I660-I688 HydrophobicContact CG2-CG2 4.31Å; I660-R689 HydrophobicContact CG2-CB 3.85Å; I660-R689 PolarHBondContact O-NH2 3.43Å
661	P	94.5	Very high	94.8	Very high	32 Å²	32	61 Å²	61	21%	0.208	29%	0.294	C	S	.	.			trans	-60.2	159	178.6	-24.1	35.8	0	0	0	112.9	L659 F665 Y666 R689	L659-P661 WeakPolarHBondContact O-CD 3.31Å; P661-F665 HydrophobicContact CB-CB 4.1Å; P661-F665 HydrophobicContact CB-CD1 3.36Å; P661-F665 HydrophobicContact CB-CE1 3.92Å; P661-F665 HydrophobicContact CB-CG 3.89Å; P661-F665 HydrophobicContact CG-CD1 4.07Å; P661-F665 HydrophobicContact CG-CE1 4.13Å; P661-Y666 HydrophobicContact CB-CD2 4.21Å; P661-Y666 HydrophobicContact CB-CE2 3.6Å; P661-Y666 WeakPolarHBondContact CD-OH 3.18Å; P661-Y666 HydrophobicContact CG-CE2 3.84Å; P661-Y666 WeakPolarHBondContact CG-OH 3.43Å; P661-R689 PolarHBondContact O-NE 2.83Å; P661-R689 PolarHBondContact O-NH2 3.24Å
662	T	94.4	Very high	94.7	Very high	84 Å²	84	59.1 Å²	59.1	52%	0.515	29%	0.289	S	S	.	.			trans	-72.3	159.7	-176	62.1	0	0	0	0	112	R664 F665 Y666	T662-R664 PolarHBondContact O-N 3.28Å; T662-F665 WeakPolarHBondContact O-CB 3.46Å; T662-F665 PolarHBondContact O-N 2.99Å; T662-F665 PolarHBondContact OG1-N 3.19Å; T662-Y666 PolarHBondContact O-N 2.84Å
663	M	93.5	Very high	94.6	Very high	28 Å²	28	59.1 Å²	59.1	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-53.2	-41.7	173.9	-179.6	-177.3	60.9	0	0	112.2	F665 Y666 H667 L668 D669 R689 E693 F737 L741	M663-F665 VanDerWaalsContact C-N 3.32Å; M663-F665 PolarHBondContact O-N 3.05Å; M663-Y666 PolarHBondContact O-N 3.02Å; M663-H667 PolarHBondContact O-N 2.88Å; M663-L668 HydrophobicContact CG-CB 4.09Å; M663-L668 PolarHBondContact O-N 3.41Å; M663-D669 HydrophobicContact CE-CB 4.31Å; M663-D669 HydrophobicContact CG-CB 4.28Å; M663-D669 HydrophobicContact SD-CB 3.82Å; M663-R689 HydrophobicContact CB-CG 4.28Å; M663-E693 HydrophobicContact SD-CG 4.01Å; M663-F737 HydrophobicContact CG-CE1 4.36Å; M663-F737 HydrophobicContact SD-CE1 3.96Å; M663-F737 HydrophobicContact SD-CZ 3.82Å; M663-L741 HydrophobicContact CE-CD2 4.42Å; M663-L741 HydrophobicContact SD-CD2 3.68Å
664	R	92.1	Very high	94.4	Very high	204 Å²	204	53.6 Å²	53.6	77%	0.77	27%	0.265	S	S	*	.	H	α-helix	trans	-66	-30.3	177.8	-67.1	-175.4	-178.1	168.1	0.7	113.6	T662 Y666 H667	T662-R664 PolarHBondContact O-N 3.28Å; R664-Y666 VanDerWaalsContact C-N 3.34Å; R664-H667 PolarHBondContact O-CE1 3Å; R664-H667 PolarHBondContact O-ND1 3.06Å; R664-H667 VanDerWaalsContact O-ND1 3.1Å
665	F	92.2	Very high	94.3	Very high	96 Å²	96	46.4 Å²	46.4	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-41.6	177.1	176.6	-99.1	0	0	0	111.2	P661 T662 M663 H667 L1032	P661-F665 HydrophobicContact CB-CB 4.1Å; P661-F665 HydrophobicContact CB-CD1 3.36Å; P661-F665 HydrophobicContact CB-CE1 3.92Å; P661-F665 HydrophobicContact CB-CG 3.89Å; P661-F665 HydrophobicContact CG-CD1 4.07Å; P661-F665 HydrophobicContact CG-CE1 4.13Å; T662-F665 WeakPolarHBondContact O-CB 3.46Å; T662-F665 PolarHBondContact O-N 2.99Å; T662-F665 PolarHBondContact OG1-N 3.19Å; M663-F665 VanDerWaalsContact C-N 3.32Å; M663-F665 PolarHBondContact O-N 3.05Å; F665-H667 PolarHBondContact O-ND1 3.4Å; F665-L1032 HydrophobicContact CE1-CB 4.44Å; F665-L1032 HydrophobicContact CE1-CD1 3.5Å; F665-L1032 VanDerWaalsContact CE1-CD1 3.5Å; F665-L1032 HydrophobicContact CZ-CD1 3.7Å; F665-L1032 VanDerWaalsContact O-O 3.12Å
666	Y	93.4	Very high	93.9	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-90.8	-9.2	180	-68.7	-57.4	0	0	0	114.8	P661 T662 M663 R664 L668 F673 L678 D682 A686 L1032 G1033	P661-Y666 HydrophobicContact CB-CD2 4.21Å; P661-Y666 HydrophobicContact CB-CE2 3.6Å; P661-Y666 WeakPolarHBondContact CD-OH 3.18Å; P661-Y666 HydrophobicContact CG-CE2 3.84Å; P661-Y666 WeakPolarHBondContact CG-OH 3.43Å; T662-Y666 PolarHBondContact O-N 2.84Å; M663-Y666 PolarHBondContact O-N 3.02Å; R664-Y666 VanDerWaalsContact C-N 3.34Å; Y666-L668 VanDerWaalsContact C-N 3.25Å; Y666-L668 HydrophobicContact CD2-CD1 4.1Å; Y666-L668 HydrophobicContact CG-CD1 4.43Å; Y666-L668 PolarHBondContact O-N 3.39Å; Y666-F673 VanDerWaalsContact O-CD2 3.26Å; Y666-F673 WeakPolarHBondContact O-CD2 3.48Å; Y666-F673 WeakPolarHBondContact O-CE2 3.43Å; Y666-L678 HydrophobicContact CD1-CD2 4.49Å; Y666-D682 HydrophobicContact CE1-CB 4.15Å; Y666-A686 HydrophobicContact CD2-CB 4.22Å; Y666-A686 HydrophobicContact CE2-CB 4.25Å; Y666-L1032 CarbonylContact C-O 3.26Å; Y666-L1032 VanDerWaalsContact C-O 3.26Å; Y666-L1032 WeakPolarHBondContact CA-O 3.38Å; Y666-L1032 HydrophobicContact CD1-CB 4.08Å; Y666-L1032 HydrophobicContact CE1-CD1 4.32Å; Y666-G1033 WeakPolarHBondContact O-CA 3.27Å
667	H	93.7	Very high	93.6	Very high	48 Å²	48	49.5 Å²	49.5	22%	0.222	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	33.6	-176.7	-58	49.6	0	0	0	112.8	M663 R664 F665 D669 K670 S1031 L1032	M663-H667 PolarHBondContact O-N 2.88Å; R664-H667 PolarHBondContact O-CE1 3Å; R664-H667 PolarHBondContact O-ND1 3.06Å; R664-H667 VanDerWaalsContact O-ND1 3.1Å; F665-H667 PolarHBondContact O-ND1 3.4Å; H667-D669 PolarHBondContact O-N 3.19Å; H667-K670 HydrophobicContact CB-CG 4.32Å; H667-K670 PolarHBondContact O-N 2.75Å; H667-S1031 WeakPolarHBondContact CE1-CB 3.22Å; H667-S1031 PolarHBondContact CE1-OG 2.96Å; H667-S1031 PolarHBondContact ND1-OG 2.63Å; H667-S1031 PolarHBondContact NE2-OG 2.86Å; H667-L1032 PolarHBondContact ND1-O 3.27Å
668	L	95.7	Very high	93.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.6	-175.5	-65.3	165.5	0	0	0	113.2	M663 Y666 K670 F673 A686 R689 M690 F730 Q734 F737	M663-L668 HydrophobicContact CG-CB 4.09Å; M663-L668 PolarHBondContact O-N 3.41Å; Y666-L668 VanDerWaalsContact C-N 3.25Å; Y666-L668 HydrophobicContact CD2-CD1 4.1Å; Y666-L668 HydrophobicContact CG-CD1 4.43Å; Y666-L668 PolarHBondContact O-N 3.39Å; L668-K670 VanDerWaalsContact C-N 3.27Å; L668-K670 PolarHBondContact O-N 3.17Å; L668-F673 HydrophobicContact CD2-CD2 4.29Å; L668-F673 HydrophobicContact CD2-CE2 3.79Å; L668-F673 HydrophobicContact CD2-CZ 4.02Å; L668-A686 HydrophobicContact CD1-CB 4.07Å; L668-A686 HydrophobicContact CD2-CB 4.08Å; L668-R689 HydrophobicContact CD1-CB 4.22Å; L668-R689 HydrophobicContact CD1-CG 3.94Å; L668-M690 HydrophobicContact CD1-CG 4.03Å; L668-M690 HydrophobicContact CD2-SD 4.46Å; L668-F730 HydrophobicContact CD2-CZ 4.42Å; L668-Q734 HydrophobicContact CD2-CG 3.92Å; L668-Q734 PolarHBondContact O-NE2 2.97Å; L668-F737 HydrophobicContact CB-CD1 4.32Å; L668-F737 HydrophobicContact CB-CE1 4.05Å
669	D	94.3	Very high	93.6	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.9	176.8	72.4	-60.6	0	0	0	113.6	M663 H667 C738 L741 K742	M663-D669 HydrophobicContact CE-CB 4.31Å; M663-D669 HydrophobicContact CG-CB 4.28Å; M663-D669 HydrophobicContact SD-CB 3.82Å; H667-D669 PolarHBondContact O-N 3.19Å; D669-C738 PolarHBondContact O-SG 3.18Å; D669-C738 VanDerWaalsContact O-SG 3.37Å; D669-L741 HydrophobicContact CB-CD2 3.74Å; D669-K742 WeakPolarHBondContact O-CE 3.44Å; D669-K742 IonicContact OD2-NZ 3.15Å; D669-K742 PolarHBondContact OD2-NZ 2.96Å; D669-K742 VanDerWaalsContact OD2-NZ 3.08Å
670	K	94.6	Very high	93.5	Very high	54 Å²	54	40.8 Å²	40.8	24%	0.235	20%	0.199	C	C	.	.			trans	-108.5	132.7	-179.3	-59.5	-66.9	178.6	171.8	0	110.7	H667 L668 S672 F673 Q734 E993	H667-K670 HydrophobicContact CB-CG 4.32Å; H667-K670 PolarHBondContact O-N 2.75Å; L668-K670 VanDerWaalsContact C-N 3.27Å; L668-K670 PolarHBondContact O-N 3.17Å; K670-S672 PolarHBondContact O-N 3.42Å; K670-F673 WeakPolarHBondContact O-CB 3.39Å; K670-F673 PolarHBondContact O-N 2.94Å; K670-Q734 PolarHBondContact O-NE2 3.4Å; K670-Q734 VanDerWaalsContact O-NE2 3.08Å; K670-E993 IonicContact NZ-OE1 3.21Å
671	F	95.7	Very high	93.5	Very high	19 Å²	19	44.4 Å²	44.4	8%	0.083	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.4	173.6	-71.6	-58.8	0	0	0	112.4	F673 C738 I739 K742 K889 F958 P960 L961	F671-F673 PolarHBondContact O-N 3.38Å; F671-C738 HydrophobicContact CD1-CB 3.97Å; F671-C738 VanDerWaalsContact CD1-SG 3.52Å; F671-C738 HydrophobicContact CE1-CB 3.69Å; F671-C738 WeakPolarHBondContact CE1-SG 3.39Å; F671-C738 HydrophobicContact CZ-CB 4.34Å; F671-I739 HydrophobicContact CE1-CG1 3.92Å; F671-I739 HydrophobicContact CZ-CG1 4.26Å; F671-K742 HydrophobicContact CE2-CB 4.35Å; F671-K742 HydrophobicContact CE2-CG 4.34Å; F671-K742 HydrophobicContact CZ-CB 4.43Å; F671-K889 WeakPolarHBondContact O-CD 3.37Å; F671-K889 PolarHBondContact O-NZ 2.95Å; F671-F958 HydrophobicContact CE2-CD1 4.38Å; F671-F958 AromaticContact CZ-CD1 3.92Å; F671-F958 HydrophobicContact CZ-CD1 3.92Å; F671-F958 HydrophobicContact CZ-CE1 4.34Å; F671-P960 HydrophobicContact CB-CB 4.4Å; F671-P960 HydrophobicContact CD2-CB 3.93Å; F671-P960 HydrophobicContact CD2-CG 4.18Å; F671-L961 HydrophobicContact CB-CD2 4.19Å; F671-L961 HydrophobicContact CD1-CD1 4.17Å; F671-L961 HydrophobicContact CD1-CD2 3.56Å; F671-L961 HydrophobicContact CD1-CG 3.87Å; F671-L961 HydrophobicContact CD2-CG 4.44Å; F671-L961 HydrophobicContact CE1-CD1 3.83Å; F671-L961 HydrophobicContact CE1-CD2 4.09Å; F671-L961 HydrophobicContact CE1-CG 4.03Å; F671-L961 HydrophobicContact CG-CD2 3.94Å; F671-L961 HydrophobicContact CG-CG 4.09Å; F671-L961 HydrophobicContact CZ-CD1 4.14Å; F671-L961 HydrophobicContact CZ-CG 4.38Å
672	S	94	Very high	93.6	Very high	32 Å²	32	44.5 Å²	44.5	22%	0.224	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1.9	174.1	51.9	0	0	0	0	114.5	K670 P890 D990	K670-S672 PolarHBondContact O-N 3.42Å; S672-P890 WeakPolarHBondContact O-CD 3.41Å; S672-D990 VanDerWaalsContact CB-OD1 3.31Å; S672-D990 WeakPolarHBondContact CB-OD1 3.32Å; S672-D990 PolarHBondContact OG-OD1 2.87Å; S672-D990 PolarHBondContact OG-OD2 3.33Å
673	F	95.2	Very high	93.7	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	19%	0.19	C	C	.	.			trans	-50	141.7	179.5	171.2	-91.7	0	0	0	113.5	Y666 L668 K670 F671 D675 L678 F730 Q734 K889 G1033	Y666-F673 VanDerWaalsContact O-CD2 3.26Å; Y666-F673 WeakPolarHBondContact O-CD2 3.48Å; Y666-F673 WeakPolarHBondContact O-CE2 3.43Å; L668-F673 HydrophobicContact CD2-CD2 4.29Å; L668-F673 HydrophobicContact CD2-CE2 3.79Å; L668-F673 HydrophobicContact CD2-CZ 4.02Å; K670-F673 WeakPolarHBondContact O-CB 3.39Å; K670-F673 PolarHBondContact O-N 2.94Å; F671-F673 PolarHBondContact O-N 3.38Å; F673-D675 HydrophobicContact CE1-CB 4.15Å; F673-D675 HydrophobicContact CZ-CB 4.38Å; F673-L678 HydrophobicContact CE2-CD2 4.43Å; F673-L678 HydrophobicContact CZ-CD2 3.93Å; F673-F730 AromaticContact CE1-CE1 3.64Å; F673-F730 HydrophobicContact CE1-CE1 3.64Å; F673-F730 HydrophobicContact CE1-CZ 4.1Å; F673-F730 AromaticContact CZ-CE1 3.62Å; F673-F730 HydrophobicContact CZ-CE1 3.62Å; F673-F730 AromaticContact CZ-CZ 3.79Å; F673-F730 HydrophobicContact CZ-CZ 3.79Å; F673-Q734 HydrophobicContact CB-CG 4.48Å; F673-Q734 HydrophobicContact CD1-CB 4.31Å; F673-Q734 VanDerWaalsContact CD1-CD 3.48Å; F673-Q734 HydrophobicContact CD1-CG 3.59Å; F673-Q734 VanDerWaalsContact CD1-OE1 3.31Å; F673-Q734 HydrophobicContact CE1-CB 4.35Å; F673-Q734 HydrophobicContact CE1-CG 3.91Å; F673-Q734 HydrophobicContact CG-CG 3.96Å; F673-K889 PolarHBondContact O-NZ 2.96Å; F673-G1033 WeakPolarHBondContact CA-O 3.42Å
674	T	93.3	Very high	93.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	19%	0.186	C	C	.	.			trans	-136.8	134.4	175.1	178.4	0	0	0	0	113.1	V676 V893 G1033 T1034 L1035	T674-V676 VanDerWaalsContact OG1-CG2 3.3Å; T674-V676 WeakPolarHBondContact OG1-CG2 3.5Å; T674-V676 PolarHBondContact OG1-N 3.27Å; T674-V893 HydrophobicContact CG2-CG2 4.5Å; T674-V893 WeakPolarHBondContact OG1-CG2 3.35Å; T674-G1033 WeakPolarHBondContact CG2-O 3.27Å; T674-G1033 PolarHBondContact N-O 3Å; T674-G1033 CarbonylContact O-C 3.51Å; T674-G1033 VanDerWaalsContact O-CA 3.29Å; T674-G1033 WeakPolarHBondContact O-CA 3.35Å; T674-T1034 VanDerWaalsContact CG2-C 3.44Å; T674-L1035 HydrophobicContact CG2-CD1 4.36Å; T674-L1035 HydrophobicContact CG2-CG 4.01Å
675	D	93.5	Very high	94.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.155	C	C	.	.			trans	-88.4	-0.2	179.7	78.3	-51	0	0	0	114	F673 R677 L678 R727 F730 N731 R1055	F673-D675 HydrophobicContact CE1-CB 4.15Å; F673-D675 HydrophobicContact CZ-CB 4.38Å; D675-R677 PolarHBondContact O-N 3.2Å; D675-L678 WeakPolarHBondContact O-CB 3.36Å; D675-L678 PolarHBondContact O-N 2.98Å; D675-R727 WeakPolarHBondContact OD2-CD 3.13Å; D675-R727 IonicContact OD2-NH1 3.99Å; D675-F730 HydrophobicContact CB-CD1 3.88Å; D675-F730 HydrophobicContact CB-CE1 3.69Å; D675-N731 PolarHBondContact OD1-ND2 3.15Å; D675-N731 PolarHBondContact OD2-ND2 3.5Å; D675-R1055 IonicContact OD1-NH2 3.92Å; D675-R1055 PolarHBondContact OD1-NH2 2.81Å; D675-R1055 IonicContact OD2-NH2 3.7Å; D675-R1055 PolarHBondContact OD2-NH2 2.81Å
676	V	89.6	Confident	94.4	Very high	18 Å²	18	26.8 Å²	26.8	11%	0.109	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32	-170.9	169.4	0	0	0	0	113.3	T674 L896	T674-V676 VanDerWaalsContact OG1-CG2 3.3Å; T674-V676 WeakPolarHBondContact OG1-CG2 3.5Å; T674-V676 PolarHBondContact OG1-N 3.27Å; V676-L896 HydrophobicContact CG2-CD2 4.31Å
677	R	88.3	Confident	94.6	Very high	75 Å²	75	26.7 Å²	26.7	28%	0.283	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	2.3	-178.9	-60.3	-166.5	-68	156.2	-0.7	114.3	D675 T1030 S1031 L1032 T1034	D675-R677 PolarHBondContact O-N 3.2Å; R677-T1030 PolarHBondContact NH1-OG1 3.32Å; R677-S1031 PolarHBondContact NH2-O 3.44Å; R677-L1032 HydrophobicContact CB-CD2 4.26Å; R677-L1032 WeakPolarHBondContact O-CD2 3.44Å; R677-T1034 PolarHBondContact NE-O 3.05Å; R677-T1034 PolarHBondContact NH2-O 3.14Å; R677-T1034 PolarHBondContact NH2-OG1 2.52Å; R677-T1034 VanDerWaalsContact NH2-OG1 3.14Å
678	L	92.6	Very high	94.7	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.125	C	C	.	.			trans	-86.2	136.1	179.4	-84	63.2	0	0	0	110.1	Y666 F673 D675 D682 T683 R727 F730 L1032	Y666-L678 HydrophobicContact CD1-CD2 4.49Å; F673-L678 HydrophobicContact CE2-CD2 4.43Å; F673-L678 HydrophobicContact CZ-CD2 3.93Å; D675-L678 WeakPolarHBondContact O-CB 3.36Å; D675-L678 PolarHBondContact O-N 2.98Å; L678-D682 HydrophobicContact CB-CB 3.96Å; L678-D682 HydrophobicContact CD2-CB 4.35Å; L678-D682 HydrophobicContact CG-CB 3.93Å; L678-T683 HydrophobicContact CB-CG2 4.12Å; L678-T683 HydrophobicContact CD2-CG2 4.37Å; L678-R727 PolarHBondContact O-NH1 3.17Å; L678-R727 PolarHBondContact O-NH2 3.35Å; L678-F730 HydrophobicContact CD2-CE1 4.03Å; L678-F730 HydrophobicContact CD2-CZ 3.98Å; L678-L1032 HydrophobicContact CD1-CB 4.11Å; L678-L1032 HydrophobicContact CD1-CD2 3.87Å; L678-L1032 HydrophobicContact CG-CD2 4.4Å
679	S	94.8	Very high	94.7	Very high	52 Å²	52	26.5 Å²	26.5	36%	0.364	13%	0.132	S	C	.	.			trans	-72.3	166	165.5	69.9	0	0	0	0	110.9	E681 D682 T683	S679-E681 PolarHBondContact O-N 3.47Å; S679-E681 PolarHBondContact OG-N 3.33Å; S679-D682 WeakPolarHBondContact CB-OD2 3.34Å; S679-D682 PolarHBondContact N-OD2 3.1Å; S679-D682 WeakPolarHBondContact O-CB 3.23Å; S679-D682 PolarHBondContact O-N 3.32Å; S679-D682 VanDerWaalsContact O-N 3.11Å; S679-D682 PolarHBondContact OG-N 2.9Å; S679-D682 VanDerWaalsContact OG-N 3.13Å; S679-D682 PolarHBondContact OG-OD2 3.49Å; S679-T683 WeakPolarHBondContact O-CG2 3.27Å; S679-T683 PolarHBondContact O-N 3.38Å
680	D	93.1	Very high	94.8	Very high	61 Å²	61	25.3 Å²	25.3	33%	0.326	13%	0.126	S	C	.	.	H	α-helix	trans	-58	-37.6	173.2	-86.1	17.7	0	0	0	111.5	D682 T683 L684 R715 R727	D680-D682 VanDerWaalsContact C-N 3.35Å; D680-D682 PolarHBondContact O-N 3.48Å; D680-T683 PolarHBondContact O-N 2.86Å; D680-T683 PolarHBondContact O-OG1 3.14Å; D680-L684 WeakPolarHBondContact O-CG 3.48Å; D680-L684 PolarHBondContact O-N 3.29Å; D680-L684 VanDerWaalsContact O-N 3.13Å; D680-R715 IonicContact OD2-CZ 2.68Å; D680-R715 IonicContact OD2-NH1 3.08Å; D680-R715 PolarHBondContact OD2-NH1 3.37Å; D680-R727 IonicContact OD1-CZ 3.53Å; D680-R727 IonicContact OD1-NE 2.85Å; D680-R727 PolarHBondContact OD1-NE 2.74Å; D680-R727 VanDerWaalsContact OD1-NE 3.08Å; D680-R727 IonicContact OD1-NH2 2.64Å; D680-R727 PolarHBondContact OD1-NH2 3.33Å
681	E	94.9	Very high	94.7	Very high	91 Å²	91	22.8 Å²	22.8	43%	0.425	12%	0.115	S	C	.	.	H	α-helix	trans	-64.7	-39.5	175.8	-169.5	179.1	160.2	0	0	111.8	S679 L684 K685	S679-E681 PolarHBondContact O-N 3.47Å; S679-E681 PolarHBondContact OG-N 3.33Å; E681-L684 PolarHBondContact O-N 3.47Å; E681-K685 HydrophobicContact CG-CD 4.45Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.97Å; E681-K685 WeakPolarHBondContact OE1-CE 3.48Å; E681-K685 IonicContact OE1-NZ 3.37Å; E681-K685 PolarHBondContact OE1-NZ 3.2Å
682	D	96.1	Very high	94.6	Very high	35 Å²	35	24.2 Å²	24.2	19%	0.187	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-40.1	175.9	-61.5	-47.9	0	0	0	111.5	Y666 L678 S679 D680 L684 K685 A686	Y666-D682 HydrophobicContact CE1-CB 4.15Å; L678-D682 HydrophobicContact CB-CB 3.96Å; L678-D682 HydrophobicContact CD2-CB 4.35Å; L678-D682 HydrophobicContact CG-CB 3.93Å; S679-D682 WeakPolarHBondContact CB-OD2 3.34Å; S679-D682 PolarHBondContact N-OD2 3.1Å; S679-D682 WeakPolarHBondContact O-CB 3.23Å; S679-D682 PolarHBondContact O-N 3.32Å; S679-D682 VanDerWaalsContact O-N 3.11Å; S679-D682 PolarHBondContact OG-N 2.9Å; S679-D682 VanDerWaalsContact OG-N 3.13Å; S679-D682 PolarHBondContact OG-OD2 3.49Å; D680-D682 VanDerWaalsContact C-N 3.35Å; D680-D682 PolarHBondContact O-N 3.48Å; D682-L684 VanDerWaalsContact C-N 3.35Å; D682-L684 PolarHBondContact O-N 3.25Å; D682-K685 PolarHBondContact O-N 3.09Å; D682-A686 VanDerWaalsContact O-CB 3.24Å; D682-A686 WeakPolarHBondContact O-CB 3.5Å; D682-A686 PolarHBondContact O-N 3.14Å
683	T	97.5	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-41.9	176	63.6	0	0	0	0	111.9	L678 S679 D680 A686 C687 W726 R727 F730	L678-T683 HydrophobicContact CB-CG2 4.12Å; L678-T683 HydrophobicContact CD2-CG2 4.37Å; S679-T683 WeakPolarHBondContact O-CG2 3.27Å; S679-T683 PolarHBondContact O-N 3.38Å; D680-T683 PolarHBondContact O-N 2.86Å; D680-T683 PolarHBondContact O-OG1 3.14Å; T683-A686 PolarHBondContact O-N 3.07Å; T683-C687 PolarHBondContact O-N 3.45Å; T683-C687 PolarHBondContact O-SG 2.99Å; T683-W726 PolarHBondContact OG1-NE1 3.35Å; T683-R727 VanDerWaalsContact CG2-NH1 3.27Å; T683-F730 HydrophobicContact CG2-CD1 3.84Å; T683-F730 HydrophobicContact CG2-CD2 4.46Å; T683-F730 HydrophobicContact CG2-CE1 3.92Å; T683-F730 HydrophobicContact CG2-CG 4.11Å; T683-F730 HydrophobicContact CG2-CZ 4.28Å; T683-F730 WeakPolarHBondContact O-CE2 3.32Å
684	L	97.8	Very high	94.2	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-45.1	175.9	-70.3	165.2	0	0	0	111.8	L655 D680 E681 D682 A686 C687 I688 L711 L712 R715 W726	L655-L684 HydrophobicContact CD1-CB 4.2Å; L655-L684 HydrophobicContact CD2-CB 4.15Å; D680-L684 WeakPolarHBondContact O-CG 3.48Å; D680-L684 PolarHBondContact O-N 3.29Å; D680-L684 VanDerWaalsContact O-N 3.13Å; E681-L684 PolarHBondContact O-N 3.47Å; D682-L684 VanDerWaalsContact C-N 3.35Å; D682-L684 PolarHBondContact O-N 3.25Å; L684-A686 VanDerWaalsContact C-N 3.34Å; L684-C687 WeakPolarHBondContact O-CB 3.25Å; L684-C687 PolarHBondContact O-N 3.46Å; L684-I688 PolarHBondContact O-N 3.33Å; L684-I688 VanDerWaalsContact O-N 3.11Å; L684-L711 HydrophobicContact CB-CD2 4.48Å; L684-L711 HydrophobicContact CD2-CD2 3.92Å; L684-L711 HydrophobicContact CD2-CG 3.74Å; L684-L712 HydrophobicContact CD1-CD2 3.58Å; L684-L712 HydrophobicContact CD2-CD2 4.37Å; L684-R715 HydrophobicContact CD2-CB 4.23Å; L684-W726 HydrophobicContact CD2-CH2 4.22Å; L684-W726 HydrophobicContact CD2-CZ2 3.79Å; L684-W726 HydrophobicContact CG-CZ2 4.35Å
685	K	97.1	Very high	93.8	Very high	30 Å²	30	30 Å²	30	13%	0.13	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-37.6	176.3	-71.1	176.5	-176.7	162.6	0	111.9	L655 I660 E681 D682 I688 R689	L655-K685 HydrophobicContact CD1-CG 4.04Å; I660-K685 HydrophobicContact CD1-CB 4.15Å; I660-K685 HydrophobicContact CD1-CG 3.86Å; I660-K685 WeakPolarHBondContact CG2-O 3.5Å; E681-K685 HydrophobicContact CG-CD 4.45Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.97Å; E681-K685 WeakPolarHBondContact OE1-CE 3.48Å; E681-K685 IonicContact OE1-NZ 3.37Å; E681-K685 PolarHBondContact OE1-NZ 3.2Å; D682-K685 PolarHBondContact O-N 3.09Å; K685-I688 PolarHBondContact O-N 3.43Å; K685-R689 PolarHBondContact O-N 3.34Å
686	A	97.5	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-41.1	175	0	0	0	0	0	111.6	Y666 L668 D682 T683 L684 I688 R689 M690 F730	Y666-A686 HydrophobicContact CD2-CB 4.22Å; Y666-A686 HydrophobicContact CE2-CB 4.25Å; L668-A686 HydrophobicContact CD1-CB 4.07Å; L668-A686 HydrophobicContact CD2-CB 4.08Å; D682-A686 VanDerWaalsContact O-CB 3.24Å; D682-A686 WeakPolarHBondContact O-CB 3.5Å; D682-A686 PolarHBondContact O-N 3.14Å; T683-A686 PolarHBondContact O-N 3.07Å; L684-A686 VanDerWaalsContact C-N 3.34Å; A686-I688 PolarHBondContact O-N 2.99Å; A686-R689 WeakPolarHBondContact O-CB 3.28Å; A686-R689 PolarHBondContact O-N 3.16Å; A686-M690 WeakPolarHBondContact O-CG 3.39Å; A686-M690 PolarHBondContact O-N 3.23Å; A686-F730 HydrophobicContact CB-CE2 3.68Å; A686-F730 HydrophobicContact CB-CZ 3.78Å
687	C	97.4	Very high	92.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-47.6	170.9	-68.9	0	0	0	0	112.1	T683 L684 R689 M690 F691 L711 F730	T683-C687 PolarHBondContact O-N 3.45Å; T683-C687 PolarHBondContact O-SG 2.99Å; L684-C687 WeakPolarHBondContact O-CB 3.25Å; L684-C687 PolarHBondContact O-N 3.46Å; C687-R689 VanDerWaalsContact C-N 3.29Å; C687-R689 PolarHBondContact O-N 2.95Å; C687-M690 HydrophobicContact CB-CE 4.39Å; C687-M690 PolarHBondContact O-N 3.22Å; C687-M690 VanDerWaalsContact O-N 3.16Å; C687-F691 VanDerWaalsContact O-CD2 3.3Å; C687-F691 WeakPolarHBondContact O-CD2 3.46Å; C687-F691 PolarHBondContact O-N 2.93Å; C687-F691 VanDerWaalsContact O-N 3.1Å; C687-L711 HydrophobicContact CB-CD1 4.04Å; C687-L711 HydrophobicContact CB-CD2 3.76Å; C687-F730 VanDerWaalsContact SG-CD2 3.56Å
688	I	95.6	Very high	91.4	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-42	176.1	-66.4	171.6	0	0	0	110.8	L655 I660 L684 K685 A686 M690 F691 Q692 F707 L711	L655-I688 HydrophobicContact CD1-CD1 3.84Å; L655-I688 HydrophobicContact CD2-CD1 3.92Å; L655-I688 HydrophobicContact CG-CD1 3.58Å; I660-I688 HydrophobicContact CD1-CB 4.3Å; I660-I688 HydrophobicContact CD1-CD1 4.2Å; I660-I688 HydrophobicContact CD1-CG2 4.07Å; I660-I688 HydrophobicContact CG1-CG2 3.95Å; I660-I688 HydrophobicContact CG2-CG2 4.31Å; L684-I688 PolarHBondContact O-N 3.33Å; L684-I688 VanDerWaalsContact O-N 3.11Å; K685-I688 PolarHBondContact O-N 3.43Å; A686-I688 PolarHBondContact O-N 2.99Å; I688-M690 PolarHBondContact O-N 3.2Å; I688-F691 PolarHBondContact O-N 3.01Å; I688-Q692 HydrophobicContact CG2-CG 4.25Å; I688-Q692 WeakPolarHBondContact O-CB 3.39Å; I688-Q692 VanDerWaalsContact O-CG 3.29Å; I688-Q692 WeakPolarHBondContact O-CG 3.5Å; I688-Q692 PolarHBondContact O-N 2.91Å; I688-F707 HydrophobicContact CG1-CD1 4.32Å; I688-F707 HydrophobicContact CG1-CE1 3.98Å; I688-L711 HydrophobicContact CG1-CD2 4.02Å
689	R	95.4	Very high	90.5	Very high	40 Å²	40	38 Å²	38	15%	0.151	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-45.4	175.2	174.7	53.1	62	-148.9	-6.3	111.8	I660 P661 M663 L668 K685 A686 C687 F691 Q692 E693	I660-R689 HydrophobicContact CG2-CB 3.85Å; I660-R689 PolarHBondContact O-NH2 3.43Å; P661-R689 PolarHBondContact O-NE 2.83Å; P661-R689 PolarHBondContact O-NH2 3.24Å; M663-R689 HydrophobicContact CB-CG 4.28Å; L668-R689 HydrophobicContact CD1-CB 4.22Å; L668-R689 HydrophobicContact CD1-CG 3.94Å; K685-R689 PolarHBondContact O-N 3.34Å; A686-R689 WeakPolarHBondContact O-CB 3.28Å; A686-R689 PolarHBondContact O-N 3.16Å; C687-R689 VanDerWaalsContact C-N 3.29Å; C687-R689 PolarHBondContact O-N 2.95Å; R689-F691 VanDerWaalsContact C-N 3.35Å; R689-F691 PolarHBondContact O-N 3.12Å; R689-Q692 VanDerWaalsContact CZ-OE1 3.27Å; R689-Q692 PolarHBondContact O-N 2.68Å; R689-E693 WeakPolarHBondContact O-CB 3.5Å; R689-E693 PolarHBondContact O-N 3.17Å
690	M	96	Very high	89.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-44.4	178.5	-68.9	-173.3	-71.9	0	0	111.8	L668 A686 C687 I688 E693 M694 F730 T733 Q734 F737	L668-M690 HydrophobicContact CD1-CG 4.03Å; L668-M690 HydrophobicContact CD2-SD 4.46Å; A686-M690 WeakPolarHBondContact O-CG 3.39Å; A686-M690 PolarHBondContact O-N 3.23Å; C687-M690 HydrophobicContact CB-CE 4.39Å; C687-M690 PolarHBondContact O-N 3.22Å; C687-M690 VanDerWaalsContact O-N 3.16Å; I688-M690 PolarHBondContact O-N 3.2Å; M690-E693 PolarHBondContact O-N 3.42Å; M690-M694 WeakPolarHBondContact O-CG 3.36Å; M690-M694 PolarHBondContact O-N 3.21Å; M690-M694 VanDerWaalsContact O-N 3.16Å; M690-F730 HydrophobicContact CE-CD2 4.39Å; M690-F730 HydrophobicContact CE-CE2 4.02Å; M690-T733 HydrophobicContact CE-CG2 3.77Å; M690-Q734 HydrophobicContact SD-CB 4.13Å; M690-Q734 HydrophobicContact SD-CG 4.44Å; M690-F737 HydrophobicContact CB-CB 4.36Å; M690-F737 HydrophobicContact CB-CD2 3.61Å; M690-F737 HydrophobicContact CB-CE2 4.02Å; M690-F737 HydrophobicContact CB-CG 3.91Å; M690-F737 HydrophobicContact CG-CB 4.08Å; M690-F737 HydrophobicContact CG-CD1 3.82Å; M690-F737 HydrophobicContact CG-CD2 3.82Å; M690-F737 HydrophobicContact CG-CE1 4.22Å; M690-F737 HydrophobicContact CG-CE2 4.23Å; M690-F737 HydrophobicContact CG-CG 3.61Å; M690-F737 HydrophobicContact CG-CZ 4.42Å; M690-F737 WeakPolarHBondContact O-CE2 3.44Å; M690-F737 HydrophobicContact SD-CB 3.55Å; M690-F737 VanDerWaalsContact SD-CB 3.55Å; M690-F737 HydrophobicContact SD-CD1 4Å; M690-F737 HydrophobicContact SD-CD2 4.43Å; M690-F737 HydrophobicContact SD-CG 3.73Å
691	F	94	Very high	88.8	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-34.5	177.7	-81.2	-116.5	0	0	0	112.7	C687 I688 R689 F696 F702 F707 L755 L758 L762	C687-F691 VanDerWaalsContact O-CD2 3.3Å; C687-F691 WeakPolarHBondContact O-CD2 3.46Å; C687-F691 PolarHBondContact O-N 2.93Å; C687-F691 VanDerWaalsContact O-N 3.1Å; I688-F691 PolarHBondContact O-N 3.01Å; R689-F691 VanDerWaalsContact C-N 3.35Å; R689-F691 PolarHBondContact O-N 3.12Å; F691-F696 HydrophobicContact CB-CD2 4.23Å; F691-F696 AromaticContact CD1-CD2 3.81Å; F691-F696 HydrophobicContact CD1-CD2 3.81Å; F691-F696 HydrophobicContact CD1-CE2 4.09Å; F691-F696 HydrophobicContact CG-CD2 4.23Å; F691-F696 HydrophobicContact CG-CE2 4.4Å; F691-F702 HydrophobicContact CD1-CE2 4.22Å; F691-F702 AromaticContact CD1-CZ 3.71Å; F691-F702 HydrophobicContact CD1-CZ 3.71Å; F691-F702 HydrophobicContact CE1-CZ 4.24Å; F691-F707 HydrophobicContact CB-CE1 4.23Å; F691-F707 HydrophobicContact CB-CZ 4.24Å; F691-F707 HydrophobicContact CD1-CE1 4.22Å; F691-F707 AromaticContact CD1-CE2 3.71Å; F691-F707 HydrophobicContact CD1-CE2 3.71Å; F691-F707 AromaticContact CD1-CZ 3.51Å; F691-F707 HydrophobicContact CD1-CZ 3.51Å; F691-F707 HydrophobicContact CD2-CE1 4.39Å; F691-F707 AromaticContact CD2-CZ 3.7Å; F691-F707 HydrophobicContact CD2-CZ 3.7Å; F691-F707 HydrophobicContact CE1-CD2 4.49Å; F691-F707 AromaticContact CE1-CE2 3.5Å; F691-F707 HydrophobicContact CE1-CE2 3.5Å; F691-F707 AromaticContact CE1-CZ 3.64Å; F691-F707 HydrophobicContact CE1-CZ 3.64Å; F691-F707 HydrophobicContact CE2-CE2 4.36Å; F691-F707 AromaticContact CE2-CZ 3.84Å; F691-F707 HydrophobicContact CE2-CZ 3.84Å; F691-F707 HydrophobicContact CG-CE1 4.04Å; F691-F707 HydrophobicContact CG-CE2 4.23Å; F691-F707 AromaticContact CG-CZ 3.54Å; F691-F707 HydrophobicContact CG-CZ 3.54Å; F691-F707 AromaticContact CZ-CE2 3.86Å; F691-F707 HydrophobicContact CZ-CE2 3.86Å; F691-F707 AromaticContact CZ-CZ 3.81Å; F691-F707 HydrophobicContact CZ-CZ 3.81Å; F691-L755 HydrophobicContact CD1-CD1 4.08Å; F691-L755 HydrophobicContact CE1-CD1 3.67Å; F691-L758 HydrophobicContact CE2-CB 3.93Å; F691-L758 HydrophobicContact CZ-CB 3.82Å; F691-L762 HydrophobicContact CE2-CD1 3.81Å; F691-L762 HydrophobicContact CZ-CD1 3.93Å
692	Q	92.3	Very high	87.9	Confident	48 Å²	48	36.5 Å²	36.5	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-40.5	173.9	-76	179.2	-6.1	0	0	112.2	I688 R689 M694 N695 M697	I688-Q692 HydrophobicContact CG2-CG 4.25Å; I688-Q692 WeakPolarHBondContact O-CB 3.39Å; I688-Q692 VanDerWaalsContact O-CG 3.29Å; I688-Q692 WeakPolarHBondContact O-CG 3.5Å; I688-Q692 PolarHBondContact O-N 2.91Å; R689-Q692 VanDerWaalsContact CZ-OE1 3.27Å; R689-Q692 PolarHBondContact O-N 2.68Å; Q692-M694 VanDerWaalsContact C-N 3.35Å; Q692-N695 PolarHBondContact O-N 2.86Å; Q692-N695 VanDerWaalsContact O-N 3.12Å; Q692-M697 HydrophobicContact CG-CG 4.26Å
693	E	91.8	Very high	87.5	Confident	82 Å²	82	37.4 Å²	37.4	38%	0.383	18%	0.181	S	C	.	.	H	α-helix	trans	-69.5	-33.9	-179.1	-160.4	69.6	-156.7	0	0	111.8	M663 R689 M690 N695 F737	M663-E693 HydrophobicContact SD-CG 4.01Å; R689-E693 WeakPolarHBondContact O-CB 3.5Å; R689-E693 PolarHBondContact O-N 3.17Å; M690-E693 PolarHBondContact O-N 3.42Å; E693-N695 PolarHBondContact O-N 2.82Å; E693-N695 VanDerWaalsContact O-N 3.12Å; E693-F737 HydrophobicContact CB-CE2 3.89Å; E693-F737 HydrophobicContact CB-CZ 3.93Å; E693-F737 HydrophobicContact CG-CE2 4.34Å; E693-F737 HydrophobicContact CG-CZ 4.02Å
694	M	90.2	Very high	87.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	1.3	172	-68.2	-68.9	164.4	0	0	113.8	M690 Q692 F696 F737 L740 L741 Q746 L758	M690-M694 WeakPolarHBondContact O-CG 3.36Å; M690-M694 PolarHBondContact O-N 3.21Å; M690-M694 VanDerWaalsContact O-N 3.16Å; Q692-M694 VanDerWaalsContact C-N 3.35Å; M694-F696 HydrophobicContact CB-CD1 4.29Å; M694-F696 HydrophobicContact CB-CD2 3.87Å; M694-F696 HydrophobicContact CB-CE1 3.89Å; M694-F696 HydrophobicContact CB-CE2 3.44Å; M694-F696 VanDerWaalsContact CB-CE2 3.44Å; M694-F696 HydrophobicContact CB-CG 4.27Å; M694-F696 HydrophobicContact CB-CZ 3.45Å; M694-F696 VanDerWaalsContact CB-CZ 3.45Å; M694-F696 HydrophobicContact CG-CE2 4.09Å; M694-F696 HydrophobicContact CG-CZ 4.04Å; M694-F696 PolarHBondContact O-N 2.85Å; M694-F696 VanDerWaalsContact O-N 3.09Å; M694-F737 HydrophobicContact CE-CD2 3.28Å; M694-F737 HydrophobicContact CE-CE2 3.47Å; M694-F737 VanDerWaalsContact CE-CE2 3.47Å; M694-F737 HydrophobicContact CE-CG 4.17Å; M694-F737 HydrophobicContact CE-CZ 4.48Å; M694-F737 WeakPolarHBondContact CE-O 3.34Å; M694-F737 HydrophobicContact CG-CD2 4.04Å; M694-F737 HydrophobicContact CG-CE2 4.05Å; M694-L740 HydrophobicContact CE-CB 3.61Å; M694-L740 HydrophobicContact CE-CD1 4.4Å; M694-L740 HydrophobicContact SD-CB 4.39Å; M694-L741 HydrophobicContact CE-CB 4.21Å; M694-Q746 PolarHBondContact O-NE2 3.4Å; M694-Q746 HydrophobicContact SD-CG 4.06Å; M694-L758 HydrophobicContact CG-CD1 3.88Å
695	N	85.2	Confident	87	Confident	73 Å²	73	42.7 Å²	42.7	39%	0.39	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.2	174	-163.5	43.6	0	0	0	115.8	Q692 E693 M697 K698 S699	Q692-N695 PolarHBondContact O-N 2.86Å; Q692-N695 VanDerWaalsContact O-N 3.12Å; E693-N695 PolarHBondContact O-N 2.82Å; E693-N695 VanDerWaalsContact O-N 3.12Å; N695-M697 PolarHBondContact O-N 3.23Å; N695-M697 VanDerWaalsContact O-N 3.09Å; N695-K698 PolarHBondContact O-N 3.13Å; N695-K698 WeakPolarHBondContact OD1-CD 3.41Å; N695-K698 WeakPolarHBondContact OD1-CG 3.34Å; N695-S699 PolarHBondContact O-N 3.49Å; N695-S699 PolarHBondContact O-OG 3.46Å
696	F	80.9	Confident	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-29	174.9	-56.6	-43	0	0	0	112.8	F691 M694 K698 S699 I700 F702 D751 C754 L755 L758	F691-F696 HydrophobicContact CB-CD2 4.23Å; F691-F696 AromaticContact CD1-CD2 3.81Å; F691-F696 HydrophobicContact CD1-CD2 3.81Å; F691-F696 HydrophobicContact CD1-CE2 4.09Å; F691-F696 HydrophobicContact CG-CD2 4.23Å; F691-F696 HydrophobicContact CG-CE2 4.4Å; M694-F696 HydrophobicContact CB-CD1 4.29Å; M694-F696 HydrophobicContact CB-CD2 3.87Å; M694-F696 HydrophobicContact CB-CE1 3.89Å; M694-F696 HydrophobicContact CB-CE2 3.44Å; M694-F696 VanDerWaalsContact CB-CE2 3.44Å; M694-F696 HydrophobicContact CB-CG 4.27Å; M694-F696 HydrophobicContact CB-CZ 3.45Å; M694-F696 VanDerWaalsContact CB-CZ 3.45Å; M694-F696 HydrophobicContact CG-CE2 4.09Å; M694-F696 HydrophobicContact CG-CZ 4.04Å; M694-F696 PolarHBondContact O-N 2.85Å; M694-F696 VanDerWaalsContact O-N 3.09Å; F696-K698 PolarHBondContact O-N 3.44Å; F696-S699 PolarHBondContact O-N 3.26Å; F696-I700 HydrophobicContact CB-CD1 4.35Å; F696-I700 HydrophobicContact CD1-CD1 3.99Å; F696-I700 HydrophobicContact CG-CD1 4.47Å; F696-I700 PolarHBondContact O-N 3.48Å; F696-F702 HydrophobicContact CB-CD2 4.35Å; F696-D751 WeakPolarHBondContact CE1-O 3.21Å; F696-C754 HydrophobicContact CE1-CB 3.82Å; F696-C754 HydrophobicContact CZ-CB 3.8Å; F696-L755 HydrophobicContact CD1-CB 4.36Å; F696-L755 HydrophobicContact CD2-CD1 4Å; F696-L755 HydrophobicContact CE1-CB 4.07Å; F696-L755 HydrophobicContact CE2-CB 4.45Å; F696-L755 HydrophobicContact CE2-CD1 4.13Å; F696-L755 HydrophobicContact CG-CD1 4.36Å; F696-L755 HydrophobicContact CZ-CB 4.12Å; F696-L758 HydrophobicContact CE2-CD1 3.78Å; F696-L758 HydrophobicContact CZ-CD1 4.02Å
697	M	68	Low	86.8	Confident	57 Å²	57	42 Å²	42	28%	0.281	21%	0.206	S	C	.	.	H	α-helix	trans	-56.2	-33.6	177	-55.8	-63.7	-64.7	0	0	113.1	Q692 N695 F702 Q704	Q692-M697 HydrophobicContact CG-CG 4.26Å; N695-M697 PolarHBondContact O-N 3.23Å; N695-M697 VanDerWaalsContact O-N 3.09Å; M697-F702 HydrophobicContact CE-CD1 4.45Å; M697-F702 HydrophobicContact SD-CB 3.88Å; M697-F702 HydrophobicContact SD-CD1 3.43Å; M697-F702 WeakPolarHBondContact SD-CD1 3.42Å; M697-F702 HydrophobicContact SD-CE1 4.22Å; M697-F702 HydrophobicContact SD-CG 4.03Å; M697-Q704 HydrophobicContact CE-CB 3.94Å; M697-Q704 HydrophobicContact CE-CG 4.29Å
698	K	71.3	Confident	86.7	Confident	163 Å²	163	42 Å²	42	71%	0.709	21%	0.206	S	C	*	.	H	α-helix	trans	-95.4	-39.9	179.5	-66.8	-174.1	-171.9	167.3	0	112.5	N695 F696	N695-K698 PolarHBondContact O-N 3.13Å; N695-K698 WeakPolarHBondContact OD1-CD 3.41Å; N695-K698 WeakPolarHBondContact OD1-CG 3.34Å; F696-K698 PolarHBondContact O-N 3.44Å
699	S	73.2	Confident	86.8	Confident	52 Å²	52	44.1 Å²	44.1	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-78.2	-28.4	-174.5	52.5	0	0	0	0	114	N695 F696 D751	N695-S699 PolarHBondContact O-N 3.49Å; N695-S699 PolarHBondContact O-OG 3.46Å; F696-S699 PolarHBondContact O-N 3.26Å; S699-D751 WeakPolarHBondContact CB-OD2 3.34Å; S699-D751 PolarHBondContact OG-OD2 3.41Å
700	I	76.7	Confident	86.9	Confident	14 Å²	14	42.2 Å²	42.2	7%	0.072	21%	0.206	C	C	.	.	S	Bend	trans	-117.9	7.3	-171.1	-57.8	169.6	0	0	0	112.5	F696 F702 D751 L752 L755 L815	F696-I700 HydrophobicContact CB-CD1 4.35Å; F696-I700 HydrophobicContact CD1-CD1 3.99Å; F696-I700 HydrophobicContact CG-CD1 4.47Å; F696-I700 PolarHBondContact O-N 3.48Å; I700-F702 PolarHBondContact O-N 2.95Å; I700-D751 HydrophobicContact CD1-CB 4.21Å; I700-L752 HydrophobicContact CD1-CD2 4.01Å; I700-L752 HydrophobicContact CG1-CD2 4.32Å; I700-L755 HydrophobicContact CD1-CB 4.26Å; I700-L755 HydrophobicContact CD1-CD2 3.75Å; I700-L815 HydrophobicContact CG2-CD2 3.46Å; I700-L815 VanDerWaalsContact CG2-CD2 3.46Å; I700-L815 HydrophobicContact CG2-CG 4.16Å
701	H	74.9	Confident	86.9	Confident	144 Å²	144	42.2 Å²	42.2	67%	0.667	21%	0.206	S	C	*	.			trans	49.8	45.3	-173	-66.4	-71	0	0	0	112.5	D703 N814	H701-D703 PolarHBondContact O-N 3.19Å; H701-N814 HydrophobicContact CB-CB 4.22Å; H701-N814 PolarHBondContact O-ND2 2.96Å
702	F	77.2	Confident	87.1	Confident	13 Å²	13	42.7 Å²	42.7	6%	0.057	21%	0.209	C	C	.	.			trans	-62.9	123.2	-169.6	-162.3	-99.4	0	0	0	113.2	F691 F696 M697 I700 Q704 F707 L755 F811	F691-F702 HydrophobicContact CD1-CE2 4.22Å; F691-F702 AromaticContact CD1-CZ 3.71Å; F691-F702 HydrophobicContact CD1-CZ 3.71Å; F691-F702 HydrophobicContact CE1-CZ 4.24Å; F696-F702 HydrophobicContact CB-CD2 4.35Å; M697-F702 HydrophobicContact CE-CD1 4.45Å; M697-F702 HydrophobicContact SD-CB 3.88Å; M697-F702 HydrophobicContact SD-CD1 3.43Å; M697-F702 WeakPolarHBondContact SD-CD1 3.42Å; M697-F702 HydrophobicContact SD-CE1 4.22Å; M697-F702 HydrophobicContact SD-CG 4.03Å; I700-F702 PolarHBondContact O-N 2.95Å; F702-Q704 PolarHBondContact O-N 3.41Å; F702-F707 HydrophobicContact CD1-CB 4.12Å; F702-F707 HydrophobicContact CD1-CG 4.43Å; F702-F707 HydrophobicContact CE1-CB 3.25Å; F702-F707 AromaticContact CE1-CD1 3.55Å; F702-F707 HydrophobicContact CE1-CD1 3.55Å; F702-F707 AromaticContact CE1-CD2 3.71Å; F702-F707 HydrophobicContact CE1-CD2 3.71Å; F702-F707 HydrophobicContact CE1-CE1 4.25Å; F702-F707 HydrophobicContact CE1-CE2 4.37Å; F702-F707 AromaticContact CE1-CG 3.21Å; F702-F707 HydrophobicContact CE1-CG 3.21Å; F702-F707 HydrophobicContact CE2-CD2 4.38Å; F702-F707 HydrophobicContact CZ-CB 3.67Å; F702-F707 AromaticContact CZ-CD1 3.95Å; F702-F707 HydrophobicContact CZ-CD1 3.95Å; F702-F707 AromaticContact CZ-CD2 3.27Å; F702-F707 HydrophobicContact CZ-CD2 3.27Å; F702-F707 HydrophobicContact CZ-CE1 4.37Å; F702-F707 AromaticContact CZ-CE2 3.77Å; F702-F707 HydrophobicContact CZ-CE2 3.77Å; F702-F707 AromaticContact CZ-CG 3.35Å; F702-F707 HydrophobicContact CZ-CG 3.35Å; F702-F707 HydrophobicContact CZ-CZ 4.29Å; F702-L755 HydrophobicContact CE2-CD1 3.91Å; F702-F811 HydrophobicContact CD2-CD2 4.25Å; F702-F811 AromaticContact CE2-CD2 3.38Å; F702-F811 HydrophobicContact CE2-CD2 3.38Å; F702-F811 AromaticContact CE2-CE2 3.85Å; F702-F811 HydrophobicContact CE2-CE2 3.85Å; F702-F811 HydrophobicContact CE2-CG 4.41Å; F702-F811 AromaticContact CZ-CD2 3.72Å; F702-F811 HydrophobicContact CZ-CD2 3.72Å; F702-F811 HydrophobicContact CZ-CE2 4.25Å; F702-F811 HydrophobicContact CZ-CG 4.43Å
703	D	87.8	Confident	87.4	Confident	55 Å²	55	40.4 Å²	40.4	29%	0.294	20%	0.198	S	C	.	.			trans	-78.9	104.9	176.5	177.9	29.8	0	0	0	111.4	H701 L705 S706 F707	H701-D703 PolarHBondContact O-N 3.19Å; D703-L705 VanDerWaalsContact C-N 3.27Å; D703-L705 PolarHBondContact O-N 3.25Å; D703-L705 PolarHBondContact OD1-N 3.43Å; D703-S706 PolarHBondContact O-N 3.17Å; D703-S706 WeakPolarHBondContact OD2-CB 3.4Å; D703-S706 PolarHBondContact OD2-N 2.95Å; D703-S706 PolarHBondContact OD2-OG 2.93Å; D703-F707 WeakPolarHBondContact O-CB 3.48Å; D703-F707 PolarHBondContact O-N 3.32Å
704	Q	89.8	Confident	87.7	Confident	56 Å²	56	36.5 Å²	36.5	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-33.5	-177	-165.5	160.1	-15	0	0	113.3	A656 M697 F702 A708	A656-Q704 HydrophobicContact CB-CG 4.38Å; A656-Q704 PolarHBondContact O-NE2 3.07Å; M697-Q704 HydrophobicContact CE-CB 3.94Å; M697-Q704 HydrophobicContact CE-CG 4.29Å; F702-Q704 PolarHBondContact O-N 3.41Å; Q704-A708 VanDerWaalsContact O-CB 3.31Å; Q704-A708 WeakPolarHBondContact O-CB 3.44Å; Q704-A708 PolarHBondContact O-N 2.62Å
705	L	94.2	Very high	88	Confident	63 Å²	63	40.1 Å²	40.1	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-71.8	-46.9	-179.7	179.2	59.6	0	0	0	110.7	A652 K653 A656 D703 F707 A708 R709	A652-L705 HydrophobicContact CB-CD1 4.14Å; K653-L705 HydrophobicContact CB-CD1 4.39Å; K653-L705 HydrophobicContact CG-CD1 3.69Å; K653-L705 HydrophobicContact CG-CD2 4.45Å; A656-L705 HydrophobicContact CB-CD1 4.26Å; D703-L705 VanDerWaalsContact C-N 3.27Å; D703-L705 PolarHBondContact O-N 3.25Å; D703-L705 PolarHBondContact OD1-N 3.43Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 3.42Å; L705-A708 PolarHBondContact O-N 2.95Å; L705-R709 PolarHBondContact O-N 2.75Å
706	S	94.6	Very high	88.5	Confident	13 Å²	13	41.4 Å²	41.4	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-39	176	-64.7	0	0	0	0	111.9	D703 R709 W710 G808	D703-S706 PolarHBondContact O-N 3.17Å; D703-S706 WeakPolarHBondContact OD2-CB 3.4Å; D703-S706 PolarHBondContact OD2-N 2.95Å; D703-S706 PolarHBondContact OD2-OG 2.93Å; S706-R709 PolarHBondContact O-N 2.89Å; S706-W710 WeakPolarHBondContact O-CB 2.93Å; S706-W710 PolarHBondContact O-N 3.46Å; S706-G808 VanDerWaalsContact CA-O 3.27Å; S706-G808 WeakPolarHBondContact CA-O 3.36Å; S706-G808 WeakPolarHBondContact CB-O 3.42Å; S706-G808 PolarHBondContact OG-O 3.5Å
707	F	95.2	Very high	89.2	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-45.8	175.3	179.7	-114.5	0	0	0	112.8	I688 F691 F702 D703 L705 R709 W710 L711 F811	I688-F707 HydrophobicContact CG1-CD1 4.32Å; I688-F707 HydrophobicContact CG1-CE1 3.98Å; F691-F707 HydrophobicContact CB-CE1 4.23Å; F691-F707 HydrophobicContact CB-CZ 4.24Å; F691-F707 HydrophobicContact CD1-CE1 4.22Å; F691-F707 AromaticContact CD1-CE2 3.71Å; F691-F707 HydrophobicContact CD1-CE2 3.71Å; F691-F707 AromaticContact CD1-CZ 3.51Å; F691-F707 HydrophobicContact CD1-CZ 3.51Å; F691-F707 HydrophobicContact CD2-CE1 4.39Å; F691-F707 AromaticContact CD2-CZ 3.7Å; F691-F707 HydrophobicContact CD2-CZ 3.7Å; F691-F707 HydrophobicContact CE1-CD2 4.49Å; F691-F707 AromaticContact CE1-CE2 3.5Å; F691-F707 HydrophobicContact CE1-CE2 3.5Å; F691-F707 AromaticContact CE1-CZ 3.64Å; F691-F707 HydrophobicContact CE1-CZ 3.64Å; F691-F707 HydrophobicContact CE2-CE2 4.36Å; F691-F707 AromaticContact CE2-CZ 3.84Å; F691-F707 HydrophobicContact CE2-CZ 3.84Å; F691-F707 HydrophobicContact CG-CE1 4.04Å; F691-F707 HydrophobicContact CG-CE2 4.23Å; F691-F707 AromaticContact CG-CZ 3.54Å; F691-F707 HydrophobicContact CG-CZ 3.54Å; F691-F707 AromaticContact CZ-CE2 3.86Å; F691-F707 HydrophobicContact CZ-CE2 3.86Å; F691-F707 AromaticContact CZ-CZ 3.81Å; F691-F707 HydrophobicContact CZ-CZ 3.81Å; F702-F707 HydrophobicContact CD1-CB 4.12Å; F702-F707 HydrophobicContact CD1-CG 4.43Å; F702-F707 HydrophobicContact CE1-CB 3.25Å; F702-F707 AromaticContact CE1-CD1 3.55Å; F702-F707 HydrophobicContact CE1-CD1 3.55Å; F702-F707 AromaticContact CE1-CD2 3.71Å; F702-F707 HydrophobicContact CE1-CD2 3.71Å; F702-F707 HydrophobicContact CE1-CE1 4.25Å; F702-F707 HydrophobicContact CE1-CE2 4.37Å; F702-F707 AromaticContact CE1-CG 3.21Å; F702-F707 HydrophobicContact CE1-CG 3.21Å; F702-F707 HydrophobicContact CE2-CD2 4.38Å; F702-F707 HydrophobicContact CZ-CB 3.67Å; F702-F707 AromaticContact CZ-CD1 3.95Å; F702-F707 HydrophobicContact CZ-CD1 3.95Å; F702-F707 AromaticContact CZ-CD2 3.27Å; F702-F707 HydrophobicContact CZ-CD2 3.27Å; F702-F707 HydrophobicContact CZ-CE1 4.37Å; F702-F707 AromaticContact CZ-CE2 3.77Å; F702-F707 HydrophobicContact CZ-CE2 3.77Å; F702-F707 AromaticContact CZ-CG 3.35Å; F702-F707 HydrophobicContact CZ-CG 3.35Å; F702-F707 HydrophobicContact CZ-CZ 4.29Å; D703-F707 WeakPolarHBondContact O-CB 3.48Å; D703-F707 PolarHBondContact O-N 3.32Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 3.42Å; F707-R709 PolarHBondContact O-N 3.22Å; F707-W710 AromaticContact CD2-CE3 3.85Å; F707-W710 HydrophobicContact CD2-CE3 3.85Å; F707-W710 HydrophobicContact CD2-CZ3 4.27Å; F707-W710 AromaticContact CE2-CE3 3.73Å; F707-W710 HydrophobicContact CE2-CE3 3.73Å; F707-W710 AromaticContact CE2-CZ3 3.69Å; F707-W710 HydrophobicContact CE2-CZ3 3.69Å; F707-W710 PolarHBondContact O-N 3.39Å; F707-L711 HydrophobicContact CE1-CD2 4.32Å; F707-L711 HydrophobicContact CZ-CD1 4.48Å; F707-L711 VanDerWaalsContact O-CB 3.24Å; F707-L711 WeakPolarHBondContact O-CB 3.12Å; F707-L711 PolarHBondContact O-N 2.89Å; F707-F811 HydrophobicContact CB-CB 3.87Å; F707-F811 HydrophobicContact CB-CG 4.37Å; F707-F811 HydrophobicContact CD2-CB 4.41Å; F707-F811 HydrophobicContact CD2-CD1 4.25Å; F707-F811 HydrophobicContact CD2-CD2 4.11Å; F707-F811 HydrophobicContact CD2-CE2 4.45Å; F707-F811 AromaticContact CD2-CG 3.99Å; F707-F811 HydrophobicContact CD2-CG 3.99Å
708	A	96.6	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-39	177	0	0	0	0	0	111.4	L655 A656 Q704 L705 L712	L655-A708 HydrophobicContact CB-CB 4.36Å; L655-A708 HydrophobicContact CD2-CB 4.19Å; L655-A708 HydrophobicContact CG-CB 4.29Å; A656-A708 HydrophobicContact CB-CB 3.88Å; Q704-A708 VanDerWaalsContact O-CB 3.31Å; Q704-A708 WeakPolarHBondContact O-CB 3.44Å; Q704-A708 PolarHBondContact O-N 2.62Å; L705-A708 PolarHBondContact O-N 2.95Å; A708-L712 WeakPolarHBondContact O-CB 3.47Å; A708-L712 WeakPolarHBondContact O-CD1 3.07Å; A708-L712 VanDerWaalsContact O-CG 3.28Å; A708-L712 WeakPolarHBondContact O-CG 3.46Å; A708-L712 PolarHBondContact O-N 2.87Å
709	R	96.9	Very high	91.7	Very high	48 Å²	48	38.3 Å²	38.3	18%	0.181	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-44.2	177	-160.2	-169.7	178.6	133.7	1.1	112.4	A647 T649 A652 L705 S706 F707 S713 G808 N809	A647-R709 PolarHBondContact O-NE 3.05Å; T649-R709 PolarHBondContact OG1-NH1 2.94Å; T649-R709 PolarHBondContact OG1-NH2 3.24Å; A652-R709 HydrophobicContact CB-CB 3.58Å; A652-R709 HydrophobicContact CB-CG 3.79Å; L705-R709 PolarHBondContact O-N 2.75Å; S706-R709 PolarHBondContact O-N 2.89Å; F707-R709 PolarHBondContact O-N 3.22Å; R709-S713 WeakPolarHBondContact O-CB 3.26Å; R709-S713 PolarHBondContact O-N 2.92Å; R709-S713 PolarHBondContact O-OG 2.97Å; R709-G808 WeakPolarHBondContact CD-O 3.42Å; R709-N809 WeakPolarHBondContact CD-OD1 3.42Å; R709-N809 WeakPolarHBondContact CG-OD1 3.48Å
710	W	97.2	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-48.7	174.4	175	85.5	0	0	0	111.2	S706 F707 L712 S713 V714 T759 L762 S763 F800 N809 F811	S706-W710 WeakPolarHBondContact O-CB 2.93Å; S706-W710 PolarHBondContact O-N 3.46Å; F707-W710 AromaticContact CD2-CE3 3.85Å; F707-W710 HydrophobicContact CD2-CE3 3.85Å; F707-W710 HydrophobicContact CD2-CZ3 4.27Å; F707-W710 AromaticContact CE2-CE3 3.73Å; F707-W710 HydrophobicContact CE2-CE3 3.73Å; F707-W710 AromaticContact CE2-CZ3 3.69Å; F707-W710 HydrophobicContact CE2-CZ3 3.69Å; F707-W710 PolarHBondContact O-N 3.39Å; W710-L712 PolarHBondContact O-N 3.33Å; W710-S713 CarbonylContact O-C 3.53Å; W710-S713 WeakPolarHBondContact O-CA 3.35Å; W710-S713 WeakPolarHBondContact O-CB 3.16Å; W710-S713 PolarHBondContact O-N 3.43Å; W710-V714 HydrophobicContact CD2-CG2 3.89Å; W710-V714 VanDerWaalsContact CE2-CG2 3.46Å; W710-V714 HydrophobicContact CE3-CG2 4.35Å; W710-V714 HydrophobicContact CG-CG2 4.42Å; W710-V714 HydrophobicContact CH2-CG2 4.07Å; W710-V714 HydrophobicContact CZ2-CG2 3.58Å; W710-V714 HydrophobicContact CZ3-CG2 4.44Å; W710-V714 WeakPolarHBondContact O-CG2 3.26Å; W710-V714 PolarHBondContact O-N 3.01Å; W710-T759 HydrophobicContact CH2-CG2 3.72Å; W710-T759 HydrophobicContact CZ2-CG2 3.7Å; W710-L762 HydrophobicContact CH2-CB 4.05Å; W710-L762 HydrophobicContact CH2-CD1 4.03Å; W710-L762 HydrophobicContact CZ3-CD1 3.82Å; W710-S763 WeakPolarHBondContact CZ2-OG 3.39Å; W710-F800 AromaticContact CZ2-CD2 3.85Å; W710-F800 HydrophobicContact CZ2-CD2 3.85Å; W710-F800 AromaticContact CZ2-CE2 3.74Å; W710-F800 HydrophobicContact CZ2-CE2 3.74Å; W710-F800 AromaticContact NE1-CE2 3.88Å; W710-N809 HydrophobicContact CB-CB 4.19Å; W710-N809 WeakPolarHBondContact CB-O 3.47Å; W710-F811 HydrophobicContact CB-CD1 3.88Å; W710-F811 HydrophobicContact CB-CE1 4.44Å; W710-F811 AromaticContact CD1-CE1 3.89Å; W710-F811 AromaticContact CD2-CD1 3.72Å; W710-F811 HydrophobicContact CD2-CD1 3.72Å; W710-F811 AromaticContact CD2-CE1 3.38Å; W710-F811 HydrophobicContact CD2-CE1 3.38Å; W710-F811 HydrophobicContact CD2-CZ 4.38Å; W710-F811 AromaticContact CE2-CE1 3.51Å; W710-F811 HydrophobicContact CE3-CD1 4.1Å; W710-F811 AromaticContact CE3-CE1 3.75Å; W710-F811 HydrophobicContact CE3-CE1 3.75Å; W710-F811 HydrophobicContact CE3-CZ 4.43Å; W710-F811 AromaticContact CG-CD1 3.59Å; W710-F811 HydrophobicContact CG-CD1 3.59Å; W710-F811 AromaticContact CG-CE1 3.68Å; W710-F811 HydrophobicContact CG-CE1 3.68Å; W710-F811 HydrophobicContact CH2-CE1 4.36Å; W710-F811 HydrophobicContact CZ2-CE1 4.02Å; W710-F811 HydrophobicContact CZ2-CZ 4.48Å; W710-F811 HydrophobicContact CZ3-CE1 4.23Å; W710-F811 AromaticContact NE1-CE1 3.81Å
711	L	97.7	Very high	93.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-44.6	-179.2	-173.7	69.6	0	0	0	112.2	L684 C687 I688 F707 S713 V714 R715 W726 L762	L684-L711 HydrophobicContact CB-CD2 4.48Å; L684-L711 HydrophobicContact CD2-CD2 3.92Å; L684-L711 HydrophobicContact CD2-CG 3.74Å; C687-L711 HydrophobicContact CB-CD1 4.04Å; C687-L711 HydrophobicContact CB-CD2 3.76Å; I688-L711 HydrophobicContact CG1-CD2 4.02Å; F707-L711 HydrophobicContact CE1-CD2 4.32Å; F707-L711 HydrophobicContact CZ-CD1 4.48Å; F707-L711 VanDerWaalsContact O-CB 3.24Å; F707-L711 WeakPolarHBondContact O-CB 3.12Å; F707-L711 PolarHBondContact O-N 2.89Å; L711-S713 VanDerWaalsContact C-N 3.3Å; L711-S713 PolarHBondContact O-N 2.97Å; L711-V714 PolarHBondContact O-N 2.9Å; L711-R715 PolarHBondContact O-N 3.29Å; L711-W726 HydrophobicContact CD1-CH2 3.74Å; L711-W726 HydrophobicContact CG-CH2 4.33Å; L711-L762 HydrophobicContact CD1-CD1 3.7Å; L711-L762 HydrophobicContact CD1-CD2 4.3Å
712	L	97.9	Very high	94.2	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-39.1	173.6	-75.7	165	0	0	0	111.9	A647 E651 A652 L655 L684 A708 W710 K716	A647-L712 HydrophobicContact CB-CB 3.34Å; A647-L712 HydrophobicContact CB-CD1 4.31Å; A647-L712 HydrophobicContact CB-CG 4.44Å; E651-L712 HydrophobicContact CB-CD1 4Å; A652-L712 HydrophobicContact CB-CD1 4.18Å; L655-L712 HydrophobicContact CB-CD1 4.27Å; L655-L712 HydrophobicContact CD2-CD1 4.01Å; L655-L712 HydrophobicContact CD2-CD2 4.07Å; L655-L712 HydrophobicContact CD2-CG 3.74Å; L684-L712 HydrophobicContact CD1-CD2 3.58Å; L684-L712 HydrophobicContact CD2-CD2 4.37Å; A708-L712 WeakPolarHBondContact O-CB 3.47Å; A708-L712 WeakPolarHBondContact O-CD1 3.07Å; A708-L712 VanDerWaalsContact O-CG 3.28Å; A708-L712 WeakPolarHBondContact O-CG 3.46Å; A708-L712 PolarHBondContact O-N 2.87Å; W710-L712 PolarHBondContact O-N 3.33Å; L712-K716 WeakPolarHBondContact O-CB 3.32Å; L712-K716 PolarHBondContact O-N 3.36Å
713	S	97.4	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-43.9	177.7	-54.9	0	0	0	0	110.7	A647 R709 W710 L711 R715 K716 N717 N809	A647-S713 PolarHBondContact N-OG 2.99Å; R709-S713 WeakPolarHBondContact O-CB 3.26Å; R709-S713 PolarHBondContact O-N 2.92Å; R709-S713 PolarHBondContact O-OG 2.97Å; W710-S713 CarbonylContact O-C 3.53Å; W710-S713 WeakPolarHBondContact O-CA 3.35Å; W710-S713 WeakPolarHBondContact O-CB 3.16Å; W710-S713 PolarHBondContact O-N 3.43Å; L711-S713 VanDerWaalsContact C-N 3.3Å; L711-S713 PolarHBondContact O-N 2.97Å; S713-R715 PolarHBondContact O-N 2.93Å; S713-K716 WeakPolarHBondContact O-CB 3.49Å; S713-K716 PolarHBondContact O-N 2.94Å; S713-K716 VanDerWaalsContact O-N 3.17Å; S713-N717 PolarHBondContact O-N 3.27Å; S713-N717 VanDerWaalsContact O-N 3.08Å; S713-N717 PolarHBondContact O-ND2 3.07Å; S713-N809 PolarHBondContact OG-ND2 3.33Å
714	V	98	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-52.4	173.5	167.9	0	0	0	0	110.7	W710 L711 K716 N717 Y718 W726 L762 I766 I803	W710-V714 HydrophobicContact CD2-CG2 3.89Å; W710-V714 VanDerWaalsContact CE2-CG2 3.46Å; W710-V714 HydrophobicContact CE3-CG2 4.35Å; W710-V714 HydrophobicContact CG-CG2 4.42Å; W710-V714 HydrophobicContact CH2-CG2 4.07Å; W710-V714 HydrophobicContact CZ2-CG2 3.58Å; W710-V714 HydrophobicContact CZ3-CG2 4.44Å; W710-V714 WeakPolarHBondContact O-CG2 3.26Å; W710-V714 PolarHBondContact O-N 3.01Å; L711-V714 PolarHBondContact O-N 2.9Å; V714-K716 VanDerWaalsContact C-N 3.26Å; V714-K716 PolarHBondContact O-N 3.31Å; V714-N717 PolarHBondContact O-N 3.01Å; V714-Y718 HydrophobicContact CG1-CD2 4.22Å; V714-Y718 HydrophobicContact CG1-CE2 3.72Å; V714-Y718 WeakPolarHBondContact O-CD2 3.41Å; V714-Y718 PolarHBondContact O-N 2.94Å; V714-W726 HydrophobicContact CG1-CZ3 3.98Å; V714-L762 WeakPolarHBondContact CG1-O 3.46Å; V714-I766 HydrophobicContact CB-CD1 4.35Å; V714-I766 HydrophobicContact CG1-CD1 3.76Å; V714-I766 HydrophobicContact CG1-CG1 4.05Å; V714-I766 HydrophobicContact CG2-CD1 3.99Å; V714-I803 HydrophobicContact CG2-CD1 4.41Å; V714-I803 HydrophobicContact CG2-CG2 4.31Å
715	R	97.3	Very high	95.8	Very high	78 Å²	78	39.7 Å²	39.7	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-53	-45.2	175.7	-175.3	-168	78	85.3	11.5	111.7	D680 L684 L711 S713 N717 Y718 W726	D680-R715 IonicContact OD2-CZ 2.68Å; D680-R715 IonicContact OD2-NH1 3.08Å; D680-R715 PolarHBondContact OD2-NH1 3.37Å; L684-R715 HydrophobicContact CD2-CB 4.23Å; L711-R715 PolarHBondContact O-N 3.29Å; S713-R715 PolarHBondContact O-N 2.93Å; R715-N717 PolarHBondContact O-N 3.18Å; R715-Y718 PolarHBondContact O-N 3.38Å; R715-W726 HydrophobicContact CB-CD2 3.87Å; R715-W726 HydrophobicContact CB-CE3 3.91Å; R715-W726 HydrophobicContact CB-CG 4.37Å; R715-W726 HydrophobicContact CB-CH2 4.38Å; R715-W726 HydrophobicContact CB-CZ2 4.36Å; R715-W726 HydrophobicContact CB-CZ3 4.17Å; R715-W726 HydrophobicContact CG-CB 4.23Å; R715-W726 HydrophobicContact CG-CD2 3.62Å; R715-W726 HydrophobicContact CG-CE3 4.17Å; R715-W726 HydrophobicContact CG-CG 3.62Å; R715-W726 HydrophobicContact CG-CZ2 4.49Å
716	K	95.7	Very high	95.9	Very high	99 Å²	99	37.2 Å²	37.2	43%	0.43	17%	0.168	S	C	.	.	H	α-helix	trans	-63.5	-26.6	-179.4	-171.5	-176.1	-175.6	-168.4	0	113.2	H644 T646 L712 S713 V714	H644-K716 WeakPolarHBondContact O-CE 3.46Å; H644-K716 PolarHBondContact O-NZ 2.96Å; T646-K716 PolarHBondContact O-NZ 2.88Å; L712-K716 WeakPolarHBondContact O-CB 3.32Å; L712-K716 PolarHBondContact O-N 3.36Å; S713-K716 WeakPolarHBondContact O-CB 3.49Å; S713-K716 PolarHBondContact O-N 2.94Å; S713-K716 VanDerWaalsContact O-N 3.17Å; V714-K716 VanDerWaalsContact C-N 3.26Å; V714-K716 PolarHBondContact O-N 3.31Å
717	N	96.1	Very high	96	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	17%	0.171	C	C	.	.	H	α-helix	trans	-95.7	-0.8	-179.3	-71.6	-87.4	0	0	0	113.6	A645 S713 V714 R715 I766 D767 I803	A645-N717 WeakPolarHBondContact CB-OD1 3.34Å; A645-N717 PolarHBondContact O-ND2 3.5Å; S713-N717 PolarHBondContact O-N 3.27Å; S713-N717 VanDerWaalsContact O-N 3.08Å; S713-N717 PolarHBondContact O-ND2 3.07Å; V714-N717 PolarHBondContact O-N 3.01Å; R715-N717 PolarHBondContact O-N 3.18Å; N717-I766 HydrophobicContact CB-CG2 3.76Å; N717-D767 PolarHBondContact O-N 3.29Å; N717-I803 HydrophobicContact CB-CD1 3.85Å
718	Y	97.8	Very high	96.1	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.063	17%	0.172	C	C	.	.	S	Bend	trans	-74.7	132.1	161.1	-83.9	-85.6	0	0	0	109.8	V714 R715 W726 A729 L762 D765 I766	V714-Y718 HydrophobicContact CG1-CD2 4.22Å; V714-Y718 HydrophobicContact CG1-CE2 3.72Å; V714-Y718 WeakPolarHBondContact O-CD2 3.41Å; V714-Y718 PolarHBondContact O-N 2.94Å; R715-Y718 PolarHBondContact O-N 3.38Å; Y718-W726 HydrophobicContact CD2-CB 4.33Å; Y718-W726 AromaticContact CD2-CE3 3.83Å; Y718-W726 HydrophobicContact CD2-CE3 3.83Å; Y718-W726 AromaticContact CE2-CE3 3.98Å; Y718-W726 HydrophobicContact CE2-CE3 3.98Å; Y718-W726 HydrophobicContact CE2-CZ3 4.5Å; Y718-W726 HydrophobicContact CG-CB 4.18Å; Y718-A729 HydrophobicContact CE1-CB 3.88Å; Y718-A729 HydrophobicContact CE2-CB 3.94Å; Y718-A729 WeakPolarHBondContact OH-CB 3.38Å; Y718-L762 VanDerWaalsContact CE2-O 3.23Å; Y718-L762 WeakPolarHBondContact CE2-O 3.46Å; Y718-L762 PolarHBondContact OH-O 3.19Å; Y718-D765 HydrophobicContact CE1-CB 3.65Å; Y718-D765 WeakPolarHBondContact CE1-O 3.36Å; Y718-D765 PolarHBondContact OH-N 3.13Å; Y718-I766 HydrophobicContact CD2-CG1 4.21Å; Y718-I766 HydrophobicContact CE2-CG1 3.54Å
719	R	94	Very high	96.2	Very high	110 Å²	110	38.7 Å²	38.7	42%	0.415	17%	0.172	S	C	.	.			trans	-75.9	156.9	176.6	-66.5	-177.1	176	-92.7	-11.9	111	V721 N725 D767 H768	R719-V721 HydrophobicContact CB-CG1 3.97Å; R719-V721 PolarHBondContact O-N 3.28Å; R719-N725 WeakPolarHBondContact O-CB 3.21Å; R719-D767 IonicContact CZ-OD1 3.59Å; R719-D767 IonicContact NE-OD1 3.5Å; R719-D767 PolarHBondContact NE-OD1 2.83Å; R719-D767 IonicContact NH2-OD1 2.98Å; R719-D767 PolarHBondContact NH2-OD1 3.47Å; R719-D767 IonicContact NH2-OD2 3.78Å; R719-H768 WeakPolarHBondContact CD-O 3.15Å
720	E	91.1	Very high	96.3	Very high	208 Å²	208	36.4 Å²	36.4	97%	0.972	16%	0.164	S	C	*	.			trans	-78.4	61.4	170.2	-63.6	-171.9	170.7	0	0	110.8
721	V	92.9	Very high	96.4	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.145	17%	0.17	C	C	.	.			trans	-91.1	161.3	171.2	-62.4	0	0	0	0	110.7	R719 Y723 H724 N725	R719-V721 HydrophobicContact CB-CG1 3.97Å; R719-V721 PolarHBondContact O-N 3.28Å; V721-Y723 PolarHBondContact O-N 3.03Å; V721-H724 HydrophobicContact CG2-CB 4.29Å; V721-H724 WeakPolarHBondContact CG2-O 3.35Å; V721-N725 HydrophobicContact CG2-CB 4.18Å; V721-N725 PolarHBondContact O-ND2 3.27Å
722	T	92.4	Very high	96.4	Very high	42 Å²	42	37.7 Å²	37.7	26%	0.258	17%	0.17	S	C	.	.	S	Bend	trans	-62.6	-40.2	-169.4	-63.3	0	0	0	0	113.3	M900 N903 E904 E907	T722-M900 HydrophobicContact CG2-CB 4.22Å; T722-M900 VanDerWaalsContact CG2-O 3.3Å; T722-M900 WeakPolarHBondContact CG2-O 3.28Å; T722-N903 HydrophobicContact CG2-CB 3.87Å; T722-E904 PolarHBondContact N-OE2 3.43Å; T722-E907 PolarHBondContact OG1-OE1 2.95Å; T722-E907 VanDerWaalsContact OG1-OE1 3.1Å; T722-E907 PolarHBondContact OG1-OE2 3.36Å
723	Y	95	Very high	96.5	Very high	27 Å²	27	37.1 Å²	37.1	11%	0.106	17%	0.168	C	C	.	.	S	Bend	trans	-124.5	-56.2	-178.8	175.9	-109.7	0	0	0	114.4	V721 N725 H728 T897 M900 V901 E904	V721-Y723 PolarHBondContact O-N 3.03Å; Y723-N725 PolarHBondContact O-N 3.43Å; Y723-N725 PolarHBondContact O-ND2 2.84Å; Y723-H728 AromaticContact CE1-ND1 3.75Å; Y723-H728 HydrophobicContact CE2-CB 4.48Å; Y723-H728 AromaticContact CZ-ND1 3.35Å; Y723-H728 VanDerWaalsContact CZ-ND1 3.35Å; Y723-H728 WeakPolarHBondContact O-CB 3.44Å; Y723-H728 PolarHBondContact OH-CE1 3.4Å; Y723-H728 PolarHBondContact OH-ND1 2.88Å; Y723-T897 HydrophobicContact CD2-CG2 3.98Å; Y723-T897 HydrophobicContact CE2-CG2 3.3Å; Y723-M900 HydrophobicContact CD2-CB 4.31Å; Y723-V901 HydrophobicContact CD1-CB 4.49Å; Y723-V901 HydrophobicContact CD1-CG2 3.5Å; Y723-V901 HydrophobicContact CD2-CG2 3.69Å; Y723-V901 HydrophobicContact CE1-CG2 3.62Å; Y723-V901 HydrophobicContact CE2-CG2 3.83Å; Y723-V901 HydrophobicContact CG-CB 4.43Å; Y723-V901 HydrophobicContact CG-CG2 3.51Å; Y723-E904 WeakPolarHBondContact CA-OE2 3.46Å; Y723-E904 PolarHBondContact N-OE2 3.37Å
724	H	97.1	Very high	96.5	Very high	31 Å²	31	37.1 Å²	37.1	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	-76.5	57.7	-173.7	-62.6	102.9	0	0	0	112.1	V721 D765 H768 E904	V721-H724 HydrophobicContact CG2-CB 4.29Å; V721-H724 WeakPolarHBondContact CG2-O 3.35Å; H724-D765 IonicContact CD2-OD2 2.96Å; H724-D765 PolarHBondContact CD2-OD2 2.63Å; H724-D765 IonicContact CG-OD2 2.79Å; H724-H768 HydrophobicContact CB-CB 4.1Å; H724-H768 WeakPolarHBondContact CB-ND1 3.22Å; H724-H768 AromaticContact CG-CE1 3.81Å; H724-H768 AromaticContact CG-ND1 3.87Å; H724-H768 AromaticContact ND1-CE1 3.53Å; H724-H768 AromaticContact ND1-ND1 3.94Å; H724-E904 IonicContact CE1-OE1 2.72Å; H724-E904 IonicContact CG-OE1 2.74Å; H724-E904 PolarHBondContact N-OE2 2.95Å; H724-E904 IonicContact ND1-OE1 3.81Å; H724-E904 PolarHBondContact ND1-OE1 3.34Å; H724-E904 IonicContact ND1-OE2 3.1Å
725	N	96.2	Very high	96.5	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.16	17%	0.168	C	C	.	.	S	Bend	trans	-113.8	-175.7	-178.7	61.8	51.4	0	0	0	111	R719 V721 Y723 R727 H728 A729	R719-N725 WeakPolarHBondContact O-CB 3.21Å; V721-N725 HydrophobicContact CG2-CB 4.18Å; V721-N725 PolarHBondContact O-ND2 3.27Å; Y723-N725 PolarHBondContact O-N 3.43Å; Y723-N725 PolarHBondContact O-ND2 2.84Å; N725-R727 PolarHBondContact O-N 3.03Å; N725-R727 WeakPolarHBondContact OD1-CB 3.3Å; N725-R727 PolarHBondContact OD1-N 3.48Å; N725-H728 WeakPolarHBondContact O-CB 3.41Å; N725-H728 PolarHBondContact O-N 3.12Å; N725-A729 PolarHBondContact O-N 2.87Å
726	W	97.5	Very high	96.5	Very high	12 Å²	12	33.4 Å²	33.4	5%	0.045	15%	0.154	C	C	.	.	H	α-helix	trans	-51.3	-35.3	-178.7	168.8	-111.8	0	0	0	114.3	T683 L684 L711 V714 R715 Y718 H728 A729 F730 L762	T683-W726 PolarHBondContact OG1-NE1 3.35Å; L684-W726 HydrophobicContact CD2-CH2 4.22Å; L684-W726 HydrophobicContact CD2-CZ2 3.79Å; L684-W726 HydrophobicContact CG-CZ2 4.35Å; L711-W726 HydrophobicContact CD1-CH2 3.74Å; L711-W726 HydrophobicContact CG-CH2 4.33Å; V714-W726 HydrophobicContact CG1-CZ3 3.98Å; R715-W726 HydrophobicContact CB-CD2 3.87Å; R715-W726 HydrophobicContact CB-CE3 3.91Å; R715-W726 HydrophobicContact CB-CG 4.37Å; R715-W726 HydrophobicContact CB-CH2 4.38Å; R715-W726 HydrophobicContact CB-CZ2 4.36Å; R715-W726 HydrophobicContact CB-CZ3 4.17Å; R715-W726 HydrophobicContact CG-CB 4.23Å; R715-W726 HydrophobicContact CG-CD2 3.62Å; R715-W726 HydrophobicContact CG-CE3 4.17Å; R715-W726 HydrophobicContact CG-CG 3.62Å; R715-W726 HydrophobicContact CG-CZ2 4.49Å; Y718-W726 HydrophobicContact CD2-CB 4.33Å; Y718-W726 AromaticContact CD2-CE3 3.83Å; Y718-W726 HydrophobicContact CD2-CE3 3.83Å; Y718-W726 AromaticContact CE2-CE3 3.98Å; Y718-W726 HydrophobicContact CE2-CE3 3.98Å; Y718-W726 HydrophobicContact CE2-CZ3 4.5Å; Y718-W726 HydrophobicContact CG-CB 4.18Å; W726-H728 VanDerWaalsContact C-N 3.34Å; W726-A729 PolarHBondContact O-N 2.72Å; W726-F730 WeakPolarHBondContact O-CB 3.18Å; W726-F730 PolarHBondContact O-N 2.94Å; W726-L762 HydrophobicContact CH2-CD2 3.82Å; W726-L762 HydrophobicContact CZ3-CD2 3.97Å
727	R	96.8	Very high	96.6	Very high	38 Å²	38	28.7 Å²	28.7	14%	0.143	13%	0.133	C	C	.	.	H	α-helix	trans	-69.3	-34	-178.9	-61.3	-60	-174	128.4	7	112	D675 L678 D680 T683 N725 N731	D675-R727 WeakPolarHBondContact OD2-CD 3.13Å; D675-R727 IonicContact OD2-NH1 3.99Å; L678-R727 PolarHBondContact O-NH1 3.17Å; L678-R727 PolarHBondContact O-NH2 3.35Å; D680-R727 IonicContact OD1-CZ 3.53Å; D680-R727 IonicContact OD1-NE 2.85Å; D680-R727 PolarHBondContact OD1-NE 2.74Å; D680-R727 VanDerWaalsContact OD1-NE 3.08Å; D680-R727 IonicContact OD1-NH2 2.64Å; D680-R727 PolarHBondContact OD1-NH2 3.33Å; T683-R727 VanDerWaalsContact CG2-NH1 3.27Å; N725-R727 PolarHBondContact O-N 3.03Å; N725-R727 WeakPolarHBondContact OD1-CB 3.3Å; N725-R727 PolarHBondContact OD1-N 3.48Å; R727-N731 PolarHBondContact O-N 3.2Å; R727-N731 VanDerWaalsContact O-N 3.15Å; R727-N731 PolarHBondContact O-ND2 2.8Å
728	H	97.5	Very high	96.7	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-55.6	172.1	168.2	67.7	0	0	0	110.1	Y723 N725 W726 F730 N731 V732 H764 D765 D883	Y723-H728 AromaticContact CE1-ND1 3.75Å; Y723-H728 HydrophobicContact CE2-CB 4.48Å; Y723-H728 AromaticContact CZ-ND1 3.35Å; Y723-H728 VanDerWaalsContact CZ-ND1 3.35Å; Y723-H728 WeakPolarHBondContact O-CB 3.44Å; Y723-H728 PolarHBondContact OH-CE1 3.4Å; Y723-H728 PolarHBondContact OH-ND1 2.88Å; N725-H728 WeakPolarHBondContact O-CB 3.41Å; N725-H728 PolarHBondContact O-N 3.12Å; W726-H728 VanDerWaalsContact C-N 3.34Å; H728-F730 VanDerWaalsContact C-N 3.27Å; H728-F730 PolarHBondContact O-N 3.23Å; H728-N731 PolarHBondContact O-N 2.82Å; H728-V732 WeakPolarHBondContact CE1-CG2 3.1Å; H728-V732 WeakPolarHBondContact O-CG2 3.36Å; H728-V732 PolarHBondContact O-N 3.46Å; H728-H764 AromaticContact CD2-CE1 3.74Å; H728-H764 AromaticContact CD2-NE2 3.76Å; H728-H764 AromaticContact NE2-CE1 3.34Å; H728-H764 PolarHBondContact NE2-CE1 2.78Å; H728-H764 VanDerWaalsContact NE2-CE1 3.34Å; H728-H764 AromaticContact NE2-NE2 3.09Å; H728-H764 PolarHBondContact NE2-NE2 3.29Å; H728-D765 IonicContact CD2-OD2 3.36Å; H728-D765 PolarHBondContact CD2-OD2 2.83Å; H728-D765 IonicContact NE2-OD2 3.76Å; H728-D765 PolarHBondContact NE2-OD2 2.92Å; H728-D883 IonicContact CE1-OD1 3.45Å; H728-D883 PolarHBondContact CE1-OD1 3.33Å; H728-D883 IonicContact NE2-OD1 2.91Å; H728-D883 PolarHBondContact NE2-OD1 3.4Å
729	A	98.4	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.5	-38.8	178.6	0	0	0	0	0	113.7	Y718 N725 W726 T733	Y718-A729 HydrophobicContact CE1-CB 3.88Å; Y718-A729 HydrophobicContact CE2-CB 3.94Å; Y718-A729 WeakPolarHBondContact OH-CB 3.38Å; N725-A729 PolarHBondContact O-N 2.87Å; W726-A729 PolarHBondContact O-N 2.72Å; A729-T733 WeakPolarHBondContact O-CB 3.23Å; A729-T733 PolarHBondContact O-N 2.79Å; A729-T733 PolarHBondContact O-OG1 3.45Å
730	F	98.5	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-47	173.6	171.5	-109.7	0	0	0	112.6	L668 F673 D675 L678 T683 A686 C687 M690 W726 H728 T733 Q734	L668-F730 HydrophobicContact CD2-CZ 4.42Å; F673-F730 AromaticContact CE1-CE1 3.64Å; F673-F730 HydrophobicContact CE1-CE1 3.64Å; F673-F730 HydrophobicContact CE1-CZ 4.1Å; F673-F730 AromaticContact CZ-CE1 3.62Å; F673-F730 HydrophobicContact CZ-CE1 3.62Å; F673-F730 AromaticContact CZ-CZ 3.79Å; F673-F730 HydrophobicContact CZ-CZ 3.79Å; D675-F730 HydrophobicContact CB-CD1 3.88Å; D675-F730 HydrophobicContact CB-CE1 3.69Å; L678-F730 HydrophobicContact CD2-CE1 4.03Å; L678-F730 HydrophobicContact CD2-CZ 3.98Å; T683-F730 HydrophobicContact CG2-CD1 3.84Å; T683-F730 HydrophobicContact CG2-CD2 4.46Å; T683-F730 HydrophobicContact CG2-CE1 3.92Å; T683-F730 HydrophobicContact CG2-CG 4.11Å; T683-F730 HydrophobicContact CG2-CZ 4.28Å; T683-F730 WeakPolarHBondContact O-CE2 3.32Å; A686-F730 HydrophobicContact CB-CE2 3.68Å; A686-F730 HydrophobicContact CB-CZ 3.78Å; C687-F730 VanDerWaalsContact SG-CD2 3.56Å; M690-F730 HydrophobicContact CE-CD2 4.39Å; M690-F730 HydrophobicContact CE-CE2 4.02Å; W726-F730 WeakPolarHBondContact O-CB 3.18Å; W726-F730 PolarHBondContact O-N 2.94Å; H728-F730 VanDerWaalsContact C-N 3.27Å; H728-F730 PolarHBondContact O-N 3.23Å; F730-T733 WeakPolarHBondContact O-CB 3.43Å; F730-T733 PolarHBondContact O-N 3.26Å; F730-Q734 PolarHBondContact O-N 2.79Å
731	N	98.3	Very high	96.8	Very high	25 Å²	25	13.8 Å²	13.8	13%	0.134	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-39.9	179.1	-82.3	-77.4	0	0	0	112	D675 R727 H728 T733 Q734 T735	D675-N731 PolarHBondContact OD1-ND2 3.15Å; D675-N731 PolarHBondContact OD2-ND2 3.5Å; R727-N731 PolarHBondContact O-N 3.2Å; R727-N731 VanDerWaalsContact O-N 3.15Å; R727-N731 PolarHBondContact O-ND2 2.8Å; H728-N731 PolarHBondContact O-N 2.82Å; N731-T733 VanDerWaalsContact C-N 3.3Å; N731-T733 PolarHBondContact O-N 3.38Å; N731-Q734 PolarHBondContact O-N 2.61Å; N731-T735 PolarHBondContact O-N 2.96Å; N731-T735 PolarHBondContact O-OG1 3.43Å
732	V	98.7	Very high	96.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-58.5	-45.9	173.4	177.8	0	0	0	0	110.2	H728 Q734 T735 M736 C761 C882	H728-V732 WeakPolarHBondContact CE1-CG2 3.1Å; H728-V732 WeakPolarHBondContact O-CG2 3.36Å; H728-V732 PolarHBondContact O-N 3.46Å; V732-Q734 PolarHBondContact O-N 2.84Å; V732-T735 PolarHBondContact O-N 2.84Å; V732-M736 PolarHBondContact O-N 2.93Å; V732-C761 HydrophobicContact CG1-CB 3.99Å; V732-C882 HydrophobicContact CG1-CB 3.77Å
733	T	98.7	Very high	96.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-41.4	176.9	-53.7	0	0	0	0	112.2	M690 A729 F730 N731 M736 F737 L758 C761 L762	M690-T733 HydrophobicContact CE-CG2 3.77Å; A729-T733 WeakPolarHBondContact O-CB 3.23Å; A729-T733 PolarHBondContact O-N 2.79Å; A729-T733 PolarHBondContact O-OG1 3.45Å; F730-T733 WeakPolarHBondContact O-CB 3.43Å; F730-T733 PolarHBondContact O-N 3.26Å; N731-T733 VanDerWaalsContact C-N 3.3Å; N731-T733 PolarHBondContact O-N 3.38Å; T733-M736 PolarHBondContact O-N 3.01Å; T733-F737 WeakPolarHBondContact O-CB 3.38Å; T733-F737 PolarHBondContact O-N 3.47Å; T733-L758 HydrophobicContact CG2-CD2 3.94Å; T733-C761 HydrophobicContact CG2-CB 4.37Å; T733-C761 VanDerWaalsContact OG1-CB 3.25Å; T733-C761 WeakPolarHBondContact OG1-CB 3.49Å; T733-L762 HydrophobicContact CG2-CD1 4.45Å; T733-L762 HydrophobicContact CG2-CD2 4.02Å; T733-L762 HydrophobicContact CG2-CG 3.88Å; T733-L762 VanDerWaalsContact OG1-CD2 3.3Å; T733-L762 WeakPolarHBondContact OG1-CD2 3.45Å; T733-L762 WeakPolarHBondContact OG1-CG 3.44Å; T733-L762 PolarHBondContact OG1-N 2.92Å
734	Q	98.2	Very high	95.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.1	-42.1	176.5	-176.1	-83.8	-39.5	0	0	112.3	L668 K670 F673 M690 F730 N731 V732 F737 C738	L668-Q734 HydrophobicContact CD2-CG 3.92Å; L668-Q734 PolarHBondContact O-NE2 2.97Å; K670-Q734 PolarHBondContact O-NE2 3.4Å; K670-Q734 VanDerWaalsContact O-NE2 3.08Å; F673-Q734 HydrophobicContact CB-CG 4.48Å; F673-Q734 HydrophobicContact CD1-CB 4.31Å; F673-Q734 VanDerWaalsContact CD1-CD 3.48Å; F673-Q734 HydrophobicContact CD1-CG 3.59Å; F673-Q734 VanDerWaalsContact CD1-OE1 3.31Å; F673-Q734 HydrophobicContact CE1-CB 4.35Å; F673-Q734 HydrophobicContact CE1-CG 3.91Å; F673-Q734 HydrophobicContact CG-CG 3.96Å; M690-Q734 HydrophobicContact SD-CB 4.13Å; M690-Q734 HydrophobicContact SD-CG 4.44Å; F730-Q734 PolarHBondContact O-N 2.79Å; N731-Q734 PolarHBondContact O-N 2.61Å; V732-Q734 PolarHBondContact O-N 2.84Å; Q734-F737 WeakPolarHBondContact O-CB 3.35Å; Q734-F737 PolarHBondContact O-N 3.5Å; Q734-C738 WeakPolarHBondContact O-CB 3.49Å; Q734-C738 PolarHBondContact O-N 3.41Å
735	T	98.2	Very high	95	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-43.5	176.2	-59.9	0	0	0	0	110.7	N731 V732 F737 C738 I739 C882 S885 L961	N731-T735 PolarHBondContact O-N 2.96Å; N731-T735 PolarHBondContact O-OG1 3.43Å; V732-T735 PolarHBondContact O-N 2.84Å; T735-F737 VanDerWaalsContact C-N 3.35Å; T735-F737 PolarHBondContact O-N 3.29Å; T735-C738 PolarHBondContact O-N 2.76Å; T735-I739 HydrophobicContact CG2-CD1 4.29Å; T735-I739 HydrophobicContact CG2-CG1 4.46Å; T735-I739 WeakPolarHBondContact O-CG1 3.36Å; T735-I739 PolarHBondContact O-N 2.75Å; T735-C882 HydrophobicContact CG2-CB 4.34Å; T735-S885 WeakPolarHBondContact OG1-CB 3.31Å; T735-S885 PolarHBondContact OG1-OG 2.88Å; T735-L961 HydrophobicContact CG2-CD2 4.49Å
736	M	98.3	Very high	94.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-45.7	175.6	-179.4	62.3	75.2	0	0	111.4	V732 T733 C738 I739 L740 L757 L758 C761 F878 M879 C882	V732-M736 PolarHBondContact O-N 2.93Å; T733-M736 PolarHBondContact O-N 3.01Å; M736-C738 VanDerWaalsContact C-N 3.32Å; M736-C738 PolarHBondContact O-N 2.88Å; M736-I739 PolarHBondContact O-N 3.05Å; M736-L740 HydrophobicContact CG-CD1 4.14Å; M736-L740 HydrophobicContact CG-CG 4.49Å; M736-L740 WeakPolarHBondContact O-CG 3.36Å; M736-L740 PolarHBondContact O-N 2.79Å; M736-L740 HydrophobicContact SD-CD1 4.38Å; M736-L740 HydrophobicContact SD-CG 4.27Å; M736-L757 HydrophobicContact CE-CB 4.22Å; M736-L757 HydrophobicContact CE-CD2 4.08Å; M736-L757 HydrophobicContact CG-CB 4.24Å; M736-L757 HydrophobicContact SD-CB 4.11Å; M736-L757 HydrophobicContact SD-CD1 4.27Å; M736-L758 HydrophobicContact CB-CD2 4.06Å; M736-L758 HydrophobicContact CG-CD2 3.85Å; M736-L758 HydrophobicContact CG-CG 4.43Å; M736-C761 VanDerWaalsContact CB-SG 3.55Å; M736-F878 HydrophobicContact CE-CB 3.92Å; M736-F878 HydrophobicContact SD-CB 4.23Å; M736-M879 HydrophobicContact CE-CG 4.15Å; M736-M879 HydrophobicContact CE-SD 3.6Å; M736-M879 VanDerWaalsContact CE-SD 3.6Å; M736-C882 WeakPolarHBondContact CA-SG 3.46Å; M736-C882 HydrophobicContact CB-CB 4.47Å; M736-C882 PolarHBondContact N-SG 3.03Å
737	F	97.7	Very high	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.3	-46.1	174.8	171.2	-99.7	0	0	0	112	M663 L668 M690 E693 M694 T733 Q734 T735 L740 L741 L758	M663-F737 HydrophobicContact CG-CE1 4.36Å; M663-F737 HydrophobicContact SD-CE1 3.96Å; M663-F737 HydrophobicContact SD-CZ 3.82Å; L668-F737 HydrophobicContact CB-CD1 4.32Å; L668-F737 HydrophobicContact CB-CE1 4.05Å; M690-F737 HydrophobicContact CB-CB 4.36Å; M690-F737 HydrophobicContact CB-CD2 3.61Å; M690-F737 HydrophobicContact CB-CE2 4.02Å; M690-F737 HydrophobicContact CB-CG 3.91Å; M690-F737 HydrophobicContact CG-CB 4.08Å; M690-F737 HydrophobicContact CG-CD1 3.82Å; M690-F737 HydrophobicContact CG-CD2 3.82Å; M690-F737 HydrophobicContact CG-CE1 4.22Å; M690-F737 HydrophobicContact CG-CE2 4.23Å; M690-F737 HydrophobicContact CG-CG 3.61Å; M690-F737 HydrophobicContact CG-CZ 4.42Å; M690-F737 WeakPolarHBondContact O-CE2 3.44Å; M690-F737 HydrophobicContact SD-CB 3.55Å; M690-F737 VanDerWaalsContact SD-CB 3.55Å; M690-F737 HydrophobicContact SD-CD1 4Å; M690-F737 HydrophobicContact SD-CD2 4.43Å; M690-F737 HydrophobicContact SD-CG 3.73Å; E693-F737 HydrophobicContact CB-CE2 3.89Å; E693-F737 HydrophobicContact CB-CZ 3.93Å; E693-F737 HydrophobicContact CG-CE2 4.34Å; E693-F737 HydrophobicContact CG-CZ 4.02Å; M694-F737 HydrophobicContact CE-CD2 3.28Å; M694-F737 HydrophobicContact CE-CE2 3.47Å; M694-F737 VanDerWaalsContact CE-CE2 3.47Å; M694-F737 HydrophobicContact CE-CG 4.17Å; M694-F737 HydrophobicContact CE-CZ 4.48Å; M694-F737 WeakPolarHBondContact CE-O 3.34Å; M694-F737 HydrophobicContact CG-CD2 4.04Å; M694-F737 HydrophobicContact CG-CE2 4.05Å; T733-F737 WeakPolarHBondContact O-CB 3.38Å; T733-F737 PolarHBondContact O-N 3.47Å; Q734-F737 WeakPolarHBondContact O-CB 3.35Å; Q734-F737 PolarHBondContact O-N 3.5Å; T735-F737 VanDerWaalsContact C-N 3.35Å; T735-F737 PolarHBondContact O-N 3.29Å; F737-L740 PolarHBondContact O-N 3.09Å; F737-L741 HydrophobicContact CE1-CD2 4.07Å; F737-L741 HydrophobicContact CZ-CD2 4.05Å; F737-L741 VanDerWaalsContact O-CB 3.32Å; F737-L741 WeakPolarHBondContact O-CB 3.36Å; F737-L741 PolarHBondContact O-N 3.41Å; F737-L758 HydrophobicContact CB-CD2 4Å
738	C	96.8	Very high	93.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-37.9	179.1	-168.6	0	0	0	0	112.5	D669 F671 Q734 T735 M736 L741 K742	D669-C738 PolarHBondContact O-SG 3.18Å; D669-C738 VanDerWaalsContact O-SG 3.37Å; F671-C738 HydrophobicContact CD1-CB 3.97Å; F671-C738 VanDerWaalsContact CD1-SG 3.52Å; F671-C738 HydrophobicContact CE1-CB 3.69Å; F671-C738 WeakPolarHBondContact CE1-SG 3.39Å; F671-C738 HydrophobicContact CZ-CB 4.34Å; Q734-C738 WeakPolarHBondContact O-CB 3.49Å; Q734-C738 PolarHBondContact O-N 3.41Å; T735-C738 PolarHBondContact O-N 2.76Å; M736-C738 VanDerWaalsContact C-N 3.32Å; M736-C738 PolarHBondContact O-N 2.88Å; C738-L741 PolarHBondContact O-N 2.75Å; C738-K742 WeakPolarHBondContact O-CB 3.47Å; C738-K742 WeakPolarHBondContact O-CG 3.22Å; C738-K742 PolarHBondContact O-N 3.27Å
739	I	96.2	Very high	93	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-49.7	173	-75.7	-176.7	0	0	0	110.3	F671 T735 M736 L741 G743 F878 F958 L961	F671-I739 HydrophobicContact CE1-CG1 3.92Å; F671-I739 HydrophobicContact CZ-CG1 4.26Å; T735-I739 HydrophobicContact CG2-CD1 4.29Å; T735-I739 HydrophobicContact CG2-CG1 4.46Å; T735-I739 WeakPolarHBondContact O-CG1 3.36Å; T735-I739 PolarHBondContact O-N 2.75Å; M736-I739 PolarHBondContact O-N 3.05Å; I739-L741 VanDerWaalsContact C-N 3.35Å; I739-L741 PolarHBondContact O-N 3.16Å; I739-G743 PolarHBondContact O-N 3.19Å; I739-F878 HydrophobicContact CG2-CD1 4.23Å; I739-F878 HydrophobicContact CG2-CD2 3.71Å; I739-F878 HydrophobicContact CG2-CE1 4.24Å; I739-F878 HydrophobicContact CG2-CE2 3.71Å; I739-F878 HydrophobicContact CG2-CG 3.98Å; I739-F878 HydrophobicContact CG2-CZ 3.98Å; I739-F958 HydrophobicContact CB-CE1 4.19Å; I739-F958 HydrophobicContact CB-CZ 4.31Å; I739-F958 HydrophobicContact CG1-CE1 4.21Å; I739-F958 HydrophobicContact CG2-CE1 4Å; I739-F958 HydrophobicContact CG2-CE2 4.37Å; I739-F958 HydrophobicContact CG2-CZ 3.61Å; I739-L961 HydrophobicContact CD1-CD1 4.24Å; I739-L961 HydrophobicContact CG1-CD1 4.27Å
740	L	95.5	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-42.1	-179.5	-69.1	174.5	0	0	0	111.9	M694 M736 F737 F745 F749 C754 L757 L758	M694-L740 HydrophobicContact CE-CB 3.61Å; M694-L740 HydrophobicContact CE-CD1 4.4Å; M694-L740 HydrophobicContact SD-CB 4.39Å; M736-L740 HydrophobicContact CG-CD1 4.14Å; M736-L740 HydrophobicContact CG-CG 4.49Å; M736-L740 WeakPolarHBondContact O-CG 3.36Å; M736-L740 PolarHBondContact O-N 2.79Å; M736-L740 HydrophobicContact SD-CD1 4.38Å; M736-L740 HydrophobicContact SD-CG 4.27Å; F737-L740 PolarHBondContact O-N 3.09Å; L740-F745 HydrophobicContact CD2-CB 4.01Å; L740-F745 PolarHBondContact O-N 3.44Å; L740-F745 VanDerWaalsContact O-N 3.07Å; L740-F749 HydrophobicContact CD2-CD2 4.14Å; L740-C754 HydrophobicContact CD1-CB 4.37Å; L740-L757 HydrophobicContact CD2-CD1 4.43Å; L740-L758 HydrophobicContact CD1-CD1 4.36Å; L740-L758 HydrophobicContact CD1-CG 4.19Å
741	L	93	Very high	92.3	Very high	51 Å²	51	24.7 Å²	24.7	27%	0.267	13%	0.134	S	C	.	.	H	α-helix	trans	-73.1	-53.8	-178.7	-176.1	67.8	0	0	0	112.8	M663 D669 M694 F737 C738 I739 D744	M663-L741 HydrophobicContact CE-CD2 4.42Å; M663-L741 HydrophobicContact SD-CD2 3.68Å; D669-L741 HydrophobicContact CB-CD2 3.74Å; M694-L741 HydrophobicContact CE-CB 4.21Å; F737-L741 HydrophobicContact CE1-CD2 4.07Å; F737-L741 HydrophobicContact CZ-CD2 4.05Å; F737-L741 VanDerWaalsContact O-CB 3.32Å; F737-L741 WeakPolarHBondContact O-CB 3.36Å; F737-L741 PolarHBondContact O-N 3.41Å; C738-L741 PolarHBondContact O-N 2.75Å; I739-L741 VanDerWaalsContact C-N 3.35Å; I739-L741 PolarHBondContact O-N 3.16Å; L741-D744 PolarHBondContact O-N 3.25Å
742	K	88.3	Confident	92.1	Very high	69 Å²	69	25 Å²	25	30%	0.3	14%	0.136	S	C	.	.	H	α-helix	trans	-73.7	-27.5	-174.9	-67.5	-67.3	-179.2	-172.4	0	112.8	D669 F671 C738 D744 N957	D669-K742 WeakPolarHBondContact O-CE 3.44Å; D669-K742 IonicContact OD2-NZ 3.15Å; D669-K742 PolarHBondContact OD2-NZ 2.96Å; D669-K742 VanDerWaalsContact OD2-NZ 3.08Å; F671-K742 HydrophobicContact CE2-CB 4.35Å; F671-K742 HydrophobicContact CE2-CG 4.34Å; F671-K742 HydrophobicContact CZ-CB 4.43Å; C738-K742 WeakPolarHBondContact O-CB 3.47Å; C738-K742 WeakPolarHBondContact O-CG 3.22Å; C738-K742 PolarHBondContact O-N 3.27Å; K742-D744 VanDerWaalsContact C-N 3.32Å; K742-N957 PolarHBondContact O-ND2 2.62Å
743	G	83.7	Confident	91.9	Very high	10 Å²	10	25.9 Å²	25.9	10%	0.103	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.1	176.8	0	0	0	0	0	114.6	I739 F745	I739-G743 PolarHBondContact O-N 3.19Å; G743-F745 VanDerWaalsContact CA-CD2 3.48Å; G743-F745 WeakPolarHBondContact O-CD2 3.45Å; G743-F745 WeakPolarHBondContact O-CE2 3.48Å; G743-F745 PolarHBondContact O-N 2.99Å
744	D	84.5	Confident	91.7	Very high	106 Å²	106	25.9 Å²	25.9	57%	0.567	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-174.3	-167.3	28.9	0	0	0	112.9	L741 K742 Q746 S747	L741-D744 PolarHBondContact O-N 3.25Å; K742-D744 VanDerWaalsContact C-N 3.32Å; D744-Q746 VanDerWaalsContact C-N 3.28Å; D744-Q746 PolarHBondContact O-N 3.04Å; D744-S747 WeakPolarHBondContact O-CB 3.41Å; D744-S747 PolarHBondContact O-N 3.18Å; D744-S747 PolarHBondContact O-OG 3.11Å
745	F	84.8	Confident	91.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-80.6	-6.7	-173.7	-82.9	-76.9	0	0	0	113.3	L740 G743 S747 V748 F749 L874 F878 V954 F958	L740-F745 HydrophobicContact CD2-CB 4.01Å; L740-F745 PolarHBondContact O-N 3.44Å; L740-F745 VanDerWaalsContact O-N 3.07Å; G743-F745 VanDerWaalsContact CA-CD2 3.48Å; G743-F745 WeakPolarHBondContact O-CD2 3.45Å; G743-F745 WeakPolarHBondContact O-CE2 3.48Å; G743-F745 PolarHBondContact O-N 2.99Å; F745-S747 PolarHBondContact O-N 3.02Å; F745-V748 HydrophobicContact CD1-CB 3.78Å; F745-V748 HydrophobicContact CD1-CG1 4.11Å; F745-V748 HydrophobicContact CD1-CG2 3.83Å; F745-V748 HydrophobicContact CE1-CB 4.46Å; F745-V748 HydrophobicContact CE1-CG1 4.48Å; F745-V748 HydrophobicContact CE1-CG2 4.21Å; F745-V748 PolarHBondContact O-N 3.3Å; F745-F749 HydrophobicContact CB-CD2 4Å; F745-F749 HydrophobicContact CB-CE2 4.32Å; F745-F749 HydrophobicContact CD1-CD2 4.18Å; F745-F749 AromaticContact CD1-CE2 3.89Å; F745-F749 HydrophobicContact CD1-CE2 3.89Å; F745-F749 HydrophobicContact CG-CD2 4.46Å; F745-F749 HydrophobicContact CG-CE2 4.35Å; F745-F749 PolarHBondContact O-N 3.36Å; F745-L874 HydrophobicContact CD1-CD2 4.33Å; F745-L874 HydrophobicContact CE1-CD2 3.87Å; F745-F878 HydrophobicContact CD1-CE2 4.19Å; F745-F878 HydrophobicContact CD2-CE2 4.24Å; F745-F878 HydrophobicContact CD2-CZ 4.35Å; F745-F878 HydrophobicContact CE1-CE2 4.26Å; F745-F878 HydrophobicContact CE1-CZ 4.14Å; F745-F878 HydrophobicContact CE2-CE2 4.34Å; F745-F878 AromaticContact CE2-CZ 4Å; F745-F878 HydrophobicContact CE2-CZ 4Å; F745-F878 HydrophobicContact CG-CE2 4.22Å; F745-F878 HydrophobicContact CZ-CE2 4.34Å; F745-F878 AromaticContact CZ-CZ 3.88Å; F745-F878 HydrophobicContact CZ-CZ 3.88Å; F745-V954 HydrophobicContact CE1-CG1 4.12Å; F745-V954 HydrophobicContact CZ-CG1 3.69Å; F745-F958 HydrophobicContact CD2-CE2 4.5Å; F745-F958 AromaticContact CD2-CZ 3.78Å; F745-F958 HydrophobicContact CD2-CZ 3.78Å; F745-F958 HydrophobicContact CE2-CE1 4.35Å; F745-F958 AromaticContact CE2-CE2 3.61Å; F745-F958 HydrophobicContact CE2-CE2 3.61Å; F745-F958 AromaticContact CE2-CZ 3.26Å; F745-F958 HydrophobicContact CE2-CZ 3.26Å; F745-F958 HydrophobicContact CZ-CE2 4.18Å; F745-F958 HydrophobicContact CZ-CZ 4.24Å
746	Q	79.3	Confident	91.5	Very high	71 Å²	71	26 Å²	26	33%	0.332	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-60.4	-20.5	163.3	-68.6	-172.4	-73	0	0	111.9	M694 D744 V748	M694-Q746 PolarHBondContact O-NE2 3.4Å; M694-Q746 HydrophobicContact SD-CG 4.06Å; D744-Q746 VanDerWaalsContact C-N 3.28Å; D744-Q746 PolarHBondContact O-N 3.04Å; Q746-V748 VanDerWaalsContact C-N 3.35Å
747	S	82.6	Confident	91.5	Very high	43 Å²	43	26.6 Å²	26.6	30%	0.301	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-83.4	-10	172.8	80.2	0	0	0	0	113.4	D744 F745 R865	D744-S747 WeakPolarHBondContact O-CB 3.41Å; D744-S747 PolarHBondContact O-N 3.18Å; D744-S747 PolarHBondContact O-OG 3.11Å; F745-S747 PolarHBondContact O-N 3.02Å; S747-R865 PolarHBondContact O-NE 3.45Å; S747-R865 PolarHBondContact O-NH2 2.86Å; S747-R865 PolarHBondContact OG-NH2 2.93Å
748	V	89.1	Confident	91.5	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-49.5	-174.2	177.6	0	0	0	0	111	F745 Q746 T861 W864 R871	F745-V748 HydrophobicContact CD1-CB 3.78Å; F745-V748 HydrophobicContact CD1-CG1 4.11Å; F745-V748 HydrophobicContact CD1-CG2 3.83Å; F745-V748 HydrophobicContact CE1-CB 4.46Å; F745-V748 HydrophobicContact CE1-CG1 4.48Å; F745-V748 HydrophobicContact CE1-CG2 4.21Å; F745-V748 PolarHBondContact O-N 3.3Å; Q746-V748 VanDerWaalsContact C-N 3.35Å; V748-T861 HydrophobicContact CG2-CG2 3.95Å; V748-W864 HydrophobicContact CG1-CB 3.49Å; V748-W864 VanDerWaalsContact CG1-CB 3.49Å; V748-R871 WeakPolarHBondContact O-CD 3.17Å
749	F	93.5	Very high	91.5	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	14%	0.144	C	C	.	.	S	Bend	trans	-87.4	142	171.8	-66	-83.2	0	0	0	109.8	L740 F745 E753 C754 L757 R871 L874 F878	L740-F749 HydrophobicContact CD2-CD2 4.14Å; F745-F749 HydrophobicContact CB-CD2 4Å; F745-F749 HydrophobicContact CB-CE2 4.32Å; F745-F749 HydrophobicContact CD1-CD2 4.18Å; F745-F749 AromaticContact CD1-CE2 3.89Å; F745-F749 HydrophobicContact CD1-CE2 3.89Å; F745-F749 HydrophobicContact CG-CD2 4.46Å; F745-F749 HydrophobicContact CG-CE2 4.35Å; F745-F749 PolarHBondContact O-N 3.36Å; F749-E753 WeakPolarHBondContact CA-OE2 3.48Å; F749-E753 HydrophobicContact CB-CB 4.01Å; F749-E753 HydrophobicContact CD1-CB 3.96Å; F749-E753 HydrophobicContact CG-CB 4.45Å; F749-C754 VanDerWaalsContact CB-SG 3.59Å; F749-L757 HydrophobicContact CD1-CD1 4.33Å; F749-L757 HydrophobicContact CE1-CD1 4.22Å; F749-L757 HydrophobicContact CZ-CD1 4.41Å; F749-R871 HydrophobicContact CD1-CB 4.5Å; F749-R871 HydrophobicContact CE1-CB 4.16Å; F749-R871 WeakPolarHBondContact CE1-O 3.48Å; F749-L874 HydrophobicContact CE2-CD2 4Å; F749-L874 HydrophobicContact CE2-CG 4.46Å; F749-L874 HydrophobicContact CZ-CB 4.26Å; F749-L874 HydrophobicContact CZ-CD2 3.85Å; F749-L874 HydrophobicContact CZ-CG 3.97Å; F749-F878 HydrophobicContact CE2-CD2 4.14Å; F749-F878 AromaticContact CE2-CE2 3.88Å; F749-F878 HydrophobicContact CE2-CE2 3.88Å; F749-F878 HydrophobicContact CZ-CD2 4.27Å; F749-F878 HydrophobicContact CZ-CE2 4.3Å
750	T	92.3	Very high	91.6	Very high	69 Å²	69	26.6 Å²	26.6	42%	0.423	14%	0.144	S	C	.	.			trans	-66.7	159.3	168.6	62	0	0	0	0	110.9	L752 E753 C754	T750-L752 PolarHBondContact O-N 3.06Å; T750-E753 PolarHBondContact N-OE2 3.15Å; T750-E753 PolarHBondContact O-N 2.9Å; T750-E753 WeakPolarHBondContact OG1-CB 3.43Å; T750-E753 VanDerWaalsContact OG1-CD 3.26Å; T750-E753 VanDerWaalsContact OG1-CG 3.25Å; T750-E753 WeakPolarHBondContact OG1-CG 3.41Å; T750-E753 PolarHBondContact OG1-N 2.96Å; T750-E753 PolarHBondContact OG1-OE2 2.93Å; T750-C754 PolarHBondContact O-N 3.01Å
751	D	91.5	Very high	91.8	Very high	57 Å²	57	26.6 Å²	26.6	31%	0.305	14%	0.144	S	C	.	.	H	α-helix	trans	-56.3	-35.2	176.4	-71.3	-2.8	0	0	0	112.6	F696 S699 I700 L755	F696-D751 WeakPolarHBondContact CE1-O 3.21Å; S699-D751 WeakPolarHBondContact CB-OD2 3.34Å; S699-D751 PolarHBondContact OG-OD2 3.41Å; I700-D751 HydrophobicContact CD1-CB 4.21Å; D751-L755 VanDerWaalsContact O-CB 3.29Å; D751-L755 WeakPolarHBondContact O-CB 3.47Å; D751-L755 PolarHBondContact O-N 3.31Å
752	L	92.5	Very high	92.1	Very high	32 Å²	32	24.1 Å²	24.1	17%	0.168	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-39.2	175.9	-64	-178.6	0	0	0	112.4	I700 T750 A756 L815 E819 V823	I700-L752 HydrophobicContact CD1-CD2 4.01Å; I700-L752 HydrophobicContact CG1-CD2 4.32Å; T750-L752 PolarHBondContact O-N 3.06Å; L752-A756 WeakPolarHBondContact O-CB 3.43Å; L752-A756 PolarHBondContact O-N 3.32Å; L752-L815 HydrophobicContact CD2-CD1 4.31Å; L752-L815 HydrophobicContact CD2-CD2 3.8Å; L752-E819 HydrophobicContact CD1-CB 4.01Å; L752-E819 HydrophobicContact CD1-CG 3.89Å; L752-V823 HydrophobicContact CB-CG2 3.81Å; L752-V823 HydrophobicContact CD1-CG2 4.45Å; L752-V823 HydrophobicContact CD2-CG2 3.77Å; L752-V823 HydrophobicContact CG-CG2 4.21Å
753	E	94.8	Very high	92.5	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.089	12%	0.117	C	C	.	.	H	α-helix	trans	-68.6	-43	176.1	-72.8	161.7	159.9	0	0	111	F749 T750 L755 A756 L757 L826 R871	F749-E753 WeakPolarHBondContact CA-OE2 3.48Å; F749-E753 HydrophobicContact CB-CB 4.01Å; F749-E753 HydrophobicContact CD1-CB 3.96Å; F749-E753 HydrophobicContact CG-CB 4.45Å; T750-E753 PolarHBondContact N-OE2 3.15Å; T750-E753 PolarHBondContact O-N 2.9Å; T750-E753 WeakPolarHBondContact OG1-CB 3.43Å; T750-E753 VanDerWaalsContact OG1-CD 3.26Å; T750-E753 VanDerWaalsContact OG1-CG 3.25Å; T750-E753 WeakPolarHBondContact OG1-CG 3.41Å; T750-E753 PolarHBondContact OG1-N 2.96Å; T750-E753 PolarHBondContact OG1-OE2 2.93Å; E753-L755 PolarHBondContact O-N 3.09Å; E753-A756 PolarHBondContact O-N 2.75Å; E753-L757 WeakPolarHBondContact O-CG 3.35Å; E753-L757 PolarHBondContact O-N 3.04Å; E753-L826 HydrophobicContact CB-CD1 4.37Å; E753-L826 HydrophobicContact CG-CD1 3.61Å; E753-R871 IonicContact OE1-CZ 3.87Å; E753-R871 IonicContact OE1-NE 3.18Å; E753-R871 PolarHBondContact OE1-NE 3.44Å; E753-R871 IonicContact OE1-NH2 3.21Å; E753-R871 PolarHBondContact OE1-NH2 2.82Å; E753-R871 IonicContact OE2-NE 3.69Å; E753-R871 PolarHBondContact OE2-NE 3.03Å
754	C	95.1	Very high	93.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-43.7	173.4	-72.1	0	0	0	0	112	F696 L740 F749 T750 A756 L757 L758	F696-C754 HydrophobicContact CE1-CB 3.82Å; F696-C754 HydrophobicContact CZ-CB 3.8Å; L740-C754 HydrophobicContact CD1-CB 4.37Å; F749-C754 VanDerWaalsContact CB-SG 3.59Å; T750-C754 PolarHBondContact O-N 3.01Å; C754-A756 VanDerWaalsContact C-N 3.34Å; C754-L757 PolarHBondContact O-N 3.44Å; C754-L758 PolarHBondContact O-N 2.8Å; C754-L758 VanDerWaalsContact O-N 3.16Å
755	L	94.5	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-44.6	175.8	177.1	63.1	0	0	0	111.1	F691 F696 I700 F702 D751 E753 T759 F811 L812	F691-L755 HydrophobicContact CD1-CD1 4.08Å; F691-L755 HydrophobicContact CE1-CD1 3.67Å; F696-L755 HydrophobicContact CD1-CB 4.36Å; F696-L755 HydrophobicContact CD2-CD1 4Å; F696-L755 HydrophobicContact CE1-CB 4.07Å; F696-L755 HydrophobicContact CE2-CB 4.45Å; F696-L755 HydrophobicContact CE2-CD1 4.13Å; F696-L755 HydrophobicContact CG-CD1 4.36Å; F696-L755 HydrophobicContact CZ-CB 4.12Å; I700-L755 HydrophobicContact CD1-CB 4.26Å; I700-L755 HydrophobicContact CD1-CD2 3.75Å; F702-L755 HydrophobicContact CE2-CD1 3.91Å; D751-L755 VanDerWaalsContact O-CB 3.29Å; D751-L755 WeakPolarHBondContact O-CB 3.47Å; D751-L755 PolarHBondContact O-N 3.31Å; E753-L755 PolarHBondContact O-N 3.09Å; L755-T759 VanDerWaalsContact O-CB 3.22Å; L755-T759 WeakPolarHBondContact O-CB 3.5Å; L755-T759 PolarHBondContact O-N 2.85Å; L755-T759 PolarHBondContact O-OG1 2.93Å; L755-F811 HydrophobicContact CD1-CE2 4.2Å; L755-L812 HydrophobicContact CD2-CD2 3.71Å
756	A	96.6	Very high	94.4	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-45.5	178.3	0	0	0	0	0	112	L752 E753 C754 T759 A760 V823 L826 I827	L752-A756 WeakPolarHBondContact O-CB 3.43Å; L752-A756 PolarHBondContact O-N 3.32Å; E753-A756 PolarHBondContact O-N 2.75Å; C754-A756 VanDerWaalsContact C-N 3.34Å; A756-T759 PolarHBondContact O-N 3.1Å; A756-A760 WeakPolarHBondContact O-CB 3.28Å; A756-A760 PolarHBondContact O-N 3.01Å; A756-V823 HydrophobicContact CB-CG1 4.39Å; A756-L826 HydrophobicContact CB-CB 3.56Å; A756-L826 HydrophobicContact CB-CD1 4.37Å; A756-I827 HydrophobicContact CB-CG1 3.79Å
757	L	98.2	Very high	95.2	Very high	12 Å²	12	13.4 Å²	13.4	6%	0.063	8%	0.077	C	C	.	.	H	α-helix	trans	-62	-47.5	179.6	-72.9	170.1	0	0	0	112.4	M736 L740 F749 E753 C754 A760 C761 A830 M879	M736-L757 HydrophobicContact CE-CB 4.22Å; M736-L757 HydrophobicContact CE-CD2 4.08Å; M736-L757 HydrophobicContact CG-CB 4.24Å; M736-L757 HydrophobicContact SD-CB 4.11Å; M736-L757 HydrophobicContact SD-CD1 4.27Å; L740-L757 HydrophobicContact CD2-CD1 4.43Å; F749-L757 HydrophobicContact CD1-CD1 4.33Å; F749-L757 HydrophobicContact CE1-CD1 4.22Å; F749-L757 HydrophobicContact CZ-CD1 4.41Å; E753-L757 WeakPolarHBondContact O-CG 3.35Å; E753-L757 PolarHBondContact O-N 3.04Å; C754-L757 PolarHBondContact O-N 3.44Å; L757-A760 PolarHBondContact O-N 3.38Å; L757-C761 PolarHBondContact O-N 3.31Å; L757-C761 PolarHBondContact O-SG 3.43Å; L757-A830 HydrophobicContact CD2-CB 4.29Å; L757-M879 HydrophobicContact CD2-CG 4.01Å; L757-M879 HydrophobicContact CD2-SD 4.12Å
758	L	97.9	Very high	95.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.6	-38.5	178.6	-71.3	171.4	0	0	0	112.3	F691 M694 F696 T733 M736 F737 L740 C754 C761 L762	F691-L758 HydrophobicContact CE2-CB 3.93Å; F691-L758 HydrophobicContact CZ-CB 3.82Å; M694-L758 HydrophobicContact CG-CD1 3.88Å; F696-L758 HydrophobicContact CE2-CD1 3.78Å; F696-L758 HydrophobicContact CZ-CD1 4.02Å; T733-L758 HydrophobicContact CG2-CD2 3.94Å; M736-L758 HydrophobicContact CB-CD2 4.06Å; M736-L758 HydrophobicContact CG-CD2 3.85Å; M736-L758 HydrophobicContact CG-CG 4.43Å; F737-L758 HydrophobicContact CB-CD2 4Å; L740-L758 HydrophobicContact CD1-CD1 4.36Å; L740-L758 HydrophobicContact CD1-CG 4.19Å; C754-L758 PolarHBondContact O-N 2.8Å; C754-L758 VanDerWaalsContact O-N 3.16Å; L758-C761 PolarHBondContact O-N 2.85Å; L758-L762 PolarHBondContact O-N 2.93Å
759	T	97.9	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65	-41.6	175.6	-58.2	0	0	0	0	111.3	W710 L755 A756 L762 S763 F800 F811 I827	W710-T759 HydrophobicContact CH2-CG2 3.72Å; W710-T759 HydrophobicContact CZ2-CG2 3.7Å; L755-T759 VanDerWaalsContact O-CB 3.22Å; L755-T759 WeakPolarHBondContact O-CB 3.5Å; L755-T759 PolarHBondContact O-N 2.85Å; L755-T759 PolarHBondContact O-OG1 2.93Å; A756-T759 PolarHBondContact O-N 3.1Å; T759-L762 PolarHBondContact O-N 2.99Å; T759-S763 WeakPolarHBondContact O-CB 3.44Å; T759-S763 PolarHBondContact O-N 3.09Å; T759-S763 PolarHBondContact O-OG 3.02Å; T759-F800 HydrophobicContact CG2-CD2 4.32Å; T759-F800 HydrophobicContact CG2-CE2 3.49Å; T759-F800 VanDerWaalsContact CG2-CE2 3.49Å; T759-F800 HydrophobicContact CG2-CZ 4.03Å; T759-F811 HydrophobicContact CG2-CE1 4.45Å; T759-F811 HydrophobicContact CG2-CZ 3.76Å; T759-I827 HydrophobicContact CG2-CD1 3.67Å; T759-I827 HydrophobicContact CG2-CG1 4.36Å
760	A	98.7	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-44.4	175.6	0	0	0	0	0	111.4	A756 L757 L762 S763 H764 I827 A830 I831 M879	A756-A760 WeakPolarHBondContact O-CB 3.28Å; A756-A760 PolarHBondContact O-N 3.01Å; L757-A760 PolarHBondContact O-N 3.38Å; A760-L762 VanDerWaalsContact C-N 3.28Å; A760-L762 PolarHBondContact O-N 3.13Å; A760-S763 CarbonylContact O-C 3.57Å; A760-S763 PolarHBondContact O-N 3.16Å; A760-H764 WeakPolarHBondContact O-CB 3.47Å; A760-H764 PolarHBondContact O-N 3.22Å; A760-I827 HydrophobicContact CB-CG2 4.25Å; A760-A830 HydrophobicContact CB-CB 3.49Å; A760-A830 VanDerWaalsContact CB-CB 3.49Å; A760-I831 HydrophobicContact CB-CG1 3.93Å; A760-M879 HydrophobicContact CB-CE 4.02Å; A760-M879 HydrophobicContact CB-SD 4.34Å
761	C	98.8	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.9	-42.7	176.2	-68.5	0	0	0	0	112.4	V732 T733 M736 L757 L758 S763 H764	V732-C761 HydrophobicContact CG1-CB 3.99Å; T733-C761 HydrophobicContact CG2-CB 4.37Å; T733-C761 VanDerWaalsContact OG1-CB 3.25Å; T733-C761 WeakPolarHBondContact OG1-CB 3.49Å; M736-C761 VanDerWaalsContact CB-SG 3.55Å; L757-C761 PolarHBondContact O-N 3.31Å; L757-C761 PolarHBondContact O-SG 3.43Å; L758-C761 PolarHBondContact O-N 2.85Å; C761-S763 PolarHBondContact O-N 3.22Å; C761-H764 PolarHBondContact O-ND1 3.18Å
762	L	98.7	Very high	95.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.5	-21.1	176.3	-72.3	172	0	0	0	113.2	F691 W710 L711 V714 Y718 W726 T733 L758 T759 A760	F691-L762 HydrophobicContact CE2-CD1 3.81Å; F691-L762 HydrophobicContact CZ-CD1 3.93Å; W710-L762 HydrophobicContact CH2-CB 4.05Å; W710-L762 HydrophobicContact CH2-CD1 4.03Å; W710-L762 HydrophobicContact CZ3-CD1 3.82Å; L711-L762 HydrophobicContact CD1-CD1 3.7Å; L711-L762 HydrophobicContact CD1-CD2 4.3Å; V714-L762 WeakPolarHBondContact CG1-O 3.46Å; Y718-L762 VanDerWaalsContact CE2-O 3.23Å; Y718-L762 WeakPolarHBondContact CE2-O 3.46Å; Y718-L762 PolarHBondContact OH-O 3.19Å; W726-L762 HydrophobicContact CH2-CD2 3.82Å; W726-L762 HydrophobicContact CZ3-CD2 3.97Å; T733-L762 HydrophobicContact CG2-CD1 4.45Å; T733-L762 HydrophobicContact CG2-CD2 4.02Å; T733-L762 HydrophobicContact CG2-CG 3.88Å; T733-L762 VanDerWaalsContact OG1-CD2 3.3Å; T733-L762 WeakPolarHBondContact OG1-CD2 3.45Å; T733-L762 WeakPolarHBondContact OG1-CG 3.44Å; T733-L762 PolarHBondContact OG1-N 2.92Å; L758-L762 PolarHBondContact O-N 2.93Å; T759-L762 PolarHBondContact O-N 2.99Å; A760-L762 VanDerWaalsContact C-N 3.28Å; A760-L762 PolarHBondContact O-N 3.13Å
763	S	98.3	Very high	95.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-114.7	-8.5	-168	-50.2	0	0	0	0	115.2	W710 T759 A760 C761 D765 I766	W710-S763 WeakPolarHBondContact CZ2-OG 3.39Å; T759-S763 WeakPolarHBondContact O-CB 3.44Å; T759-S763 PolarHBondContact O-N 3.09Å; T759-S763 PolarHBondContact O-OG 3.02Å; A760-S763 CarbonylContact O-C 3.57Å; A760-S763 PolarHBondContact O-N 3.16Å; C761-S763 PolarHBondContact O-N 3.22Å; S763-D765 PolarHBondContact O-N 3.45Å; S763-I766 WeakPolarHBondContact O-CG1 3.34Å; S763-I766 PolarHBondContact O-N 2.78Å
764	H	98.2	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.9	-165.6	78.3	-76.2	0	0	0	114.6	H728 A760 C761 H796 I831 T834 D883	H728-H764 AromaticContact CD2-CE1 3.74Å; H728-H764 AromaticContact CD2-NE2 3.76Å; H728-H764 AromaticContact NE2-CE1 3.34Å; H728-H764 PolarHBondContact NE2-CE1 2.78Å; H728-H764 VanDerWaalsContact NE2-CE1 3.34Å; H728-H764 AromaticContact NE2-NE2 3.09Å; H728-H764 PolarHBondContact NE2-NE2 3.29Å; A760-H764 WeakPolarHBondContact O-CB 3.47Å; A760-H764 PolarHBondContact O-N 3.22Å; C761-H764 PolarHBondContact O-ND1 3.18Å; H764-H796 WeakPolarHBondContact O-CB 3.4Å; H764-H796 PolarHBondContact O-CD2 3.03Å; H764-I831 HydrophobicContact CB-CG1 4.17Å; H764-I831 HydrophobicContact CB-CG2 4.33Å; H764-T834 HydrophobicContact CB-CG2 3.96Å; H764-D883 IonicContact NE2-OD1 2.66Å
765	D	98	Very high	95.1	Very high	13 Å²	13	18.9 Å²	18.9	7%	0.07	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	17.8	-177.7	-91.5	-3.9	0	0	0	112.9	Y718 H724 H728 S763 D767 H768 H796	Y718-D765 HydrophobicContact CE1-CB 3.65Å; Y718-D765 WeakPolarHBondContact CE1-O 3.36Å; Y718-D765 PolarHBondContact OH-N 3.13Å; H724-D765 IonicContact CD2-OD2 2.96Å; H724-D765 PolarHBondContact CD2-OD2 2.63Å; H724-D765 IonicContact CG-OD2 2.79Å; H728-D765 IonicContact CD2-OD2 3.36Å; H728-D765 PolarHBondContact CD2-OD2 2.83Å; H728-D765 IonicContact NE2-OD2 3.76Å; H728-D765 PolarHBondContact NE2-OD2 2.92Å; S763-D765 PolarHBondContact O-N 3.45Å; D765-D767 PolarHBondContact O-N 3.33Å; D765-H768 HydrophobicContact CB-CB 4.32Å; D765-H768 WeakPolarHBondContact O-CB 3.17Å; D765-H768 PolarHBondContact O-N 2.79Å; D765-H796 IonicContact OD1-NE2 3.78Å
766	I	96.7	Very high	94.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.3	-179.2	-67.3	170.7	0	0	0	110.5	V714 N717 Y718 S763 H768 H796 Q799 I803	V714-I766 HydrophobicContact CB-CD1 4.35Å; V714-I766 HydrophobicContact CG1-CD1 3.76Å; V714-I766 HydrophobicContact CG1-CG1 4.05Å; V714-I766 HydrophobicContact CG2-CD1 3.99Å; N717-I766 HydrophobicContact CB-CG2 3.76Å; Y718-I766 HydrophobicContact CD2-CG1 4.21Å; Y718-I766 HydrophobicContact CE2-CG1 3.54Å; S763-I766 WeakPolarHBondContact O-CG1 3.34Å; S763-I766 PolarHBondContact O-N 2.78Å; I766-H768 PolarHBondContact O-N 2.62Å; I766-H796 PolarHBondContact O-CE1 3.38Å; I766-H796 PolarHBondContact O-ND1 3.2Å; I766-Q799 HydrophobicContact CB-CB 4.16Å; I766-Q799 HydrophobicContact CG2-CB 3.65Å; I766-Q799 HydrophobicContact CG2-CG 4.25Å; I766-I803 HydrophobicContact CD1-CD1 4.31Å; I766-I803 HydrophobicContact CG2-CD1 4.26Å
767	D	94.7	Very high	94.3	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.102	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	21.8	-175.3	-165	54.7	0	0	0	114.2	N717 R719 D765 R769 H795 Q799	N717-D767 PolarHBondContact O-N 3.29Å; R719-D767 IonicContact CZ-OD1 3.59Å; R719-D767 IonicContact NE-OD1 3.5Å; R719-D767 PolarHBondContact NE-OD1 2.83Å; R719-D767 IonicContact NH2-OD1 2.98Å; R719-D767 PolarHBondContact NH2-OD1 3.47Å; R719-D767 IonicContact NH2-OD2 3.78Å; D765-D767 PolarHBondContact O-N 3.33Å; D767-R769 WeakPolarHBondContact O-CG 3.49Å; D767-R769 PolarHBondContact O-N 3.49Å; D767-R769 IonicContact OD2-CZ 3.61Å; D767-R769 IonicContact OD2-NE 3.76Å; D767-R769 IonicContact OD2-NH2 3.13Å; D767-R769 PolarHBondContact OD2-NH2 3.32Å; D767-H795 IonicContact OD2-CE1 3.34Å; D767-H795 PolarHBondContact OD2-CE1 3.09Å; D767-H795 VanDerWaalsContact OD2-CE1 3.32Å; D767-H795 IonicContact OD2-NE2 2.99Å; D767-H795 PolarHBondContact OD2-NE2 2.93Å; D767-Q799 HydrophobicContact CB-CG 4.01Å
768	H	94.8	Very high	93.8	Very high	12 Å²	12	28 Å²	28	6%	0.056	13%	0.132	C	C	.	.			trans	-59.4	134.2	170.8	-168.3	-83.9	0	0	0	111.4	R719 H724 D765 I766 G770 H796 E904	R719-H768 WeakPolarHBondContact CD-O 3.15Å; H724-H768 HydrophobicContact CB-CB 4.1Å; H724-H768 WeakPolarHBondContact CB-ND1 3.22Å; H724-H768 AromaticContact CG-CE1 3.81Å; H724-H768 AromaticContact CG-ND1 3.87Å; H724-H768 AromaticContact ND1-CE1 3.53Å; H724-H768 AromaticContact ND1-ND1 3.94Å; D765-H768 HydrophobicContact CB-CB 4.32Å; D765-H768 WeakPolarHBondContact O-CB 3.17Å; D765-H768 PolarHBondContact O-N 2.79Å; I766-H768 PolarHBondContact O-N 2.62Å; H768-G770 PolarHBondContact ND1-N 2.54Å; H768-G770 VanDerWaalsContact ND1-N 3.1Å; H768-H796 AromaticContact CD2-NE2 3.82Å; H768-E904 IonicContact CE1-OE1 3.48Å
769	R	92	Very high	93.1	Very high	120 Å²	120	30.3 Å²	30.3	45%	0.453	15%	0.146	S	C	.	.			trans	-103.8	7.6	-166.9	-58.2	-175.7	178.9	-136.5	-7.4	114.3	D767 T771	D767-R769 WeakPolarHBondContact O-CG 3.49Å; D767-R769 PolarHBondContact O-N 3.49Å; D767-R769 IonicContact OD2-CZ 3.61Å; D767-R769 IonicContact OD2-NE 3.76Å; D767-R769 IonicContact OD2-NH2 3.13Å; D767-R769 PolarHBondContact OD2-NH2 3.32Å; R769-T771 VanDerWaalsContact C-N 3.3Å
770	G	92.6	Very high	92.2	Very high	8 Å²	8	36.3 Å²	36.3	8%	0.082	18%	0.175	C	C	.	.	S	Bend	trans	73.5	24.1	-174.3	0	0	0	0	0	112.9	H768	H768-G770 PolarHBondContact ND1-N 2.54Å; H768-G770 VanDerWaalsContact ND1-N 3.1Å
771	T	92.8	Very high	91.3	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.049	18%	0.179	C	C	.	.			trans	-140.8	141.6	-179	58.1	0	0	0	0	109.9	R769 F775 Q776 L792 Q908 L911	R769-T771 VanDerWaalsContact C-N 3.3Å; T771-F775 HydrophobicContact CG2-CD1 3.69Å; T771-F775 HydrophobicContact CG2-CE1 3.86Å; T771-F775 HydrophobicContact CG2-CG 4.14Å; T771-F775 HydrophobicContact CG2-CZ 4.42Å; T771-Q776 PolarHBondContact OG1-NE2 3.38Å; T771-L792 VanDerWaalsContact O-CD1 3.22Å; T771-L792 WeakPolarHBondContact O-CD1 3.31Å; T771-Q908 HydrophobicContact CG2-CG 4.27Å; T771-L911 HydrophobicContact CG2-CD1 4.35Å
772	D	90.8	Very high	90.4	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.214	21%	0.211	C	C	.	.			trans	-83.5	175.1	-177.9	69.6	28	0	0	0	115.1	Q774 F775 Q776 Q908 M924	D772-Q774 VanDerWaalsContact C-N 3.26Å; D772-Q774 PolarHBondContact O-N 2.72Å; D772-Q774 WeakPolarHBondContact OD1-CA 3.2Å; D772-Q774 WeakPolarHBondContact OD1-CB 3.43Å; D772-Q774 PolarHBondContact OD1-N 2.93Å; D772-F775 PolarHBondContact O-N 2.79Å; D772-F775 PolarHBondContact OD1-N 2.11Å; D772-Q776 WeakPolarHBondContact O-CG 3.41Å; D772-Q776 PolarHBondContact O-N 2.85Å; D772-Q908 VanDerWaalsContact CG-NE2 3.3Å; D772-Q908 PolarHBondContact OD1-NE2 3.44Å; D772-Q908 PolarHBondContact OD2-NE2 2.96Å; D772-Q908 VanDerWaalsContact OD2-NE2 3.11Å; D772-M924 WeakPolarHBondContact OD2-CE 3.47Å
773	N	89.7	Confident	89.3	Confident	27 Å²	27	42.7 Å²	42.7	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-34.7	176.5	-80.4	-29.2	0	0	0	113.2	Q776 I777 V791 L792 E793	N773-Q776 PolarHBondContact O-N 2.78Å; N773-I777 WeakPolarHBondContact O-CG1 3.27Å; N773-I777 PolarHBondContact O-N 3.44Å; N773-I777 VanDerWaalsContact O-N 3.14Å; N773-V791 WeakPolarHBondContact OD1-CB 3.35Å; N773-V791 PolarHBondContact OD1-N 2.99Å; N773-L792 VanDerWaalsContact OD1-CB 3.31Å; N773-L792 WeakPolarHBondContact OD1-CB 3.38Å; N773-L792 WeakPolarHBondContact OD1-CG 3.06Å; N773-L792 PolarHBondContact OD1-N 3.24Å; N773-E793 PolarHBondContact ND2-OE1 2.79Å; N773-E793 PolarHBondContact ND2-OE2 3.12Å
774	Q	88.1	Confident	87.9	Confident	126 Å²	126	43.8 Å²	43.8	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-69.2	-40.9	-179.3	-60.7	-174.7	8.8	0	0	111.2	D772 I777 K778	D772-Q774 VanDerWaalsContact C-N 3.26Å; D772-Q774 PolarHBondContact O-N 2.72Å; D772-Q774 WeakPolarHBondContact OD1-CA 3.2Å; D772-Q774 WeakPolarHBondContact OD1-CB 3.43Å; D772-Q774 PolarHBondContact OD1-N 2.93Å; Q774-I777 PolarHBondContact O-N 3.49Å; Q774-K778 WeakPolarHBondContact O-CB 3.42Å; Q774-K778 VanDerWaalsContact O-CG 3.31Å; Q774-K778 WeakPolarHBondContact O-CG 3.01Å; Q774-K778 PolarHBondContact O-N 3.43Å
775	F	89.4	Confident	86.7	Confident	9 Å²	9	51.1 Å²	51.1	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-44.1	174.1	-175.6	-89.9	0	0	0	111.6	T771 D772 I777 K778 T779 Q908 L911 E912	T771-F775 HydrophobicContact CG2-CD1 3.69Å; T771-F775 HydrophobicContact CG2-CE1 3.86Å; T771-F775 HydrophobicContact CG2-CG 4.14Å; T771-F775 HydrophobicContact CG2-CZ 4.42Å; D772-F775 PolarHBondContact O-N 2.79Å; D772-F775 PolarHBondContact OD1-N 2.11Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 PolarHBondContact O-N 3.06Å; F775-K778 PolarHBondContact O-N 2.83Å; F775-T779 HydrophobicContact CD1-CG2 4.16Å; F775-T779 HydrophobicContact CE1-CG2 3.76Å; F775-T779 HydrophobicContact CE2-CG2 4.17Å; F775-T779 HydrophobicContact CZ-CG2 3.77Å; F775-T779 WeakPolarHBondContact O-CB 3.5Å; F775-T779 WeakPolarHBondContact O-CG2 3.29Å; F775-T779 PolarHBondContact O-N 3.34Å; F775-T779 PolarHBondContact O-OG1 3.37Å; F775-Q908 HydrophobicContact CB-CG 4.43Å; F775-Q908 HydrophobicContact CD2-CG 3.98Å; F775-Q908 HydrophobicContact CG-CG 4.33Å; F775-L911 HydrophobicContact CE2-CB 4.13Å; F775-L911 HydrophobicContact CZ-CB 4.19Å; F775-E912 HydrophobicContact CD2-CG 3.56Å; F775-E912 HydrophobicContact CE2-CG 3.77Å
776	Q	88.6	Confident	85.5	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-37.9	178.2	-65.1	-55.4	-40	0	0	112.6	T771 D772 N773 T779 S781 A784 V791 L792	T771-Q776 PolarHBondContact OG1-NE2 3.38Å; D772-Q776 WeakPolarHBondContact O-CG 3.41Å; D772-Q776 PolarHBondContact O-N 2.85Å; N773-Q776 PolarHBondContact O-N 2.78Å; Q776-T779 PolarHBondContact O-OG1 3Å; Q776-S781 WeakPolarHBondContact O-CB 3.37Å; Q776-S781 PolarHBondContact O-N 3.47Å; Q776-S781 VanDerWaalsContact O-N 3.15Å; Q776-S781 PolarHBondContact O-OG 3.5Å; Q776-S781 PolarHBondContact OE1-OG 2.86Å; Q776-S781 VanDerWaalsContact OE1-OG 3.09Å; Q776-A784 WeakPolarHBondContact O-CB 3.29Å; Q776-V791 HydrophobicContact CB-CG1 4.32Å; Q776-L792 HydrophobicContact CG-CD2 4.06Å; Q776-L792 HydrophobicContact CG-CG 4.29Å
777	I	86	Confident	84.5	Confident	88 Å²	88	59.1 Å²	59.1	45%	0.451	30%	0.295	S	S	.	.	H	α-helix	trans	-72.1	-49.7	177.2	-67.8	166.4	0	0	0	110.9	N773 Q774 F775 T779 M780 A784 V791	N773-I777 WeakPolarHBondContact O-CG1 3.27Å; N773-I777 PolarHBondContact O-N 3.44Å; N773-I777 VanDerWaalsContact O-N 3.14Å; Q774-I777 PolarHBondContact O-N 3.49Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 PolarHBondContact O-N 3.06Å; I777-T779 PolarHBondContact O-N 2.87Å; I777-M780 PolarHBondContact O-N 3.3Å; I777-A784 HydrophobicContact CG1-CB 4.33Å; I777-V791 HydrophobicContact CG1-CG2 4.34Å
778	K	86.3	Confident	83.5	Confident	104 Å²	104	63.3 Å²	63.3	45%	0.452	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-33.8	-179.4	-73.8	172.9	-173.1	168.7	0	112.7	Q774 F775 M780 E912 L916	Q774-K778 WeakPolarHBondContact O-CB 3.42Å; Q774-K778 VanDerWaalsContact O-CG 3.31Å; Q774-K778 WeakPolarHBondContact O-CG 3.01Å; Q774-K778 PolarHBondContact O-N 3.43Å; F775-K778 PolarHBondContact O-N 2.83Å; K778-M780 VanDerWaalsContact C-N 3.35Å; K778-E912 IonicContact NZ-OE1 3.6Å; K778-E912 PolarHBondContact NZ-OE1 3.45Å; K778-L916 HydrophobicContact CB-CD1 3.96Å; K778-L916 HydrophobicContact CD-CD1 4.37Å
779	T	83.4	Confident	83	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.3	-179.7	55.2	0	0	0	0	114.1	F775 Q776 I777 S781 L916	F775-T779 HydrophobicContact CD1-CG2 4.16Å; F775-T779 HydrophobicContact CE1-CG2 3.76Å; F775-T779 HydrophobicContact CE2-CG2 4.17Å; F775-T779 HydrophobicContact CZ-CG2 3.77Å; F775-T779 WeakPolarHBondContact O-CB 3.5Å; F775-T779 WeakPolarHBondContact O-CG2 3.29Å; F775-T779 PolarHBondContact O-N 3.34Å; F775-T779 PolarHBondContact O-OG1 3.37Å; Q776-T779 PolarHBondContact O-OG1 3Å; I777-T779 PolarHBondContact O-N 2.87Å; T779-S781 PolarHBondContact O-N 3.12Å; T779-L916 HydrophobicContact CG2-CD1 4.18Å; T779-L916 HydrophobicContact CG2-CD2 4.13Å; T779-L916 HydrophobicContact CG2-CG 4.44Å
780	M	79.3	Confident	82.9	Confident	125 Å²	125	61.3 Å²	61.3	62%	0.616	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	-173.8	-67.4	-66.4	-69.5	0	0	112.3	I777 K778 K785	I777-M780 PolarHBondContact O-N 3.3Å; K778-M780 VanDerWaalsContact C-N 3.35Å; M780-K785 WeakPolarHBondContact O-CE 3.46Å
781	S	80.4	Confident	82.7	Confident	11 Å²	11	61 Å²	61	8%	0.077	32%	0.324	C	S	.	.			trans	-55.3	154.2	-178.8	68	0	0	0	0	111.2	Q776 T779 L783 A784 K785	Q776-S781 WeakPolarHBondContact O-CB 3.37Å; Q776-S781 PolarHBondContact O-N 3.47Å; Q776-S781 VanDerWaalsContact O-N 3.15Å; Q776-S781 PolarHBondContact O-OG 3.5Å; Q776-S781 PolarHBondContact OE1-OG 2.86Å; Q776-S781 VanDerWaalsContact OE1-OG 3.09Å; T779-S781 PolarHBondContact O-N 3.12Å; S781-L783 PolarHBondContact O-N 3.2Å; S781-L783 VanDerWaalsContact O-N 3.11Å; S781-A784 PolarHBondContact O-N 2.68Å; S781-A784 VanDerWaalsContact O-N 3.07Å; S781-A784 WeakPolarHBondContact OG-CB 3.31Å; S781-A784 PolarHBondContact OG-N 3.35Å; S781-A784 VanDerWaalsContact OG-N 3.12Å; S781-K785 PolarHBondContact O-N 3.35Å
782	P	80	Confident	82.8	Confident	102 Å²	102	60.8 Å²	60.8	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-53.1	-31.1	172	-27.1	35.6	0	0	0	113.3	K785 L786	P782-K785 PolarHBondContact O-N 3.47Å; P782-L786 WeakPolarHBondContact O-CG 3.47Å; P782-L786 PolarHBondContact O-N 2.97Å
783	L	74.8	Confident	83.1	Confident	22 Å²	22	59.9 Å²	59.9	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-44.2	176.4	-64.6	177.9	0	0	0	112.1	S781 K785 L786 Y787 V791 L792 H795	S781-L783 PolarHBondContact O-N 3.2Å; S781-L783 VanDerWaalsContact O-N 3.11Å; L783-K785 PolarHBondContact O-N 2.96Å; L783-L786 PolarHBondContact O-N 2.7Å; L783-Y787 PolarHBondContact O-N 3.39Å; L783-V791 HydrophobicContact CB-CG1 3.64Å; L783-L792 HydrophobicContact CD1-CD2 4.47Å; L783-H795 HydrophobicContact CD1-CB 4.27Å; L783-H795 HydrophobicContact CD2-CB 4.1Å
784	A	69.5	Low	83.2	Confident	23 Å²	23	60.8 Å²	60.8	19%	0.19	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-19.9	177	0	0	0	0	0	113.3	Q776 I777 S781 Y787	Q776-A784 WeakPolarHBondContact O-CB 3.29Å; I777-A784 HydrophobicContact CG1-CB 4.33Å; S781-A784 PolarHBondContact O-N 2.68Å; S781-A784 VanDerWaalsContact O-N 3.07Å; S781-A784 WeakPolarHBondContact OG-CB 3.31Å; S781-A784 PolarHBondContact OG-N 3.35Å; S781-A784 VanDerWaalsContact OG-N 3.12Å; A784-Y787 CarbonylContact C-O 3.57Å; A784-Y787 VanDerWaalsContact O-O 3.06Å
785	K	73.8	Confident	83.5	Confident	154 Å²	154	55.4 Å²	55.4	67%	0.67	30%	0.296	S	S	*	.	H	α-helix	trans	-76.9	-26.5	170.4	-65.8	179.1	-175.7	177.6	0	112.7	M780 S781 P782 L783	M780-K785 WeakPolarHBondContact O-CE 3.46Å; S781-K785 PolarHBondContact O-N 3.35Å; P782-K785 PolarHBondContact O-N 3.47Å; L783-K785 PolarHBondContact O-N 2.96Å
786	L	70.9	Confident	83.9	Confident	120 Å²	120	55 Å²	55	63%	0.628	29%	0.294	S	S	*	.	H	α-helix	trans	-87.4	-37.2	179.6	-68.8	171.2	0	0	0	112.2	P782 L783	P782-L786 WeakPolarHBondContact O-CG 3.47Å; P782-L786 PolarHBondContact O-N 2.97Å; L783-L786 PolarHBondContact O-N 2.7Å
787	Y	76.8	Confident	84.3	Confident	61 Å²	61	54.6 Å²	54.6	24%	0.239	29%	0.292	C	S	.	.			trans	-126.4	132	-176.7	-54.1	-61.5	0	0	0	110.5	L783 A784 V791 H794 N798	L783-Y787 PolarHBondContact O-N 3.39Å; A784-Y787 CarbonylContact C-O 3.57Å; A784-Y787 VanDerWaalsContact O-O 3.06Å; Y787-V791 WeakPolarHBondContact O-CG2 3.46Å; Y787-H794 HydrophobicContact CD1-CB 3.7Å; Y787-H794 AromaticContact CD1-CG 3.76Å; Y787-H794 HydrophobicContact CD2-CB 3.69Å; Y787-H794 HydrophobicContact CE1-CB 3.95Å; Y787-H794 HydrophobicContact CE2-CB 3.92Å; Y787-H794 HydrophobicContact CG-CB 3.62Å; Y787-N798 VanDerWaalsContact CZ-ND2 3.33Å; Y787-N798 PolarHBondContact OH-ND2 3.37Å
788	S	73.7	Confident	84.6	Confident	106 Å²	106	53.1 Å²	53.1	74%	0.741	29%	0.285	S	S	*	.	S	Bend	trans	-89.3	-25	177.6	54.2	0	0	0	0	113.3
789	T	84.5	Confident	84.9	Confident	83 Å²	83	49.8 Å²	49.8	51%	0.509	27%	0.271	S	S	.	.	S	Bend	trans	-135.5	158.2	178.6	65.5	0	0	0	0	110.1	V791 H794	T789-V791 PolarHBondContact O-N 2.64Å; T789-V791 VanDerWaalsContact O-N 3.13Å; T789-H794 PolarHBondContact O-CD2 3.39Å
790	S	89.3	Confident	85.5	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.049	26%	0.257	C	S	.	.	S	Bend	trans	42.8	48.7	-179	-30.1	0	0	0	0	112.5	L792 E793 H794 D835	S790-L792 VanDerWaalsContact C-N 3.33Å; S790-L792 PolarHBondContact O-N 3.12Å; S790-E793 WeakPolarHBondContact CA-OE2 3.36Å; S790-E793 WeakPolarHBondContact CB-OE2 3.4Å; S790-E793 PolarHBondContact O-N 3.1Å; S790-H794 PolarHBondContact O-CD2 2.95Å; S790-H794 PolarHBondContact O-N 3.4Å; S790-D835 PolarHBondContact OG-OD2 3.05Å
791	V	89	Confident	86.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-46.9	-163.8	177.5	0	0	0	0	111.2	N773 Q776 I777 L783 Y787 T789 H795	N773-V791 WeakPolarHBondContact OD1-CB 3.35Å; N773-V791 PolarHBondContact OD1-N 2.99Å; Q776-V791 HydrophobicContact CB-CG1 4.32Å; I777-V791 HydrophobicContact CG1-CG2 4.34Å; L783-V791 HydrophobicContact CB-CG1 3.64Å; Y787-V791 WeakPolarHBondContact O-CG2 3.46Å; T789-V791 PolarHBondContact O-N 2.64Å; T789-V791 VanDerWaalsContact O-N 3.13Å; V791-H795 PolarHBondContact O-N 3.4Å
792	L	94.5	Very high	86.7	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-72	-41.6	178.9	-70.8	171.2	0	0	0	111.3	T771 N773 Q776 L783 S790 H794 H795 H796	T771-L792 VanDerWaalsContact O-CD1 3.22Å; T771-L792 WeakPolarHBondContact O-CD1 3.31Å; N773-L792 VanDerWaalsContact OD1-CB 3.31Å; N773-L792 WeakPolarHBondContact OD1-CB 3.38Å; N773-L792 WeakPolarHBondContact OD1-CG 3.06Å; N773-L792 PolarHBondContact OD1-N 3.24Å; Q776-L792 HydrophobicContact CG-CD2 4.06Å; Q776-L792 HydrophobicContact CG-CG 4.29Å; L783-L792 HydrophobicContact CD1-CD2 4.47Å; S790-L792 VanDerWaalsContact C-N 3.33Å; S790-L792 PolarHBondContact O-N 3.12Å; L792-H794 VanDerWaalsContact C-N 3.33Å; L792-H794 PolarHBondContact O-N 3.25Å; L792-H795 CarbonylContact O-C 3.52Å; L792-H795 WeakPolarHBondContact O-CA 3.33Å; L792-H795 VanDerWaalsContact O-CB 3.26Å; L792-H795 WeakPolarHBondContact O-CB 3.21Å; L792-H795 PolarHBondContact O-N 3Å; L792-H796 PolarHBondContact O-CD2 3.44Å; L792-H796 PolarHBondContact O-N 2.82Å; L792-H796 PolarHBondContact O-NE2 3.48Å
793	E	96.3	Very high	87.4	Confident	20 Å²	20	39.9 Å²	39.9	9%	0.093	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-36.6	-177.5	-60.3	74.5	-166.3	0	0	111.5	N773 S790 F797 I831 L832 D835	N773-E793 PolarHBondContact ND2-OE1 2.79Å; N773-E793 PolarHBondContact ND2-OE2 3.12Å; S790-E793 WeakPolarHBondContact CA-OE2 3.36Å; S790-E793 WeakPolarHBondContact CB-OE2 3.4Å; S790-E793 PolarHBondContact O-N 3.1Å; E793-F797 PolarHBondContact O-N 3.04Å; E793-I831 HydrophobicContact CB-CG2 4.34Å; E793-I831 WeakPolarHBondContact O-CG2 3.15Å; E793-L832 HydrophobicContact CB-CD2 3.82Å; E793-D835 HydrophobicContact CG-CB 4Å
794	H	93.1	Very high	88.4	Confident	47 Å²	47	38.9 Å²	38.9	22%	0.218	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-42.9	168.2	-86.8	-77.1	0	0	0	111.9	Y787 T789 S790 L792 F797 N798	Y787-H794 HydrophobicContact CD1-CB 3.7Å; Y787-H794 AromaticContact CD1-CG 3.76Å; Y787-H794 HydrophobicContact CD2-CB 3.69Å; Y787-H794 HydrophobicContact CE1-CB 3.95Å; Y787-H794 HydrophobicContact CE2-CB 3.92Å; Y787-H794 HydrophobicContact CG-CB 3.62Å; T789-H794 PolarHBondContact O-CD2 3.39Å; S790-H794 PolarHBondContact O-CD2 2.95Å; S790-H794 PolarHBondContact O-N 3.4Å; L792-H794 VanDerWaalsContact C-N 3.33Å; L792-H794 PolarHBondContact O-N 3.25Å; H794-F797 PolarHBondContact O-N 3.14Å; H794-N798 PolarHBondContact O-N 3.13Å; H794-N798 PolarHBondContact O-ND2 3.34Å
795	H	94.4	Very high	89.3	Confident	13 Å²	13	41.8 Å²	41.8	6%	0.06	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-48	175.4	174.5	67.1	0	0	0	111.8	D767 L783 V791 L792 F797 N798 Q799	D767-H795 IonicContact OD2-CE1 3.34Å; D767-H795 PolarHBondContact OD2-CE1 3.09Å; D767-H795 VanDerWaalsContact OD2-CE1 3.32Å; D767-H795 IonicContact OD2-NE2 2.99Å; D767-H795 PolarHBondContact OD2-NE2 2.93Å; L783-H795 HydrophobicContact CD1-CB 4.27Å; L783-H795 HydrophobicContact CD2-CB 4.1Å; V791-H795 PolarHBondContact O-N 3.4Å; L792-H795 CarbonylContact O-C 3.52Å; L792-H795 WeakPolarHBondContact O-CA 3.33Å; L792-H795 VanDerWaalsContact O-CB 3.26Å; L792-H795 WeakPolarHBondContact O-CB 3.21Å; L792-H795 PolarHBondContact O-N 3Å; H795-F797 VanDerWaalsContact C-N 3.35Å; H795-F797 PolarHBondContact O-N 3.39Å; H795-N798 PolarHBondContact O-N 2.82Å; H795-N798 VanDerWaalsContact O-N 3.07Å; H795-Q799 PolarHBondContact CE1-NE2 3.19Å; H795-Q799 WeakPolarHBondContact O-CG 3.22Å; H795-Q799 PolarHBondContact O-N 3.34Å
796	H	96.7	Very high	90.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-43.4	178	-58.1	-38.2	0	0	0	111.8	H764 D765 I766 H768 L792 N798 Q799 F800 I831	H764-H796 WeakPolarHBondContact O-CB 3.4Å; H764-H796 PolarHBondContact O-CD2 3.03Å; D765-H796 IonicContact OD1-NE2 3.78Å; I766-H796 PolarHBondContact O-CE1 3.38Å; I766-H796 PolarHBondContact O-ND1 3.2Å; H768-H796 AromaticContact CD2-NE2 3.82Å; L792-H796 PolarHBondContact O-CD2 3.44Å; L792-H796 PolarHBondContact O-N 2.82Å; L792-H796 PolarHBondContact O-NE2 3.48Å; H796-N798 PolarHBondContact O-N 2.86Å; H796-Q799 PolarHBondContact O-N 2.94Å; H796-F800 PolarHBondContact O-N 3.11Å; H796-I831 HydrophobicContact CB-CG2 4.06Å
797	F	96.8	Very high	90.9	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-39.3	173.5	175.6	-102.2	0	0	0	112.9	E793 H794 H795 F800 M801 V824 I827 R828 I831	E793-F797 PolarHBondContact O-N 3.04Å; H794-F797 PolarHBondContact O-N 3.14Å; H795-F797 VanDerWaalsContact C-N 3.35Å; H795-F797 PolarHBondContact O-N 3.39Å; F797-F800 HydrophobicContact CD2-CD1 4.15Å; F797-F800 HydrophobicContact CE2-CD1 4.07Å; F797-F800 HydrophobicContact CE2-CE1 4.4Å; F797-F800 WeakPolarHBondContact O-CB 3.46Å; F797-F800 PolarHBondContact O-N 3.31Å; F797-M801 HydrophobicContact CD1-CG 4.33Å; F797-M801 HydrophobicContact CE1-CG 3.72Å; F797-M801 HydrophobicContact CE2-CG 4.06Å; F797-M801 HydrophobicContact CE2-SD 4.21Å; F797-M801 HydrophobicContact CZ-CG 3.57Å; F797-M801 HydrophobicContact CZ-SD 3.84Å; F797-M801 WeakPolarHBondContact O-CG 3.49Å; F797-M801 PolarHBondContact O-N 2.67Å; F797-V824 HydrophobicContact CE2-CG1 4.24Å; F797-V824 HydrophobicContact CZ-CG1 3.84Å; F797-I827 HydrophobicContact CD2-CG2 4.37Å; F797-I827 HydrophobicContact CE2-CG2 4.43Å; F797-R828 HydrophobicContact CD1-CB 4.45Å; F797-R828 HydrophobicContact CD1-CG 3.99Å; F797-R828 VanDerWaalsContact CD2-CA 3.49Å; F797-R828 HydrophobicContact CD2-CB 3.73Å; F797-R828 HydrophobicContact CD2-CG 4.05Å; F797-R828 HydrophobicContact CE1-CB 4.27Å; F797-R828 HydrophobicContact CE1-CG 4.05Å; F797-R828 HydrophobicContact CE2-CB 3.5Å; F797-R828 VanDerWaalsContact CE2-CB 3.5Å; F797-R828 HydrophobicContact CE2-CG 4.1Å; F797-R828 HydrophobicContact CG-CB 4.21Å; F797-R828 HydrophobicContact CG-CG 3.99Å; F797-R828 HydrophobicContact CZ-CB 3.79Å; F797-R828 HydrophobicContact CZ-CG 4.1Å; F797-I831 HydrophobicContact CB-CD1 4.26Å; F797-I831 HydrophobicContact CB-CG2 4.41Å; F797-I831 HydrophobicContact CD2-CD1 4.29Å
798	N	92.2	Very high	91.6	Very high	56 Å²	56	37.7 Å²	37.7	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-69.3	-36	176.2	-69.1	-45.4	0	0	0	112.6	Y787 H794 H795 H796 F800 M801 M802	Y787-N798 VanDerWaalsContact CZ-ND2 3.33Å; Y787-N798 PolarHBondContact OH-ND2 3.37Å; H794-N798 PolarHBondContact O-N 3.13Å; H794-N798 PolarHBondContact O-ND2 3.34Å; H795-N798 PolarHBondContact O-N 2.82Å; H795-N798 VanDerWaalsContact O-N 3.07Å; H796-N798 PolarHBondContact O-N 2.86Å; N798-F800 VanDerWaalsContact C-N 3.31Å; N798-M801 PolarHBondContact O-N 2.91Å; N798-M802 WeakPolarHBondContact O-CB 2.92Å; N798-M802 PolarHBondContact O-N 2.85Å
799	Q	93.7	Very high	92.6	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.164	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-41.9	172.1	-66.6	-54.9	-48.5	0	0	110.9	I766 D767 H795 H796 M802 I803	I766-Q799 HydrophobicContact CB-CB 4.16Å; I766-Q799 HydrophobicContact CG2-CB 3.65Å; I766-Q799 HydrophobicContact CG2-CG 4.25Å; D767-Q799 HydrophobicContact CB-CG 4.01Å; H795-Q799 PolarHBondContact CE1-NE2 3.19Å; H795-Q799 WeakPolarHBondContact O-CG 3.22Å; H795-Q799 PolarHBondContact O-N 3.34Å; H796-Q799 PolarHBondContact O-N 2.94Å; Q799-M802 PolarHBondContact O-N 3.24Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.23Å; Q799-I803 PolarHBondContact O-N 3.03Å
800	F	96.4	Very high	93.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56	-51	171.3	163.3	-100.5	0	0	0	111.8	W710 T759 H796 F797 N798 M802 I803 L804 I827	W710-F800 AromaticContact CZ2-CD2 3.85Å; W710-F800 HydrophobicContact CZ2-CD2 3.85Å; W710-F800 AromaticContact CZ2-CE2 3.74Å; W710-F800 HydrophobicContact CZ2-CE2 3.74Å; W710-F800 AromaticContact NE1-CE2 3.88Å; T759-F800 HydrophobicContact CG2-CD2 4.32Å; T759-F800 HydrophobicContact CG2-CE2 3.49Å; T759-F800 VanDerWaalsContact CG2-CE2 3.49Å; T759-F800 HydrophobicContact CG2-CZ 4.03Å; H796-F800 PolarHBondContact O-N 3.11Å; F797-F800 HydrophobicContact CD2-CD1 4.15Å; F797-F800 HydrophobicContact CE2-CD1 4.07Å; F797-F800 HydrophobicContact CE2-CE1 4.4Å; F797-F800 WeakPolarHBondContact O-CB 3.46Å; F797-F800 PolarHBondContact O-N 3.31Å; N798-F800 VanDerWaalsContact C-N 3.31Å; F800-M802 PolarHBondContact O-N 3.4Å; F800-I803 PolarHBondContact O-N 3.28Å; F800-L804 HydrophobicContact CE1-CD2 4.09Å; F800-L804 HydrophobicContact CE2-CB 4.47Å; F800-L804 HydrophobicContact CZ-CB 4.4Å; F800-L804 HydrophobicContact CZ-CD2 3.77Å; F800-L804 HydrophobicContact CZ-CG 4.46Å; F800-L804 WeakPolarHBondContact O-CB 3.34Å; F800-L804 PolarHBondContact O-N 2.88Å; F800-I827 HydrophobicContact CD1-CG2 3.93Å; F800-I827 HydrophobicContact CE1-CB 4.4Å; F800-I827 HydrophobicContact CE1-CD1 3.95Å; F800-I827 HydrophobicContact CE1-CG2 3.79Å; F800-I827 HydrophobicContact CE2-CD1 4.27Å; F800-I827 HydrophobicContact CG-CG2 4.37Å; F800-I827 HydrophobicContact CZ-CD1 3.5Å; F800-I827 HydrophobicContact CZ-CG2 4.11Å
801	M	94.1	Very high	93.3	Very high	43 Å²	43	30.6 Å²	30.6	21%	0.212	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-44.7	179.6	-73.8	-57.1	-57	0	0	111.9	F797 N798 I803 L804 S805 V824	F797-M801 HydrophobicContact CD1-CG 4.33Å; F797-M801 HydrophobicContact CE1-CG 3.72Å; F797-M801 HydrophobicContact CE2-CG 4.06Å; F797-M801 HydrophobicContact CE2-SD 4.21Å; F797-M801 HydrophobicContact CZ-CG 3.57Å; F797-M801 HydrophobicContact CZ-SD 3.84Å; F797-M801 WeakPolarHBondContact O-CG 3.49Å; F797-M801 PolarHBondContact O-N 2.67Å; N798-M801 PolarHBondContact O-N 2.91Å; M801-I803 PolarHBondContact O-N 2.98Å; M801-L804 PolarHBondContact O-N 2.79Å; M801-S805 WeakPolarHBondContact O-CB 3.32Å; M801-S805 PolarHBondContact O-N 2.83Å; M801-S805 PolarHBondContact O-OG 2.72Å; M801-S805 VanDerWaalsContact O-OG 3.09Å; M801-V824 HydrophobicContact CE-CG1 4.28Å; M801-V824 HydrophobicContact SD-CG1 3.65Å; M801-V824 HydrophobicContact SD-CG2 4.36Å
802	M	90.8	Very high	93.4	Very high	36 Å²	36	30.6 Å²	30.6	18%	0.177	16%	0.162	C	C	.	.	H	α-helix	trans	-54.6	-52.1	175	-179.8	-165.9	68.6	0	0	110.3	M638 A645 N798 Q799 F800 S805 I806	M638-M802 HydrophobicContact SD-CG 4.04Å; M638-M802 HydrophobicContact SD-SD 3.88Å; A645-M802 HydrophobicContact CB-CE 4.06Å; N798-M802 WeakPolarHBondContact O-CB 2.92Å; N798-M802 PolarHBondContact O-N 2.85Å; Q799-M802 PolarHBondContact O-N 3.24Å; F800-M802 PolarHBondContact O-N 3.4Å; M802-S805 PolarHBondContact O-N 3.18Å; M802-I806 VanDerWaalsContact O-CG1 3.3Å; M802-I806 WeakPolarHBondContact O-CG1 3.32Å
803	I	94.7	Very high	93.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-42.2	-177.7	-65.8	167.8	0	0	0	111.5	V714 N717 I766 Q799 F800 M801 I806 N809	V714-I803 HydrophobicContact CG2-CD1 4.41Å; V714-I803 HydrophobicContact CG2-CG2 4.31Å; N717-I803 HydrophobicContact CB-CD1 3.85Å; I766-I803 HydrophobicContact CD1-CD1 4.31Å; I766-I803 HydrophobicContact CG2-CD1 4.26Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.23Å; Q799-I803 PolarHBondContact O-N 3.03Å; F800-I803 PolarHBondContact O-N 3.28Å; M801-I803 PolarHBondContact O-N 2.98Å; I803-I806 PolarHBondContact O-N 3.12Å; I803-N809 WeakPolarHBondContact O-CB 3.42Å; I803-N809 PolarHBondContact O-ND2 2.84Å
804	L	94.5	Very high	93	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-41	180	-176.8	72.9	0	0	0	111.9	F800 M801 I806 N810 F811 L812 Y820	F800-L804 HydrophobicContact CE1-CD2 4.09Å; F800-L804 HydrophobicContact CE2-CB 4.47Å; F800-L804 HydrophobicContact CZ-CB 4.4Å; F800-L804 HydrophobicContact CZ-CD2 3.77Å; F800-L804 HydrophobicContact CZ-CG 4.46Å; F800-L804 WeakPolarHBondContact O-CB 3.34Å; F800-L804 PolarHBondContact O-N 2.88Å; M801-L804 PolarHBondContact O-N 2.79Å; L804-I806 PolarHBondContact O-N 3.34Å; L804-N810 WeakPolarHBondContact O-CA 3.07Å; L804-N810 WeakPolarHBondContact O-CB 3.34Å; L804-N810 PolarHBondContact O-N 2.8Å; L804-F811 HydrophobicContact CD1-CD1 3.83Å; L804-F811 HydrophobicContact CD1-CE1 3.71Å; L804-L812 HydrophobicContact CD1-CD1 4.38Å; L804-L812 HydrophobicContact CD1-CG 4.25Å; L804-L812 HydrophobicContact CD2-CD1 3.94Å; L804-Y820 HydrophobicContact CD2-CE2 4.41Å; L804-Y820 WeakPolarHBondContact CD2-OH 3.24Å
805	S	90.1	Very high	92.9	Very high	84 Å²	84	35.6 Å²	35.6	59%	0.587	20%	0.195	S	C	*	.	H	α-helix	trans	-70.3	-12.5	-178.4	-68.1	0	0	0	0	114	M801 M802	M801-S805 WeakPolarHBondContact O-CB 3.32Å; M801-S805 PolarHBondContact O-N 2.83Å; M801-S805 PolarHBondContact O-OG 2.72Å; M801-S805 VanDerWaalsContact O-OG 3.09Å; M802-S805 PolarHBondContact O-N 3.18Å
806	I	90.3	Very high	92.8	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	21%	0.213	C	C	.	.	S	Bend	trans	-70.5	139.8	179.1	-59.9	164.7	0	0	0	110.4	T646 M802 I803 L804 G808 N809	T646-I806 HydrophobicContact CG2-CG2 4.23Å; T646-I806 WeakPolarHBondContact OG1-CD1 3.45Å; T646-I806 WeakPolarHBondContact OG1-CG2 3.48Å; M802-I806 VanDerWaalsContact O-CG1 3.3Å; M802-I806 WeakPolarHBondContact O-CG1 3.32Å; I803-I806 PolarHBondContact O-N 3.12Å; L804-I806 PolarHBondContact O-N 3.34Å; I806-G808 PolarHBondContact O-N 2.98Å; I806-G808 VanDerWaalsContact O-N 3.15Å; I806-N809 HydrophobicContact CB-CB 4.44Å; I806-N809 WeakPolarHBondContact O-CB 3.41Å; I806-N809 PolarHBondContact O-N 2.71Å
807	K	88	Confident	92.7	Very high	194 Å²	194	49 Å²	49	84%	0.843	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	121	179.2	-173.6	175.4	-178.4	174.2	0	111.7	N809	K807-N809 VanDerWaalsContact C-N 3.35Å
808	G	91.4	Very high	92.6	Very high	30 Å²	30	52.7 Å²	52.7	31%	0.309	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	2.9	179.5	0	0	0	0	0	115.1	S706 R709 I806	S706-G808 VanDerWaalsContact CA-O 3.27Å; S706-G808 WeakPolarHBondContact CA-O 3.36Å; S706-G808 WeakPolarHBondContact CB-O 3.42Å; S706-G808 PolarHBondContact OG-O 3.5Å; R709-G808 WeakPolarHBondContact CD-O 3.42Å; I806-G808 PolarHBondContact O-N 2.98Å; I806-G808 VanDerWaalsContact O-N 3.15Å
809	N	94.2	Very high	92.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-19.7	168.1	-75.2	-9.2	0	0	0	112.3	R709 W710 S713 I803 I806 K807 F811	R709-N809 WeakPolarHBondContact CD-OD1 3.42Å; R709-N809 WeakPolarHBondContact CG-OD1 3.48Å; W710-N809 HydrophobicContact CB-CB 4.19Å; W710-N809 WeakPolarHBondContact CB-O 3.47Å; S713-N809 PolarHBondContact OG-ND2 3.33Å; I803-N809 WeakPolarHBondContact O-CB 3.42Å; I803-N809 PolarHBondContact O-ND2 2.84Å; I806-N809 HydrophobicContact CB-CB 4.44Å; I806-N809 WeakPolarHBondContact O-CB 3.41Å; I806-N809 PolarHBondContact O-N 2.71Å; K807-N809 VanDerWaalsContact C-N 3.35Å; N809-F811 VanDerWaalsContact C-N 3.29Å; N809-F811 PolarHBondContact O-N 3.19Å
810	N	93.9	Very high	92.7	Very high	44 Å²	44	54 Å²	54	24%	0.235	28%	0.28	C	S	.	.			trans	-68.8	84.7	-178.2	-172.4	4	0	0	0	111.7	L804 L812 C813	L804-N810 WeakPolarHBondContact O-CA 3.07Å; L804-N810 WeakPolarHBondContact O-CB 3.34Å; L804-N810 PolarHBondContact O-N 2.8Å; N810-L812 PolarHBondContact O-N 3.23Å; N810-L812 WeakPolarHBondContact OD1-CA 3.24Å; N810-L812 WeakPolarHBondContact OD1-CB 3.47Å; N810-L812 PolarHBondContact OD1-N 3.33Å; N810-L812 VanDerWaalsContact OD1-N 3.11Å; N810-C813 HydrophobicContact CB-CB 4.49Å; N810-C813 VanDerWaalsContact O-CB 3.22Å; N810-C813 WeakPolarHBondContact O-CB 3.48Å; N810-C813 PolarHBondContact O-N 3.41Å; N810-C813 PolarHBondContact O-SG 2.91Å; N810-C813 VanDerWaalsContact O-SG 3.37Å; N810-C813 PolarHBondContact OD1-N 3.45Å
811	F	93.5	Very high	92.6	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.013	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.1	176.1	70.6	-89.7	0	0	0	112.8	F702 F707 W710 L755 T759 L804 N809 C813	F702-F811 HydrophobicContact CD2-CD2 4.25Å; F702-F811 AromaticContact CE2-CD2 3.38Å; F702-F811 HydrophobicContact CE2-CD2 3.38Å; F702-F811 AromaticContact CE2-CE2 3.85Å; F702-F811 HydrophobicContact CE2-CE2 3.85Å; F702-F811 HydrophobicContact CE2-CG 4.41Å; F702-F811 AromaticContact CZ-CD2 3.72Å; F702-F811 HydrophobicContact CZ-CD2 3.72Å; F702-F811 HydrophobicContact CZ-CE2 4.25Å; F702-F811 HydrophobicContact CZ-CG 4.43Å; F707-F811 HydrophobicContact CB-CB 3.87Å; F707-F811 HydrophobicContact CB-CG 4.37Å; F707-F811 HydrophobicContact CD2-CB 4.41Å; F707-F811 HydrophobicContact CD2-CD1 4.25Å; F707-F811 HydrophobicContact CD2-CD2 4.11Å; F707-F811 HydrophobicContact CD2-CE2 4.45Å; F707-F811 AromaticContact CD2-CG 3.99Å; F707-F811 HydrophobicContact CD2-CG 3.99Å; W710-F811 HydrophobicContact CB-CD1 3.88Å; W710-F811 HydrophobicContact CB-CE1 4.44Å; W710-F811 AromaticContact CD1-CE1 3.89Å; W710-F811 AromaticContact CD2-CD1 3.72Å; W710-F811 HydrophobicContact CD2-CD1 3.72Å; W710-F811 AromaticContact CD2-CE1 3.38Å; W710-F811 HydrophobicContact CD2-CE1 3.38Å; W710-F811 HydrophobicContact CD2-CZ 4.38Å; W710-F811 AromaticContact CE2-CE1 3.51Å; W710-F811 HydrophobicContact CE3-CD1 4.1Å; W710-F811 AromaticContact CE3-CE1 3.75Å; W710-F811 HydrophobicContact CE3-CE1 3.75Å; W710-F811 HydrophobicContact CE3-CZ 4.43Å; W710-F811 AromaticContact CG-CD1 3.59Å; W710-F811 HydrophobicContact CG-CD1 3.59Å; W710-F811 AromaticContact CG-CE1 3.68Å; W710-F811 HydrophobicContact CG-CE1 3.68Å; W710-F811 HydrophobicContact CH2-CE1 4.36Å; W710-F811 HydrophobicContact CZ2-CE1 4.02Å; W710-F811 HydrophobicContact CZ2-CZ 4.48Å; W710-F811 HydrophobicContact CZ3-CE1 4.23Å; W710-F811 AromaticContact NE1-CE1 3.81Å; L755-F811 HydrophobicContact CD1-CE2 4.2Å; T759-F811 HydrophobicContact CG2-CE1 4.45Å; T759-F811 HydrophobicContact CG2-CZ 3.76Å; L804-F811 HydrophobicContact CD1-CD1 3.83Å; L804-F811 HydrophobicContact CD1-CE1 3.71Å; N809-F811 VanDerWaalsContact C-N 3.29Å; N809-F811 PolarHBondContact O-N 3.19Å; F811-C813 VanDerWaalsContact C-N 3.31Å
812	L	92.8	Very high	92.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.8	172.2	-56.7	-176.9	0	0	0	112.3	L755 L804 N810 N814 L815 Y820 V823	L755-L812 HydrophobicContact CD2-CD2 3.71Å; L804-L812 HydrophobicContact CD1-CD1 4.38Å; L804-L812 HydrophobicContact CD1-CG 4.25Å; L804-L812 HydrophobicContact CD2-CD1 3.94Å; N810-L812 PolarHBondContact O-N 3.23Å; N810-L812 WeakPolarHBondContact OD1-CA 3.24Å; N810-L812 WeakPolarHBondContact OD1-CB 3.47Å; N810-L812 PolarHBondContact OD1-N 3.33Å; N810-L812 VanDerWaalsContact OD1-N 3.11Å; L812-N814 PolarHBondContact O-N 3.41Å; L812-N814 VanDerWaalsContact O-N 3.09Å; L812-L815 HydrophobicContact CB-CD1 4.14Å; L812-L815 HydrophobicContact CD2-CD1 4.05Å; L812-L815 WeakPolarHBondContact O-CB 3.25Å; L812-L815 PolarHBondContact O-N 3.23Å; L812-L815 VanDerWaalsContact O-N 3.11Å; L812-Y820 HydrophobicContact CB-CD2 3.77Å; L812-Y820 HydrophobicContact CB-CE2 3.74Å; L812-Y820 HydrophobicContact CD1-CD2 4.44Å; L812-Y820 HydrophobicContact CD1-CE2 4.25Å; L812-V823 HydrophobicContact CD1-CG1 3.84Å; L812-V823 HydrophobicContact CD2-CG1 4.22Å
813	C	90.6	Very high	92.9	Very high	61 Å²	61	56.1 Å²	56.1	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.8	-171.5	63.3	0	0	0	0	115.5	N810 F811	N810-C813 HydrophobicContact CB-CB 4.49Å; N810-C813 VanDerWaalsContact O-CB 3.22Å; N810-C813 WeakPolarHBondContact O-CB 3.48Å; N810-C813 PolarHBondContact O-N 3.41Å; N810-C813 PolarHBondContact O-SG 2.91Å; N810-C813 VanDerWaalsContact O-SG 3.37Å; N810-C813 PolarHBondContact OD1-N 3.45Å; F811-C813 VanDerWaalsContact C-N 3.31Å
814	N	90.4	Very high	93	Very high	94 Å²	94	56.8 Å²	56.8	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.1	-178.2	-64.9	-25.7	0	0	0	113.2	H701 L812	H701-N814 HydrophobicContact CB-CB 4.22Å; H701-N814 PolarHBondContact O-ND2 2.96Å; L812-N814 PolarHBondContact O-N 3.41Å; L812-N814 VanDerWaalsContact O-N 3.09Å
815	L	91.8	Very high	93.1	Very high	22 Å²	22	63.4 Å²	63.4	12%	0.115	33%	0.328	C	S	.	.	S	Bend	trans	-75	147.1	172.5	-67.6	-177.6	0	0	0	111	I700 L752 L812 E819 V823	I700-L815 HydrophobicContact CG2-CD2 3.46Å; I700-L815 VanDerWaalsContact CG2-CD2 3.46Å; I700-L815 HydrophobicContact CG2-CG 4.16Å; L752-L815 HydrophobicContact CD2-CD1 4.31Å; L752-L815 HydrophobicContact CD2-CD2 3.8Å; L812-L815 HydrophobicContact CB-CD1 4.14Å; L812-L815 HydrophobicContact CD2-CD1 4.05Å; L812-L815 WeakPolarHBondContact O-CB 3.25Å; L812-L815 PolarHBondContact O-N 3.23Å; L812-L815 VanDerWaalsContact O-N 3.11Å; L815-E819 HydrophobicContact CB-CB 4.04Å; L815-E819 HydrophobicContact CD1-CB 4.42Å; L815-E819 HydrophobicContact CD2-CB 4.06Å; L815-E819 HydrophobicContact CG-CB 4.42Å; L815-V823 HydrophobicContact CD1-CB 4.41Å; L815-V823 HydrophobicContact CD1-CG2 3.95Å
816	N	92.5	Very high	93.5	Very high	82 Å²	82	61 Å²	61	44%	0.439	31%	0.308	S	S	.	.			trans	-72	165.2	168.1	74.7	55.8	0	0	0	110.8	S818 E819 Y820	N816-S818 VanDerWaalsContact C-N 3.3Å; N816-S818 PolarHBondContact O-N 3.36Å; N816-S818 WeakPolarHBondContact OD1-CB 3.35Å; N816-S818 PolarHBondContact OD1-N 2.97Å; N816-E819 VanDerWaalsContact CG-OE2 3.24Å; N816-E819 PolarHBondContact N-OE2 3.39Å; N816-E819 WeakPolarHBondContact ND2-CG 3.4Å; N816-E819 PolarHBondContact ND2-OE1 3.33Å; N816-E819 PolarHBondContact ND2-OE2 3.15Å; N816-E819 PolarHBondContact O-N 2.92Å; N816-E819 VanDerWaalsContact O-N 3.14Å; N816-E819 PolarHBondContact OD1-N 3.49Å; N816-Y820 WeakPolarHBondContact O-CB 3.05Å; N816-Y820 PolarHBondContact O-N 3.42Å
817	R	93.4	Very high	93.9	Very high	213 Å²	213	59.8 Å²	59.8	80%	0.804	30%	0.302	S	S	*	.	H	α-helix	trans	-54.7	-42.4	-175.6	-173.6	174.4	-178.8	170.2	2.6	113.4	D821	R817-D821 WeakPolarHBondContact O-CB 3.28Å; R817-D821 PolarHBondContact O-N 2.8Å
818	S	95.5	Very high	94.4	Very high	82 Å²	82	55.8 Å²	55.8	57%	0.573	28%	0.282	S	S	*	.	H	α-helix	trans	-68.8	-38.3	-179.3	-173.9	0	0	0	0	112.5	N816 T822	N816-S818 VanDerWaalsContact C-N 3.3Å; N816-S818 PolarHBondContact O-N 3.36Å; N816-S818 WeakPolarHBondContact OD1-CB 3.35Å; N816-S818 PolarHBondContact OD1-N 2.97Å; S818-T822 VanDerWaalsContact O-CB 3.31Å; S818-T822 WeakPolarHBondContact O-CB 3.33Å; S818-T822 PolarHBondContact O-N 2.88Å; S818-T822 VanDerWaalsContact O-N 3.09Å; S818-T822 PolarHBondContact O-OG1 2.91Å
819	E	93.5	Very high	94.7	Very high	70 Å²	70	57 Å²	57	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-69.4	-45.6	176.7	-68.3	169.1	157.9	0	0	111	L752 L815 N816 D821 T822 V823	L752-E819 HydrophobicContact CD1-CB 4.01Å; L752-E819 HydrophobicContact CD1-CG 3.89Å; L815-E819 HydrophobicContact CB-CB 4.04Å; L815-E819 HydrophobicContact CD1-CB 4.42Å; L815-E819 HydrophobicContact CD2-CB 4.06Å; L815-E819 HydrophobicContact CG-CB 4.42Å; N816-E819 VanDerWaalsContact CG-OE2 3.24Å; N816-E819 PolarHBondContact N-OE2 3.39Å; N816-E819 WeakPolarHBondContact ND2-CG 3.4Å; N816-E819 PolarHBondContact ND2-OE1 3.33Å; N816-E819 PolarHBondContact ND2-OE2 3.15Å; N816-E819 PolarHBondContact O-N 2.92Å; N816-E819 VanDerWaalsContact O-N 3.14Å; N816-E819 PolarHBondContact OD1-N 3.49Å; E819-D821 PolarHBondContact O-N 3.37Å; E819-T822 PolarHBondContact O-N 2.66Å; E819-V823 WeakPolarHBondContact O-CG2 3.44Å; E819-V823 PolarHBondContact O-N 3.26Å
820	Y	94.5	Very high	94.9	Very high	49 Å²	49	57.3 Å²	57.3	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-50.5	175.8	-174.2	-84	0	0	0	110.9	L804 L812 N816 T822 V823 V824	L804-Y820 HydrophobicContact CD2-CE2 4.41Å; L804-Y820 WeakPolarHBondContact CD2-OH 3.24Å; L812-Y820 HydrophobicContact CB-CD2 3.77Å; L812-Y820 HydrophobicContact CB-CE2 3.74Å; L812-Y820 HydrophobicContact CD1-CD2 4.44Å; L812-Y820 HydrophobicContact CD1-CE2 4.25Å; N816-Y820 WeakPolarHBondContact O-CB 3.05Å; N816-Y820 PolarHBondContact O-N 3.42Å; Y820-T822 VanDerWaalsContact C-N 3.28Å; Y820-T822 PolarHBondContact O-N 3.36Å; Y820-V823 PolarHBondContact O-N 3.41Å; Y820-V824 HydrophobicContact CD1-CG2 4.02Å; Y820-V824 HydrophobicContact CE1-CG2 3.7Å; Y820-V824 WeakPolarHBondContact O-CB 3.35Å; Y820-V824 VanDerWaalsContact O-CG2 3.32Å; Y820-V824 WeakPolarHBondContact O-CG2 3.34Å; Y820-V824 PolarHBondContact O-N 2.88Å
821	D	95	Very high	95.1	Very high	69 Å²	69	55.2 Å²	55.2	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-37.5	178.5	-72	-16.8	0	0	0	111.8	R817 E819 K825	R817-D821 WeakPolarHBondContact O-CB 3.28Å; R817-D821 PolarHBondContact O-N 2.8Å; E819-D821 PolarHBondContact O-N 3.37Å; D821-K825 WeakPolarHBondContact O-CB 3.12Å; D821-K825 WeakPolarHBondContact O-CD 3.44Å; D821-K825 WeakPolarHBondContact O-CG 3.21Å; D821-K825 PolarHBondContact O-N 3.22Å
822	T	95.1	Very high	95.3	Very high	55 Å²	55	55.4 Å²	55.4	34%	0.337	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-47.4	178.4	-64.9	0	0	0	0	111.5	S818 E819 Y820 K825 L826	S818-T822 VanDerWaalsContact O-CB 3.31Å; S818-T822 WeakPolarHBondContact O-CB 3.33Å; S818-T822 PolarHBondContact O-N 2.88Å; S818-T822 VanDerWaalsContact O-N 3.09Å; S818-T822 PolarHBondContact O-OG1 2.91Å; E819-T822 PolarHBondContact O-N 2.66Å; Y820-T822 VanDerWaalsContact C-N 3.28Å; Y820-T822 PolarHBondContact O-N 3.36Å; T822-K825 PolarHBondContact O-N 3.28Å; T822-L826 HydrophobicContact CG2-CD1 3.99Å; T822-L826 VanDerWaalsContact O-CG 3.3Å; T822-L826 WeakPolarHBondContact O-CG 3.04Å; T822-L826 PolarHBondContact O-N 2.89Å
823	V	95.5	Very high	95.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-45.9	177.2	170.1	0	0	0	0	110.7	L752 A756 L812 L815 E819 Y820 K825 L826 I827	L752-V823 HydrophobicContact CB-CG2 3.81Å; L752-V823 HydrophobicContact CD1-CG2 4.45Å; L752-V823 HydrophobicContact CD2-CG2 3.77Å; L752-V823 HydrophobicContact CG-CG2 4.21Å; A756-V823 HydrophobicContact CB-CG1 4.39Å; L812-V823 HydrophobicContact CD1-CG1 3.84Å; L812-V823 HydrophobicContact CD2-CG1 4.22Å; L815-V823 HydrophobicContact CD1-CB 4.41Å; L815-V823 HydrophobicContact CD1-CG2 3.95Å; E819-V823 WeakPolarHBondContact O-CG2 3.44Å; E819-V823 PolarHBondContact O-N 3.26Å; Y820-V823 PolarHBondContact O-N 3.41Å; V823-K825 VanDerWaalsContact C-N 3.34Å; V823-K825 PolarHBondContact O-N 2.97Å; V823-L826 PolarHBondContact O-N 2.9Å; V823-I827 HydrophobicContact CG1-CD1 3.67Å; V823-I827 HydrophobicContact CG1-CG1 4.31Å; V823-I827 VanDerWaalsContact O-CG1 3.28Å; V823-I827 WeakPolarHBondContact O-CG1 3.4Å; V823-I827 PolarHBondContact O-N 3.44Å
824	V	96.8	Very high	95.8	Very high	13 Å²	13	52.9 Å²	52.9	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-41	178.5	170.4	0	0	0	0	111.6	F797 M801 Y820 I827 R828	F797-V824 HydrophobicContact CE2-CG1 4.24Å; F797-V824 HydrophobicContact CZ-CG1 3.84Å; M801-V824 HydrophobicContact CE-CG1 4.28Å; M801-V824 HydrophobicContact SD-CG1 3.65Å; M801-V824 HydrophobicContact SD-CG2 4.36Å; Y820-V824 HydrophobicContact CD1-CG2 4.02Å; Y820-V824 HydrophobicContact CE1-CG2 3.7Å; Y820-V824 WeakPolarHBondContact O-CB 3.35Å; Y820-V824 VanDerWaalsContact O-CG2 3.32Å; Y820-V824 WeakPolarHBondContact O-CG2 3.34Å; Y820-V824 PolarHBondContact O-N 2.88Å; V824-I827 PolarHBondContact O-N 3.38Å; V824-R828 PolarHBondContact O-N 2.94Å
825	K	97.3	Very high	96.1	Very high	139 Å²	139	49.3 Å²	49.3	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-63.5	-41.9	174.7	-75.5	172.1	-172.6	178.5	0	112.2	D821 T822 V823 R828 E829	D821-K825 WeakPolarHBondContact O-CB 3.12Å; D821-K825 WeakPolarHBondContact O-CD 3.44Å; D821-K825 WeakPolarHBondContact O-CG 3.21Å; D821-K825 PolarHBondContact O-N 3.22Å; T822-K825 PolarHBondContact O-N 3.28Å; V823-K825 VanDerWaalsContact C-N 3.34Å; V823-K825 PolarHBondContact O-N 2.97Å; K825-R828 WeakPolarHBondContact O-CB 3.43Å; K825-R828 PolarHBondContact O-N 3.48Å; K825-E829 PolarHBondContact O-N 2.54Å
826	L	98.1	Very high	96.2	Very high	35 Å²	35	51 Å²	51	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-41.4	177.6	-71.5	168.5	0	0	0	111.9	E753 A756 T822 V823 R828 E829 A830 L872	E753-L826 HydrophobicContact CB-CD1 4.37Å; E753-L826 HydrophobicContact CG-CD1 3.61Å; A756-L826 HydrophobicContact CB-CB 3.56Å; A756-L826 HydrophobicContact CB-CD1 4.37Å; T822-L826 HydrophobicContact CG2-CD1 3.99Å; T822-L826 VanDerWaalsContact O-CG 3.3Å; T822-L826 WeakPolarHBondContact O-CG 3.04Å; T822-L826 PolarHBondContact O-N 2.89Å; V823-L826 PolarHBondContact O-N 2.9Å; L826-R828 VanDerWaalsContact C-N 3.31Å; L826-R828 PolarHBondContact O-N 3.33Å; L826-E829 PolarHBondContact O-N 3.43Å; L826-A830 VanDerWaalsContact O-CB 3.27Å; L826-A830 WeakPolarHBondContact O-CB 2.84Å; L826-A830 PolarHBondContact O-N 2.96Å; L826-L872 HydrophobicContact CD2-CD1 4.04Å
827	I	98.5	Very high	96.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-43.7	174.8	-68	166.9	0	0	0	110.1	A756 T759 A760 F797 F800 V823 V824 A830 I831	A756-I827 HydrophobicContact CB-CG1 3.79Å; T759-I827 HydrophobicContact CG2-CD1 3.67Å; T759-I827 HydrophobicContact CG2-CG1 4.36Å; A760-I827 HydrophobicContact CB-CG2 4.25Å; F797-I827 HydrophobicContact CD2-CG2 4.37Å; F797-I827 HydrophobicContact CE2-CG2 4.43Å; F800-I827 HydrophobicContact CD1-CG2 3.93Å; F800-I827 HydrophobicContact CE1-CB 4.4Å; F800-I827 HydrophobicContact CE1-CD1 3.95Å; F800-I827 HydrophobicContact CE1-CG2 3.79Å; F800-I827 HydrophobicContact CE2-CD1 4.27Å; F800-I827 HydrophobicContact CG-CG2 4.37Å; F800-I827 HydrophobicContact CZ-CD1 3.5Å; F800-I827 HydrophobicContact CZ-CG2 4.11Å; V823-I827 HydrophobicContact CG1-CD1 3.67Å; V823-I827 HydrophobicContact CG1-CG1 4.31Å; V823-I827 VanDerWaalsContact O-CG1 3.28Å; V823-I827 WeakPolarHBondContact O-CG1 3.4Å; V823-I827 PolarHBondContact O-N 3.44Å; V824-I827 PolarHBondContact O-N 3.38Å; I827-A830 PolarHBondContact O-N 3.16Å; I827-I831 HydrophobicContact CG2-CD1 3.86Å; I827-I831 HydrophobicContact CG2-CG1 4.35Å; I827-I831 WeakPolarHBondContact O-CG1 3.32Å; I827-I831 PolarHBondContact O-N 3.35Å
828	R	98	Very high	96.4	Very high	110 Å²	110	44.1 Å²	44.1	42%	0.415	22%	0.224	S	C	.	.	H	α-helix	trans	-56.6	-53.6	175.3	-171.6	-174.4	-63	-165.7	0.2	111.5	F797 V824 K825 L826 A830 I831 L832	F797-R828 HydrophobicContact CD1-CB 4.45Å; F797-R828 HydrophobicContact CD1-CG 3.99Å; F797-R828 VanDerWaalsContact CD2-CA 3.49Å; F797-R828 HydrophobicContact CD2-CB 3.73Å; F797-R828 HydrophobicContact CD2-CG 4.05Å; F797-R828 HydrophobicContact CE1-CB 4.27Å; F797-R828 HydrophobicContact CE1-CG 4.05Å; F797-R828 HydrophobicContact CE2-CB 3.5Å; F797-R828 VanDerWaalsContact CE2-CB 3.5Å; F797-R828 HydrophobicContact CE2-CG 4.1Å; F797-R828 HydrophobicContact CG-CB 4.21Å; F797-R828 HydrophobicContact CG-CG 3.99Å; F797-R828 HydrophobicContact CZ-CB 3.79Å; F797-R828 HydrophobicContact CZ-CG 4.1Å; V824-R828 PolarHBondContact O-N 2.94Å; K825-R828 WeakPolarHBondContact O-CB 3.43Å; K825-R828 PolarHBondContact O-N 3.48Å; L826-R828 VanDerWaalsContact C-N 3.31Å; L826-R828 PolarHBondContact O-N 3.33Å; R828-A830 VanDerWaalsContact C-N 3.28Å; R828-A830 PolarHBondContact O-N 3.1Å; R828-I831 PolarHBondContact O-N 2.84Å; R828-L832 HydrophobicContact CG-CD1 4.02Å; R828-L832 HydrophobicContact CG-CG 4.5Å; R828-L832 WeakPolarHBondContact O-CB 3.46Å; R828-L832 VanDerWaalsContact O-CG 3.28Å; R828-L832 WeakPolarHBondContact O-CG 3.43Å; R828-L832 PolarHBondContact O-N 3.4Å
829	E	97.7	Very high	96.4	Very high	56 Å²	56	40.2 Å²	40.2	26%	0.262	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-36.3	-179.2	-75	-55.8	138.3	0	0	112.8	K825 L826 A833 R838 R842 L872	K825-E829 PolarHBondContact O-N 2.54Å; L826-E829 PolarHBondContact O-N 3.43Å; E829-A833 WeakPolarHBondContact O-CB 3.44Å; E829-A833 PolarHBondContact O-N 2.99Å; E829-R838 IonicContact OE2-NH2 2.96Å; E829-R838 PolarHBondContact OE2-NH2 3.35Å; E829-R842 IonicContact OE2-NH2 2.73Å; E829-R842 PolarHBondContact OE2-NH2 3.02Å; E829-L872 HydrophobicContact CB-CD1 4.03Å; E829-L872 HydrophobicContact CG-CD1 4.44Å
830	A	98.5	Very high	96.6	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-44.7	177.8	0	0	0	0	0	112.2	L757 A760 L826 I827 R828 A833 M879	L757-A830 HydrophobicContact CD2-CB 4.29Å; A760-A830 HydrophobicContact CB-CB 3.49Å; A760-A830 VanDerWaalsContact CB-CB 3.49Å; L826-A830 VanDerWaalsContact O-CB 3.27Å; L826-A830 WeakPolarHBondContact O-CB 2.84Å; L826-A830 PolarHBondContact O-N 2.96Å; I827-A830 PolarHBondContact O-N 3.16Å; R828-A830 VanDerWaalsContact C-N 3.28Å; R828-A830 PolarHBondContact O-N 3.1Å; A830-A833 WeakPolarHBondContact O-CB 3.35Å; A830-A833 PolarHBondContact O-N 3.23Å; A830-M879 HydrophobicContact CB-CE 4.31Å; A830-M879 HydrophobicContact CB-CG 3.86Å; A830-M879 HydrophobicContact CB-SD 4.03Å; A830-M879 WeakPolarHBondContact O-CE 3.36Å
831	I	98.6	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-48.2	174.6	-67.8	176.9	0	0	0	109.9	A760 H764 E793 H796 F797 I827 R828 A833 T834	A760-I831 HydrophobicContact CB-CG1 3.93Å; H764-I831 HydrophobicContact CB-CG1 4.17Å; H764-I831 HydrophobicContact CB-CG2 4.33Å; E793-I831 HydrophobicContact CB-CG2 4.34Å; E793-I831 WeakPolarHBondContact O-CG2 3.15Å; H796-I831 HydrophobicContact CB-CG2 4.06Å; F797-I831 HydrophobicContact CB-CD1 4.26Å; F797-I831 HydrophobicContact CB-CG2 4.41Å; F797-I831 HydrophobicContact CD2-CD1 4.29Å; I827-I831 HydrophobicContact CG2-CD1 3.86Å; I827-I831 HydrophobicContact CG2-CG1 4.35Å; I827-I831 WeakPolarHBondContact O-CG1 3.32Å; I827-I831 PolarHBondContact O-N 3.35Å; R828-I831 PolarHBondContact O-N 2.84Å; I831-A833 PolarHBondContact O-N 3.3Å; I831-T834 WeakPolarHBondContact O-CB 3.12Å; I831-T834 PolarHBondContact O-N 3.15Å; I831-T834 PolarHBondContact O-OG1 3.13Å
832	L	97.1	Very high	96.8	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-32.8	176	-67.7	175.1	0	0	0	111.9	E793 R828 T834 D835 R838	E793-L832 HydrophobicContact CB-CD2 3.82Å; R828-L832 HydrophobicContact CG-CD1 4.02Å; R828-L832 HydrophobicContact CG-CG 4.5Å; R828-L832 WeakPolarHBondContact O-CB 3.46Å; R828-L832 VanDerWaalsContact O-CG 3.28Å; R828-L832 WeakPolarHBondContact O-CG 3.43Å; R828-L832 PolarHBondContact O-N 3.4Å; L832-T834 PolarHBondContact O-N 2.96Å; L832-T834 VanDerWaalsContact O-N 3.1Å; L832-D835 PolarHBondContact O-N 2.82Å; L832-D835 VanDerWaalsContact O-N 3.14Å; L832-R838 VanDerWaalsContact O-CD 3.23Å; L832-R838 WeakPolarHBondContact O-CD 3.4Å
833	A	97.3	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.5	178.1	0	0	0	0	0	115.2	E829 A830 I831 D835 C876 M879 T880	E829-A833 WeakPolarHBondContact O-CB 3.44Å; E829-A833 PolarHBondContact O-N 2.99Å; A830-A833 WeakPolarHBondContact O-CB 3.35Å; A830-A833 PolarHBondContact O-N 3.23Å; I831-A833 PolarHBondContact O-N 3.3Å; A833-D835 VanDerWaalsContact C-N 3.33Å; A833-C876 HydrophobicContact CB-CB 3.77Å; A833-M879 HydrophobicContact CB-CB 4.15Å; A833-T880 PolarHBondContact O-OG1 2.74Å
834	T	97.3	Very high	97	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.3	174.8	63.1	0	0	0	0	112.8	H764 I831 L832 L836 M879	H764-T834 HydrophobicContact CB-CG2 3.96Å; I831-T834 WeakPolarHBondContact O-CB 3.12Å; I831-T834 PolarHBondContact O-N 3.15Å; I831-T834 PolarHBondContact O-OG1 3.13Å; L832-T834 PolarHBondContact O-N 2.96Å; L832-T834 VanDerWaalsContact O-N 3.1Å; T834-L836 PolarHBondContact O-N 3.4Å; T834-L836 VanDerWaalsContact O-N 3.1Å; T834-M879 HydrophobicContact CG2-CE 3.77Å
835	D	96.1	Very high	96.9	Very high	18 Å²	18	47.6 Å²	47.6	10%	0.096	24%	0.242	C	C	.	.	S	Bend	trans	-64.7	113.4	167.4	-177.3	-8.1	0	0	0	110	S790 E793 L832 A833 S837 R838 Y839	S790-D835 PolarHBondContact OG-OD2 3.05Å; E793-D835 HydrophobicContact CG-CB 4Å; L832-D835 PolarHBondContact O-N 2.82Å; L832-D835 VanDerWaalsContact O-N 3.14Å; A833-D835 VanDerWaalsContact C-N 3.33Å; D835-S837 PolarHBondContact O-N 2.87Å; D835-S837 VanDerWaalsContact O-N 3.08Å; D835-S837 WeakPolarHBondContact OD1-CB 3.14Å; D835-S837 PolarHBondContact OD1-N 2.76Å; D835-S837 PolarHBondContact OD1-OG 3.47Å; D835-R838 HydrophobicContact CB-CG 4.29Å; D835-R838 WeakPolarHBondContact O-CB 3.44Å; D835-R838 PolarHBondContact O-N 2.78Å; D835-Y839 PolarHBondContact O-N 2.75Å
836	L	94.4	Very high	96.9	Very high	57 Å²	57	41 Å²	41	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-55.9	-26.7	178.7	-74.4	173.6	0	0	0	113.3	T834 R838 Y839 F840 T880 I943	T834-L836 PolarHBondContact O-N 3.4Å; T834-L836 VanDerWaalsContact O-N 3.1Å; L836-R838 VanDerWaalsContact C-N 3.27Å; L836-R838 PolarHBondContact O-N 3.39Å; L836-Y839 HydrophobicContact CD2-CD1 4.19Å; L836-Y839 WeakPolarHBondContact O-CB 3.22Å; L836-Y839 PolarHBondContact O-N 3.07Å; L836-F840 HydrophobicContact CB-CE2 4.4Å; L836-F840 WeakPolarHBondContact O-CD2 3.1Å; L836-F840 PolarHBondContact O-N 2.95Å; L836-T880 HydrophobicContact CD2-CG2 4.26Å; L836-I943 HydrophobicContact CD1-CD1 4.06Å; L836-I943 HydrophobicContact CD2-CG2 3.96Å
837	S	94.2	Very high	96.9	Very high	81 Å²	81	43.7 Å²	43.7	57%	0.566	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-39.1	174.7	-46.6	0	0	0	0	111.3	D835 A841	D835-S837 PolarHBondContact O-N 2.87Å; D835-S837 VanDerWaalsContact O-N 3.08Å; D835-S837 WeakPolarHBondContact OD1-CB 3.14Å; D835-S837 PolarHBondContact OD1-N 2.76Å; D835-S837 PolarHBondContact OD1-OG 3.47Å; S837-A841 PolarHBondContact O-N 3.37Å
838	R	94.7	Very high	96.7	Very high	71 Å²	71	50.6 Å²	50.6	27%	0.268	26%	0.257	S	S	.	.	H	α-helix	trans	-74.7	-32.1	176.8	-63.3	176.9	69.4	87.1	-7.2	111.5	E829 L832 D835 L836 A841 R842	E829-R838 IonicContact OE2-NH2 2.96Å; E829-R838 PolarHBondContact OE2-NH2 3.35Å; L832-R838 VanDerWaalsContact O-CD 3.23Å; L832-R838 WeakPolarHBondContact O-CD 3.4Å; D835-R838 HydrophobicContact CB-CG 4.29Å; D835-R838 WeakPolarHBondContact O-CB 3.44Å; D835-R838 PolarHBondContact O-N 2.78Å; L836-R838 VanDerWaalsContact C-N 3.27Å; L836-R838 PolarHBondContact O-N 3.39Å; R838-A841 PolarHBondContact O-N 3.01Å; R838-R842 VanDerWaalsContact NH2-NH2 3.13Å; R838-R842 WeakPolarHBondContact O-CB 3.41Å; R838-R842 WeakPolarHBondContact O-CD 3.41Å; R838-R842 VanDerWaalsContact O-CG 3.22Å; R838-R842 WeakPolarHBondContact O-CG 3.25Å; R838-R842 PolarHBondContact O-N 3.39Å
839	Y	96.9	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-50.9	170.1	161.7	-111.5	0	0	0	111.4	D835 L836 A841 R842 L843 M877 T880 I943 I947	D835-Y839 PolarHBondContact O-N 2.75Å; L836-Y839 HydrophobicContact CD2-CD1 4.19Å; L836-Y839 WeakPolarHBondContact O-CB 3.22Å; L836-Y839 PolarHBondContact O-N 3.07Å; Y839-A841 VanDerWaalsContact C-N 3.26Å; Y839-A841 PolarHBondContact O-N 2.65Å; Y839-R842 PolarHBondContact O-N 3.31Å; Y839-L843 HydrophobicContact CD2-CB 4.38Å; Y839-L843 HydrophobicContact CE1-CD2 4.47Å; Y839-L843 HydrophobicContact CE2-CB 3.98Å; Y839-L843 HydrophobicContact CE2-CD1 3.94Å; Y839-L843 HydrophobicContact CE2-CD2 4.22Å; Y839-L843 HydrophobicContact CE2-CG 4.26Å; Y839-L843 WeakPolarHBondContact O-CB 3.47Å; Y839-L843 PolarHBondContact O-N 2.92Å; Y839-L843 WeakPolarHBondContact OH-CD2 3.09Å; Y839-M877 HydrophobicContact CD2-CE 4.22Å; Y839-M877 HydrophobicContact CD2-SD 4.23Å; Y839-M877 HydrophobicContact CE2-SD 4.4Å; Y839-T880 HydrophobicContact CD1-CG2 4.38Å; Y839-T880 HydrophobicContact CD2-CG2 3.79Å; Y839-T880 HydrophobicContact CE2-CG2 4.34Å; Y839-T880 HydrophobicContact CG-CG2 3.79Å; Y839-I943 HydrophobicContact CE1-CG2 4.14Å; Y839-I943 PolarHBondContact OH-O 3.06Å; Y839-I947 HydrophobicContact CE2-CB 4.1Å; Y839-I947 HydrophobicContact CE2-CD1 4.03Å; Y839-I947 HydrophobicContact CE2-CG1 4.41Å; Y839-I947 PolarHBondContact OH-N 2.98Å
840	F	96.8	Very high	96.3	Very high	104 Å²	104	43.6 Å²	43.6	46%	0.456	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-35	178.9	-70.2	-59.1	0	0	0	112.9	L836 P844 I943	L836-F840 HydrophobicContact CB-CE2 4.4Å; L836-F840 WeakPolarHBondContact O-CD2 3.1Å; L836-F840 PolarHBondContact O-N 2.95Å; F840-P844 WeakPolarHBondContact O-CD 3.18Å; F840-I943 HydrophobicContact CE1-CG1 4.23Å; F840-I943 HydrophobicContact CZ-CD1 4Å; F840-I943 HydrophobicContact CZ-CG1 3.73Å
841	A	95.6	Very high	95.9	Very high	79 Å²	79	48.7 Å²	48.7	65%	0.653	25%	0.254	S	S	*	.	H	α-helix	trans	-70.1	-31.3	175	0	0	0	0	0	113.3	S837 R838 Y839	S837-A841 PolarHBondContact O-N 3.37Å; R838-A841 PolarHBondContact O-N 3.01Å; Y839-A841 VanDerWaalsContact C-N 3.26Å; Y839-A841 PolarHBondContact O-N 2.65Å
842	R	97.5	Very high	95.5	Very high	41 Å²	41	53.2 Å²	53.2	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-92.2	-29.5	-175.1	-73.5	169.8	177.1	166.9	-11.1	113.7	E829 R838 Y839 K845 F846 L873 C876 M877	E829-R842 IonicContact OE2-NH2 2.73Å; E829-R842 PolarHBondContact OE2-NH2 3.02Å; R838-R842 VanDerWaalsContact NH2-NH2 3.13Å; R838-R842 WeakPolarHBondContact O-CB 3.41Å; R838-R842 WeakPolarHBondContact O-CD 3.41Å; R838-R842 VanDerWaalsContact O-CG 3.22Å; R838-R842 WeakPolarHBondContact O-CG 3.25Å; R838-R842 PolarHBondContact O-N 3.39Å; Y839-R842 PolarHBondContact O-N 3.31Å; R842-K845 WeakPolarHBondContact O-CB 3.27Å; R842-K845 PolarHBondContact O-N 3.21Å; R842-F846 PolarHBondContact O-N 3.34Å; R842-L873 HydrophobicContact CB-CD1 3.83Å; R842-L873 HydrophobicContact CG-CD1 4.09Å; R842-C876 PolarHBondContact NH1-SG 3.38Å; R842-C876 VanDerWaalsContact NH1-SG 3.39Å; R842-M877 HydrophobicContact CB-CE 3.49Å; R842-M877 VanDerWaalsContact CB-CE 3.49Å; R842-M877 HydrophobicContact CG-CE 4.46Å
843	L	97.3	Very high	95.1	Very high	18 Å²	18	53.6 Å²	53.6	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-46	-176	177.9	68.3	0	0	0	113.3	Y839 K845 F846 Q847 P946	Y839-L843 HydrophobicContact CD2-CB 4.38Å; Y839-L843 HydrophobicContact CE1-CD2 4.47Å; Y839-L843 HydrophobicContact CE2-CB 3.98Å; Y839-L843 HydrophobicContact CE2-CD1 3.94Å; Y839-L843 HydrophobicContact CE2-CD2 4.22Å; Y839-L843 HydrophobicContact CE2-CG 4.26Å; Y839-L843 WeakPolarHBondContact O-CB 3.47Å; Y839-L843 PolarHBondContact O-N 2.92Å; Y839-L843 WeakPolarHBondContact OH-CD2 3.09Å; L843-K845 VanDerWaalsContact C-N 3.33Å; L843-K845 PolarHBondContact O-N 3.36Å; L843-F846 PolarHBondContact O-N 3.42Å; L843-Q847 HydrophobicContact CD1-CG 4.12Å; L843-Q847 HydrophobicContact CG-CG 4.37Å; L843-Q847 WeakPolarHBondContact O-CG 3.49Å; L843-Q847 PolarHBondContact O-N 2.98Å; L843-P946 HydrophobicContact CD2-CB 4.2Å
844	P	97.3	Very high	94.6	Very high	77 Å²	77	59.6 Å²	59.6	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-41.4	178.3	-24.2	35	0	0	0	112.6	F840 F846 Q847 Q848	F840-P844 WeakPolarHBondContact O-CD 3.18Å; P844-F846 VanDerWaalsContact C-N 3.35Å; P844-F846 PolarHBondContact O-N 3.35Å; P844-Q847 PolarHBondContact O-N 3.43Å; P844-Q848 WeakPolarHBondContact O-CB 3.34Å; P844-Q848 PolarHBondContact O-N 2.82Å
845	K	96.4	Very high	94	Very high	91 Å²	91	65.1 Å²	65.1	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-43	176	-176	176.7	179.2	174.4	0	111	R842 L843 Q848 T849 E869 L873	R842-K845 WeakPolarHBondContact O-CB 3.27Å; R842-K845 PolarHBondContact O-N 3.21Å; L843-K845 VanDerWaalsContact C-N 3.33Å; L843-K845 PolarHBondContact O-N 3.36Å; K845-Q848 WeakPolarHBondContact O-CB 3.31Å; K845-Q848 PolarHBondContact O-N 3.16Å; K845-T849 PolarHBondContact O-N 3.22Å; K845-T849 PolarHBondContact O-OG1 3.25Å; K845-E869 IonicContact NZ-OE1 3.59Å; K845-E869 PolarHBondContact NZ-OE1 3.08Å; K845-L873 HydrophobicContact CB-CD2 4.5Å; K845-L873 HydrophobicContact CD-CD2 4.26Å; K845-L873 HydrophobicContact CG-CD2 3.99Å
846	F	97.4	Very high	93.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-43.7	177.3	-172.5	-114.5	0	0	0	112.3	R842 L843 P844 Q848 T849 L850 W864 L873 L874 M877 A950 V954	R842-F846 PolarHBondContact O-N 3.34Å; L843-F846 PolarHBondContact O-N 3.42Å; P844-F846 VanDerWaalsContact C-N 3.35Å; P844-F846 PolarHBondContact O-N 3.35Å; F846-Q848 VanDerWaalsContact C-N 3.3Å; F846-Q848 PolarHBondContact O-N 2.62Å; F846-T849 WeakPolarHBondContact O-CB 3.4Å; F846-T849 PolarHBondContact O-N 2.86Å; F846-L850 HydrophobicContact CD1-CD1 3.87Å; F846-L850 HydrophobicContact CD1-CG 4.4Å; F846-L850 HydrophobicContact CE1-CD1 3.67Å; F846-L850 HydrophobicContact CE1-CG 4.22Å; F846-L850 HydrophobicContact CZ-CD1 4.34Å; F846-L850 HydrophobicContact CZ-CD2 4.38Å; F846-L850 HydrophobicContact CZ-CG 4.46Å; F846-L850 WeakPolarHBondContact O-CG 3.18Å; F846-L850 PolarHBondContact O-N 3.23Å; F846-W864 HydrophobicContact CD2-CH2 4.04Å; F846-W864 HydrophobicContact CD2-CZ3 4.43Å; F846-W864 AromaticContact CE2-CH2 3.42Å; F846-W864 HydrophobicContact CE2-CH2 3.42Å; F846-W864 VanDerWaalsContact CE2-CH2 3.42Å; F846-W864 HydrophobicContact CE2-CZ2 4.28Å; F846-W864 AromaticContact CE2-CZ3 3.91Å; F846-W864 HydrophobicContact CE2-CZ3 3.91Å; F846-W864 HydrophobicContact CZ-CH2 4.23Å; F846-L873 HydrophobicContact CB-CD1 4.47Å; F846-L873 HydrophobicContact CB-CD2 4.14Å; F846-L873 HydrophobicContact CB-CG 4.33Å; F846-L873 HydrophobicContact CD2-CD2 4.09Å; F846-L873 HydrophobicContact CD2-CG 3.96Å; F846-L874 HydrophobicContact CE2-CB 4.48Å; F846-L874 HydrophobicContact CE2-CD1 3.79Å; F846-L874 HydrophobicContact CZ-CD1 3.78Å; F846-M877 HydrophobicContact CB-CG 4.09Å; F846-M877 HydrophobicContact CB-SD 4.1Å; F846-M877 HydrophobicContact CD1-CG 3.75Å; F846-M877 HydrophobicContact CD1-SD 4.17Å; F846-M877 HydrophobicContact CD2-CG 3.74Å; F846-M877 HydrophobicContact CE1-CB 4.34Å; F846-M877 HydrophobicContact CE1-CG 4.01Å; F846-M877 HydrophobicContact CE2-CB 4.47Å; F846-M877 HydrophobicContact CE2-CG 3.99Å; F846-M877 HydrophobicContact CG-CG 3.59Å; F846-M877 HydrophobicContact CG-SD 4.14Å; F846-M877 HydrophobicContact CZ-CB 4.3Å; F846-M877 HydrophobicContact CZ-CG 4.12Å; F846-A950 HydrophobicContact CD1-CB 3.96Å; F846-A950 HydrophobicContact CE1-CB 3.81Å; F846-V954 HydrophobicContact CE1-CG2 4.41Å; F846-V954 HydrophobicContact CZ-CG2 3.71Å
847	Q	96.4	Very high	92.8	Very high	92 Å²	92	71.8 Å²	71.8	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-37.7	175.1	-72.9	174.2	-24.9	0	0	112.2	L843 P844 L850 H851	L843-Q847 HydrophobicContact CD1-CG 4.12Å; L843-Q847 HydrophobicContact CG-CG 4.37Å; L843-Q847 WeakPolarHBondContact O-CG 3.49Å; L843-Q847 PolarHBondContact O-N 2.98Å; P844-Q847 PolarHBondContact O-N 3.43Å; Q847-L850 PolarHBondContact O-N 3.19Å; Q847-H851 WeakPolarHBondContact O-CB 3.2Å; Q847-H851 PolarHBondContact O-N 2.84Å
848	Q	94.8	Very high	91.8	Very high	145 Å²	145	70.3 Å²	70.3	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-44	173.7	-171.7	179.4	11.7	0	0	111.7	P844 K845 F846 L850 H851 H852	P844-Q848 WeakPolarHBondContact O-CB 3.34Å; P844-Q848 PolarHBondContact O-N 2.82Å; K845-Q848 WeakPolarHBondContact O-CB 3.31Å; K845-Q848 PolarHBondContact O-N 3.16Å; F846-Q848 VanDerWaalsContact C-N 3.3Å; F846-Q848 PolarHBondContact O-N 2.62Å; Q848-L850 VanDerWaalsContact C-N 3.34Å; Q848-L850 PolarHBondContact O-N 3.31Å; Q848-H851 PolarHBondContact O-N 2.96Å; Q848-H852 PolarHBondContact O-N 3.44Å
849	T	93.5	Very high	90.6	Very high	14 Å²	14	75.7 Å²	75.7	9%	0.086	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-45.5	173.3	-59.9	0	0	0	0	111.3	K845 F846 H851 H852 L853 L863 W864 Q870	K845-T849 PolarHBondContact O-N 3.22Å; K845-T849 PolarHBondContact O-OG1 3.25Å; F846-T849 WeakPolarHBondContact O-CB 3.4Å; F846-T849 PolarHBondContact O-N 2.86Å; T849-H851 PolarHBondContact O-N 3.31Å; T849-H852 PolarHBondContact O-N 2.74Å; T849-L853 HydrophobicContact CG2-CD1 4.37Å; T849-L853 WeakPolarHBondContact O-CG 3.42Å; T849-L853 PolarHBondContact O-N 3.3Å; T849-L863 HydrophobicContact CG2-CD2 3.71Å; T849-W864 HydrophobicContact CG2-CH2 3.66Å; T849-W864 HydrophobicContact CG2-CZ2 4.3Å; T849-W864 HydrophobicContact CG2-CZ3 4.09Å; T849-Q870 VanDerWaalsContact CG2-OE1 3.27Å; T849-Q870 PolarHBondContact OG1-OE1 3.41Å
850	L	93.4	Very high	89.3	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-39.9	177.7	-68	174.4	0	0	0	112.6	F846 Q847 Q848 L853 K854 W864 A950 Q953 V954	F846-L850 HydrophobicContact CD1-CD1 3.87Å; F846-L850 HydrophobicContact CD1-CG 4.4Å; F846-L850 HydrophobicContact CE1-CD1 3.67Å; F846-L850 HydrophobicContact CE1-CG 4.22Å; F846-L850 HydrophobicContact CZ-CD1 4.34Å; F846-L850 HydrophobicContact CZ-CD2 4.38Å; F846-L850 HydrophobicContact CZ-CG 4.46Å; F846-L850 WeakPolarHBondContact O-CG 3.18Å; F846-L850 PolarHBondContact O-N 3.23Å; Q847-L850 PolarHBondContact O-N 3.19Å; Q848-L850 VanDerWaalsContact C-N 3.34Å; Q848-L850 PolarHBondContact O-N 3.31Å; L850-L853 PolarHBondContact O-N 2.93Å; L850-K854 WeakPolarHBondContact O-CG 3.37Å; L850-K854 PolarHBondContact O-N 3.27Å; L850-K854 VanDerWaalsContact O-N 3.1Å; L850-W864 HydrophobicContact CD2-CZ2 4.16Å; L850-A950 HydrophobicContact CD1-CB 3.94Å; L850-A950 WeakPolarHBondContact CD1-O 3.43Å; L850-Q953 HydrophobicContact CD1-CB 4.28Å; L850-Q953 HydrophobicContact CD2-CB 4.21Å; L850-V954 HydrophobicContact CD2-CG2 3.83Å
851	H	92	Very high	88.3	Confident	112 Å²	112	74.6 Å²	74.6	52%	0.519	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-46	175.9	-170.5	-90.6	0	0	0	111.1	Q847 Q848 T849 L853 K854 E855	Q847-H851 WeakPolarHBondContact O-CB 3.2Å; Q847-H851 PolarHBondContact O-N 2.84Å; Q848-H851 PolarHBondContact O-N 2.96Å; T849-H851 PolarHBondContact O-N 3.31Å; H851-L853 PolarHBondContact O-N 2.8Å; H851-K854 WeakPolarHBondContact O-CB 3.48Å; H851-K854 PolarHBondContact O-N 3.42Å; H851-E855 IonicContact CE1-OE1 2.79Å; H851-E855 PolarHBondContact CE1-OE1 3.42Å; H851-E855 IonicContact ND1-OE1 2.91Å; H851-E855 PolarHBondContact ND1-OE1 2.83Å; H851-E855 WeakPolarHBondContact O-CG 3.1Å; H851-E855 PolarHBondContact O-N 3.18Å
852	H	89.6	Confident	87.6	Confident	94 Å²	94	74.2 Å²	74.2	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-44.8	177.9	-176.9	57.5	0	0	0	112.3	Q848 T849 K854 E855 I856	Q848-H852 PolarHBondContact O-N 3.44Å; T849-H852 PolarHBondContact O-N 2.74Å; H852-K854 VanDerWaalsContact C-N 3.28Å; H852-K854 PolarHBondContact O-N 2.94Å; H852-E855 IonicContact ND1-OE2 3.79Å; H852-E855 WeakPolarHBondContact O-CB 3.36Å; H852-E855 PolarHBondContact O-N 3.17Å; H852-E855 VanDerWaalsContact O-N 3.14Å; H852-I856 WeakPolarHBondContact O-CG1 3.48Å; H852-I856 PolarHBondContact O-N 3.36Å; H852-I856 VanDerWaalsContact O-N 3.09Å
853	L	87.9	Confident	87	Confident	15 Å²	15	74.6 Å²	74.6	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-57.5	-40.4	175	-78.6	174.7	0	0	0	112.6	T849 L850 H851 I856 N857 D858 L863 W864	T849-L853 HydrophobicContact CG2-CD1 4.37Å; T849-L853 WeakPolarHBondContact O-CG 3.42Å; T849-L853 PolarHBondContact O-N 3.3Å; L850-L853 PolarHBondContact O-N 2.93Å; H851-L853 PolarHBondContact O-N 2.8Å; L853-I856 HydrophobicContact CD2-CD1 4.25Å; L853-I856 WeakPolarHBondContact O-CG1 3.39Å; L853-N857 PolarHBondContact O-N 3.44Å; L853-D858 HydrophobicContact CD2-CB 4.26Å; L853-D858 PolarHBondContact O-N 3.38Å; L853-D858 VanDerWaalsContact O-N 3.09Å; L853-L863 HydrophobicContact CD1-CD2 3.98Å; L853-L863 HydrophobicContact CD2-CB 3.77Å; L853-L863 HydrophobicContact CD2-CD2 3.51Å; L853-L863 HydrophobicContact CD2-CG 4.26Å; L853-L863 HydrophobicContact CG-CD2 3.71Å; L853-W864 HydrophobicContact CD1-CH2 4.45Å; L853-W864 HydrophobicContact CD1-CZ2 3.56Å
854	K	87.2	Confident	86.6	Confident	126 Å²	126	74 Å²	74	55%	0.548	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-40.4	175.2	-76.6	175.2	168.6	-178.4	0	112.5	L850 H851 H852 N857 Q953	L850-K854 WeakPolarHBondContact O-CG 3.37Å; L850-K854 PolarHBondContact O-N 3.27Å; L850-K854 VanDerWaalsContact O-N 3.1Å; H851-K854 WeakPolarHBondContact O-CB 3.48Å; H851-K854 PolarHBondContact O-N 3.42Å; H852-K854 VanDerWaalsContact C-N 3.28Å; H852-K854 PolarHBondContact O-N 2.94Å; K854-N857 PolarHBondContact O-N 3.32Å; K854-N857 VanDerWaalsContact O-N 3.14Å; K854-Q953 VanDerWaalsContact NZ-CD 3.31Å
855	E	85.6	Confident	86.1	Confident	127 Å²	127	75.6 Å²	75.6	59%	0.593	36%	0.364	S	S	*	.	H	α-helix	trans	-62.4	-42.2	177.7	-73.8	177.2	160.1	0	0	112.4	H851 H852 N857	H851-E855 IonicContact CE1-OE1 2.79Å; H851-E855 PolarHBondContact CE1-OE1 3.42Å; H851-E855 IonicContact ND1-OE1 2.91Å; H851-E855 PolarHBondContact ND1-OE1 2.83Å; H851-E855 WeakPolarHBondContact O-CG 3.1Å; H851-E855 PolarHBondContact O-N 3.18Å; H852-E855 IonicContact ND1-OE2 3.79Å; H852-E855 WeakPolarHBondContact O-CB 3.36Å; H852-E855 PolarHBondContact O-N 3.17Å; H852-E855 VanDerWaalsContact O-N 3.14Å; E855-N857 PolarHBondContact O-N 2.73Å
856	I	85.7	Confident	85.7	Confident	90 Å²	90	77.1 Å²	77.1	46%	0.462	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1	177.5	65.2	174.9	0	0	0	112.9	H852 L853 D858	H852-I856 WeakPolarHBondContact O-CG1 3.48Å; H852-I856 PolarHBondContact O-N 3.36Å; H852-I856 VanDerWaalsContact O-N 3.09Å; L853-I856 HydrophobicContact CD2-CD1 4.25Å; L853-I856 WeakPolarHBondContact O-CG1 3.39Å; I856-D858 HydrophobicContact CD1-CB 3.61Å; I856-D858 HydrophobicContact CG1-CB 3.61Å; I856-D858 PolarHBondContact O-N 2.96Å
857	N	78.8	Confident	85.4	Confident	124 Å²	124	79.9 Å²	79.9	66%	0.663	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34	-174.4	-165.8	47.3	0	0	0	112.8	L853 K854 E855 Q859	L853-N857 PolarHBondContact O-N 3.44Å; K854-N857 PolarHBondContact O-N 3.32Å; K854-N857 VanDerWaalsContact O-N 3.14Å; E855-N857 PolarHBondContact O-N 2.73Å; N857-Q859 PolarHBondContact O-N 3.49Å
858	D	72.6	Confident	85.3	Confident	51 Å²	51	84.3 Å²	84.3	27%	0.273	41%	0.405	S	S	.	.			trans	-86.5	93.6	178.4	-171.9	12.2	0	0	0	109.3	L853 I856 S860	L853-D858 HydrophobicContact CD2-CB 4.26Å; L853-D858 PolarHBondContact O-N 3.38Å; L853-D858 VanDerWaalsContact O-N 3.09Å; I856-D858 HydrophobicContact CD1-CB 3.61Å; I856-D858 HydrophobicContact CG1-CB 3.61Å; I856-D858 PolarHBondContact O-N 2.96Å; D858-S860 VanDerWaalsContact CG-OG 3.26Å; D858-S860 PolarHBondContact O-N 3.34Å; D858-S860 WeakPolarHBondContact OD1-CA 3.42Å; D858-S860 WeakPolarHBondContact OD1-CB 3.15Å; D858-S860 PolarHBondContact OD1-N 2.87Å; D858-S860 PolarHBondContact OD1-OG 3.32Å; D858-S860 PolarHBondContact OD2-OG 2.99Å
859	Q	69.4	Low	85.2	Confident	183 Å²	183	82.7 Å²	82.7	86%	0.855	40%	0.397	S	S	*	.			trans	-80.8	0.6	171	-64.2	-173.8	-5.5	0	0	112.5	N857	N857-Q859 PolarHBondContact O-N 3.49Å
860	S	69.7	Low	85.2	Confident	39 Å²	39	83.3 Å²	83.3	27%	0.273	40%	0.399	S	S	.	.	S	Bend	trans	-81.4	151.7	177.1	81.4	0	0	0	0	111	D858 N862	D858-S860 VanDerWaalsContact CG-OG 3.26Å; D858-S860 PolarHBondContact O-N 3.34Å; D858-S860 WeakPolarHBondContact OD1-CA 3.42Å; D858-S860 WeakPolarHBondContact OD1-CB 3.15Å; D858-S860 PolarHBondContact OD1-N 2.87Å; D858-S860 PolarHBondContact OD1-OG 3.32Å; D858-S860 PolarHBondContact OD2-OG 2.99Å; S860-N862 WeakPolarHBondContact CB-ND2 3.27Å; S860-N862 PolarHBondContact O-N 3.13Å; S860-N862 VanDerWaalsContact O-N 3.13Å; S860-N862 VanDerWaalsContact OG-CB 3.22Å; S860-N862 WeakPolarHBondContact OG-CB 3.15Å; S860-N862 PolarHBondContact OG-N 2.79Å; S860-N862 PolarHBondContact OG-ND2 3.18Å
861	T	75.5	Confident	85.3	Confident	43 Å²	43	84.4 Å²	84.4	26%	0.264	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	13.9	172.7	56.5	0	0	0	0	112.9	V748 L863 W864 R865	V748-T861 HydrophobicContact CG2-CG2 3.95Å; T861-L863 PolarHBondContact O-N 3.06Å; T861-W864 PolarHBondContact O-N 2.78Å; T861-R865 PolarHBondContact O-N 3.19Å
862	N	81.4	Confident	85.5	Confident	71 Å²	71	82.1 Å²	82.1	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-40.1	-170.3	-75.2	-33	0	0	0	113.3	S860 W864 R865 N866	S860-N862 WeakPolarHBondContact CB-ND2 3.27Å; S860-N862 PolarHBondContact O-N 3.13Å; S860-N862 VanDerWaalsContact O-N 3.13Å; S860-N862 VanDerWaalsContact OG-CB 3.22Å; S860-N862 WeakPolarHBondContact OG-CB 3.15Å; S860-N862 PolarHBondContact OG-N 2.79Å; S860-N862 PolarHBondContact OG-ND2 3.18Å; N862-W864 VanDerWaalsContact C-N 3.31Å; N862-W864 PolarHBondContact O-N 3.16Å; N862-R865 PolarHBondContact O-N 3.3Å; N862-N866 WeakPolarHBondContact O-CB 3.37Å; N862-N866 VanDerWaalsContact O-CG 3.31Å; N862-N866 PolarHBondContact O-N 2.95Å; N862-N866 PolarHBondContact O-ND2 3.14Å
863	L	85.4	Confident	85.9	Confident	48 Å²	48	78.3 Å²	78.3	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-56.5	-50	176.9	179.7	67.1	0	0	0	110.4	T849 L853 T861 N866 D867 Q870	T849-L863 HydrophobicContact CG2-CD2 3.71Å; L853-L863 HydrophobicContact CD1-CD2 3.98Å; L853-L863 HydrophobicContact CD2-CB 3.77Å; L853-L863 HydrophobicContact CD2-CD2 3.51Å; L853-L863 HydrophobicContact CD2-CG 4.26Å; L853-L863 HydrophobicContact CG-CD2 3.71Å; T861-L863 PolarHBondContact O-N 3.06Å; L863-N866 PolarHBondContact O-N 2.93Å; L863-D867 WeakPolarHBondContact O-CB 2.99Å; L863-D867 PolarHBondContact O-N 3.13Å; L863-Q870 HydrophobicContact CG-CG 4.48Å
864	W	88.8	Confident	86.3	Confident	6 Å²	6	77.6 Å²	77.6	2%	0.023	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-52.2	175.9	-48	111.7	0	0	0	109.7	V748 F846 T849 L850 L853 T861 N862 N866 Q870 R871 L874 V954	V748-W864 HydrophobicContact CG1-CB 3.49Å; V748-W864 VanDerWaalsContact CG1-CB 3.49Å; F846-W864 HydrophobicContact CD2-CH2 4.04Å; F846-W864 HydrophobicContact CD2-CZ3 4.43Å; F846-W864 AromaticContact CE2-CH2 3.42Å; F846-W864 HydrophobicContact CE2-CH2 3.42Å; F846-W864 VanDerWaalsContact CE2-CH2 3.42Å; F846-W864 HydrophobicContact CE2-CZ2 4.28Å; F846-W864 AromaticContact CE2-CZ3 3.91Å; F846-W864 HydrophobicContact CE2-CZ3 3.91Å; F846-W864 HydrophobicContact CZ-CH2 4.23Å; T849-W864 HydrophobicContact CG2-CH2 3.66Å; T849-W864 HydrophobicContact CG2-CZ2 4.3Å; T849-W864 HydrophobicContact CG2-CZ3 4.09Å; L850-W864 HydrophobicContact CD2-CZ2 4.16Å; L853-W864 HydrophobicContact CD1-CH2 4.45Å; L853-W864 HydrophobicContact CD1-CZ2 3.56Å; T861-W864 PolarHBondContact O-N 2.78Å; N862-W864 VanDerWaalsContact C-N 3.31Å; N862-W864 PolarHBondContact O-N 3.16Å; W864-N866 VanDerWaalsContact C-N 3.25Å; W864-N866 PolarHBondContact O-N 2.96Å; W864-N866 VanDerWaalsContact O-N 3.13Å; W864-Q870 HydrophobicContact CE3-CB 3.9Å; W864-Q870 HydrophobicContact CZ3-CB 4.03Å; W864-Q870 WeakPolarHBondContact CZ3-O 3.34Å; W864-R871 HydrophobicContact CB-CG 4.45Å; W864-R871 WeakPolarHBondContact O-CD 3.24Å; W864-R871 WeakPolarHBondContact O-CG 3.21Å; W864-R871 PolarHBondContact O-NH1 2.69Å; W864-R871 VanDerWaalsContact O-NH1 3.15Å; W864-L874 HydrophobicContact CB-CD2 4.31Å; W864-L874 HydrophobicContact CD2-CD2 3.88Å; W864-L874 HydrophobicContact CE3-CB 3.81Å; W864-L874 HydrophobicContact CE3-CD2 3.96Å; W864-L874 HydrophobicContact CE3-CG 4.33Å; W864-L874 HydrophobicContact CG-CD2 4.04Å; W864-L874 HydrophobicContact CZ3-CB 3.9Å; W864-L874 HydrophobicContact CZ3-CD1 4.47Å; W864-V954 HydrophobicContact CZ2-CG2 4.35Å
865	R	86.1	Confident	86.8	Confident	110 Å²	110	71.8 Å²	71.8	42%	0.415	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-35	-177.9	-173.5	-179.4	-71.5	164	1.2	114	S747 T861 N862 R871	S747-R865 PolarHBondContact O-NE 3.45Å; S747-R865 PolarHBondContact O-NH2 2.86Å; S747-R865 PolarHBondContact OG-NH2 2.93Å; T861-R865 PolarHBondContact O-N 3.19Å; N862-R865 PolarHBondContact O-N 3.3Å; R865-R871 PolarHBondContact O-NH1 3.04Å
866	N	88.3	Confident	87.4	Confident	123 Å²	123	65.9 Å²	65.9	66%	0.658	32%	0.322	S	S	*	.	H	α-helix	trans	-95.1	-27.9	-171.8	-63.7	-27.5	0	0	0	113.7	N862 L863 W864	N862-N866 WeakPolarHBondContact O-CB 3.37Å; N862-N866 VanDerWaalsContact O-CG 3.31Å; N862-N866 PolarHBondContact O-N 2.95Å; N862-N866 PolarHBondContact O-ND2 3.14Å; L863-N866 PolarHBondContact O-N 2.93Å; W864-N866 VanDerWaalsContact C-N 3.25Å; W864-N866 PolarHBondContact O-N 2.96Å; W864-N866 VanDerWaalsContact O-N 3.13Å
867	D	92.2	Very high	88	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	30%	0.3	S	S	.	.			trans	-103.7	110.8	-179	-171.6	-30.7	0	0	0	111.5	L863 E869 Q870 R871	L863-D867 WeakPolarHBondContact O-CB 2.99Å; L863-D867 PolarHBondContact O-N 3.13Å; D867-E869 VanDerWaalsContact C-N 3.31Å; D867-E869 PolarHBondContact O-N 3.23Å; D867-E869 WeakPolarHBondContact OD1-CA 3.46Å; D867-E869 WeakPolarHBondContact OD1-CB 3.41Å; D867-E869 PolarHBondContact OD1-N 2.83Å; D867-Q870 HydrophobicContact CB-CB 3.99Å; D867-Q870 HydrophobicContact CB-CG 3.86Å; D867-Q870 VanDerWaalsContact CG-CG 3.49Å; D867-Q870 PolarHBondContact O-N 3.15Å; D867-Q870 PolarHBondContact OD1-N 2.8Å; D867-Q870 VanDerWaalsContact OD1-N 3.17Å; D867-Q870 WeakPolarHBondContact OD2-CG 3.34Å; D867-R871 PolarHBondContact O-N 2.82Å
868	R	92.8	Very high	88.9	Confident	186 Å²	186	55.7 Å²	55.7	70%	0.702	27%	0.268	S	S	*	.	H	α-helix	trans	-64.2	-34.3	-179.2	-170.3	175.8	70.4	123.3	2.3	112.8	L872	R868-L872 WeakPolarHBondContact O-CB 3.32Å; R868-L872 PolarHBondContact O-N 3.32Å
869	E	93.9	Very high	90.2	Very high	111 Å²	111	53.3 Å²	53.3	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-70.2	-42	179	-168.2	-173.9	162.4	0	0	110.5	K845 D867 L872 L873	K845-E869 IonicContact NZ-OE1 3.59Å; K845-E869 PolarHBondContact NZ-OE1 3.08Å; D867-E869 VanDerWaalsContact C-N 3.31Å; D867-E869 PolarHBondContact O-N 3.23Å; D867-E869 WeakPolarHBondContact OD1-CA 3.46Å; D867-E869 WeakPolarHBondContact OD1-CB 3.41Å; D867-E869 PolarHBondContact OD1-N 2.83Å; E869-L872 PolarHBondContact O-N 3.41Å; E869-L873 PolarHBondContact O-N 3.47Å
870	Q	94.2	Very high	91.5	Very high	27 Å²	27	44.6 Å²	44.6	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-37.2	175.4	-60.4	-63.5	-23.1	0	0	111.8	T849 L863 W864 D867 L873 L874	T849-Q870 VanDerWaalsContact CG2-OE1 3.27Å; T849-Q870 PolarHBondContact OG1-OE1 3.41Å; L863-Q870 HydrophobicContact CG-CG 4.48Å; W864-Q870 HydrophobicContact CE3-CB 3.9Å; W864-Q870 HydrophobicContact CZ3-CB 4.03Å; W864-Q870 WeakPolarHBondContact CZ3-O 3.34Å; D867-Q870 HydrophobicContact CB-CB 3.99Å; D867-Q870 HydrophobicContact CB-CG 3.86Å; D867-Q870 VanDerWaalsContact CG-CG 3.49Å; D867-Q870 PolarHBondContact O-N 3.15Å; D867-Q870 PolarHBondContact OD1-N 2.8Å; D867-Q870 VanDerWaalsContact OD1-N 3.17Å; D867-Q870 WeakPolarHBondContact OD2-CG 3.34Å; Q870-L873 PolarHBondContact O-N 3.36Å; Q870-L874 WeakPolarHBondContact O-CB 3.35Å; Q870-L874 PolarHBondContact O-N 3.33Å
871	R	94.6	Very high	92.9	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-42.8	171.6	-68.2	-160.9	-58.2	-78.4	5	113	V748 F749 E753 W864 R865 D867 L873 L874 G875	V748-R871 WeakPolarHBondContact O-CD 3.17Å; F749-R871 HydrophobicContact CD1-CB 4.5Å; F749-R871 HydrophobicContact CE1-CB 4.16Å; F749-R871 WeakPolarHBondContact CE1-O 3.48Å; E753-R871 IonicContact OE1-CZ 3.87Å; E753-R871 IonicContact OE1-NE 3.18Å; E753-R871 PolarHBondContact OE1-NE 3.44Å; E753-R871 IonicContact OE1-NH2 3.21Å; E753-R871 PolarHBondContact OE1-NH2 2.82Å; E753-R871 IonicContact OE2-NE 3.69Å; E753-R871 PolarHBondContact OE2-NE 3.03Å; W864-R871 HydrophobicContact CB-CG 4.45Å; W864-R871 WeakPolarHBondContact O-CD 3.24Å; W864-R871 WeakPolarHBondContact O-CG 3.21Å; W864-R871 PolarHBondContact O-NH1 2.69Å; W864-R871 VanDerWaalsContact O-NH1 3.15Å; R865-R871 PolarHBondContact O-NH1 3.04Å; D867-R871 PolarHBondContact O-N 2.82Å; R871-L873 VanDerWaalsContact C-N 3.29Å; R871-L873 PolarHBondContact O-N 2.91Å; R871-L874 PolarHBondContact O-N 3.05Å; R871-G875 PolarHBondContact O-N 2.86Å
872	L	96.6	Very high	94	Very high	65 Å²	65	40.7 Å²	40.7	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-60.7	-44.5	177.8	179.6	62.2	0	0	0	110.3	L826 E829 R868 E869 G875 C876	L826-L872 HydrophobicContact CD2-CD1 4.04Å; E829-L872 HydrophobicContact CB-CD1 4.03Å; E829-L872 HydrophobicContact CG-CD1 4.44Å; R868-L872 WeakPolarHBondContact O-CB 3.32Å; R868-L872 PolarHBondContact O-N 3.32Å; E869-L872 PolarHBondContact O-N 3.41Å; L872-G875 PolarHBondContact O-N 3.49Å; L872-C876 PolarHBondContact O-N 3.28Å; L872-C876 PolarHBondContact O-SG 2.92Å
873	L	97.4	Very high	94.8	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-45.7	174.3	-179.8	60.9	0	0	0	111.8	R842 K845 F846 E869 Q870 R871 C876 M877	R842-L873 HydrophobicContact CB-CD1 3.83Å; R842-L873 HydrophobicContact CG-CD1 4.09Å; K845-L873 HydrophobicContact CB-CD2 4.5Å; K845-L873 HydrophobicContact CD-CD2 4.26Å; K845-L873 HydrophobicContact CG-CD2 3.99Å; F846-L873 HydrophobicContact CB-CD1 4.47Å; F846-L873 HydrophobicContact CB-CD2 4.14Å; F846-L873 HydrophobicContact CB-CG 4.33Å; F846-L873 HydrophobicContact CD2-CD2 4.09Å; F846-L873 HydrophobicContact CD2-CG 3.96Å; E869-L873 PolarHBondContact O-N 3.47Å; Q870-L873 PolarHBondContact O-N 3.36Å; R871-L873 VanDerWaalsContact C-N 3.29Å; R871-L873 PolarHBondContact O-N 2.91Å; L873-C876 WeakPolarHBondContact O-CB 3.46Å; L873-C876 PolarHBondContact O-N 2.98Å; L873-M877 HydrophobicContact CD1-CE 4.35Å; L873-M877 WeakPolarHBondContact O-CG 3.32Å; L873-M877 PolarHBondContact O-N 2.8Å
874	L	96.8	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176	-178.9	64.9	0	0	0	111.9	F745 F749 F846 W864 Q870 R871 C876 M877 F878 V954	F745-L874 HydrophobicContact CD1-CD2 4.33Å; F745-L874 HydrophobicContact CE1-CD2 3.87Å; F749-L874 HydrophobicContact CE2-CD2 4Å; F749-L874 HydrophobicContact CE2-CG 4.46Å; F749-L874 HydrophobicContact CZ-CB 4.26Å; F749-L874 HydrophobicContact CZ-CD2 3.85Å; F749-L874 HydrophobicContact CZ-CG 3.97Å; F846-L874 HydrophobicContact CE2-CB 4.48Å; F846-L874 HydrophobicContact CE2-CD1 3.79Å; F846-L874 HydrophobicContact CZ-CD1 3.78Å; W864-L874 HydrophobicContact CB-CD2 4.31Å; W864-L874 HydrophobicContact CD2-CD2 3.88Å; W864-L874 HydrophobicContact CE3-CB 3.81Å; W864-L874 HydrophobicContact CE3-CD2 3.96Å; W864-L874 HydrophobicContact CE3-CG 4.33Å; W864-L874 HydrophobicContact CG-CD2 4.04Å; W864-L874 HydrophobicContact CZ3-CB 3.9Å; W864-L874 HydrophobicContact CZ3-CD1 4.47Å; Q870-L874 WeakPolarHBondContact O-CB 3.35Å; Q870-L874 PolarHBondContact O-N 3.33Å; R871-L874 PolarHBondContact O-N 3.05Å; L874-C876 VanDerWaalsContact C-N 3.32Å; L874-C876 PolarHBondContact O-N 3.44Å; L874-M877 PolarHBondContact O-N 2.9Å; L874-F878 HydrophobicContact CD1-CD1 4.29Å; L874-F878 HydrophobicContact CD1-CE1 3.68Å; L874-F878 HydrophobicContact CD1-CE2 4.17Å; L874-F878 HydrophobicContact CD1-CZ 3.62Å; L874-F878 HydrophobicContact CD2-CE2 4.19Å; L874-F878 HydrophobicContact CD2-CZ 4.21Å; L874-F878 HydrophobicContact CG-CD2 4.35Å; L874-F878 HydrophobicContact CG-CE1 4.31Å; L874-F878 HydrophobicContact CG-CE2 3.92Å; L874-F878 HydrophobicContact CG-CZ 3.89Å; L874-F878 WeakPolarHBondContact O-CG 3.43Å; L874-F878 PolarHBondContact O-N 3.45Å; L874-V954 HydrophobicContact CD1-CG1 4.1Å; L874-V954 HydrophobicContact CD1-CG2 4Å
875	G	97.4	Very high	95.8	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-40.1	175.9	0	0	0	0	0	112.2	R871 L872 F878 M879	R871-G875 PolarHBondContact O-N 2.86Å; L872-G875 PolarHBondContact O-N 3.49Å; G875-F878 PolarHBondContact O-N 3.4Å; G875-M879 WeakPolarHBondContact O-CG 3.16Å; G875-M879 PolarHBondContact O-N 3.44Å
876	C	98.5	Very high	96.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-42.4	173.8	-66.9	0	0	0	0	112.1	A833 R842 L872 L873 L874 F878 M879 T880	A833-C876 HydrophobicContact CB-CB 3.77Å; R842-C876 PolarHBondContact NH1-SG 3.38Å; R842-C876 VanDerWaalsContact NH1-SG 3.39Å; L872-C876 PolarHBondContact O-N 3.28Å; L872-C876 PolarHBondContact O-SG 2.92Å; L873-C876 WeakPolarHBondContact O-CB 3.46Å; L873-C876 PolarHBondContact O-N 2.98Å; L874-C876 VanDerWaalsContact C-N 3.32Å; L874-C876 PolarHBondContact O-N 3.44Å; C876-F878 VanDerWaalsContact C-N 3.33Å; C876-M879 WeakPolarHBondContact O-CB 3.22Å; C876-M879 PolarHBondContact O-N 3.05Å; C876-T880 PolarHBondContact O-N 2.87Å; C876-T880 VanDerWaalsContact O-N 3.17Å; C876-T880 PolarHBondContact O-OG1 3.37Å
877	M	98.2	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-38	175.9	-66.7	-59.4	95.8	0	0	111.8	Y839 R842 F846 L873 L874 T880 A881 I947	Y839-M877 HydrophobicContact CD2-CE 4.22Å; Y839-M877 HydrophobicContact CD2-SD 4.23Å; Y839-M877 HydrophobicContact CE2-SD 4.4Å; R842-M877 HydrophobicContact CB-CE 3.49Å; R842-M877 VanDerWaalsContact CB-CE 3.49Å; R842-M877 HydrophobicContact CG-CE 4.46Å; F846-M877 HydrophobicContact CB-CG 4.09Å; F846-M877 HydrophobicContact CB-SD 4.1Å; F846-M877 HydrophobicContact CD1-CG 3.75Å; F846-M877 HydrophobicContact CD1-SD 4.17Å; F846-M877 HydrophobicContact CD2-CG 3.74Å; F846-M877 HydrophobicContact CE1-CB 4.34Å; F846-M877 HydrophobicContact CE1-CG 4.01Å; F846-M877 HydrophobicContact CE2-CB 4.47Å; F846-M877 HydrophobicContact CE2-CG 3.99Å; F846-M877 HydrophobicContact CG-CG 3.59Å; F846-M877 HydrophobicContact CG-SD 4.14Å; F846-M877 HydrophobicContact CZ-CB 4.3Å; F846-M877 HydrophobicContact CZ-CG 4.12Å; L873-M877 HydrophobicContact CD1-CE 4.35Å; L873-M877 WeakPolarHBondContact O-CG 3.32Å; L873-M877 PolarHBondContact O-N 2.8Å; L874-M877 PolarHBondContact O-N 2.9Å; M877-T880 PolarHBondContact O-N 2.74Å; M877-A881 WeakPolarHBondContact O-CB 3.49Å; M877-A881 PolarHBondContact O-N 3.44Å; M877-I947 HydrophobicContact CB-CD1 3.96Å; M877-I947 HydrophobicContact CG-CD1 4.47Å; M877-I947 HydrophobicContact SD-CD1 4.04Å
878	F	98.1	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-39	173.7	-70.9	-11.4	0	0	0	112.5	M736 I739 F745 F749 L874 G875 C876 A881 C882 I951 F958	M736-F878 HydrophobicContact CE-CB 3.92Å; M736-F878 HydrophobicContact SD-CB 4.23Å; I739-F878 HydrophobicContact CG2-CD1 4.23Å; I739-F878 HydrophobicContact CG2-CD2 3.71Å; I739-F878 HydrophobicContact CG2-CE1 4.24Å; I739-F878 HydrophobicContact CG2-CE2 3.71Å; I739-F878 HydrophobicContact CG2-CG 3.98Å; I739-F878 HydrophobicContact CG2-CZ 3.98Å; F745-F878 HydrophobicContact CD1-CE2 4.19Å; F745-F878 HydrophobicContact CD2-CE2 4.24Å; F745-F878 HydrophobicContact CD2-CZ 4.35Å; F745-F878 HydrophobicContact CE1-CE2 4.26Å; F745-F878 HydrophobicContact CE1-CZ 4.14Å; F745-F878 HydrophobicContact CE2-CE2 4.34Å; F745-F878 AromaticContact CE2-CZ 4Å; F745-F878 HydrophobicContact CE2-CZ 4Å; F745-F878 HydrophobicContact CG-CE2 4.22Å; F745-F878 HydrophobicContact CZ-CE2 4.34Å; F745-F878 AromaticContact CZ-CZ 3.88Å; F745-F878 HydrophobicContact CZ-CZ 3.88Å; F749-F878 HydrophobicContact CE2-CD2 4.14Å; F749-F878 AromaticContact CE2-CE2 3.88Å; F749-F878 HydrophobicContact CE2-CE2 3.88Å; F749-F878 HydrophobicContact CZ-CD2 4.27Å; F749-F878 HydrophobicContact CZ-CE2 4.3Å; L874-F878 HydrophobicContact CD1-CD1 4.29Å; L874-F878 HydrophobicContact CD1-CE1 3.68Å; L874-F878 HydrophobicContact CD1-CE2 4.17Å; L874-F878 HydrophobicContact CD1-CZ 3.62Å; L874-F878 HydrophobicContact CD2-CE2 4.19Å; L874-F878 HydrophobicContact CD2-CZ 4.21Å; L874-F878 HydrophobicContact CG-CD2 4.35Å; L874-F878 HydrophobicContact CG-CE1 4.31Å; L874-F878 HydrophobicContact CG-CE2 3.92Å; L874-F878 HydrophobicContact CG-CZ 3.89Å; L874-F878 WeakPolarHBondContact O-CG 3.43Å; L874-F878 PolarHBondContact O-N 3.45Å; G875-F878 PolarHBondContact O-N 3.4Å; C876-F878 VanDerWaalsContact C-N 3.33Å; F878-A881 PolarHBondContact O-N 3.01Å; F878-C882 WeakPolarHBondContact O-CB 3.46Å; F878-C882 PolarHBondContact O-N 3.01Å; F878-C882 PolarHBondContact O-SG 2.93Å; F878-I951 HydrophobicContact CD1-CG2 4.07Å; F878-I951 HydrophobicContact CE1-CB 4.22Å; F878-I951 HydrophobicContact CE1-CG2 4.02Å; F878-F958 AromaticContact CE1-CE2 3.91Å; F878-F958 HydrophobicContact CE1-CE2 3.91Å; F878-F958 AromaticContact CZ-CE2 3.8Å; F878-F958 HydrophobicContact CZ-CE2 3.8Å; F878-F958 HydrophobicContact CZ-CZ 4.14Å
879	M	98.6	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56	-51.9	172.6	-74.5	-62.6	-62.5	0	0	110.8	M736 L757 A760 A830 A833 T834 G875 C876 A881 C882 D883	M736-M879 HydrophobicContact CE-CG 4.15Å; M736-M879 HydrophobicContact CE-SD 3.6Å; M736-M879 VanDerWaalsContact CE-SD 3.6Å; L757-M879 HydrophobicContact CD2-CG 4.01Å; L757-M879 HydrophobicContact CD2-SD 4.12Å; A760-M879 HydrophobicContact CB-CE 4.02Å; A760-M879 HydrophobicContact CB-SD 4.34Å; A830-M879 HydrophobicContact CB-CE 4.31Å; A830-M879 HydrophobicContact CB-CG 3.86Å; A830-M879 HydrophobicContact CB-SD 4.03Å; A830-M879 WeakPolarHBondContact O-CE 3.36Å; A833-M879 HydrophobicContact CB-CB 4.15Å; T834-M879 HydrophobicContact CG2-CE 3.77Å; G875-M879 WeakPolarHBondContact O-CG 3.16Å; G875-M879 PolarHBondContact O-N 3.44Å; C876-M879 WeakPolarHBondContact O-CB 3.22Å; C876-M879 PolarHBondContact O-N 3.05Å; M879-A881 PolarHBondContact O-N 3.13Å; M879-C882 PolarHBondContact O-N 3.46Å; M879-D883 WeakPolarHBondContact O-CB 3.37Å; M879-D883 PolarHBondContact O-N 2.74Å
880	T	98.2	Very high	97.3	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-43.7	176.8	-48.3	0	0	0	0	112	A833 L836 Y839 C876 M877 C882 D883 V884	A833-T880 PolarHBondContact O-OG1 2.74Å; L836-T880 HydrophobicContact CD2-CG2 4.26Å; Y839-T880 HydrophobicContact CD1-CG2 4.38Å; Y839-T880 HydrophobicContact CD2-CG2 3.79Å; Y839-T880 HydrophobicContact CE2-CG2 4.34Å; Y839-T880 HydrophobicContact CG-CG2 3.79Å; C876-T880 PolarHBondContact O-N 2.87Å; C876-T880 VanDerWaalsContact O-N 3.17Å; C876-T880 PolarHBondContact O-OG1 3.37Å; M877-T880 PolarHBondContact O-N 2.74Å; T880-C882 VanDerWaalsContact C-N 3.3Å; T880-C882 PolarHBondContact O-N 3.4Å; T880-D883 PolarHBondContact O-N 3.28Å; T880-V884 WeakPolarHBondContact O-CG2 3.45Å; T880-V884 PolarHBondContact O-N 2.88Å; T880-V884 VanDerWaalsContact O-N 3.12Å
881	A	98.5	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.7	-34.2	179.3	0	0	0	0	0	113.2	M877 F878 M879 S885 I947 Y948 I951	M877-A881 WeakPolarHBondContact O-CB 3.49Å; M877-A881 PolarHBondContact O-N 3.44Å; F878-A881 PolarHBondContact O-N 3.01Å; M879-A881 PolarHBondContact O-N 3.13Å; A881-S885 PolarHBondContact O-N 3.44Å; A881-I947 HydrophobicContact CB-CG1 3.81Å; A881-Y948 HydrophobicContact CB-CE1 4.17Å; A881-Y948 PolarHBondContact O-OH 2.89Å; A881-I951 HydrophobicContact CB-CD1 3.89Å
882	C	98.6	Very high	97.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-74.6	-40.6	177	-67.2	0	0	0	0	111.6	V732 T735 M736 F878 M879 T880 S885	V732-C882 HydrophobicContact CG1-CB 3.77Å; T735-C882 HydrophobicContact CG2-CB 4.34Å; M736-C882 WeakPolarHBondContact CA-SG 3.46Å; M736-C882 HydrophobicContact CB-CB 4.47Å; M736-C882 PolarHBondContact N-SG 3.03Å; F878-C882 WeakPolarHBondContact O-CB 3.46Å; F878-C882 PolarHBondContact O-N 3.01Å; F878-C882 PolarHBondContact O-SG 2.93Å; M879-C882 PolarHBondContact O-N 3.46Å; T880-C882 VanDerWaalsContact C-N 3.3Å; T880-C882 PolarHBondContact O-N 3.4Å; C882-S885 WeakPolarHBondContact O-CB 3.35Å; C882-S885 PolarHBondContact O-N 3.5Å; C882-S885 VanDerWaalsContact O-N 3.14Å; C882-S885 PolarHBondContact O-OG 3.25Å
883	D	98.3	Very high	97.2	Very high	26 Å²	26	5.9 Å²	5.9	14%	0.139	4%	0.037	C	C	.	.	H	α-helix	trans	-61.2	-47.8	179.5	-176.2	19.3	0	0	0	111.4	H728 H764 M879 T880 S885	H728-D883 IonicContact CE1-OD1 3.45Å; H728-D883 PolarHBondContact CE1-OD1 3.33Å; H728-D883 IonicContact NE2-OD1 2.91Å; H728-D883 PolarHBondContact NE2-OD1 3.4Å; H764-D883 IonicContact NE2-OD1 2.66Å; M879-D883 WeakPolarHBondContact O-CB 3.37Å; M879-D883 PolarHBondContact O-N 2.74Å; T880-D883 PolarHBondContact O-N 3.28Å; D883-S885 PolarHBondContact O-N 3.46Å
884	V	97.6	Very high	97.1	Very high	15 Å²	15	5.5 Å²	5.5	9%	0.091	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-81.5	8.5	176.4	-51.9	0	0	0	0	114.2	T880 A886 I887 F939 I943 I947 Y948	T880-V884 WeakPolarHBondContact O-CG2 3.45Å; T880-V884 PolarHBondContact O-N 2.88Å; T880-V884 VanDerWaalsContact O-N 3.12Å; V884-A886 PolarHBondContact O-N 3Å; V884-A886 VanDerWaalsContact O-N 3.09Å; V884-I887 WeakPolarHBondContact O-CG2 3.46Å; V884-I887 PolarHBondContact O-N 3.22Å; V884-F939 HydrophobicContact CG1-CZ 4.28Å; V884-I943 HydrophobicContact CG1-CG2 4.45Å; V884-I947 HydrophobicContact CG2-CG2 4.23Å; V884-Y948 HydrophobicContact CG2-CE2 4.28Å
885	S	98	Very high	96.9	Very high	3 Å²	3	6 Å²	6	2%	0.021	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.7	-170.4	69.3	0	0	0	0	115.9	T735 A881 C882 D883 I887 T888 Y948	T735-S885 WeakPolarHBondContact OG1-CB 3.31Å; T735-S885 PolarHBondContact OG1-OG 2.88Å; A881-S885 PolarHBondContact O-N 3.44Å; C882-S885 WeakPolarHBondContact O-CB 3.35Å; C882-S885 PolarHBondContact O-N 3.5Å; C882-S885 VanDerWaalsContact O-N 3.14Å; C882-S885 PolarHBondContact O-OG 3.25Å; D883-S885 PolarHBondContact O-N 3.46Å; S885-I887 PolarHBondContact O-N 2.9Å; S885-I887 VanDerWaalsContact O-N 3.09Å; S885-T888 WeakPolarHBondContact O-CB 3.47Å; S885-T888 PolarHBondContact O-N 3.33Å; S885-T888 PolarHBondContact O-OG1 2.7Å; S885-Y948 VanDerWaalsContact CA-OH 3.22Å; S885-Y948 WeakPolarHBondContact CA-OH 3.39Å; S885-Y948 PolarHBondContact N-OH 3.42Å
886	A	96.5	Very high	96.6	Very high	21 Å²	21	6 Å²	6	17%	0.174	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-51.9	-32.5	172.3	0	0	0	0	0	112.5	V884 T888 K889 Q894 T897	V884-A886 PolarHBondContact O-N 3Å; V884-A886 VanDerWaalsContact O-N 3.09Å; A886-T888 PolarHBondContact O-N 3Å; A886-K889 PolarHBondContact O-N 3.36Å; A886-Q894 WeakPolarHBondContact O-CG 3.32Å; A886-T897 HydrophobicContact CB-CG2 3.59Å
887	I	97.6	Very high	96.3	Very high	6 Å²	6	6.6 Å²	6.6	3%	0.031	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-68.9	-12.8	179.4	-158.4	50.5	0	0	0	114.2	V884 S885 Q894 I940 C944 Y948 N968	V884-I887 WeakPolarHBondContact O-CG2 3.46Å; V884-I887 PolarHBondContact O-N 3.22Å; S885-I887 PolarHBondContact O-N 2.9Å; S885-I887 VanDerWaalsContact O-N 3.09Å; I887-Q894 HydrophobicContact CD1-CG 3.91Å; I887-Q894 VanDerWaalsContact CD1-NE2 3.31Å; I887-I940 HydrophobicContact CD1-CD1 3.72Å; I887-I940 HydrophobicContact CD1-CG1 3.71Å; I887-I940 HydrophobicContact CG1-CD1 4.2Å; I887-I940 HydrophobicContact CG1-CG1 3.74Å; I887-C944 HydrophobicContact CG1-CB 4.47Å; I887-C944 HydrophobicContact CG2-CB 3.89Å; I887-Y948 HydrophobicContact CG2-CE2 3.64Å; I887-N968 HydrophobicContact CD1-CB 4.36Å; I887-N968 PolarHBondContact O-ND2 2.67Å
888	T	97.9	Very high	96.1	Very high	10 Å²	10	6.9 Å²	6.9	6%	0.061	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-98.4	-16.7	-179.1	71.7	0	0	0	0	113	S885 A886 Y948 L961 G964 C965	S885-T888 WeakPolarHBondContact O-CB 3.47Å; S885-T888 PolarHBondContact O-N 3.33Å; S885-T888 PolarHBondContact O-OG1 2.7Å; A886-T888 PolarHBondContact O-N 3Å; T888-Y948 HydrophobicContact CG2-CD1 4.49Å; T888-Y948 HydrophobicContact CG2-CD2 4.1Å; T888-Y948 HydrophobicContact CG2-CE1 3.89Å; T888-Y948 HydrophobicContact CG2-CE2 3.4Å; T888-Y948 VanDerWaalsContact CG2-CE2 3.4Å; T888-Y948 WeakPolarHBondContact CG2-OH 3.47Å; T888-L961 HydrophobicContact CG2-CB 4.12Å; T888-L961 HydrophobicContact CG2-CD2 3.98Å; T888-L961 VanDerWaalsContact CG2-O 3.3Å; T888-L961 WeakPolarHBondContact CG2-O 3.49Å; T888-L961 WeakPolarHBondContact OG1-CD2 3.34Å; T888-G964 WeakPolarHBondContact O-CA 3.31Å; T888-C965 HydrophobicContact CG2-CB 4.32Å
889	K	96.6	Very high	95.8	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.017	4%	0.044	C	C	.	.	S	Bend	trans	-68.1	164.3	-174.6	-59.2	-56.8	-175	171	0	111.9	F671 F673 A886 W891 V893 R967 N968	F671-K889 WeakPolarHBondContact O-CD 3.37Å; F671-K889 PolarHBondContact O-NZ 2.95Å; F673-K889 PolarHBondContact O-NZ 2.96Å; A886-K889 PolarHBondContact O-N 3.36Å; K889-W891 PolarHBondContact O-N 3.46Å; K889-V893 HydrophobicContact CB-CB 4.14Å; K889-V893 HydrophobicContact CB-CG1 4.15Å; K889-R967 PolarHBondContact O-NH2 3.48Å; K889-N968 PolarHBondContact O-ND2 2.93Å
890	P	95.9	Very high	95.5	Very high	8 Å²	8	8.2 Å²	8.2	5%	0.052	5%	0.048	C	C	.	.			trans	-49.6	142.2	174.6	-28.4	36.5	0	0	0	111.7	S672 P892 V893 Q894 L988	S672-P890 WeakPolarHBondContact O-CD 3.41Å; P890-P892 VanDerWaalsContact C-CD 3.43Å; P890-V893 HydrophobicContact CB-CG2 4.34Å; P890-V893 WeakPolarHBondContact O-CA 3.49Å; P890-V893 WeakPolarHBondContact O-CB 3.38Å; P890-V893 PolarHBondContact O-N 3.38Å; P890-Q894 PolarHBondContact O-N 2.79Å; P890-L988 HydrophobicContact CB-CD2 4.23Å
891	W	95.5	Very high	95.2	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-50.9	-44.9	-171.1	167.5	-116	0	0	0	114.2	K889 V893 Q894 K895 C971 W972 L975 V981 Y986	K889-W891 PolarHBondContact O-N 3.46Å; W891-V893 VanDerWaalsContact C-N 3.25Å; W891-V893 PolarHBondContact O-N 2.82Å; W891-Q894 PolarHBondContact O-N 2.82Å; W891-K895 HydrophobicContact CD2-CB 4.41Å; W891-K895 HydrophobicContact CH2-CB 4.23Å; W891-K895 HydrophobicContact CH2-CG 4.4Å; W891-K895 HydrophobicContact CZ2-CB 4.09Å; W891-K895 HydrophobicContact CZ2-CD 4.04Å; W891-K895 HydrophobicContact CZ2-CG 4.13Å; W891-K895 HydrophobicContact CZ3-CB 4.46Å; W891-K895 WeakPolarHBondContact O-CB 3.34Å; W891-K895 PolarHBondContact O-N 3.4Å; W891-C971 HydrophobicContact CD2-CB 3.69Å; W891-C971 HydrophobicContact CE3-CB 3.36Å; W891-C971 HydrophobicContact CH2-CB 3.74Å; W891-C971 HydrophobicContact CZ2-CB 4.03Å; W891-C971 HydrophobicContact CZ3-CB 3.38Å; W891-W972 HydrophobicContact CH2-CD2 4.09Å; W891-W972 AromaticContact CH2-CE2 3.93Å; W891-W972 HydrophobicContact CH2-CE3 4.38Å; W891-W972 HydrophobicContact CH2-CH2 4.43Å; W891-W972 HydrophobicContact CH2-CZ2 4.08Å; W891-W972 HydrophobicContact CZ3-CD2 4.2Å; W891-W972 AromaticContact CZ3-CE2 3.78Å; W891-W972 HydrophobicContact CZ3-CG 4.36Å; W891-W972 HydrophobicContact CZ3-CZ2 4.15Å; W891-W972 AromaticContact CZ3-NE1 3.68Å; W891-L975 HydrophobicContact CH2-CD1 3.63Å; W891-L975 HydrophobicContact CZ2-CD1 3.68Å; W891-L975 HydrophobicContact CZ2-CG 4.39Å; W891-V981 HydrophobicContact CG-CG1 4.37Å; W891-V981 HydrophobicContact CZ2-CG2 3.84Å; W891-Y986 AromaticContact CD1-CD1 3.7Å; W891-Y986 AromaticContact CD1-CE1 3.84Å; W891-Y986 HydrophobicContact CG-CD1 4.49Å; W891-Y986 PolarHBondContact N-O 3.11Å
892	P	93.4	Very high	94.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.2	-36.8	178.1	-20.3	30	0	0	0	113	P890 L896 Y986 L1035 A1040 I1043 A1044	P890-P892 VanDerWaalsContact C-CD 3.43Å; P892-L896 WeakPolarHBondContact O-CB 3.35Å; P892-L896 PolarHBondContact O-N 3.35Å; P892-Y986 HydrophobicContact CG-CD2 4.33Å; P892-L1035 HydrophobicContact CB-CD1 4.23Å; P892-A1040 HydrophobicContact CB-CB 4.36Å; P892-A1040 HydrophobicContact CG-CB 3.8Å; P892-I1043 HydrophobicContact CB-CB 4.08Å; P892-I1043 HydrophobicContact CB-CG2 3.97Å; P892-I1043 WeakPolarHBondContact O-CG2 3.3Å; P892-A1044 HydrophobicContact CG-CB 4.32Å
893	V	93.7	Very high	94.6	Very high	6 Å²	6	10.6 Å²	10.6	4%	0.036	6%	0.062	C	C	.	.	H	α-helix	trans	-69	-49.1	176.1	-173.1	0	0	0	0	110	T674 K889 P890 W891 K895 L896 T897 L1035	T674-V893 HydrophobicContact CG2-CG2 4.5Å; T674-V893 WeakPolarHBondContact OG1-CG2 3.35Å; K889-V893 HydrophobicContact CB-CB 4.14Å; K889-V893 HydrophobicContact CB-CG1 4.15Å; P890-V893 HydrophobicContact CB-CG2 4.34Å; P890-V893 WeakPolarHBondContact O-CA 3.49Å; P890-V893 WeakPolarHBondContact O-CB 3.38Å; P890-V893 PolarHBondContact O-N 3.38Å; W891-V893 VanDerWaalsContact C-N 3.25Å; W891-V893 PolarHBondContact O-N 2.82Å; V893-K895 VanDerWaalsContact C-N 3.33Å; V893-K895 PolarHBondContact O-N 3.3Å; V893-L896 WeakPolarHBondContact O-CB 3.02Å; V893-L896 PolarHBondContact O-N 2.93Å; V893-T897 WeakPolarHBondContact O-CB 3.21Å; V893-T897 PolarHBondContact O-N 2.92Å; V893-T897 PolarHBondContact O-OG1 3.45Å; V893-T897 VanDerWaalsContact O-OG1 3.07Å; V893-L1035 HydrophobicContact CG2-CD1 3.24Å; V893-L1035 HydrophobicContact CG2-CG 4.38Å
894	Q	95	Very high	94.4	Very high	5 Å²	5	9.5 Å²	9.5	2%	0.023	6%	0.056	C	C	.	.	H	α-helix	trans	-61.1	-43.7	-177.6	-173	-75.2	-28.8	0	0	111.1	A886 I887 P890 W891 L896 T897 A898 N968	A886-Q894 WeakPolarHBondContact O-CG 3.32Å; I887-Q894 HydrophobicContact CD1-CG 3.91Å; I887-Q894 VanDerWaalsContact CD1-NE2 3.31Å; P890-Q894 PolarHBondContact O-N 2.79Å; W891-Q894 PolarHBondContact O-N 2.82Å; Q894-L896 PolarHBondContact O-N 2.82Å; Q894-T897 PolarHBondContact O-N 2.96Å; Q894-A898 WeakPolarHBondContact O-CB 3.49Å; Q894-A898 PolarHBondContact O-N 3.11Å; Q894-N968 HydrophobicContact CG-CB 4.31Å
895	K	92.7	Very high	94.2	Very high	11 Å²	11	10.8 Å²	10.8	5%	0.048	6%	0.061	C	C	.	.	H	α-helix	trans	-59.4	-48.4	177.4	-176	-170.8	174.3	-162.7	0	111.2	W891 V893 T897 A898 E899 I1043 A1044 S1046	W891-K895 HydrophobicContact CD2-CB 4.41Å; W891-K895 HydrophobicContact CH2-CB 4.23Å; W891-K895 HydrophobicContact CH2-CG 4.4Å; W891-K895 HydrophobicContact CZ2-CB 4.09Å; W891-K895 HydrophobicContact CZ2-CD 4.04Å; W891-K895 HydrophobicContact CZ2-CG 4.13Å; W891-K895 HydrophobicContact CZ3-CB 4.46Å; W891-K895 WeakPolarHBondContact O-CB 3.34Å; W891-K895 PolarHBondContact O-N 3.4Å; V893-K895 VanDerWaalsContact C-N 3.33Å; V893-K895 PolarHBondContact O-N 3.3Å; K895-T897 VanDerWaalsContact C-N 3.29Å; K895-T897 PolarHBondContact O-N 3.4Å; K895-A898 PolarHBondContact O-N 2.84Å; K895-E899 WeakPolarHBondContact O-CG 3.19Å; K895-E899 PolarHBondContact O-N 2.76Å; K895-E899 VanDerWaalsContact O-N 3.11Å; K895-I1043 PolarHBondContact NZ-O 3.11Å; K895-A1044 PolarHBondContact NZ-O 2.94Å; K895-S1046 PolarHBondContact NZ-O 2.94Å; K895-S1046 PolarHBondContact NZ-OG 3.46Å
896	L	91.5	Very high	94	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-57.7	-43.7	175.5	-177.1	74.6	0	0	0	111.3	V676 P892 V893 Q894 E899 M900 I1043 S1051 R1055	V676-L896 HydrophobicContact CG2-CD2 4.31Å; P892-L896 WeakPolarHBondContact O-CB 3.35Å; P892-L896 PolarHBondContact O-N 3.35Å; V893-L896 WeakPolarHBondContact O-CB 3.02Å; V893-L896 PolarHBondContact O-N 2.93Å; Q894-L896 PolarHBondContact O-N 2.82Å; L896-E899 PolarHBondContact O-N 3.17Å; L896-M900 HydrophobicContact CG-CE 4.22Å; L896-M900 WeakPolarHBondContact O-CG 3.36Å; L896-M900 PolarHBondContact O-N 3.35Å; L896-M900 VanDerWaalsContact O-N 3.15Å; L896-I1043 HydrophobicContact CB-CG2 4.31Å; L896-S1051 WeakPolarHBondContact CD1-O 3.41Å; L896-R1055 HydrophobicContact CD1-CB 4.39Å; L896-R1055 HydrophobicContact CD2-CB 4.27Å; L896-R1055 HydrophobicContact CD2-CG 4.15Å
897	T	93.2	Very high	93.8	Very high	17 Å²	17	13.8 Å²	13.8	10%	0.104	7%	0.071	C	C	.	.	H	α-helix	trans	-65.8	-45.8	179.5	-61.3	0	0	0	0	112.9	Y723 A886 V893 Q894 K895 E899 M900 V901	Y723-T897 HydrophobicContact CD2-CG2 3.98Å; Y723-T897 HydrophobicContact CE2-CG2 3.3Å; A886-T897 HydrophobicContact CB-CG2 3.59Å; V893-T897 WeakPolarHBondContact O-CB 3.21Å; V893-T897 PolarHBondContact O-N 2.92Å; V893-T897 PolarHBondContact O-OG1 3.45Å; V893-T897 VanDerWaalsContact O-OG1 3.07Å; Q894-T897 PolarHBondContact O-N 2.96Å; K895-T897 VanDerWaalsContact C-N 3.29Å; K895-T897 PolarHBondContact O-N 3.4Å; T897-E899 VanDerWaalsContact C-N 3.26Å; T897-E899 PolarHBondContact O-N 2.84Å; T897-M900 WeakPolarHBondContact O-CB 3.35Å; T897-M900 PolarHBondContact O-N 3.01Å; T897-V901 HydrophobicContact CG2-CG2 4.41Å; T897-V901 WeakPolarHBondContact O-CG2 3.42Å; T897-V901 PolarHBondContact O-N 3.06Å
898	A	93.1	Very high	93.6	Very high	6 Å²	6	13.6 Å²	13.6	5%	0.05	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-35.8	176.9	0	0	0	0	0	112.4	Q894 K895 A902 W972	Q894-A898 WeakPolarHBondContact O-CB 3.49Å; Q894-A898 PolarHBondContact O-N 3.11Å; K895-A898 PolarHBondContact O-N 2.84Å; A898-A902 WeakPolarHBondContact O-CB 3.25Å; A898-A902 PolarHBondContact O-N 2.91Å; A898-W972 HydrophobicContact CB-CH2 3.84Å; A898-W972 HydrophobicContact CB-CZ2 3.4Å
899	E	91.4	Very high	93.4	Very high	9 Å²	9	13.1 Å²	13.1	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-66.9	-36.5	173.5	-71.7	179.8	-177.3	0	0	112.8	K895 L896 T897 N903 P1048 F1049 S1051	K895-E899 WeakPolarHBondContact O-CG 3.19Å; K895-E899 PolarHBondContact O-N 2.76Å; K895-E899 VanDerWaalsContact O-N 3.11Å; L896-E899 PolarHBondContact O-N 3.17Å; T897-E899 VanDerWaalsContact C-N 3.26Å; T897-E899 PolarHBondContact O-N 2.84Å; E899-N903 WeakPolarHBondContact O-CB 3.2Å; E899-N903 VanDerWaalsContact O-CG 3.27Å; E899-N903 PolarHBondContact O-N 2.84Å; E899-N903 PolarHBondContact O-ND2 2.83Å; E899-P1048 WeakPolarHBondContact OE1-CA 3.43Å; E899-F1049 PolarHBondContact OE1-N 3.39Å; E899-F1049 VanDerWaalsContact OE1-N 3.07Å; E899-F1049 PolarHBondContact OE2-N 3.06Å; E899-S1051 PolarHBondContact OE1-OG 3.33Å; E899-S1051 WeakPolarHBondContact OE2-CB 3.42Å; E899-S1051 PolarHBondContact OE2-N 3.09Å; E899-S1051 PolarHBondContact OE2-OG 2.92Å
900	M	92.4	Very high	93.2	Very high	18 Å²	18	16 Å²	16	9%	0.089	8%	0.082	C	C	.	.	H	α-helix	trans	-66.6	-46.6	174.6	-69.5	-179.4	-63.9	0	0	111.1	T722 Y723 L896 T897 A902 N903 E904	T722-M900 HydrophobicContact CG2-CB 4.22Å; T722-M900 VanDerWaalsContact CG2-O 3.3Å; T722-M900 WeakPolarHBondContact CG2-O 3.28Å; Y723-M900 HydrophobicContact CD2-CB 4.31Å; L896-M900 HydrophobicContact CG-CE 4.22Å; L896-M900 WeakPolarHBondContact O-CG 3.36Å; L896-M900 PolarHBondContact O-N 3.35Å; L896-M900 VanDerWaalsContact O-N 3.15Å; T897-M900 WeakPolarHBondContact O-CB 3.35Å; T897-M900 PolarHBondContact O-N 3.01Å; M900-A902 VanDerWaalsContact C-N 3.33Å; M900-A902 PolarHBondContact O-N 2.91Å; M900-N903 PolarHBondContact O-N 3.02Å; M900-E904 PolarHBondContact O-N 3.33Å
901	V	93	Very high	93	Very high	25 Å²	25	17.8 Å²	17.8	15%	0.152	9%	0.092	C	C	.	.	H	α-helix	trans	-56.6	-48.6	175.9	175	0	0	0	0	110.5	Y723 T897 N903 E904 F905	Y723-V901 HydrophobicContact CD1-CB 4.49Å; Y723-V901 HydrophobicContact CD1-CG2 3.5Å; Y723-V901 HydrophobicContact CD2-CG2 3.69Å; Y723-V901 HydrophobicContact CE1-CG2 3.62Å; Y723-V901 HydrophobicContact CE2-CG2 3.83Å; Y723-V901 HydrophobicContact CG-CB 4.43Å; Y723-V901 HydrophobicContact CG-CG2 3.51Å; T897-V901 HydrophobicContact CG2-CG2 4.41Å; T897-V901 WeakPolarHBondContact O-CG2 3.42Å; T897-V901 PolarHBondContact O-N 3.06Å; V901-N903 PolarHBondContact O-N 3.16Å; V901-E904 PolarHBondContact O-N 2.77Å; V901-F905 HydrophobicContact CG1-CD2 3.93Å; V901-F905 HydrophobicContact CG1-CE1 4.3Å; V901-F905 HydrophobicContact CG1-CE2 3.52Å; V901-F905 HydrophobicContact CG1-CG 4.49Å; V901-F905 HydrophobicContact CG1-CZ 3.73Å; V901-F905 WeakPolarHBondContact O-CB 3.12Å; V901-F905 WeakPolarHBondContact O-CG 3.35Å; V901-F905 PolarHBondContact O-N 3.46Å
902	A	92	Very high	92.8	Very high	3 Å²	3	18 Å²	18	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-39.8	179.7	0	0	0	0	0	113	A898 M900 F905 F906 L932 F1049	A898-A902 WeakPolarHBondContact O-CB 3.25Å; A898-A902 PolarHBondContact O-N 2.91Å; M900-A902 VanDerWaalsContact C-N 3.33Å; M900-A902 PolarHBondContact O-N 2.91Å; A902-F905 PolarHBondContact O-N 3.27Å; A902-F906 HydrophobicContact CB-CE2 4.33Å; A902-F906 HydrophobicContact CB-CZ 4.4Å; A902-F906 WeakPolarHBondContact O-CB 3.28Å; A902-F906 WeakPolarHBondContact O-CD1 3.37Å; A902-F906 VanDerWaalsContact O-CD2 3.26Å; A902-F906 WeakPolarHBondContact O-CD2 3.3Å; A902-F906 WeakPolarHBondContact O-CG 3.44Å; A902-F906 PolarHBondContact O-N 3.11Å; A902-L932 HydrophobicContact CB-CD1 3.37Å; A902-L932 HydrophobicContact CB-CD2 4.42Å; A902-F1049 HydrophobicContact CB-CE1 4.09Å
903	N	92	Very high	92.7	Very high	24 Å²	24	20.7 Å²	20.7	13%	0.128	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-40.1	176.7	-78.5	-42.6	0	0	0	112.1	T722 E899 M900 V901 F906 E907	T722-N903 HydrophobicContact CG2-CB 3.87Å; E899-N903 WeakPolarHBondContact O-CB 3.2Å; E899-N903 VanDerWaalsContact O-CG 3.27Å; E899-N903 PolarHBondContact O-N 2.84Å; E899-N903 PolarHBondContact O-ND2 2.83Å; M900-N903 PolarHBondContact O-N 3.02Å; V901-N903 PolarHBondContact O-N 3.16Å; N903-F906 PolarHBondContact O-N 3.5Å; N903-E907 VanDerWaalsContact O-CG 3.31Å; N903-E907 WeakPolarHBondContact O-CG 3.39Å; N903-E907 PolarHBondContact O-N 3Å
904	E	93.2	Very high	92.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-43	174.7	-159.4	179.8	97.5	0	0	111.7	T722 Y723 H724 H768 M900 V901 F906 E907 Q908	T722-E904 PolarHBondContact N-OE2 3.43Å; Y723-E904 WeakPolarHBondContact CA-OE2 3.46Å; Y723-E904 PolarHBondContact N-OE2 3.37Å; H724-E904 IonicContact CE1-OE1 2.72Å; H724-E904 IonicContact CG-OE1 2.74Å; H724-E904 PolarHBondContact N-OE2 2.95Å; H724-E904 IonicContact ND1-OE1 3.81Å; H724-E904 PolarHBondContact ND1-OE1 3.34Å; H724-E904 IonicContact ND1-OE2 3.1Å; H768-E904 IonicContact CE1-OE1 3.48Å; M900-E904 PolarHBondContact O-N 3.33Å; V901-E904 PolarHBondContact O-N 2.77Å; E904-F906 VanDerWaalsContact C-N 3.31Å; E904-F906 PolarHBondContact O-N 3.37Å; E904-E907 WeakPolarHBondContact O-CB 3.3Å; E904-E907 PolarHBondContact O-N 2.67Å; E904-E907 VanDerWaalsContact O-N 3.14Å; E904-Q908 PolarHBondContact O-N 2.9Å
905	F	93.4	Very high	92.1	Very high	42 Å²	42	34.9 Å²	34.9	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-38.6	174	-75.5	-4.6	0	0	0	112.8	V901 A902 Q908 G909 L923 M924	V901-F905 HydrophobicContact CG1-CD2 3.93Å; V901-F905 HydrophobicContact CG1-CE1 4.3Å; V901-F905 HydrophobicContact CG1-CE2 3.52Å; V901-F905 HydrophobicContact CG1-CG 4.49Å; V901-F905 HydrophobicContact CG1-CZ 3.73Å; V901-F905 WeakPolarHBondContact O-CB 3.12Å; V901-F905 WeakPolarHBondContact O-CG 3.35Å; V901-F905 PolarHBondContact O-N 3.46Å; A902-F905 PolarHBondContact O-N 3.27Å; F905-Q908 PolarHBondContact O-N 2.87Å; F905-G909 PolarHBondContact O-N 3.23Å; F905-L923 HydrophobicContact CD2-CD1 4.22Å; F905-L923 HydrophobicContact CD2-CD2 3.89Å; F905-L923 HydrophobicContact CD2-CG 3.69Å; F905-L923 HydrophobicContact CE2-CD1 4.49Å; F905-L923 HydrophobicContact CE2-CD2 3.69Å; F905-L923 HydrophobicContact CE2-CG 4.02Å; F905-M924 WeakPolarHBondContact CA-SD 3.2Å; F905-M924 HydrophobicContact CB-CE 4.37Å; F905-M924 HydrophobicContact CB-SD 3.29Å; F905-M924 WeakPolarHBondContact CB-SD 3.2Å; F905-M924 HydrophobicContact CD1-CE 3.74Å; F905-M924 HydrophobicContact CD1-SD 3.74Å; F905-M924 HydrophobicContact CD2-CE 4.35Å; F905-M924 HydrophobicContact CD2-SD 4.2Å; F905-M924 HydrophobicContact CE1-CE 4.05Å; F905-M924 HydrophobicContact CG-CE 3.9Å; F905-M924 HydrophobicContact CG-SD 3.48Å; F905-M924 WeakPolarHBondContact CG-SD 3.2Å; F905-M924 HydrophobicContact CZ-CE 4.47Å; F905-M924 VanDerWaalsContact O-SD 3.35Å
906	F	93.7	Very high	91.8	Very high	3 Å²	3	37 Å²	37	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-37.8	173.3	-61.8	-23.9	0	0	0	112.5	A902 N903 E904 Q908 G909 D910 D925 R926 L932 F1049	A902-F906 HydrophobicContact CB-CE2 4.33Å; A902-F906 HydrophobicContact CB-CZ 4.4Å; A902-F906 WeakPolarHBondContact O-CB 3.28Å; A902-F906 WeakPolarHBondContact O-CD1 3.37Å; A902-F906 VanDerWaalsContact O-CD2 3.26Å; A902-F906 WeakPolarHBondContact O-CD2 3.3Å; A902-F906 WeakPolarHBondContact O-CG 3.44Å; A902-F906 PolarHBondContact O-N 3.11Å; N903-F906 PolarHBondContact O-N 3.5Å; E904-F906 VanDerWaalsContact C-N 3.31Å; E904-F906 PolarHBondContact O-N 3.37Å; F906-Q908 VanDerWaalsContact C-N 3.34Å; F906-Q908 PolarHBondContact O-N 3.04Å; F906-G909 PolarHBondContact O-N 2.7Å; F906-D910 WeakPolarHBondContact O-CB 3.48Å; F906-D910 PolarHBondContact O-N 3.26Å; F906-D925 WeakPolarHBondContact CE1-O 3.49Å; F906-R926 HydrophobicContact CB-CB 4.1Å; F906-R926 HydrophobicContact CB-CG 4.41Å; F906-R926 HydrophobicContact CD1-CB 4.23Å; F906-R926 HydrophobicContact CD2-CB 4.13Å; F906-R926 HydrophobicContact CD2-CG 3.9Å; F906-R926 HydrophobicContact CE2-CG 4.35Å; F906-R926 HydrophobicContact CG-CB 3.9Å; F906-R926 HydrophobicContact CG-CG 4.17Å; F906-L932 HydrophobicContact CE1-CD2 4.5Å; F906-L932 HydrophobicContact CE2-CD1 4.49Å; F906-L932 HydrophobicContact CZ-CD1 4.03Å; F906-L932 HydrophobicContact CZ-CD2 4.18Å; F906-L932 HydrophobicContact CZ-CG 4.25Å; F906-F1049 HydrophobicContact CE2-CD1 4.38Å; F906-F1049 AromaticContact CE2-CE1 3.6Å; F906-F1049 HydrophobicContact CE2-CE1 3.6Å; F906-F1049 AromaticContact CE2-CZ 3.99Å; F906-F1049 HydrophobicContact CE2-CZ 3.99Å; F906-F1049 HydrophobicContact CZ-CE1 4.27Å; F906-F1049 HydrophobicContact CZ-CZ 4.34Å
907	E	93.2	Very high	91.6	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-42.1	173.4	-71.6	161.4	-174.9	0	0	111.4	T722 N903 E904 L911	T722-E907 PolarHBondContact OG1-OE1 2.95Å; T722-E907 VanDerWaalsContact OG1-OE1 3.1Å; T722-E907 PolarHBondContact OG1-OE2 3.36Å; N903-E907 VanDerWaalsContact O-CG 3.31Å; N903-E907 WeakPolarHBondContact O-CG 3.39Å; N903-E907 PolarHBondContact O-N 3Å; E904-E907 WeakPolarHBondContact O-CB 3.3Å; E904-E907 PolarHBondContact O-N 2.67Å; E904-E907 VanDerWaalsContact O-N 3.14Å; E907-L911 WeakPolarHBondContact O-CG 3.45Å; E907-L911 PolarHBondContact O-N 3.37Å; E907-L911 VanDerWaalsContact O-N 3.14Å
908	Q	92.8	Very high	91.3	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-46.5	171.3	178.8	-177.6	-42.8	0	0	111.8	T771 D772 F775 E904 F905 F906 D910 L911 E912	T771-Q908 HydrophobicContact CG2-CG 4.27Å; D772-Q908 VanDerWaalsContact CG-NE2 3.3Å; D772-Q908 PolarHBondContact OD1-NE2 3.44Å; D772-Q908 PolarHBondContact OD2-NE2 2.96Å; D772-Q908 VanDerWaalsContact OD2-NE2 3.11Å; F775-Q908 HydrophobicContact CB-CG 4.43Å; F775-Q908 HydrophobicContact CD2-CG 3.98Å; F775-Q908 HydrophobicContact CG-CG 4.33Å; E904-Q908 PolarHBondContact O-N 2.9Å; F905-Q908 PolarHBondContact O-N 2.87Å; F906-Q908 VanDerWaalsContact C-N 3.34Å; F906-Q908 PolarHBondContact O-N 3.04Å; Q908-D910 VanDerWaalsContact C-N 3.28Å; Q908-D910 PolarHBondContact O-N 3.5Å; Q908-L911 CarbonylContact O-C 3.18Å; Q908-L911 WeakPolarHBondContact O-CA 3.49Å; Q908-L911 WeakPolarHBondContact O-CB 3.45Å; Q908-L911 PolarHBondContact O-N 3.19Å; Q908-L911 VanDerWaalsContact O-N 3.1Å; Q908-E912 HydrophobicContact CG-CG 4.48Å; Q908-E912 PolarHBondContact O-N 2.7Å
909	G	93.2	Very high	91	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-36.4	179.8	0	0	0	0	0	113.1	F905 F906 E912 K913 M924	F905-G909 PolarHBondContact O-N 3.23Å; F906-G909 PolarHBondContact O-N 2.7Å; G909-E912 PolarHBondContact O-N 2.72Å; G909-K913 WeakPolarHBondContact O-CG 3.25Å; G909-K913 PolarHBondContact O-N 3.11Å; G909-M924 WeakPolarHBondContact CA-O 3.49Å
910	D	93.2	Very high	90.7	Very high	63 Å²	63	51.8 Å²	51.8	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-64.3	-41.2	173.3	-66.9	-27.1	0	0	0	110.7	F906 Q908 K913 E914 R926	F906-D910 WeakPolarHBondContact O-CB 3.48Å; F906-D910 PolarHBondContact O-N 3.26Å; Q908-D910 VanDerWaalsContact C-N 3.28Å; Q908-D910 PolarHBondContact O-N 3.5Å; D910-K913 PolarHBondContact O-N 2.88Å; D910-E914 WeakPolarHBondContact O-CB 3.32Å; D910-E914 PolarHBondContact O-N 3.4Å; D910-R926 IonicContact OD2-CZ 3.77Å; D910-R926 IonicContact OD2-NE 2.87Å; D910-R926 PolarHBondContact OD2-NE 3.37Å; D910-R926 IonicContact OD2-NH2 3.08Å; D910-R926 PolarHBondContact OD2-NH2 2.8Å
911	L	91.3	Very high	90.4	Very high	47 Å²	47	54 Å²	54	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-37.1	173.3	-69.4	171.1	0	0	0	112.9	T771 F775 E907 Q908 E914 R915	T771-L911 HydrophobicContact CG2-CD1 4.35Å; F775-L911 HydrophobicContact CE2-CB 4.13Å; F775-L911 HydrophobicContact CZ-CB 4.19Å; E907-L911 WeakPolarHBondContact O-CG 3.45Å; E907-L911 PolarHBondContact O-N 3.37Å; E907-L911 VanDerWaalsContact O-N 3.14Å; Q908-L911 CarbonylContact O-C 3.18Å; Q908-L911 WeakPolarHBondContact O-CA 3.49Å; Q908-L911 WeakPolarHBondContact O-CB 3.45Å; Q908-L911 PolarHBondContact O-N 3.19Å; Q908-L911 VanDerWaalsContact O-N 3.1Å; L911-E914 PolarHBondContact O-N 3.38Å; L911-R915 WeakPolarHBondContact O-CB 3.32Å; L911-R915 PolarHBondContact O-N 3.06Å
912	E	92	Very high	90	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-42.9	174.8	-72.6	-171.9	157.6	0	0	111.5	F775 K778 Q908 G909 L916 N917	F775-E912 HydrophobicContact CD2-CG 3.56Å; F775-E912 HydrophobicContact CE2-CG 3.77Å; K778-E912 IonicContact NZ-OE1 3.6Å; K778-E912 PolarHBondContact NZ-OE1 3.45Å; Q908-E912 HydrophobicContact CG-CG 4.48Å; Q908-E912 PolarHBondContact O-N 2.7Å; G909-E912 PolarHBondContact O-N 2.72Å; E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 PolarHBondContact O-N 3.23Å; E912-L916 VanDerWaalsContact O-N 3.12Å; E912-N917 PolarHBondContact O-N 3.4Å
913	K	90.6	Very high	89.8	Confident	56 Å²	56	56.6 Å²	56.6	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-49	173.6	-72.5	-178.5	-178.1	172.5	0	110.6	G909 D910 N917 P920 D925 E927	G909-K913 WeakPolarHBondContact O-CG 3.25Å; G909-K913 PolarHBondContact O-N 3.11Å; D910-K913 PolarHBondContact O-N 2.88Å; K913-N917 WeakPolarHBondContact O-CA 3.28Å; K913-N917 PolarHBondContact O-N 2.7Å; K913-P920 HydrophobicContact CD-CG 4.23Å; K913-P920 VanDerWaalsContact CE-CG 3.44Å; K913-P920 HydrophobicContact CG-CG 3.98Å; K913-D925 IonicContact NZ-OD1 2.74Å; K913-D925 PolarHBondContact NZ-OD1 2.96Å; K913-E927 IonicContact NZ-OE1 3.26Å; K913-E927 PolarHBondContact NZ-OE1 3.01Å
914	E	89.8	Confident	89.6	Confident	143 Å²	143	56.2 Å²	56.2	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-69.3	-48.3	-175	-174.4	-172.1	-167.7	0	0	113.4	D910 L911	D910-E914 WeakPolarHBondContact O-CB 3.32Å; D910-E914 PolarHBondContact O-N 3.4Å; L911-E914 PolarHBondContact O-N 3.38Å
915	R	87.2	Confident	89.4	Confident	166 Å²	166	56.8 Å²	56.8	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-94	-30.6	-168.6	-62.1	-174.7	-178.2	-178.5	2.4	114.1	L911	L911-R915 WeakPolarHBondContact O-CB 3.32Å; L911-R915 PolarHBondContact O-N 3.06Å
916	L	85.6	Confident	89.2	Confident	54 Å²	54	59.2 Å²	59.2	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-108.1	-10.6	-175.4	-58.3	177.5	0	0	0	112.6	K778 T779 E912 V918	K778-L916 HydrophobicContact CB-CD1 3.96Å; K778-L916 HydrophobicContact CD-CD1 4.37Å; T779-L916 HydrophobicContact CG2-CD1 4.18Å; T779-L916 HydrophobicContact CG2-CD2 4.13Å; T779-L916 HydrophobicContact CG2-CG 4.44Å; E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 PolarHBondContact O-N 3.23Å; E912-L916 VanDerWaalsContact O-N 3.12Å; L916-V918 HydrophobicContact CB-CB 4.42Å; L916-V918 HydrophobicContact CB-CG2 4Å; L916-V918 PolarHBondContact O-N 3.07Å
917	N	86.8	Confident	88.9	Confident	148 Å²	148	66.4 Å²	66.4	79%	0.791	34%	0.338	S	S	*	.			trans	53.3	35.8	-172	-65.6	-47.2	0	0	0	112.7	E912 K913	E912-N917 PolarHBondContact O-N 3.4Å; K913-N917 WeakPolarHBondContact O-CA 3.28Å; K913-N917 PolarHBondContact O-N 2.7Å
918	V	87.9	Confident	88.6	Confident	70 Å²	70	67 Å²	67	42%	0.424	34%	0.337	S	S	.	.			trans	-109	143.8	179.6	177.9	0	0	0	0	110	L916 P920	L916-V918 HydrophobicContact CB-CB 4.42Å; L916-V918 HydrophobicContact CB-CG2 4Å; L916-V918 PolarHBondContact O-N 3.07Å; V918-P920 WeakPolarHBondContact O-CD 3.48Å
919	T	86.3	Confident	88.3	Confident	121 Å²	121	68.7 Å²	68.7	74%	0.742	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-72.6	119.8	169.9	-49.9	0	0	0	0	109.6
920	P	85.9	Confident	88	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.058	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-68.3	160.3	-176.8	26.1	-32.1	0	0	0	111.6	K913 V918 M924 D925	K913-P920 HydrophobicContact CD-CG 4.23Å; K913-P920 VanDerWaalsContact CE-CG 3.44Å; K913-P920 HydrophobicContact CG-CG 3.98Å; V918-P920 WeakPolarHBondContact O-CD 3.48Å; P920-M924 HydrophobicContact CB-CB 4.02Å; P920-D925 HydrophobicContact CG-CB 4.06Å
921	A	85.6	Confident	87.8	Confident	63 Å²	63	74.6 Å²	74.6	52%	0.521	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61.9	155.3	174	0	0	0	0	0	111	L923 M924 D925	A921-L923 PolarHBondContact O-N 3.46Å; A921-M924 HydrophobicContact CB-CG 4.46Å; A921-M924 CarbonylContact O-C 3.49Å; A921-M924 WeakPolarHBondContact O-CA 3.26Å; A921-M924 PolarHBondContact O-N 2.93Å; A921-D925 PolarHBondContact O-N 3.49Å
922	A	84.7	Confident	87.7	Confident	23 Å²	23	72.9 Å²	72.9	19%	0.19	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-37	-177.5	0	0	0	0	0	114	M924 D925 R928	A922-M924 VanDerWaalsContact C-N 3.29Å; A922-M924 PolarHBondContact O-N 3.25Å; A922-D925 PolarHBondContact O-N 3.05Å; A922-R928 VanDerWaalsContact CB-NH1 3.28Å
923	L	86.9	Confident	87.7	Confident	61 Å²	61	73.8 Å²	73.8	32%	0.319	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.1	178.9	-174.4	64.7	0	0	0	113.2	F905 A921 L932 L935	F905-L923 HydrophobicContact CD2-CD1 4.22Å; F905-L923 HydrophobicContact CD2-CD2 3.89Å; F905-L923 HydrophobicContact CD2-CG 3.69Å; F905-L923 HydrophobicContact CE2-CD1 4.49Å; F905-L923 HydrophobicContact CE2-CD2 3.69Å; F905-L923 HydrophobicContact CE2-CG 4.02Å; A921-L923 PolarHBondContact O-N 3.46Å; L923-L932 HydrophobicContact CD1-CD2 4.33Å; L923-L935 HydrophobicContact CB-CD1 4.43Å; L923-L935 HydrophobicContact CD1-CB 4.38Å; L923-L935 HydrophobicContact CD1-CD1 4.1Å
924	M	88.8	Confident	87.8	Confident	16 Å²	16	77.3 Å²	77.3	8%	0.079	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.7	-178.9	-55.8	-67.6	-177.4	0	0	111.9	D772 F905 G909 P920 A921 A922	D772-M924 WeakPolarHBondContact OD2-CE 3.47Å; F905-M924 WeakPolarHBondContact CA-SD 3.2Å; F905-M924 HydrophobicContact CB-CE 4.37Å; F905-M924 HydrophobicContact CB-SD 3.29Å; F905-M924 WeakPolarHBondContact CB-SD 3.2Å; F905-M924 HydrophobicContact CD1-CE 3.74Å; F905-M924 HydrophobicContact CD1-SD 3.74Å; F905-M924 HydrophobicContact CD2-CE 4.35Å; F905-M924 HydrophobicContact CD2-SD 4.2Å; F905-M924 HydrophobicContact CE1-CE 4.05Å; F905-M924 HydrophobicContact CG-CE 3.9Å; F905-M924 HydrophobicContact CG-SD 3.48Å; F905-M924 WeakPolarHBondContact CG-SD 3.2Å; F905-M924 HydrophobicContact CZ-CE 4.47Å; F905-M924 VanDerWaalsContact O-SD 3.35Å; G909-M924 WeakPolarHBondContact CA-O 3.49Å; P920-M924 HydrophobicContact CB-CB 4.02Å; A921-M924 HydrophobicContact CB-CG 4.46Å; A921-M924 CarbonylContact O-C 3.49Å; A921-M924 WeakPolarHBondContact O-CA 3.26Å; A921-M924 PolarHBondContact O-N 2.93Å; A922-M924 VanDerWaalsContact C-N 3.29Å; A922-M924 PolarHBondContact O-N 3.25Å
925	D	89.1	Confident	87.9	Confident	13 Å²	13	72.7 Å²	72.7	7%	0.07	37%	0.371	C	S	.	.			trans	-96.6	110.2	-176.6	-168.6	5.1	0	0	0	112.2	F906 K913 P920 A921 A922 E927 R928	F906-D925 WeakPolarHBondContact CE1-O 3.49Å; K913-D925 IonicContact NZ-OD1 2.74Å; K913-D925 PolarHBondContact NZ-OD1 2.96Å; P920-D925 HydrophobicContact CG-CB 4.06Å; A921-D925 PolarHBondContact O-N 3.49Å; A922-D925 PolarHBondContact O-N 3.05Å; D925-E927 PolarHBondContact O-N 3.04Å; D925-E927 VanDerWaalsContact O-N 3.14Å; D925-E927 PolarHBondContact OD1-N 3.36Å; D925-R928 HydrophobicContact CB-CB 4.42Å; D925-R928 HydrophobicContact CB-CG 4.3Å; D925-R928 PolarHBondContact O-N 3.07Å
926	R	88.6	Confident	88.2	Confident	94 Å²	94	65.7 Å²	65.7	36%	0.355	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.8	-30.9	179.8	-166	-177.5	-59.2	-79.8	0.7	113	F906 D910 R928 S929	F906-R926 HydrophobicContact CB-CB 4.1Å; F906-R926 HydrophobicContact CB-CG 4.41Å; F906-R926 HydrophobicContact CD1-CB 4.23Å; F906-R926 HydrophobicContact CD2-CB 4.13Å; F906-R926 HydrophobicContact CD2-CG 3.9Å; F906-R926 HydrophobicContact CE2-CG 4.35Å; F906-R926 HydrophobicContact CG-CB 3.9Å; F906-R926 HydrophobicContact CG-CG 4.17Å; D910-R926 IonicContact OD2-CZ 3.77Å; D910-R926 IonicContact OD2-NE 2.87Å; D910-R926 PolarHBondContact OD2-NE 3.37Å; D910-R926 IonicContact OD2-NH2 3.08Å; D910-R926 PolarHBondContact OD2-NH2 2.8Å; R926-R928 PolarHBondContact O-N 3.48Å; R926-S929 VanDerWaalsContact O-CB 3.29Å; R926-S929 WeakPolarHBondContact O-CB 3.22Å; R926-S929 PolarHBondContact O-N 3.39Å; R926-S929 PolarHBondContact O-OG 2.88Å; R926-S929 VanDerWaalsContact O-OG 3.07Å
927	E	87.8	Confident	88.7	Confident	153 Å²	153	63.8 Å²	63.8	72%	0.715	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.3	-20.7	178.9	-66.7	170.1	-140.1	0	0	112.6	K913 D925	K913-E927 IonicContact NZ-OE1 3.26Å; K913-E927 PolarHBondContact NZ-OE1 3.01Å; D925-E927 PolarHBondContact O-N 3.04Å; D925-E927 VanDerWaalsContact O-N 3.14Å; D925-E927 PolarHBondContact OD1-N 3.36Å
928	R	87.6	Confident	89.2	Confident	97 Å²	97	59.9 Å²	59.9	37%	0.366	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-103.6	21	179	-58.8	-175.6	67.3	-176.4	-1.5	112.8	A922 D925 R926 N930 E931	A922-R928 VanDerWaalsContact CB-NH1 3.28Å; D925-R928 HydrophobicContact CB-CB 4.42Å; D925-R928 HydrophobicContact CB-CG 4.3Å; D925-R928 PolarHBondContact O-N 3.07Å; R926-R928 PolarHBondContact O-N 3.48Å; R928-N930 WeakPolarHBondContact CA-OD1 3.36Å; R928-N930 PolarHBondContact O-N 3.08Å; R928-N930 VanDerWaalsContact O-N 3.09Å; R928-N930 PolarHBondContact O-OD1 3.27Å; R928-E931 IonicContact CZ-OE1 2.75Å; R928-E931 IonicContact CZ-OE2 3.91Å; R928-E931 IonicContact NE-OE1 3.34Å; R928-E931 PolarHBondContact NE-OE1 2.88Å; R928-E931 IonicContact NE-OE2 3.71Å; R928-E931 IonicContact NH2-OE1 2.76Å; R928-E931 PolarHBondContact NH2-OE1 2.83Å; R928-E931 IonicContact NH2-OE2 2.77Å; R928-E931 PolarHBondContact NH2-OE2 3.18Å; R928-E931 WeakPolarHBondContact O-CB 3.48Å; R928-E931 PolarHBondContact O-N 3.29Å
929	S	85.7	Confident	89.5	Confident	39 Å²	39	60 Å²	60	27%	0.273	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.4	179.1	52.2	0	0	0	0	114.4	R926 E931 L932	R926-S929 VanDerWaalsContact O-CB 3.29Å; R926-S929 WeakPolarHBondContact O-CB 3.22Å; R926-S929 PolarHBondContact O-N 3.39Å; R926-S929 PolarHBondContact O-OG 2.88Å; R926-S929 VanDerWaalsContact O-OG 3.07Å; S929-E931 PolarHBondContact O-N 2.92Å; S929-L932 WeakPolarHBondContact O-CB 3.44Å; S929-L932 WeakPolarHBondContact O-CG 3.35Å; S929-L932 PolarHBondContact O-N 3.47Å
930	N	86.8	Confident	90.1	Very high	126 Å²	126	54.2 Å²	54.2	67%	0.674	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.6	173	63.2	-48	0	0	0	113.8	R928	R928-N930 WeakPolarHBondContact CA-OD1 3.36Å; R928-N930 PolarHBondContact O-N 3.08Å; R928-N930 VanDerWaalsContact O-N 3.09Å; R928-N930 PolarHBondContact O-OD1 3.27Å
931	E	89.1	Confident	90.6	Very high	60 Å²	60	56.8 Å²	56.8	28%	0.28	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85.8	-11.6	177.6	-62.6	-179	-153.2	0	0	113.3	R928 S929 K934 L935	R928-E931 IonicContact CZ-OE1 2.75Å; R928-E931 IonicContact CZ-OE2 3.91Å; R928-E931 IonicContact NE-OE1 3.34Å; R928-E931 PolarHBondContact NE-OE1 2.88Å; R928-E931 IonicContact NE-OE2 3.71Å; R928-E931 IonicContact NH2-OE1 2.76Å; R928-E931 PolarHBondContact NH2-OE1 2.83Å; R928-E931 IonicContact NH2-OE2 2.77Å; R928-E931 PolarHBondContact NH2-OE2 3.18Å; R928-E931 WeakPolarHBondContact O-CB 3.48Å; R928-E931 PolarHBondContact O-N 3.29Å; S929-E931 PolarHBondContact O-N 2.92Å; E931-K934 WeakPolarHBondContact O-CB 3.42Å; E931-K934 PolarHBondContact O-N 3.39Å; E931-L935 HydrophobicContact CB-CD1 4.39Å; E931-L935 PolarHBondContact O-N 3.34Å; E931-L935 VanDerWaalsContact O-N 3.08Å
932	L	88.3	Confident	91.2	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-52.9	-43.6	-174.4	-74.5	-164.6	0	0	0	114.4	A902 F906 L923 S929 K934 L935 Q936 F1049	A902-L932 HydrophobicContact CB-CD1 3.37Å; A902-L932 HydrophobicContact CB-CD2 4.42Å; F906-L932 HydrophobicContact CE1-CD2 4.5Å; F906-L932 HydrophobicContact CE2-CD1 4.49Å; F906-L932 HydrophobicContact CZ-CD1 4.03Å; F906-L932 HydrophobicContact CZ-CD2 4.18Å; F906-L932 HydrophobicContact CZ-CG 4.25Å; L923-L932 HydrophobicContact CD1-CD2 4.33Å; S929-L932 WeakPolarHBondContact O-CB 3.44Å; S929-L932 WeakPolarHBondContact O-CG 3.35Å; S929-L932 PolarHBondContact O-N 3.47Å; L932-K934 VanDerWaalsContact C-N 3.26Å; L932-K934 PolarHBondContact O-N 3.45Å; L932-L935 HydrophobicContact CD2-CD1 4.26Å; L932-L935 PolarHBondContact O-N 2.82Å; L932-L935 VanDerWaalsContact O-N 3.15Å; L932-Q936 VanDerWaalsContact O-CG 3.31Å; L932-Q936 WeakPolarHBondContact O-CG 3.34Å; L932-Q936 PolarHBondContact O-N 2.81Å; L932-F1049 HydrophobicContact CD1-CE1 3.45Å; L932-F1049 VanDerWaalsContact CD1-CE1 3.45Å; L932-F1049 HydrophobicContact CD1-CE2 4.41Å; L932-F1049 HydrophobicContact CD1-CZ 3.2Å; L932-F1049 HydrophobicContact CG-CZ 4.1Å
933	P	92.3	Very high	91.7	Very high	25 Å²	25	57.1 Å²	57.1	16%	0.162	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-39.5	178.6	-27.2	36.7	0	0	0	113.2	Q936 V937 W972 L975	P933-Q936 PolarHBondContact O-N 2.66Å; P933-V937 WeakPolarHBondContact O-CG2 3.46Å; P933-V937 PolarHBondContact O-N 3.01Å; P933-V937 VanDerWaalsContact O-N 3.14Å; P933-W972 HydrophobicContact CB-CE3 3.96Å; P933-W972 HydrophobicContact CB-CZ3 4.39Å; P933-W972 HydrophobicContact CG-CE3 4.39Å; P933-W972 HydrophobicContact CG-CZ3 4.34Å; P933-L975 HydrophobicContact CB-CB 4.08Å; P933-L975 HydrophobicContact CG-CB 4.3Å
934	K	93.1	Very high	92.3	Very high	130 Å²	130	54.2 Å²	54.2	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-68.1	-43.1	176.4	-67.8	-178.5	179	177.5	0	111.3	E931 L932 Q936 V937 S938	E931-K934 WeakPolarHBondContact O-CB 3.42Å; E931-K934 PolarHBondContact O-N 3.39Å; L932-K934 VanDerWaalsContact C-N 3.26Å; L932-K934 PolarHBondContact O-N 3.45Å; K934-Q936 VanDerWaalsContact C-N 3.3Å; K934-Q936 PolarHBondContact O-N 3.18Å; K934-V937 PolarHBondContact O-N 2.93Å; K934-S938 PolarHBondContact O-N 2.89Å; K934-S938 PolarHBondContact O-OG 2.88Å
935	L	91.6	Very high	92.7	Very high	46 Å²	46	54.2 Å²	54.2	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-37	176.6	-66.9	173.2	0	0	0	112	L923 E931 L932 S938 F939	L923-L935 HydrophobicContact CB-CD1 4.43Å; L923-L935 HydrophobicContact CD1-CB 4.38Å; L923-L935 HydrophobicContact CD1-CD1 4.1Å; E931-L935 HydrophobicContact CB-CD1 4.39Å; E931-L935 PolarHBondContact O-N 3.34Å; E931-L935 VanDerWaalsContact O-N 3.08Å; L932-L935 HydrophobicContact CD2-CD1 4.26Å; L932-L935 PolarHBondContact O-N 2.82Å; L932-L935 VanDerWaalsContact O-N 3.15Å; L935-S938 PolarHBondContact O-N 3.35Å; L935-F939 WeakPolarHBondContact O-CB 3.35Å; L935-F939 PolarHBondContact O-N 3.45Å
936	Q	94	Very high	93.2	Very high	19 Å²	19	55 Å²	55	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-44.7	173.3	-71.3	-66.4	-44.4	0	0	111.3	L932 P933 K934 S938 F939 I940 W972	L932-Q936 VanDerWaalsContact O-CG 3.31Å; L932-Q936 WeakPolarHBondContact O-CG 3.34Å; L932-Q936 PolarHBondContact O-N 2.81Å; P933-Q936 PolarHBondContact O-N 2.66Å; K934-Q936 VanDerWaalsContact C-N 3.3Å; K934-Q936 PolarHBondContact O-N 3.18Å; Q936-S938 VanDerWaalsContact C-N 3.33Å; Q936-S938 PolarHBondContact O-N 3.47Å; Q936-F939 PolarHBondContact O-N 3.19Å; Q936-I940 WeakPolarHBondContact O-CB 3.42Å; Q936-I940 VanDerWaalsContact O-CD1 3.3Å; Q936-I940 WeakPolarHBondContact O-CD1 3.32Å; Q936-I940 WeakPolarHBondContact O-CG1 3.48Å; Q936-I940 PolarHBondContact O-N 3.21Å; Q936-W972 HydrophobicContact CB-CB 4.33Å; Q936-W972 HydrophobicContact CB-CD2 3.61Å; Q936-W972 HydrophobicContact CB-CE3 4Å; Q936-W972 HydrophobicContact CB-CG 3.76Å; Q936-W972 HydrophobicContact CG-CD2 3.91Å; Q936-W972 HydrophobicContact CG-CE3 4.05Å; Q936-W972 HydrophobicContact CG-CH2 4.14Å; Q936-W972 HydrophobicContact CG-CZ2 4.03Å; Q936-W972 HydrophobicContact CG-CZ3 4.15Å
937	V	96.6	Very high	93.6	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-45.9	173.7	176.1	0	0	0	0	111	P933 K934 F939 I940 D941 W972 L973	P933-V937 WeakPolarHBondContact O-CG2 3.46Å; P933-V937 PolarHBondContact O-N 3.01Å; P933-V937 VanDerWaalsContact O-N 3.14Å; K934-V937 PolarHBondContact O-N 2.93Å; V937-F939 PolarHBondContact O-N 3.07Å; V937-I940 PolarHBondContact O-N 2.64Å; V937-D941 WeakPolarHBondContact O-CB 3.1Å; V937-D941 PolarHBondContact O-N 2.71Å; V937-W972 HydrophobicContact CG2-CB 3.76Å; V937-L973 HydrophobicContact CG2-CB 4.35Å
938	S	95.6	Very high	94.1	Very high	66 Å²	66	43.2 Å²	43.2	46%	0.462	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-40.5	177.7	-61.1	0	0	0	0	113.3	K934 L935 Q936 D941 S942	K934-S938 PolarHBondContact O-N 2.89Å; K934-S938 PolarHBondContact O-OG 2.88Å; L935-S938 PolarHBondContact O-N 3.35Å; Q936-S938 VanDerWaalsContact C-N 3.33Å; Q936-S938 PolarHBondContact O-N 3.47Å; S938-D941 PolarHBondContact O-N 3.34Å; S938-S942 VanDerWaalsContact O-CB 3.26Å; S938-S942 WeakPolarHBondContact O-CB 3.47Å; S938-S942 PolarHBondContact O-N 3.46Å; S938-S942 PolarHBondContact O-OG 3.01Å
939	F	95.1	Very high	94.6	Very high	71 Å²	71	42.3 Å²	42.3	31%	0.311	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-45.4	174.2	172.7	-107.3	0	0	0	111.2	V884 L935 Q936 V937 S942 I943 C944	V884-F939 HydrophobicContact CG1-CZ 4.28Å; L935-F939 WeakPolarHBondContact O-CB 3.35Å; L935-F939 PolarHBondContact O-N 3.45Å; Q936-F939 PolarHBondContact O-N 3.19Å; V937-F939 PolarHBondContact O-N 3.07Å; F939-S942 PolarHBondContact O-N 2.79Å; F939-I943 HydrophobicContact CD2-CB 4.4Å; F939-I943 HydrophobicContact CD2-CD1 3.71Å; F939-I943 HydrophobicContact CD2-CG1 4.49Å; F939-I943 HydrophobicContact CE2-CB 4.19Å; F939-I943 HydrophobicContact CE2-CD1 3.62Å; F939-I943 HydrophobicContact CE2-CG1 4.46Å; F939-I943 HydrophobicContact CE2-CG2 4.27Å; F939-I943 WeakPolarHBondContact O-CB 3.03Å; F939-I943 PolarHBondContact O-N 3.2Å; F939-C944 WeakPolarHBondContact CE1-SG 3.26Å
940	I	97.9	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-61.8	-47.6	178.2	-66	161.3	0	0	0	111	I887 Q936 V937 S942 C944 V945 R969 W972	I887-I940 HydrophobicContact CD1-CD1 3.72Å; I887-I940 HydrophobicContact CD1-CG1 3.71Å; I887-I940 HydrophobicContact CG1-CD1 4.2Å; I887-I940 HydrophobicContact CG1-CG1 3.74Å; Q936-I940 WeakPolarHBondContact O-CB 3.42Å; Q936-I940 VanDerWaalsContact O-CD1 3.3Å; Q936-I940 WeakPolarHBondContact O-CD1 3.32Å; Q936-I940 WeakPolarHBondContact O-CG1 3.48Å; Q936-I940 PolarHBondContact O-N 3.21Å; V937-I940 PolarHBondContact O-N 2.64Å; I940-S942 VanDerWaalsContact C-N 3.34Å; I940-S942 PolarHBondContact O-N 3.28Å; I940-C944 HydrophobicContact CG2-CB 4.4Å; I940-C944 PolarHBondContact O-N 3.43Å; I940-V945 HydrophobicContact CG2-CG2 3.67Å; I940-V945 PolarHBondContact O-N 2.89Å; I940-R969 HydrophobicContact CB-CG 4.45Å; I940-R969 HydrophobicContact CD1-CB 4.19Å; I940-R969 HydrophobicContact CD1-CG 4.4Å; I940-R969 HydrophobicContact CG2-CB 3.86Å; I940-R969 HydrophobicContact CG2-CG 3.84Å; I940-W972 HydrophobicContact CD1-CG 4.36Å
941	D	98.2	Very high	95.5	Very high	64 Å²	64	34.5 Å²	34.5	34%	0.342	19%	0.185	S	C	.	.	I	π-helix	trans	-68.3	-34.2	-177.5	-73.3	-14.5	0	0	0	112.3	V937 S938 P946 R969	V937-D941 WeakPolarHBondContact O-CB 3.1Å; V937-D941 PolarHBondContact O-N 2.71Å; S938-D941 PolarHBondContact O-N 3.34Å; D941-P946 WeakPolarHBondContact O-CD 3.42Å; D941-R969 IonicContact OD1-CZ 3.86Å; D941-R969 IonicContact OD1-NE 3.68Å; D941-R969 PolarHBondContact OD1-NE 3.45Å; D941-R969 IonicContact OD1-NH2 3.53Å; D941-R969 PolarHBondContact OD1-NH2 3.19Å; D941-R969 IonicContact OD2-CZ 3.29Å; D941-R969 IonicContact OD2-NE 2.65Å; D941-R969 IonicContact OD2-NH2 3.7Å; D941-R969 PolarHBondContact OD2-NH2 3.02Å
942	S	96.7	Very high	95.8	Very high	74 Å²	74	32.9 Å²	32.9	52%	0.517	18%	0.179	S	C	.	.	I	π-helix	trans	-88.2	-30.7	-174.9	-51.6	0	0	0	0	114	S938 F939 I940	S938-S942 VanDerWaalsContact O-CB 3.26Å; S938-S942 WeakPolarHBondContact O-CB 3.47Å; S938-S942 PolarHBondContact O-N 3.46Å; S938-S942 PolarHBondContact O-OG 3.01Å; F939-S942 PolarHBondContact O-N 2.79Å; I940-S942 VanDerWaalsContact C-N 3.34Å; I940-S942 PolarHBondContact O-N 3.28Å
943	I	96.3	Very high	96	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.092	20%	0.195	C	C	.	.	I	π-helix	trans	-122	-56	-171.7	-63.6	172.2	0	0	0	111.1	L836 Y839 F840 V884 F939 I947	L836-I943 HydrophobicContact CD1-CD1 4.06Å; L836-I943 HydrophobicContact CD2-CG2 3.96Å; Y839-I943 HydrophobicContact CE1-CG2 4.14Å; Y839-I943 PolarHBondContact OH-O 3.06Å; F840-I943 HydrophobicContact CE1-CG1 4.23Å; F840-I943 HydrophobicContact CZ-CD1 4Å; F840-I943 HydrophobicContact CZ-CG1 3.73Å; V884-I943 HydrophobicContact CG1-CG2 4.45Å; F939-I943 HydrophobicContact CD2-CB 4.4Å; F939-I943 HydrophobicContact CD2-CD1 3.71Å; F939-I943 HydrophobicContact CD2-CG1 4.49Å; F939-I943 HydrophobicContact CE2-CB 4.19Å; F939-I943 HydrophobicContact CE2-CD1 3.62Å; F939-I943 HydrophobicContact CE2-CG1 4.46Å; F939-I943 HydrophobicContact CE2-CG2 4.27Å; F939-I943 WeakPolarHBondContact O-CB 3.03Å; F939-I943 PolarHBondContact O-N 3.2Å; I943-I947 WeakPolarHBondContact O-CG2 3.43Å; I943-I947 PolarHBondContact O-N 3.06Å
944	C	98.2	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-73.4	-49.4	-168.3	-53.8	0	0	0	0	113.7	I887 F939 I940 I947 Y948	I887-C944 HydrophobicContact CG1-CB 4.47Å; I887-C944 HydrophobicContact CG2-CB 3.89Å; F939-C944 WeakPolarHBondContact CE1-SG 3.26Å; I940-C944 HydrophobicContact CG2-CB 4.4Å; I940-C944 PolarHBondContact O-N 3.43Å; C944-I947 WeakPolarHBondContact O-CG2 3.29Å; C944-I947 PolarHBondContact O-N 3.02Å; C944-Y948 HydrophobicContact CB-CD2 4.41Å; C944-Y948 HydrophobicContact CB-CE2 4.26Å; C944-Y948 WeakPolarHBondContact O-CD2 3.16Å; C944-Y948 PolarHBondContact O-N 3.26Å; C944-Y948 VanDerWaalsContact O-N 3.11Å
945	V	98.5	Very high	95.9	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-48.3	-179.7	169.5	0	0	0	0	110.8	I940 I947 Y948 E949	I940-V945 HydrophobicContact CG2-CG2 3.67Å; I940-V945 PolarHBondContact O-N 2.89Å; V945-I947 PolarHBondContact O-N 2.8Å; V945-Y948 PolarHBondContact O-N 3.46Å; V945-E949 VanDerWaalsContact CG1-CD 3.49Å; V945-E949 HydrophobicContact CG1-CG 3.95Å; V945-E949 WeakPolarHBondContact O-CB 3.23Å; V945-E949 WeakPolarHBondContact O-CG 3.44Å; V945-E949 PolarHBondContact O-N 3.25Å
946	P	98.2	Very high	95.9	Very high	28 Å²	28	33.4 Å²	33.4	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-42.4	179.1	-27.9	35.9	0	0	0	114.3	L843 D941 A950	L843-P946 HydrophobicContact CD2-CB 4.2Å; D941-P946 WeakPolarHBondContact O-CD 3.42Å; P946-A950 VanDerWaalsContact O-CB 3.28Å; P946-A950 WeakPolarHBondContact O-CB 3.4Å; P946-A950 PolarHBondContact O-N 3.42Å
947	I	98.2	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-41.9	177.7	-173.7	60.7	0	0	0	111.7	Y839 M877 A881 V884 I943 C944 V945 A950 I951	Y839-I947 HydrophobicContact CE2-CB 4.1Å; Y839-I947 HydrophobicContact CE2-CD1 4.03Å; Y839-I947 HydrophobicContact CE2-CG1 4.41Å; Y839-I947 PolarHBondContact OH-N 2.98Å; M877-I947 HydrophobicContact CB-CD1 3.96Å; M877-I947 HydrophobicContact CG-CD1 4.47Å; M877-I947 HydrophobicContact SD-CD1 4.04Å; A881-I947 HydrophobicContact CB-CG1 3.81Å; V884-I947 HydrophobicContact CG2-CG2 4.23Å; I943-I947 WeakPolarHBondContact O-CG2 3.43Å; I943-I947 PolarHBondContact O-N 3.06Å; C944-I947 WeakPolarHBondContact O-CG2 3.29Å; C944-I947 PolarHBondContact O-N 3.02Å; V945-I947 PolarHBondContact O-N 2.8Å; I947-A950 PolarHBondContact O-N 3.25Å; I947-I951 HydrophobicContact CD1-CG2 4.04Å; I947-I951 HydrophobicContact CG1-CG2 4.4Å; I947-I951 WeakPolarHBondContact O-CG2 3.41Å; I947-I951 PolarHBondContact O-N 3.44Å
948	Y	98.5	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-37.2	179.9	-68.5	-55.1	0	0	0	112.9	A881 V884 S885 I887 T888 C944 V945 A950 I951 V952 L961 C965	A881-Y948 HydrophobicContact CB-CE1 4.17Å; A881-Y948 PolarHBondContact O-OH 2.89Å; V884-Y948 HydrophobicContact CG2-CE2 4.28Å; S885-Y948 VanDerWaalsContact CA-OH 3.22Å; S885-Y948 WeakPolarHBondContact CA-OH 3.39Å; S885-Y948 PolarHBondContact N-OH 3.42Å; I887-Y948 HydrophobicContact CG2-CE2 3.64Å; T888-Y948 HydrophobicContact CG2-CD1 4.49Å; T888-Y948 HydrophobicContact CG2-CD2 4.1Å; T888-Y948 HydrophobicContact CG2-CE1 3.89Å; T888-Y948 HydrophobicContact CG2-CE2 3.4Å; T888-Y948 VanDerWaalsContact CG2-CE2 3.4Å; T888-Y948 WeakPolarHBondContact CG2-OH 3.47Å; C944-Y948 HydrophobicContact CB-CD2 4.41Å; C944-Y948 HydrophobicContact CB-CE2 4.26Å; C944-Y948 WeakPolarHBondContact O-CD2 3.16Å; C944-Y948 PolarHBondContact O-N 3.26Å; C944-Y948 VanDerWaalsContact O-N 3.11Å; V945-Y948 PolarHBondContact O-N 3.46Å; Y948-A950 VanDerWaalsContact C-N 3.27Å; Y948-A950 PolarHBondContact O-N 2.86Å; Y948-I951 HydrophobicContact CD1-CD1 3.7Å; Y948-I951 HydrophobicContact CD1-CG1 4.32Å; Y948-I951 HydrophobicContact CE1-CD1 4.11Å; Y948-I951 PolarHBondContact O-N 2.97Å; Y948-V952 WeakPolarHBondContact O-CB 3.32Å; Y948-V952 VanDerWaalsContact O-CG2 3.22Å; Y948-V952 WeakPolarHBondContact O-CG2 3.39Å; Y948-V952 PolarHBondContact O-N 2.94Å; Y948-L961 HydrophobicContact CD1-CB 3.66Å; Y948-L961 HydrophobicContact CD1-CD1 4.34Å; Y948-L961 HydrophobicContact CE1-CB 3.86Å; Y948-L961 HydrophobicContact CE1-CD1 4.13Å; Y948-L961 HydrophobicContact CE1-CD2 4.49Å; Y948-L961 HydrophobicContact CE1-CG 4.4Å; Y948-L961 HydrophobicContact CG-CB 4.42Å; Y948-C965 HydrophobicContact CD2-CB 3.73Å; Y948-C965 HydrophobicContact CE2-CB 4.23Å
949	E	97.9	Very high	95.9	Very high	78 Å²	78	36 Å²	36	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-33.2	172	-70.8	-174	158.5	0	0	111.9	V945 Q953 L962 K966	V945-E949 VanDerWaalsContact CG1-CD 3.49Å; V945-E949 HydrophobicContact CG1-CG 3.95Å; V945-E949 WeakPolarHBondContact O-CB 3.23Å; V945-E949 WeakPolarHBondContact O-CG 3.44Å; V945-E949 PolarHBondContact O-N 3.25Å; E949-Q953 WeakPolarHBondContact O-CG 3.44Å; E949-Q953 PolarHBondContact O-NE2 3.33Å; E949-L962 HydrophobicContact CG-CD1 3.66Å; E949-L962 HydrophobicContact CG-CD2 4.07Å; E949-K966 WeakPolarHBondContact OE1-CE 3.46Å; E949-K966 IonicContact OE1-NZ 3.14Å; E949-K966 PolarHBondContact OE1-NZ 3.2Å
950	A	96.4	Very high	95.9	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-48.9	175.3	0	0	0	0	0	111.9	F846 L850 P946 I947 Y948 V952 Q953	F846-A950 HydrophobicContact CD1-CB 3.96Å; F846-A950 HydrophobicContact CE1-CB 3.81Å; L850-A950 HydrophobicContact CD1-CB 3.94Å; L850-A950 WeakPolarHBondContact CD1-O 3.43Å; P946-A950 VanDerWaalsContact O-CB 3.28Å; P946-A950 WeakPolarHBondContact O-CB 3.4Å; P946-A950 PolarHBondContact O-N 3.42Å; I947-A950 PolarHBondContact O-N 3.25Å; Y948-A950 VanDerWaalsContact C-N 3.27Å; Y948-A950 PolarHBondContact O-N 2.86Å; A950-V952 PolarHBondContact O-N 3.33Å; A950-Q953 WeakPolarHBondContact O-CB 3.29Å; A950-Q953 PolarHBondContact O-N 3.41Å
951	I	94.9	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-29.8	-177.2	71.9	179.5	0	0	0	113	F878 A881 I947 Y948 Q953 V954 S955 F958 L961	F878-I951 HydrophobicContact CD1-CG2 4.07Å; F878-I951 HydrophobicContact CE1-CB 4.22Å; F878-I951 HydrophobicContact CE1-CG2 4.02Å; A881-I951 HydrophobicContact CB-CD1 3.89Å; I947-I951 HydrophobicContact CD1-CG2 4.04Å; I947-I951 HydrophobicContact CG1-CG2 4.4Å; I947-I951 WeakPolarHBondContact O-CG2 3.41Å; I947-I951 PolarHBondContact O-N 3.44Å; Y948-I951 HydrophobicContact CD1-CD1 3.7Å; Y948-I951 HydrophobicContact CD1-CG1 4.32Å; Y948-I951 HydrophobicContact CE1-CD1 4.11Å; Y948-I951 PolarHBondContact O-N 2.97Å; I951-Q953 PolarHBondContact O-N 3.36Å; I951-V954 WeakPolarHBondContact O-CA 3.38Å; I951-V954 VanDerWaalsContact O-CB 3.26Å; I951-V954 WeakPolarHBondContact O-CB 3.09Å; I951-V954 PolarHBondContact O-N 3.18Å; I951-S955 PolarHBondContact O-N 3.24Å; I951-S955 VanDerWaalsContact O-N 3.13Å; I951-F958 HydrophobicContact CB-CD2 4.16Å; I951-F958 HydrophobicContact CD1-CB 4.48Å; I951-F958 HydrophobicContact CD1-CD2 4.4Å; I951-F958 HydrophobicContact CG1-CB 4.31Å; I951-F958 HydrophobicContact CG1-CD2 4.16Å; I951-F958 WeakPolarHBondContact O-CD2 3.23Å; I951-L961 HydrophobicContact CD1-CD1 4.02Å
952	V	95.1	Very high	96	Very high	25 Å²	25	33.2 Å²	33.2	15%	0.152	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-29.8	173.3	165.3	0	0	0	0	111.7	Y948 A950 V954 S955 F958 E959 L962	Y948-V952 WeakPolarHBondContact O-CB 3.32Å; Y948-V952 VanDerWaalsContact O-CG2 3.22Å; Y948-V952 WeakPolarHBondContact O-CG2 3.39Å; Y948-V952 PolarHBondContact O-N 2.94Å; A950-V952 PolarHBondContact O-N 3.33Å; V952-V954 PolarHBondContact O-N 2.93Å; V952-S955 CarbonylContact O-C 3.6Å; V952-S955 PolarHBondContact O-N 3Å; V952-F958 HydrophobicContact CG2-CB 4.13Å; V952-E959 WeakPolarHBondContact CG1-OE2 2.88Å; V952-L962 HydrophobicContact CB-CD2 4.39Å; V952-L962 HydrophobicContact CG1-CD2 4.47Å; V952-L962 HydrophobicContact CG2-CB 3.79Å; V952-L962 HydrophobicContact CG2-CD2 4.04Å
953	Q	92.9	Very high	96	Very high	88 Å²	88	34.8 Å²	34.8	41%	0.411	19%	0.187	S	C	.	.	H	α-helix	trans	-69.7	-23.5	172.9	-65.4	170	64.4	0	0	112.7	L850 K854 E949 A950 I951	L850-Q953 HydrophobicContact CD1-CB 4.28Å; L850-Q953 HydrophobicContact CD2-CB 4.21Å; K854-Q953 VanDerWaalsContact NZ-CD 3.31Å; E949-Q953 WeakPolarHBondContact O-CG 3.44Å; E949-Q953 PolarHBondContact O-NE2 3.33Å; A950-Q953 WeakPolarHBondContact O-CB 3.29Å; A950-Q953 PolarHBondContact O-N 3.41Å; I951-Q953 PolarHBondContact O-N 3.36Å
954	V	91.9	Very high	96.1	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.145	19%	0.186	C	C	.	.	H	α-helix	trans	-76.2	-43.2	172.9	-170.1	0	0	0	0	110.3	F745 F846 L850 W864 L874 I951 V952	F745-V954 HydrophobicContact CE1-CG1 4.12Å; F745-V954 HydrophobicContact CZ-CG1 3.69Å; F846-V954 HydrophobicContact CE1-CG2 4.41Å; F846-V954 HydrophobicContact CZ-CG2 3.71Å; L850-V954 HydrophobicContact CD2-CG2 3.83Å; W864-V954 HydrophobicContact CZ2-CG2 4.35Å; L874-V954 HydrophobicContact CD1-CG1 4.1Å; L874-V954 HydrophobicContact CD1-CG2 4Å; I951-V954 WeakPolarHBondContact O-CA 3.38Å; I951-V954 VanDerWaalsContact O-CB 3.26Å; I951-V954 WeakPolarHBondContact O-CB 3.09Å; I951-V954 PolarHBondContact O-N 3.18Å; V952-V954 PolarHBondContact O-N 2.93Å
955	S	91.4	Very high	96.1	Very high	13 Å²	13	34.2 Å²	34.2	9%	0.091	19%	0.186	C	C	.	.			trans	-150	127.9	176.5	-176.7	0	0	0	0	112.1	I951 V952 N957 F958	I951-S955 PolarHBondContact O-N 3.24Å; I951-S955 VanDerWaalsContact O-N 3.13Å; V952-S955 CarbonylContact O-C 3.6Å; V952-S955 PolarHBondContact O-N 3Å; S955-N957 PolarHBondContact O-N 2.83Å; S955-N957 VanDerWaalsContact O-N 3.12Å; S955-N957 PolarHBondContact OG-N 3.07Å; S955-F958 PolarHBondContact O-N 2.83Å; S955-F958 VanDerWaalsContact O-N 3.13Å
956	P	92	Very high	96.1	Very high	99 Å²	99	37.5 Å²	37.5	64%	0.643	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-64.9	-15.6	175.8	28.5	-35.3	0	0	0	112.6	F958 E959	P956-F958 PolarHBondContact O-N 3.25Å; P956-F958 VanDerWaalsContact O-N 3.12Å; P956-E959 WeakPolarHBondContact O-CB 3.42Å; P956-E959 PolarHBondContact O-N 3.34Å
957	N	93.1	Very high	96.1	Very high	86 Å²	86	38.3 Å²	38.3	46%	0.46	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.7	-12.7	175.7	-64.9	-11.8	0	0	0	112.7	K742 S955 P960	K742-N957 PolarHBondContact O-ND2 2.62Å; S955-N957 PolarHBondContact O-N 2.83Å; S955-N957 VanDerWaalsContact O-N 3.12Å; S955-N957 PolarHBondContact OG-N 3.07Å; N957-P960 WeakPolarHBondContact O-CD 3.24Å
958	F	95.3	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-90.9	-0.3	174.9	-55.5	-29.2	0	0	0	113.7	F671 I739 F745 F878 I951 V952 S955 P956 P960 L961	F671-F958 HydrophobicContact CE2-CD1 4.38Å; F671-F958 AromaticContact CZ-CD1 3.92Å; F671-F958 HydrophobicContact CZ-CD1 3.92Å; F671-F958 HydrophobicContact CZ-CE1 4.34Å; I739-F958 HydrophobicContact CB-CE1 4.19Å; I739-F958 HydrophobicContact CB-CZ 4.31Å; I739-F958 HydrophobicContact CG1-CE1 4.21Å; I739-F958 HydrophobicContact CG2-CE1 4Å; I739-F958 HydrophobicContact CG2-CE2 4.37Å; I739-F958 HydrophobicContact CG2-CZ 3.61Å; F745-F958 HydrophobicContact CD2-CE2 4.5Å; F745-F958 AromaticContact CD2-CZ 3.78Å; F745-F958 HydrophobicContact CD2-CZ 3.78Å; F745-F958 HydrophobicContact CE2-CE1 4.35Å; F745-F958 AromaticContact CE2-CE2 3.61Å; F745-F958 HydrophobicContact CE2-CE2 3.61Å; F745-F958 AromaticContact CE2-CZ 3.26Å; F745-F958 HydrophobicContact CE2-CZ 3.26Å; F745-F958 HydrophobicContact CZ-CE2 4.18Å; F745-F958 HydrophobicContact CZ-CZ 4.24Å; F878-F958 AromaticContact CE1-CE2 3.91Å; F878-F958 HydrophobicContact CE1-CE2 3.91Å; F878-F958 AromaticContact CZ-CE2 3.8Å; F878-F958 HydrophobicContact CZ-CE2 3.8Å; F878-F958 HydrophobicContact CZ-CZ 4.14Å; I951-F958 HydrophobicContact CB-CD2 4.16Å; I951-F958 HydrophobicContact CD1-CB 4.48Å; I951-F958 HydrophobicContact CD1-CD2 4.4Å; I951-F958 HydrophobicContact CG1-CB 4.31Å; I951-F958 HydrophobicContact CG1-CD2 4.16Å; I951-F958 WeakPolarHBondContact O-CD2 3.23Å; V952-F958 HydrophobicContact CG2-CB 4.13Å; S955-F958 PolarHBondContact O-N 2.83Å; S955-F958 VanDerWaalsContact O-N 3.13Å; P956-F958 PolarHBondContact O-N 3.25Å; P956-F958 VanDerWaalsContact O-N 3.12Å; F958-P960 VanDerWaalsContact O-N 3.16Å; F958-L961 HydrophobicContact CB-CD1 4.35Å; F958-L961 WeakPolarHBondContact O-CB 3.4Å; F958-L961 PolarHBondContact O-N 2.96Å
959	E	96.4	Very high	96	Very high	69 Å²	69	41.8 Å²	41.8	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-51	-35.5	175.6	-174.6	60.6	-158.2	0	0	113.8	V952 P956 L961 L962 K963	V952-E959 WeakPolarHBondContact CG1-OE2 2.88Å; P956-E959 WeakPolarHBondContact O-CB 3.42Å; P956-E959 PolarHBondContact O-N 3.34Å; E959-L961 PolarHBondContact O-N 3.25Å; E959-L962 PolarHBondContact O-N 3.12Å; E959-K963 HydrophobicContact CG-CD 4.07Å; E959-K963 HydrophobicContact CG-CG 4.13Å; E959-K963 WeakPolarHBondContact O-CB 3.38Å; E959-K963 WeakPolarHBondContact O-CG 3.32Å; E959-K963 PolarHBondContact O-N 3.41Å
960	P	96.9	Very high	96	Very high	65 Å²	65	40.8 Å²	40.8	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-57.5	-33.3	173.7	-26.9	36.7	0	0	0	114.3	F671 N957 F958 G964	F671-P960 HydrophobicContact CB-CB 4.4Å; F671-P960 HydrophobicContact CD2-CB 3.93Å; F671-P960 HydrophobicContact CD2-CG 4.18Å; N957-P960 WeakPolarHBondContact O-CD 3.24Å; F958-P960 VanDerWaalsContact O-N 3.16Å; P960-G964 PolarHBondContact O-N 2.92Å
961	L	97.9	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-46	176.8	-66.2	170.6	0	0	0	110.8	F671 T735 I739 T888 Y948 I951 F958 E959 G964 C965	F671-L961 HydrophobicContact CB-CD2 4.19Å; F671-L961 HydrophobicContact CD1-CD1 4.17Å; F671-L961 HydrophobicContact CD1-CD2 3.56Å; F671-L961 HydrophobicContact CD1-CG 3.87Å; F671-L961 HydrophobicContact CD2-CG 4.44Å; F671-L961 HydrophobicContact CE1-CD1 3.83Å; F671-L961 HydrophobicContact CE1-CD2 4.09Å; F671-L961 HydrophobicContact CE1-CG 4.03Å; F671-L961 HydrophobicContact CG-CD2 3.94Å; F671-L961 HydrophobicContact CG-CG 4.09Å; F671-L961 HydrophobicContact CZ-CD1 4.14Å; F671-L961 HydrophobicContact CZ-CG 4.38Å; T735-L961 HydrophobicContact CG2-CD2 4.49Å; I739-L961 HydrophobicContact CD1-CD1 4.24Å; I739-L961 HydrophobicContact CG1-CD1 4.27Å; T888-L961 HydrophobicContact CG2-CB 4.12Å; T888-L961 HydrophobicContact CG2-CD2 3.98Å; T888-L961 VanDerWaalsContact CG2-O 3.3Å; T888-L961 WeakPolarHBondContact CG2-O 3.49Å; T888-L961 WeakPolarHBondContact OG1-CD2 3.34Å; Y948-L961 HydrophobicContact CD1-CB 3.66Å; Y948-L961 HydrophobicContact CD1-CD1 4.34Å; Y948-L961 HydrophobicContact CE1-CB 3.86Å; Y948-L961 HydrophobicContact CE1-CD1 4.13Å; Y948-L961 HydrophobicContact CE1-CD2 4.49Å; Y948-L961 HydrophobicContact CE1-CG 4.4Å; Y948-L961 HydrophobicContact CG-CB 4.42Å; I951-L961 HydrophobicContact CD1-CD1 4.02Å; F958-L961 HydrophobicContact CB-CD1 4.35Å; F958-L961 WeakPolarHBondContact O-CB 3.4Å; F958-L961 PolarHBondContact O-N 2.96Å; E959-L961 PolarHBondContact O-N 3.25Å; L961-G964 PolarHBondContact O-N 2.7Å; L961-C965 WeakPolarHBondContact O-CB 3.45Å; L961-C965 PolarHBondContact O-N 2.9Å
962	L	98.3	Very high	96.1	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-44.3	177.9	-179.6	59	0	0	0	111.8	E949 V952 E959 C965 K966	E949-L962 HydrophobicContact CG-CD1 3.66Å; E949-L962 HydrophobicContact CG-CD2 4.07Å; V952-L962 HydrophobicContact CB-CD2 4.39Å; V952-L962 HydrophobicContact CG1-CD2 4.47Å; V952-L962 HydrophobicContact CG2-CB 3.79Å; V952-L962 HydrophobicContact CG2-CD2 4.04Å; E959-L962 PolarHBondContact O-N 3.12Å; L962-C965 WeakPolarHBondContact O-CB 2.99Å; L962-C965 PolarHBondContact O-N 3.07Å; L962-K966 HydrophobicContact CD1-CD 4.11Å; L962-K966 HydrophobicContact CD1-CG 4.29Å; L962-K966 HydrophobicContact CG-CD 4.22Å; L962-K966 WeakPolarHBondContact O-CB 3.22Å; L962-K966 WeakPolarHBondContact O-CG 3.29Å; L962-K966 PolarHBondContact O-N 2.99Å
963	K	97.9	Very high	96.2	Very high	107 Å²	107	43.1 Å²	43.1	47%	0.465	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-45.3	173.6	-75.1	-179.5	175.5	-179.9	0	111.4	E959 K966 R967	E959-K963 HydrophobicContact CG-CD 4.07Å; E959-K963 HydrophobicContact CG-CG 4.13Å; E959-K963 WeakPolarHBondContact O-CB 3.38Å; E959-K963 WeakPolarHBondContact O-CG 3.32Å; E959-K963 PolarHBondContact O-N 3.41Å; K963-K966 PolarHBondContact O-N 2.85Å; K963-R967 VanDerWaalsContact O-CB 3.23Å; K963-R967 WeakPolarHBondContact O-CB 3.4Å; K963-R967 PolarHBondContact O-N 3.39Å
964	G	97.7	Very high	96.3	Very high	6 Å²	6	41 Å²	41	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-45.8	176	0	0	0	0	0	112.5	T888 P960 L961 R967 N968	T888-G964 WeakPolarHBondContact O-CA 3.31Å; P960-G964 PolarHBondContact O-N 2.92Å; L961-G964 PolarHBondContact O-N 2.7Å; G964-R967 PolarHBondContact O-N 3.06Å; G964-N968 PolarHBondContact O-N 3.28Å; G964-N968 PolarHBondContact O-ND2 3.48Å
965	C	98.4	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-52.5	175.7	-176.3	0	0	0	0	111.6	T888 Y948 L961 L962 R967 N968 R969	T888-C965 HydrophobicContact CG2-CB 4.32Å; Y948-C965 HydrophobicContact CD2-CB 3.73Å; Y948-C965 HydrophobicContact CE2-CB 4.23Å; L961-C965 WeakPolarHBondContact O-CB 3.45Å; L961-C965 PolarHBondContact O-N 2.9Å; L962-C965 WeakPolarHBondContact O-CB 2.99Å; L962-C965 PolarHBondContact O-N 3.07Å; C965-R967 VanDerWaalsContact C-N 3.34Å; C965-R967 PolarHBondContact O-N 2.92Å; C965-N968 PolarHBondContact O-N 3.17Å; C965-R969 WeakPolarHBondContact O-CB 3.27Å; C965-R969 PolarHBondContact O-N 2.76Å
966	K	98.3	Very high	96.3	Very high	87 Å²	87	42.5 Å²	42.5	38%	0.378	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-37.4	179.1	-74.1	179.2	172.1	169.5	0	112.3	E949 L962 K963 R969 T970	E949-K966 WeakPolarHBondContact OE1-CE 3.46Å; E949-K966 IonicContact OE1-NZ 3.14Å; E949-K966 PolarHBondContact OE1-NZ 3.2Å; L962-K966 HydrophobicContact CD1-CD 4.11Å; L962-K966 HydrophobicContact CD1-CG 4.29Å; L962-K966 HydrophobicContact CG-CD 4.22Å; L962-K966 WeakPolarHBondContact O-CB 3.22Å; L962-K966 WeakPolarHBondContact O-CG 3.29Å; L962-K966 PolarHBondContact O-N 2.99Å; K963-K966 PolarHBondContact O-N 2.85Å; K966-R969 WeakPolarHBondContact O-CB 3.23Å; K966-R969 PolarHBondContact O-N 3.03Å; K966-T970 PolarHBondContact O-N 3.27Å; K966-T970 VanDerWaalsContact O-N 3.11Å; K966-T970 PolarHBondContact O-OG1 2.75Å
967	R	98	Very high	96.3	Very high	44 Å²	44	44.4 Å²	44.4	17%	0.166	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-50.2	174.3	-179.3	-179.9	59.8	62.1	11.7	111.4	K889 K963 G964 C965 R969 T970 C971 L985 Y986	K889-R967 PolarHBondContact O-NH2 3.48Å; K963-R967 VanDerWaalsContact O-CB 3.23Å; K963-R967 WeakPolarHBondContact O-CB 3.4Å; K963-R967 PolarHBondContact O-N 3.39Å; G964-R967 PolarHBondContact O-N 3.06Å; C965-R967 VanDerWaalsContact C-N 3.34Å; C965-R967 PolarHBondContact O-N 2.92Å; R967-R969 VanDerWaalsContact C-N 3.32Å; R967-R969 PolarHBondContact O-N 3.19Å; R967-T970 WeakPolarHBondContact O-CB 3.49Å; R967-T970 PolarHBondContact O-N 3.43Å; R967-C971 PolarHBondContact O-N 3.21Å; R967-C971 VanDerWaalsContact O-N 3.08Å; R967-C971 PolarHBondContact O-SG 3.12Å; R967-L985 VanDerWaalsContact CD-O 3.25Å; R967-L985 WeakPolarHBondContact CD-O 3.46Å; R967-L985 HydrophobicContact CG-CD2 4.3Å; R967-L985 PolarHBondContact NH1-O 3.35Å; R967-Y986 PolarHBondContact NH1-O 2.87Å
968	N	97.7	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.5	-32	179.2	-71.8	-25.2	0	0	0	111.9	I887 K889 Q894 G964 C965 T970 C971 W972	I887-N968 HydrophobicContact CD1-CB 4.36Å; I887-N968 PolarHBondContact O-ND2 2.67Å; K889-N968 PolarHBondContact O-ND2 2.93Å; Q894-N968 HydrophobicContact CG-CB 4.31Å; G964-N968 PolarHBondContact O-N 3.28Å; G964-N968 PolarHBondContact O-ND2 3.48Å; C965-N968 PolarHBondContact O-N 3.17Å; N968-T970 VanDerWaalsContact C-N 3.33Å; N968-T970 PolarHBondContact O-N 3.43Å; N968-C971 WeakPolarHBondContact O-CB 3.24Å; N968-C971 PolarHBondContact O-N 2.84Å; N968-C971 VanDerWaalsContact O-N 3.15Å; N968-W972 PolarHBondContact O-N 3.38Å
969	R	97.9	Very high	95.7	Very high	73 Å²	73	49.3 Å²	49.3	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-54.1	-48.7	168.1	-168.5	-157.3	178.5	-88.7	-6.8	111.7	I940 D941 C965 K966 R967 C971 W972 L973	I940-R969 HydrophobicContact CB-CG 4.45Å; I940-R969 HydrophobicContact CD1-CB 4.19Å; I940-R969 HydrophobicContact CD1-CG 4.4Å; I940-R969 HydrophobicContact CG2-CB 3.86Å; I940-R969 HydrophobicContact CG2-CG 3.84Å; D941-R969 IonicContact OD1-CZ 3.86Å; D941-R969 IonicContact OD1-NE 3.68Å; D941-R969 PolarHBondContact OD1-NE 3.45Å; D941-R969 IonicContact OD1-NH2 3.53Å; D941-R969 PolarHBondContact OD1-NH2 3.19Å; D941-R969 IonicContact OD2-CZ 3.29Å; D941-R969 IonicContact OD2-NE 2.65Å; D941-R969 IonicContact OD2-NH2 3.7Å; D941-R969 PolarHBondContact OD2-NH2 3.02Å; C965-R969 WeakPolarHBondContact O-CB 3.27Å; C965-R969 PolarHBondContact O-N 2.76Å; K966-R969 WeakPolarHBondContact O-CB 3.23Å; K966-R969 PolarHBondContact O-N 3.03Å; R967-R969 VanDerWaalsContact C-N 3.32Å; R967-R969 PolarHBondContact O-N 3.19Å; R969-C971 VanDerWaalsContact C-N 3.31Å; R969-C971 PolarHBondContact O-N 3.3Å; R969-W972 PolarHBondContact O-N 3.46Å; R969-L973 WeakPolarHBondContact O-CB 3.46Å; R969-L973 PolarHBondContact O-N 3.24Å
970	T	97.8	Very high	95.3	Very high	58 Å²	58	53.1 Å²	53.1	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.7	-58.4	0	0	0	0	111.4	K966 R967 N968 W972 L973 I974 L985	K966-T970 PolarHBondContact O-N 3.27Å; K966-T970 VanDerWaalsContact O-N 3.11Å; K966-T970 PolarHBondContact O-OG1 2.75Å; R967-T970 WeakPolarHBondContact O-CB 3.49Å; R967-T970 PolarHBondContact O-N 3.43Å; N968-T970 VanDerWaalsContact C-N 3.33Å; N968-T970 PolarHBondContact O-N 3.43Å; T970-W972 PolarHBondContact O-N 2.9Å; T970-L973 PolarHBondContact O-N 3.36Å; T970-I974 HydrophobicContact CG2-CD1 4.04Å; T970-I974 VanDerWaalsContact O-CG1 3.28Å; T970-I974 WeakPolarHBondContact O-CG1 3.44Å; T970-I974 PolarHBondContact O-N 3.14Å; T970-L985 HydrophobicContact CG2-CD1 4.29Å
971	C	96.7	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-45.1	175.9	-58.9	0	0	0	0	111.8	W891 R967 N968 R969 I974 L975 V981	W891-C971 HydrophobicContact CD2-CB 3.69Å; W891-C971 HydrophobicContact CE3-CB 3.36Å; W891-C971 HydrophobicContact CH2-CB 3.74Å; W891-C971 HydrophobicContact CZ2-CB 4.03Å; W891-C971 HydrophobicContact CZ3-CB 3.38Å; R967-C971 PolarHBondContact O-N 3.21Å; R967-C971 VanDerWaalsContact O-N 3.08Å; R967-C971 PolarHBondContact O-SG 3.12Å; N968-C971 WeakPolarHBondContact O-CB 3.24Å; N968-C971 PolarHBondContact O-N 2.84Å; N968-C971 VanDerWaalsContact O-N 3.15Å; R969-C971 VanDerWaalsContact C-N 3.31Å; R969-C971 PolarHBondContact O-N 3.3Å; C971-I974 PolarHBondContact O-N 2.94Å; C971-L975 PolarHBondContact O-N 3.17Å; C971-V981 HydrophobicContact CB-CG1 4.06Å; C971-V981 HydrophobicContact CB-CG2 4.01Å
972	W	96.4	Very high	94.7	Very high	16 Å²	16	55 Å²	55	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-37.1	176	-75	113.2	0	0	0	113.4	W891 A898 P933 Q936 V937 I940 N968 R969 T970 L975 S976	W891-W972 HydrophobicContact CH2-CD2 4.09Å; W891-W972 AromaticContact CH2-CE2 3.93Å; W891-W972 HydrophobicContact CH2-CE3 4.38Å; W891-W972 HydrophobicContact CH2-CH2 4.43Å; W891-W972 HydrophobicContact CH2-CZ2 4.08Å; W891-W972 HydrophobicContact CZ3-CD2 4.2Å; W891-W972 AromaticContact CZ3-CE2 3.78Å; W891-W972 HydrophobicContact CZ3-CG 4.36Å; W891-W972 HydrophobicContact CZ3-CZ2 4.15Å; W891-W972 AromaticContact CZ3-NE1 3.68Å; A898-W972 HydrophobicContact CB-CH2 3.84Å; A898-W972 HydrophobicContact CB-CZ2 3.4Å; P933-W972 HydrophobicContact CB-CE3 3.96Å; P933-W972 HydrophobicContact CB-CZ3 4.39Å; P933-W972 HydrophobicContact CG-CE3 4.39Å; P933-W972 HydrophobicContact CG-CZ3 4.34Å; Q936-W972 HydrophobicContact CB-CB 4.33Å; Q936-W972 HydrophobicContact CB-CD2 3.61Å; Q936-W972 HydrophobicContact CB-CE3 4Å; Q936-W972 HydrophobicContact CB-CG 3.76Å; Q936-W972 HydrophobicContact CG-CD2 3.91Å; Q936-W972 HydrophobicContact CG-CE3 4.05Å; Q936-W972 HydrophobicContact CG-CH2 4.14Å; Q936-W972 HydrophobicContact CG-CZ2 4.03Å; Q936-W972 HydrophobicContact CG-CZ3 4.15Å; V937-W972 HydrophobicContact CG2-CB 3.76Å; I940-W972 HydrophobicContact CD1-CG 4.36Å; N968-W972 PolarHBondContact O-N 3.38Å; R969-W972 PolarHBondContact O-N 3.46Å; T970-W972 PolarHBondContact O-N 2.9Å; W972-L975 HydrophobicContact CE3-CD1 3.86Å; W972-L975 HydrophobicContact CZ3-CD1 3.84Å; W972-L975 PolarHBondContact O-N 3.35Å; W972-S976 WeakPolarHBondContact O-CB 3.47Å; W972-S976 PolarHBondContact O-N 3.42Å
973	L	96.4	Very high	94.2	Very high	60 Å²	60	59.1 Å²	59.1	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-47.6	174.8	-178.3	63.3	0	0	0	110.9	V937 R969 T970 L975 S976 E977	V937-L973 HydrophobicContact CG2-CB 4.35Å; R969-L973 WeakPolarHBondContact O-CB 3.46Å; R969-L973 PolarHBondContact O-N 3.24Å; T970-L973 PolarHBondContact O-N 3.36Å; L973-L975 VanDerWaalsContact C-N 3.33Å; L973-L975 PolarHBondContact O-N 3.22Å; L973-S976 WeakPolarHBondContact O-CB 3.29Å; L973-S976 PolarHBondContact O-N 3.33Å; L973-S976 VanDerWaalsContact O-N 3.07Å; L973-S976 PolarHBondContact O-OG 2.88Å; L973-E977 PolarHBondContact O-N 3.02Å
974	I	95.6	Very high	93.8	Very high	43 Å²	43	58.6 Å²	58.6	22%	0.221	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-47.7	175.2	-69.2	165.5	0	0	0	110.4	T970 C971 S976 E977 N978 G979 V981 L985	T970-I974 HydrophobicContact CG2-CD1 4.04Å; T970-I974 VanDerWaalsContact O-CG1 3.28Å; T970-I974 WeakPolarHBondContact O-CG1 3.44Å; T970-I974 PolarHBondContact O-N 3.14Å; C971-I974 PolarHBondContact O-N 2.94Å; I974-S976 VanDerWaalsContact C-N 3.32Å; I974-S976 PolarHBondContact O-N 3.42Å; I974-E977 CarbonylContact O-C 3.57Å; I974-E977 PolarHBondContact O-N 2.75Å; I974-N978 PolarHBondContact O-N 3.07Å; I974-G979 WeakPolarHBondContact O-CA 3.25Å; I974-G979 PolarHBondContact O-N 2.87Å; I974-V981 HydrophobicContact CG2-CG2 4.38Å; I974-L985 HydrophobicContact CD1-CD1 3.58Å
975	L	92.2	Very high	93.6	Very high	43 Å²	43	60.2 Å²	60.2	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-35.7	176.6	-72.9	-176	0	0	0	113	W891 P933 C971 W972 L973 E977 N978 V981	W891-L975 HydrophobicContact CH2-CD1 3.63Å; W891-L975 HydrophobicContact CZ2-CD1 3.68Å; W891-L975 HydrophobicContact CZ2-CG 4.39Å; P933-L975 HydrophobicContact CB-CB 4.08Å; P933-L975 HydrophobicContact CG-CB 4.3Å; C971-L975 PolarHBondContact O-N 3.17Å; W972-L975 HydrophobicContact CE3-CD1 3.86Å; W972-L975 HydrophobicContact CZ3-CD1 3.84Å; W972-L975 PolarHBondContact O-N 3.35Å; L973-L975 VanDerWaalsContact C-N 3.33Å; L973-L975 PolarHBondContact O-N 3.22Å; L975-E977 PolarHBondContact O-N 2.98Å; L975-N978 PolarHBondContact O-N 2.77Å; L975-V981 HydrophobicContact CD2-CG2 4.23Å; L975-V981 HydrophobicContact CG-CG2 4.09Å
976	S	92	Very high	93.3	Very high	25 Å²	25	60.4 Å²	60.4	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-20.9	178.3	82	0	0	0	0	113.5	W972 L973 I974	W972-S976 WeakPolarHBondContact O-CB 3.47Å; W972-S976 PolarHBondContact O-N 3.42Å; L973-S976 WeakPolarHBondContact O-CB 3.29Å; L973-S976 PolarHBondContact O-N 3.33Å; L973-S976 VanDerWaalsContact O-N 3.07Å; L973-S976 PolarHBondContact O-OG 2.88Å; I974-S976 VanDerWaalsContact C-N 3.32Å; I974-S976 PolarHBondContact O-N 3.42Å
977	E	92.4	Very high	92.9	Very high	139 Å²	139	57.4 Å²	57.4	65%	0.65	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	8.4	174.5	-63.7	176.6	173	0	0	112.3	L973 I974 L975 G979	L973-E977 PolarHBondContact O-N 3.02Å; I974-E977 CarbonylContact O-C 3.57Å; I974-E977 PolarHBondContact O-N 2.75Å; L975-E977 PolarHBondContact O-N 2.98Å; E977-G979 VanDerWaalsContact C-N 3.29Å; E977-G979 PolarHBondContact O-N 3.24Å
978	N	86.5	Confident	92.2	Very high	158 Å²	158	57.8 Å²	57.8	85%	0.845	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	26.7	-174.4	-53	-59.8	0	0	0	114.9	I974 L975	I974-N978 PolarHBondContact O-N 3.07Å; L975-N978 PolarHBondContact O-N 2.77Å
979	G	88.4	Confident	90.9	Very high	32 Å²	32	65.1 Å²	65.1	33%	0.33	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-83	168.2	172.5	0	0	0	0	0	113.6	I974 E977	I974-G979 WeakPolarHBondContact O-CA 3.25Å; I974-G979 PolarHBondContact O-N 2.87Å; E977-G979 VanDerWaalsContact C-N 3.29Å; E977-G979 PolarHBondContact O-N 3.24Å
980	E	88.5	Confident	88.9	Confident	148 Å²	148	65.3 Å²	65.3	69%	0.692	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-100.4	133.5	173.1	-169.7	174.4	-179.4	0	0	110.1	D982 K1045	E980-D982 PolarHBondContact O-N 2.92Å; E980-K1045 WeakPolarHBondContact OE1-CE 3.39Å
981	V	91	Very high	86.2	Confident	10 Å²	10	70.1 Å²	70.1	6%	0.061	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-76.4	118.4	-179.8	-179.3	0	0	0	0	109.7	W891 C971 I974 L975 L985 Y986	W891-V981 HydrophobicContact CG-CG1 4.37Å; W891-V981 HydrophobicContact CZ2-CG2 3.84Å; C971-V981 HydrophobicContact CB-CG1 4.06Å; C971-V981 HydrophobicContact CB-CG2 4.01Å; I974-V981 HydrophobicContact CG2-CG2 4.38Å; L975-V981 HydrophobicContact CD2-CG2 4.23Å; L975-V981 HydrophobicContact CG-CG2 4.09Å; V981-L985 HydrophobicContact CG1-CB 3.96Å; V981-L985 HydrophobicContact CG1-CD1 4.27Å; V981-Y986 HydrophobicContact CG1-CD1 4.4Å; V981-Y986 HydrophobicContact CG1-CE1 4.2Å
982	D	89.8	Confident	83.3	Confident	96 Å²	96	75.1 Å²	75.1	51%	0.513	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.1	146.3	178.4	-172.8	-87.5	0	0	0	112.5	E980 S984 L985 Y986	E980-D982 PolarHBondContact O-N 2.92Å; D982-S984 PolarHBondContact O-N 2.72Å; D982-S984 WeakPolarHBondContact OD1-CB 3.25Å; D982-S984 PolarHBondContact OD1-N 2.9Å; D982-S984 PolarHBondContact OD1-OG 2.92Å; D982-L985 WeakPolarHBondContact O-CB 3.43Å; D982-L985 PolarHBondContact O-N 2.86Å; D982-Y986 WeakPolarHBondContact O-CD1 3.37Å; D982-Y986 WeakPolarHBondContact O-CE1 3.42Å
983	H	88.8	Confident	80.1	Confident	97 Å²	97	81.3 Å²	81.3	45%	0.449	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-57.4	-30.6	-179.9	-170.3	87	0	0	0	113.1	L985 Y986 E1041	H983-L985 PolarHBondContact O-N 3.23Å; H983-Y986 AromaticContact CE1-CD2 3.82Å; H983-Y986 AromaticContact ND1-CD2 3.42Å; H983-Y986 WeakPolarHBondContact ND1-CD2 3.46Å; H983-Y986 AromaticContact ND1-CE2 3.38Å; H983-Y986 WeakPolarHBondContact ND1-CE2 3.4Å; H983-Y986 VanDerWaalsContact O-CB 3.29Å; H983-Y986 WeakPolarHBondContact O-CB 3.46Å; H983-Y986 PolarHBondContact O-N 3.39Å; H983-E1041 IonicContact CE1-OE2 2.87Å; H983-E1041 IonicContact CG-OE2 2.84Å; H983-E1041 IonicContact ND1-OE2 2.63Å; H983-E1041 PolarHBondContact ND1-OE2 3.2Å
984	S	90	Very high	76.7	Confident	95 Å²	95	84.5 Å²	84.5	66%	0.664	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.3	175.3	62.4	0	0	0	0	113.6	D982 Y986	D982-S984 PolarHBondContact O-N 2.72Å; D982-S984 WeakPolarHBondContact OD1-CB 3.25Å; D982-S984 PolarHBondContact OD1-N 2.9Å; D982-S984 PolarHBondContact OD1-OG 2.92Å; S984-Y986 VanDerWaalsContact C-N 3.31Å
985	L	92.9	Very high	73.4	Confident	40 Å²	40	89 Å²	89	21%	0.209	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-86	0.5	177	-67	173.8	0	0	0	113	R967 T970 I974 V981 D982 H983 G987	R967-L985 VanDerWaalsContact CD-O 3.25Å; R967-L985 WeakPolarHBondContact CD-O 3.46Å; R967-L985 HydrophobicContact CG-CD2 4.3Å; R967-L985 PolarHBondContact NH1-O 3.35Å; T970-L985 HydrophobicContact CG2-CD1 4.29Å; I974-L985 HydrophobicContact CD1-CD1 3.58Å; V981-L985 HydrophobicContact CG1-CB 3.96Å; V981-L985 HydrophobicContact CG1-CD1 4.27Å; D982-L985 WeakPolarHBondContact O-CB 3.43Å; D982-L985 PolarHBondContact O-N 2.86Å; H983-L985 PolarHBondContact O-N 3.23Å; L985-G987 VanDerWaalsContact C-N 3.26Å; L985-G987 PolarHBondContact O-N 3.17Å
986	Y	93.1	Very high	70.3	Confident	4 Å²	4	93 Å²	93	2%	0.016	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-69.6	-25.3	-175.1	-73.7	12	0	0	0	113.5	W891 P892 R967 V981 D982 H983 S984 L988 E1041 A1044	W891-Y986 AromaticContact CD1-CD1 3.7Å; W891-Y986 AromaticContact CD1-CE1 3.84Å; W891-Y986 HydrophobicContact CG-CD1 4.49Å; W891-Y986 PolarHBondContact N-O 3.11Å; P892-Y986 HydrophobicContact CG-CD2 4.33Å; R967-Y986 PolarHBondContact NH1-O 2.87Å; V981-Y986 HydrophobicContact CG1-CD1 4.4Å; V981-Y986 HydrophobicContact CG1-CE1 4.2Å; D982-Y986 WeakPolarHBondContact O-CD1 3.37Å; D982-Y986 WeakPolarHBondContact O-CE1 3.42Å; H983-Y986 AromaticContact CE1-CD2 3.82Å; H983-Y986 AromaticContact ND1-CD2 3.42Å; H983-Y986 WeakPolarHBondContact ND1-CD2 3.46Å; H983-Y986 AromaticContact ND1-CE2 3.38Å; H983-Y986 WeakPolarHBondContact ND1-CE2 3.4Å; H983-Y986 VanDerWaalsContact O-CB 3.29Å; H983-Y986 WeakPolarHBondContact O-CB 3.46Å; H983-Y986 PolarHBondContact O-N 3.39Å; S984-Y986 VanDerWaalsContact C-N 3.31Å; Y986-L988 HydrophobicContact CD2-CD1 4.25Å; Y986-E1041 VanDerWaalsContact CE2-OE2 3.23Å; Y986-E1041 WeakPolarHBondContact CE2-OE2 3.5Å; Y986-A1044 HydrophobicContact CD1-CB 4.43Å; Y986-A1044 HydrophobicContact CD2-CB 4.29Å; Y986-A1044 HydrophobicContact CE1-CB 3.69Å; Y986-A1044 HydrophobicContact CE2-CB 3.5Å; Y986-A1044 VanDerWaalsContact CE2-CB 3.5Å; Y986-A1044 WeakPolarHBondContact OH-CB 3.35Å
987	G	88.6	Confident	67.2	Low	25 Å²	25	95.1 Å²	95.1	26%	0.258	54%	0.542	S	S	.	.			trans	66	36.2	179.2	0	0	0	0	0	113.3	L985	L985-G987 VanDerWaalsContact C-N 3.26Å; L985-G987 PolarHBondContact O-N 3.17Å
988	L	83.5	Confident	63.9	Low	51 Å²	51	94.1 Å²	94.1	27%	0.267	55%	0.545	S	S	.	.			trans	-87.4	-18.6	177.9	-61.8	173.9	0	0	0	113.5	P890 Y986 D990 L1035 A1040	P890-L988 HydrophobicContact CB-CD2 4.23Å; Y986-L988 HydrophobicContact CD2-CD1 4.25Å; L988-D990 PolarHBondContact O-N 2.92Å; L988-L1035 HydrophobicContact CD2-CB 4.27Å; L988-A1040 HydrophobicContact CD1-CB 3.58Å; L988-A1040 HydrophobicContact CD2-CB 3.98Å; L988-A1040 HydrophobicContact CG-CB 4.4Å
989	N	71.4	Confident	60.8	Low	154 Å²	154	92.1 Å²	92.1	82%	0.824	54%	0.544	S	S	*	.			trans	-88.6	105	177.7	-63.5	-21.1	0	0	0	108.6	E991	N989-E991 PolarHBondContact O-N 2.85Å
990	D	55.7	Low	57.7	Low	77 Å²	77	96.2 Å²	96.2	41%	0.412	56%	0.562	S	S	.	*			trans	-63.4	118.7	157.5	-79.4	-13	0	0	0	106.1	S672 L988 S992	S672-D990 VanDerWaalsContact CB-OD1 3.31Å; S672-D990 WeakPolarHBondContact CB-OD1 3.32Å; S672-D990 PolarHBondContact OG-OD1 2.87Å; S672-D990 PolarHBondContact OG-OD2 3.33Å; L988-D990 PolarHBondContact O-N 2.92Å; D990-S992 PolarHBondContact O-N 2.85Å
991	E	41	Very low	54.5	Low	160 Å²	160	98.4 Å²	98.4	75%	0.748	57%	0.573	S	S	*	*			trans	-45.4	115.6	171.3	-71.9	176.7	173.4	0	0	107.6	N989 E993	N989-E991 PolarHBondContact O-N 2.85Å; E991-E993 PolarHBondContact O-N 2.89Å
992	S	35.1	Very low	51.4	Low	104 Å²	104	104.1 Å²	104.1	73%	0.727	61%	0.607	S	S	*	*			trans	-51.8	106.8	169.9	50.1	0	0	0	0	106.7	D990 T994	D990-S992 PolarHBondContact O-N 2.85Å; S992-T994 VanDerWaalsContact C-N 3.34Å; S992-T994 PolarHBondContact O-N 2.92Å
993	E	30.7	Very low	48.2	Very low	147 Å²	147	105.6 Å²	105.6	69%	0.687	62%	0.62	S	S	*	*			trans	-49.3	105.9	170.3	-78.2	173	-168	0	0	106.3	K670 E991 I995	K670-E993 IonicContact NZ-OE1 3.21Å; E991-E993 PolarHBondContact O-N 2.89Å; E993-I995 VanDerWaalsContact C-N 3.31Å; E993-I995 PolarHBondContact O-N 3.48Å
994	T	24.6	Very low	45.1	Very low	127 Å²	127	105.8 Å²	105.8	78%	0.779	64%	0.639	S	S	*	*			trans	-60	98.1	175.2	41.2	0	0	0	0	106.7	S992 P996	S992-T994 VanDerWaalsContact C-N 3.34Å; S992-T994 PolarHBondContact O-N 2.92Å; T994-P996 WeakPolarHBondContact O-CD 3.19Å
995	I	26.4	Very low	41.9	Very low	136 Å²	136	110.4 Å²	110.4	70%	0.697	65%	0.647	S	S	*	*			trans	-59.7	119	159.5	-58.8	175.4	0	0	0	104.6	E993 G997	E993-I995 VanDerWaalsContact C-N 3.31Å; E993-I995 PolarHBondContact O-N 3.48Å; I995-G997 PolarHBondContact O-N 3.35Å
996	P	25.9	Very low	38.5	Very low	129 Å²	129	114 Å²	114	84%	0.838	68%	0.675	S	S	*	*	S	Bend	trans	-61.9	113.9	178.5	-12.6	24.9	0	0	0	107.9	T994	T994-P996 WeakPolarHBondContact O-CD 3.19Å
997	G	26.7	Very low	35.2	Very low	69 Å²	69	121.6 Å²	121.6	71%	0.711	71%	0.714	S	S	*	*			trans	100.3	70.2	174.6	0	0	0	0	0	115	I995	I995-G997 PolarHBondContact O-N 3.35Å
998	T	24	Very low	32	Very low	117 Å²	117	126.2 Å²	126.2	72%	0.718	74%	0.738	S	S	*	*			trans	-151.4	95	140.7	-17	0	0	0	0	109.6	T1000	T998-T1000 PolarHBondContact O-N 2.99Å
999	S	20.6	Very low	29	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	77%	0.765	S	S	*	*			trans	-68.6	107.7	167.7	50.5	0	0	0	0	108.9
1000	T	24	Very low	26.6	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.724	77%	0.766	S	S	*	*			trans	-134.2	100.5	154.5	44	0	0	0	0	108.6	T998 T1002	T998-T1000 PolarHBondContact O-N 2.99Å; T1000-T1002 PolarHBondContact O-N 3.5Å
1001	E	21.4	Very low	25	Very low	194 Å²	194	132.4 Å²	132.4	91%	0.907	79%	0.787	S	S	*	*			trans	-56	116.4	165.7	-68	173.7	148.2	0	0	108.6
1002	T	25	Very low	24.3	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	79%	0.79	S	S	*	*			trans	-127.1	104.8	159.1	-41.9	0	0	0	0	108.3	T1000 A1004	T1000-T1002 PolarHBondContact O-N 3.5Å; T1002-A1004 PolarHBondContact O-N 3.29Å
1003	T	23.3	Very low	23.7	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	80%	0.8	S	S	*	*			trans	-65.1	118.7	-177.2	-10.8	0	0	0	0	109.8	K1005	T1003-K1005 PolarHBondContact O-N 3.05Å
1004	A	24	Very low	23.4	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	80%	0.802	S	S	*	*			trans	-66.3	101.3	171	0	0	0	0	0	109.9	T1002	T1002-A1004 PolarHBondContact O-N 3.29Å
1005	K	22.9	Very low	23.3	Very low	192 Å²	192	129.9 Å²	129.9	84%	0.835	80%	0.803	S	S	*	*			trans	-91	109.6	162.8	-81.6	-175.1	176.4	177.6	0	108.7	T1003 I1007	T1003-K1005 PolarHBondContact O-N 3.05Å; K1005-I1007 PolarHBondContact O-N 3.47Å
1006	S	20.2	Very low	23.2	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	81%	0.807	S	S	*	*			trans	-54	124.8	164.6	-74.3	0	0	0	0	109.9
1007	I	23.6	Very low	23.1	Very low	163 Å²	163	132.3 Å²	132.3	84%	0.836	81%	0.809	S	S	*	*			trans	-104.1	107.8	167.6	-65.1	175.5	0	0	0	106.9	K1005	K1005-I1007 PolarHBondContact O-N 3.47Å
1008	T	21.2	Very low	23	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	82%	0.82	S	S	*	*			trans	-77.6	127	174.4	-26.9	0	0	0	0	109.3
1009	T	21	Very low	23	Very low	136 Å²	136	140 Å²	140	83%	0.834	82%	0.823	S	S	*	*			trans	-66.5	126.5	172.3	22.3	0	0	0	0	111.1
1010	T	22	Very low	23.1	Very low	138 Å²	138	142.3 Å²	142.3	85%	0.847	83%	0.826	S	S	*	*			trans	-132.7	135.5	156.3	27.3	0	0	0	0	109.7
1011	T	22.3	Very low	23.2	Very low	139 Å²	139	142.1 Å²	142.1	85%	0.853	83%	0.825	S	S	*	*			trans	-76.6	135.8	-175.1	44.9	0	0	0	0	112.4
1012	A	26.2	Very low	23.2	Very low	99 Å²	99	140.3 Å²	140.3	82%	0.818	82%	0.82	S	S	*	*			trans	-164.2	114.5	149	0	0	0	0	0	111.8
1013	E	21.8	Very low	23.3	Very low	201 Å²	201	139.1 Å²	139.1	94%	0.939	81%	0.813	S	S	*	*			trans	-5	140.1	147.9	-60.2	169.5	169.3	0	0	119.9
1014	G	24.6	Very low	23.3	Very low	70 Å²	70	138 Å²	138	72%	0.722	81%	0.81	S	S	*	*			trans	144.6	93.3	152.3	0	0	0	0	0	117.8
1015	S	23.2	Very low	23.5	Very low	114 Å²	114	139 Å²	139	80%	0.797	81%	0.805	S	S	*	*			trans	60.4	107.1	135.8	-48	0	0	0	0	121.9
1016	T	23.4	Very low	23.9	Very low	129 Å²	129	134.3 Å²	134.3	79%	0.791	80%	0.797	S	S	*	*			trans	37.3	108.1	133.7	56.6	0	0	0	0	119.9
1017	Q	24.6	Very low	24.5	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	80%	0.795	S	S	*	*				-168.4	127.9	120.7	-102.5	170.3	36.4	0	0	109.8	E1019	Q1017-E1019 PolarHBondContact O-N 3.39Å
1018	L	23.8	Very low	25.3	Very low	182 Å²	182	134.6 Å²	134.6	95%	0.953	79%	0.79	S	S	*	*			trans	-66.8	105	169.1	-91.9	87.6	0	0	0	108.7
1019	E	23.1	Very low	26.3	Very low	166 Å²	166	136 Å²	136	78%	0.776	79%	0.792	S	S	*	*			trans	-134.1	112.8	156	-94.3	-174	167.4	0	0	109.1	Q1017 V1021	Q1017-E1019 PolarHBondContact O-N 3.39Å; E1019-V1021 PolarHBondContact O-N 2.88Å
1020	N	23.8	Very low	27.9	Very low	165 Å²	165	132.2 Å²	132.2	88%	0.882	77%	0.768	S	S	*	*			trans	-4	77.1	160.7	-63.8	-27.7	0	0	0	116.2	I1022	N1020-I1022 PolarHBondContact O-N 3.49Å
1021	V	24.9	Very low	30.2	Very low	114 Å²	114	127 Å²	127	69%	0.691	74%	0.737	S	S	*	*			trans	-80.1	98.9	157.6	-178.5	0	0	0	0	105.8	E1019 T1023	E1019-V1021 PolarHBondContact O-N 2.88Å; V1021-T1023 HydrophobicContact CG1-CG2 3.87Å; V1021-T1023 PolarHBondContact O-N 3.39Å; V1021-T1023 PolarHBondContact O-OG1 2.84Å
1022	I	22.2	Very low	33	Very low	156 Å²	156	122.2 Å²	122.2	80%	0.8	71%	0.706	S	S	*	*			trans	-60.2	79.3	153.2	-61.2	170.3	0	0	0	105.1	N1020 S1024	N1020-I1022 PolarHBondContact O-N 3.49Å; I1022-S1024 PolarHBondContact O-N 2.77Å; I1022-S1024 VanDerWaalsContact O-N 3.13Å
1023	T	26.5	Very low	35.7	Very low	105 Å²	105	117.6 Å²	117.6	64%	0.644	67%	0.668	S	S	*	*			trans	-69.8	108.9	165.5	6.7	0	0	0	0	104.4	V1021 T1025	V1021-T1023 HydrophobicContact CG1-CG2 3.87Å; V1021-T1023 PolarHBondContact O-N 3.39Å; V1021-T1023 PolarHBondContact O-OG1 2.84Å; T1023-T1025 PolarHBondContact O-N 2.89Å
1024	S	24.1	Very low	38.8	Very low	105 Å²	105	110 Å²	110	73%	0.734	64%	0.636	S	S	*	*			trans	-51.2	76.9	161	-46	0	0	0	0	109.6	I1022 S1026	I1022-S1024 PolarHBondContact O-N 2.77Å; I1022-S1024 VanDerWaalsContact O-N 3.13Å; S1024-S1026 PolarHBondContact O-N 3.49Å
1025	T	27.7	Very low	41.7	Very low	120 Å²	120	107.7 Å²	107.7	74%	0.736	61%	0.607	S	S	*	*			trans	-66.3	78.7	145.8	34	0	0	0	0	105.1	T1023 N1027	T1023-T1025 PolarHBondContact O-N 2.89Å; T1025-N1027 VanDerWaalsContact C-N 3.27Å; T1025-N1027 PolarHBondContact O-N 2.81Å
1026	S	30.6	Very low	44.5	Very low	94 Å²	94	104 Å²	104	66%	0.657	58%	0.578	S	S	*	*			trans	-45.2	105.8	151.8	37.4	0	0	0	0	105.8	S1024 I1028	S1024-S1026 PolarHBondContact O-N 3.49Å; S1026-I1028 VanDerWaalsContact C-N 3.29Å; S1026-I1028 PolarHBondContact O-N 3.34Å
1027	N	33.3	Very low	47.2	Very low	144 Å²	144	101.8 Å²	101.8	77%	0.77	57%	0.566	S	S	*	*			trans	-48.6	95.8	175.3	-70.4	-41.6	0	0	0	107.9	T1025 I1029	T1025-N1027 VanDerWaalsContact C-N 3.27Å; T1025-N1027 PolarHBondContact O-N 2.81Å; N1027-I1029 HydrophobicContact CB-CG1 4.42Å; N1027-I1029 PolarHBondContact O-N 2.96Å
1028	I	40.7	Very low	49.9	Very low	141 Å²	141	98.6 Å²	98.6	72%	0.723	56%	0.555	S	S	*	*			trans	-69	89.3	163.8	-58.3	176.7	0	0	0	103.3	S1026 T1030	S1026-I1028 VanDerWaalsContact C-N 3.29Å; S1026-I1028 PolarHBondContact O-N 3.34Å; I1028-T1030 HydrophobicContact CG2-CG2 3.73Å; I1028-T1030 PolarHBondContact O-N 3.42Å
1029	I	42.5	Very low	52.6	Low	152 Å²	152	91.2 Å²	91.2	78%	0.779	52%	0.519	S	S	*	.			trans	-63.3	85.4	164.3	-60.5	173.1	0	0	0	104.6	N1027 S1031	N1027-I1029 HydrophobicContact CB-CG1 4.42Å; N1027-I1029 PolarHBondContact O-N 2.96Å; I1029-S1031 PolarHBondContact O-N 3.46Å; I1029-S1031 VanDerWaalsContact O-N 3.14Å
1030	T	54.8	Low	55.5	Low	55 Å²	55	83.3 Å²	83.3	34%	0.337	48%	0.482	S	S	.	.			trans	-63.9	113.7	170.7	47.4	0	0	0	0	106.7	R677 I1028 N1036	R677-T1030 PolarHBondContact NH1-OG1 3.32Å; I1028-T1030 HydrophobicContact CG2-CG2 3.73Å; I1028-T1030 PolarHBondContact O-N 3.42Å; T1030-N1036 HydrophobicContact CG2-CB 4.37Å
1031	S	69.7	Low	58.4	Low	29 Å²	29	78 Å²	78	20%	0.203	45%	0.451	C	S	.	.			trans	-58.1	147.3	-178.7	54.8	0	0	0	0	112.7	H667 R677 I1029 T1034	H667-S1031 WeakPolarHBondContact CE1-CB 3.22Å; H667-S1031 PolarHBondContact CE1-OG 2.96Å; H667-S1031 PolarHBondContact ND1-OG 2.63Å; H667-S1031 PolarHBondContact NE2-OG 2.86Å; R677-S1031 PolarHBondContact NH2-O 3.44Å; I1029-S1031 PolarHBondContact O-N 3.46Å; I1029-S1031 VanDerWaalsContact O-N 3.14Å; S1031-T1034 PolarHBondContact O-OG1 3.23Å; S1031-T1034 PolarHBondContact OG-OG1 2.9Å
1032	L	82	Confident	61.3	Low	38 Å²	38	80.2 Å²	80.2	20%	0.199	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	142.5	168.7	-77.5	159.4	0	0	0	109.1	F665 Y666 H667 R677 L678	F665-L1032 HydrophobicContact CE1-CB 4.44Å; F665-L1032 HydrophobicContact CE1-CD1 3.5Å; F665-L1032 VanDerWaalsContact CE1-CD1 3.5Å; F665-L1032 HydrophobicContact CZ-CD1 3.7Å; F665-L1032 VanDerWaalsContact O-O 3.12Å; Y666-L1032 CarbonylContact C-O 3.26Å; Y666-L1032 VanDerWaalsContact C-O 3.26Å; Y666-L1032 WeakPolarHBondContact CA-O 3.38Å; Y666-L1032 HydrophobicContact CD1-CB 4.08Å; Y666-L1032 HydrophobicContact CE1-CD1 4.32Å; H667-L1032 PolarHBondContact ND1-O 3.27Å; R677-L1032 HydrophobicContact CB-CD2 4.26Å; R677-L1032 WeakPolarHBondContact O-CD2 3.44Å; L678-L1032 HydrophobicContact CD1-CB 4.11Å; L678-L1032 HydrophobicContact CD1-CD2 3.87Å; L678-L1032 HydrophobicContact CG-CD2 4.4Å
1033	G	83.1	Confident	64.2	Low	2 Å²	2	73.1 Å²	73.1	2%	0.021	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	-4.5	-173.9	0	0	0	0	0	115.4	Y666 F673 T674	Y666-G1033 WeakPolarHBondContact O-CA 3.27Å; F673-G1033 WeakPolarHBondContact CA-O 3.42Å; T674-G1033 WeakPolarHBondContact CG2-O 3.27Å; T674-G1033 PolarHBondContact N-O 3Å; T674-G1033 CarbonylContact O-C 3.51Å; T674-G1033 VanDerWaalsContact O-CA 3.29Å; T674-G1033 WeakPolarHBondContact O-CA 3.35Å
1034	T	86.7	Confident	66.9	Low	43 Å²	43	68.7 Å²	68.7	26%	0.264	39%	0.385	S	S	.	.	S	Bend	trans	-120.9	162.8	175.3	62.5	0	0	0	0	111.5	T674 R677 S1031	T674-T1034 VanDerWaalsContact CG2-C 3.44Å; R677-T1034 PolarHBondContact NE-O 3.05Å; R677-T1034 PolarHBondContact NH2-O 3.14Å; R677-T1034 PolarHBondContact NH2-OG1 2.52Å; R677-T1034 VanDerWaalsContact NH2-OG1 3.14Å; S1031-T1034 PolarHBondContact O-OG1 3.23Å; S1031-T1034 PolarHBondContact OG-OG1 2.9Å
1035	L	84	Confident	69.7	Low	20 Å²	20	69.3 Å²	69.3	11%	0.105	38%	0.375	C	S	.	.			trans	-94.6	142.1	170.4	-92.5	154.9	0	0	0	110.2	T674 P892 V893 L988 A1040 I1043	T674-L1035 HydrophobicContact CG2-CD1 4.36Å; T674-L1035 HydrophobicContact CG2-CG 4.01Å; P892-L1035 HydrophobicContact CB-CD1 4.23Å; V893-L1035 HydrophobicContact CG2-CD1 3.24Å; V893-L1035 HydrophobicContact CG2-CG 4.38Å; L988-L1035 HydrophobicContact CD2-CB 4.27Å; L1035-A1040 HydrophobicContact CB-CB 4.41Å; L1035-I1043 HydrophobicContact CD2-CD1 4.21Å
1036	N	82.3	Confident	72.3	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.193	35%	0.345	C	S	.	.			trans	-74.2	148.1	166.3	68.7	-21.7	0	0	0	109.9	T1030 D1038 S1039 A1040	T1030-N1036 HydrophobicContact CG2-CB 4.37Å; N1036-D1038 VanDerWaalsContact C-N 3.26Å; N1036-D1038 PolarHBondContact O-N 3.1Å; N1036-S1039 VanDerWaalsContact CG-OG 3.31Å; N1036-S1039 PolarHBondContact ND2-OG 2.87Å; N1036-S1039 PolarHBondContact O-N 3.01Å; N1036-S1039 WeakPolarHBondContact OD1-CA 3.03Å; N1036-S1039 WeakPolarHBondContact OD1-CB 3.28Å; N1036-S1039 PolarHBondContact OD1-N 3.01Å; N1036-S1039 VanDerWaalsContact OD1-N 3.07Å; N1036-S1039 PolarHBondContact OD1-OG 3.38Å; N1036-A1040 WeakPolarHBondContact O-CB 3.23Å; N1036-A1040 PolarHBondContact O-N 3.13Å
1037	P	80.4	Confident	74.2	Confident	84 Å²	84	67.6 Å²	67.6	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-55.1	-40.2	179	-27.8	35.6	0	0	0	113.3	A1040 E1041	P1037-A1040 WeakPolarHBondContact O-CB 3.46Å; P1037-A1040 PolarHBondContact O-N 3.2Å; P1037-E1041 WeakPolarHBondContact O-CB 3.48Å; P1037-E1041 PolarHBondContact O-N 3.27Å
1038	D	81.5	Confident	75.7	Confident	119 Å²	119	64.7 Å²	64.7	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-67.9	-38.6	-177.3	-61.2	-29.8	0	0	0	113.9	N1036 R1042	N1036-D1038 VanDerWaalsContact C-N 3.26Å; N1036-D1038 PolarHBondContact O-N 3.1Å; D1038-R1042 WeakPolarHBondContact O-CB 3.31Å; D1038-R1042 PolarHBondContact O-N 2.91Å
1039	S	80.6	Confident	76.8	Confident	28 Å²	28	60.8 Å²	60.8	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-78	-33.2	175.9	-45.4	0	0	0	0	110.8	N1036 E1041 R1042 I1043	N1036-S1039 VanDerWaalsContact CG-OG 3.31Å; N1036-S1039 PolarHBondContact ND2-OG 2.87Å; N1036-S1039 PolarHBondContact O-N 3.01Å; N1036-S1039 WeakPolarHBondContact OD1-CA 3.03Å; N1036-S1039 WeakPolarHBondContact OD1-CB 3.28Å; N1036-S1039 PolarHBondContact OD1-N 3.01Å; N1036-S1039 VanDerWaalsContact OD1-N 3.07Å; N1036-S1039 PolarHBondContact OD1-OG 3.38Å; S1039-E1041 VanDerWaalsContact C-N 3.34Å; S1039-E1041 PolarHBondContact O-N 2.94Å; S1039-R1042 PolarHBondContact O-N 2.94Å; S1039-I1043 WeakPolarHBondContact O-CB 3.48Å; S1039-I1043 WeakPolarHBondContact O-CD1 3.31Å; S1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; S1039-I1043 PolarHBondContact O-N 2.99Å
1040	A	84.3	Confident	77.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-48.5	173.2	0	0	0	0	0	111.3	P892 L988 L1035 N1036 P1037 I1043 A1044	P892-A1040 HydrophobicContact CB-CB 4.36Å; P892-A1040 HydrophobicContact CG-CB 3.8Å; L988-A1040 HydrophobicContact CD1-CB 3.58Å; L988-A1040 HydrophobicContact CD2-CB 3.98Å; L988-A1040 HydrophobicContact CG-CB 4.4Å; L1035-A1040 HydrophobicContact CB-CB 4.41Å; N1036-A1040 WeakPolarHBondContact O-CB 3.23Å; N1036-A1040 PolarHBondContact O-N 3.13Å; P1037-A1040 WeakPolarHBondContact O-CB 3.46Å; P1037-A1040 PolarHBondContact O-N 3.2Å; A1040-I1043 PolarHBondContact O-N 3.49Å; A1040-A1044 VanDerWaalsContact O-CB 3.29Å; A1040-A1044 WeakPolarHBondContact O-CB 3.46Å; A1040-A1044 PolarHBondContact O-N 3.11Å
1041	E	85.2	Confident	77.4	Confident	52 Å²	52	54 Å²	54	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-45.8	175.6	-169.2	70.5	-168.9	0	0	111.7	H983 Y986 P1037 S1039 I1043 A1044 K1045	H983-E1041 IonicContact CE1-OE2 2.87Å; H983-E1041 IonicContact CG-OE2 2.84Å; H983-E1041 IonicContact ND1-OE2 2.63Å; H983-E1041 PolarHBondContact ND1-OE2 3.2Å; Y986-E1041 VanDerWaalsContact CE2-OE2 3.23Å; Y986-E1041 WeakPolarHBondContact CE2-OE2 3.5Å; P1037-E1041 WeakPolarHBondContact O-CB 3.48Å; P1037-E1041 PolarHBondContact O-N 3.27Å; S1039-E1041 VanDerWaalsContact C-N 3.34Å; S1039-E1041 PolarHBondContact O-N 2.94Å; E1041-I1043 PolarHBondContact O-N 2.93Å; E1041-A1044 PolarHBondContact O-N 3.32Å; E1041-K1045 HydrophobicContact CG-CD 4.27Å; E1041-K1045 WeakPolarHBondContact O-CB 3.28Å; E1041-K1045 PolarHBondContact O-N 3.44Å; E1041-K1045 WeakPolarHBondContact OE1-CD 3.17Å; E1041-K1045 WeakPolarHBondContact OE1-CE 3.4Å; E1041-K1045 IonicContact OE1-NZ 2.67Å; E1041-K1045 PolarHBondContact OE1-NZ 3.34Å
1042	R	84.5	Confident	76.4	Confident	161 Å²	161	54 Å²	54	61%	0.608	28%	0.279	S	S	*	.	H	α-helix	trans	-61.1	-41.8	179.2	-127.5	-175.5	-58.7	-165	1.6	113	D1038 S1039 S1046	D1038-R1042 WeakPolarHBondContact O-CB 3.31Å; D1038-R1042 PolarHBondContact O-N 2.91Å; S1039-R1042 PolarHBondContact O-N 2.94Å; R1042-S1046 PolarHBondContact O-N 3.48Å; R1042-S1046 VanDerWaalsContact O-N 3.1Å
1043	I	83.6	Confident	74.9	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-73.9	-42	-179.9	-66.2	163.6	0	0	0	110.1	P892 K895 L896 L1035 S1039 A1040 E1041 K1045 S1046 I1054	P892-I1043 HydrophobicContact CB-CB 4.08Å; P892-I1043 HydrophobicContact CB-CG2 3.97Å; P892-I1043 WeakPolarHBondContact O-CG2 3.3Å; K895-I1043 PolarHBondContact NZ-O 3.11Å; L896-I1043 HydrophobicContact CB-CG2 4.31Å; L1035-I1043 HydrophobicContact CD2-CD1 4.21Å; S1039-I1043 WeakPolarHBondContact O-CB 3.48Å; S1039-I1043 WeakPolarHBondContact O-CD1 3.31Å; S1039-I1043 WeakPolarHBondContact O-CG1 3.24Å; S1039-I1043 PolarHBondContact O-N 2.99Å; A1040-I1043 PolarHBondContact O-N 3.49Å; E1041-I1043 PolarHBondContact O-N 2.93Å; I1043-K1045 VanDerWaalsContact C-N 3.31Å; I1043-K1045 PolarHBondContact O-N 3.12Å; I1043-S1046 PolarHBondContact O-N 2.65Å; I1043-S1046 PolarHBondContact O-OG 3.42Å; I1043-I1054 HydrophobicContact CG1-CG2 4.37Å
1044	A	84	Confident	73.1	Confident	12 Å²	12	59.1 Å²	59.1	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-36.9	179	0	0	0	0	0	112.2	P892 K895 Y986 A1040 E1041	P892-A1044 HydrophobicContact CG-CB 4.32Å; K895-A1044 PolarHBondContact NZ-O 2.94Å; Y986-A1044 HydrophobicContact CD1-CB 4.43Å; Y986-A1044 HydrophobicContact CD2-CB 4.29Å; Y986-A1044 HydrophobicContact CE1-CB 3.69Å; Y986-A1044 HydrophobicContact CE2-CB 3.5Å; Y986-A1044 VanDerWaalsContact CE2-CB 3.5Å; Y986-A1044 WeakPolarHBondContact OH-CB 3.35Å; A1040-A1044 VanDerWaalsContact O-CB 3.29Å; A1040-A1044 WeakPolarHBondContact O-CB 3.46Å; A1040-A1044 PolarHBondContact O-N 3.11Å; E1041-A1044 PolarHBondContact O-N 3.32Å
1045	K	83.1	Confident	71.1	Confident	119 Å²	119	59.3 Å²	59.3	52%	0.517	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.2	177.7	-71.4	-177.3	165	165.6	0	115.5	E980 E1041 I1043	E980-K1045 WeakPolarHBondContact OE1-CE 3.39Å; E1041-K1045 HydrophobicContact CG-CD 4.27Å; E1041-K1045 WeakPolarHBondContact O-CB 3.28Å; E1041-K1045 PolarHBondContact O-N 3.44Å; E1041-K1045 WeakPolarHBondContact OE1-CD 3.17Å; E1041-K1045 WeakPolarHBondContact OE1-CE 3.4Å; E1041-K1045 IonicContact OE1-NZ 2.67Å; E1041-K1045 PolarHBondContact OE1-NZ 3.34Å; I1043-K1045 VanDerWaalsContact C-N 3.31Å; I1043-K1045 PolarHBondContact O-N 3.12Å
1046	S	80.5	Confident	69.1	Low	16 Å²	16	67.4 Å²	67.4	11%	0.112	33%	0.331	C	S	.	.	S	Bend	trans	-58	149.6	175.5	65.7	0	0	0	0	111	K895 R1042 I1043 S1051	K895-S1046 PolarHBondContact NZ-O 2.94Å; K895-S1046 PolarHBondContact NZ-OG 3.46Å; R1042-S1046 PolarHBondContact O-N 3.48Å; R1042-S1046 VanDerWaalsContact O-N 3.1Å; I1043-S1046 PolarHBondContact O-N 2.65Å; I1043-S1046 PolarHBondContact O-OG 3.42Å; S1046-S1051 PolarHBondContact OG-OG 3.14Å
1047	K	70.7	Confident	66.9	Low	161 Å²	161	68.7 Å²	68.7	70%	0.7	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-65.1	143	169.5	-70.1	-176.1	178.7	-178	0	109.1	F1049 T1050	K1047-F1049 PolarHBondContact O-N 2.92Å; K1047-T1050 HydrophobicContact CB-CG2 3.86Å; K1047-T1050 PolarHBondContact N-OG1 3.39Å; K1047-T1050 WeakPolarHBondContact O-CB 3.33Å; K1047-T1050 PolarHBondContact O-N 2.86Å; K1047-T1050 PolarHBondContact O-OG1 3.07Å
1048	P	66.2	Low	64.8	Low	83 Å²	83	67.8 Å²	67.8	54%	0.539	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	136.1	173	-27	34.1	0	0	0	111.2	E899 T1050	E899-P1048 WeakPolarHBondContact OE1-CA 3.43Å; P1048-T1050 PolarHBondContact O-N 2.7Å
1049	F	64.1	Low	62.5	Low	59 Å²	59	66.5 Å²	66.5	26%	0.259	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	6.6	-179.2	-44.5	-82.9	0	0	0	116.5	E899 A902 F906 L932 K1047	E899-F1049 PolarHBondContact OE1-N 3.39Å; E899-F1049 VanDerWaalsContact OE1-N 3.07Å; E899-F1049 PolarHBondContact OE2-N 3.06Å; A902-F1049 HydrophobicContact CB-CE1 4.09Å; F906-F1049 HydrophobicContact CE2-CD1 4.38Å; F906-F1049 AromaticContact CE2-CE1 3.6Å; F906-F1049 HydrophobicContact CE2-CE1 3.6Å; F906-F1049 AromaticContact CE2-CZ 3.99Å; F906-F1049 HydrophobicContact CE2-CZ 3.99Å; F906-F1049 HydrophobicContact CZ-CE1 4.27Å; F906-F1049 HydrophobicContact CZ-CZ 4.34Å; L932-F1049 HydrophobicContact CD1-CE1 3.45Å; L932-F1049 VanDerWaalsContact CD1-CE1 3.45Å; L932-F1049 HydrophobicContact CD1-CE2 4.41Å; L932-F1049 HydrophobicContact CD1-CZ 3.2Å; L932-F1049 HydrophobicContact CG-CZ 4.1Å; K1047-F1049 PolarHBondContact O-N 2.92Å
1050	T	56.3	Low	60	Low	64 Å²	64	70.1 Å²	70.1	39%	0.393	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-11.4	171.4	67.2	0	0	0	0	112.9	K1047 P1048	K1047-T1050 HydrophobicContact CB-CG2 3.86Å; K1047-T1050 PolarHBondContact N-OG1 3.39Å; K1047-T1050 WeakPolarHBondContact O-CB 3.33Å; K1047-T1050 PolarHBondContact O-N 2.86Å; K1047-T1050 PolarHBondContact O-OG1 3.07Å; P1048-T1050 PolarHBondContact O-N 2.7Å
1051	S	51.7	Low	57.3	Low	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-26.1	-174.3	-25.7	0	0	0	0	113.6	L896 E899 S1046 N1053 I1054 R1055	L896-S1051 WeakPolarHBondContact CD1-O 3.41Å; E899-S1051 PolarHBondContact OE1-OG 3.33Å; E899-S1051 WeakPolarHBondContact OE2-CB 3.42Å; E899-S1051 PolarHBondContact OE2-N 3.09Å; E899-S1051 PolarHBondContact OE2-OG 2.92Å; S1046-S1051 PolarHBondContact OG-OG 3.14Å; S1051-N1053 PolarHBondContact O-N 3.49Å; S1051-I1054 WeakPolarHBondContact O-CA 3.34Å; S1051-I1054 VanDerWaalsContact O-CB 3.26Å; S1051-I1054 WeakPolarHBondContact O-CB 3.43Å; S1051-I1054 PolarHBondContact O-N 3.33Å; S1051-R1055 PolarHBondContact O-N 3.35Å
1052	S	50.5	Low	54.5	Low	29 Å²	29	80 Å²	80	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-58.5	-35.8	-179.3	57.6	0	0	0	0	112.2	I1054 R1055	S1052-I1054 VanDerWaalsContact C-N 3.26Å; S1052-I1054 PolarHBondContact O-N 3.23Å; S1052-R1055 PolarHBondContact O-N 3.21Å
1053	N	49.2	Very low	51.6	Low	100 Å²	100	78.7 Å²	78.7	54%	0.535	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-29.3	173.8	-71.1	-27.5	0	0	0	112.6	S1051 R1056 A1057	S1051-N1053 PolarHBondContact O-N 3.49Å; N1053-R1056 PolarHBondContact O-N 3.19Å; N1053-A1057 WeakPolarHBondContact O-CB 3.18Å; N1053-A1057 PolarHBondContact O-N 3.12Å
1054	I	45.9	Very low	48.8	Very low	48 Å²	48	84 Å²	84	25%	0.246	47%	0.466	C	S	.	.	H	α-helix	trans	-72.1	-34	-178.6	-54.8	177.3	0	0	0	111.3	I1043 S1051 S1052 S1058	I1043-I1054 HydrophobicContact CG1-CG2 4.37Å; S1051-I1054 WeakPolarHBondContact O-CA 3.34Å; S1051-I1054 VanDerWaalsContact O-CB 3.26Å; S1051-I1054 WeakPolarHBondContact O-CB 3.43Å; S1051-I1054 PolarHBondContact O-N 3.33Å; S1052-I1054 VanDerWaalsContact C-N 3.26Å; S1052-I1054 PolarHBondContact O-N 3.23Å; I1054-S1058 PolarHBondContact O-N 2.79Å; I1054-S1058 VanDerWaalsContact O-N 3.09Å; I1054-S1058 PolarHBondContact O-OG 3.35Å
1055	R	44	Very low	46	Very low	48 Å²	48	90.5 Å²	90.5	18%	0.181	50%	0.504	C	S	.	.	H	α-helix	trans	-67.3	-44.7	174	-156.2	-175.3	-169.9	174.5	1.6	111.2	D675 L896 S1051 S1052 S1058	D675-R1055 IonicContact OD1-NH2 3.92Å; D675-R1055 PolarHBondContact OD1-NH2 2.81Å; D675-R1055 IonicContact OD2-NH2 3.7Å; D675-R1055 PolarHBondContact OD2-NH2 2.81Å; L896-R1055 HydrophobicContact CD1-CB 4.39Å; L896-R1055 HydrophobicContact CD2-CB 4.27Å; L896-R1055 HydrophobicContact CD2-CG 4.15Å; S1051-R1055 PolarHBondContact O-N 3.35Å; S1052-R1055 PolarHBondContact O-N 3.21Å; R1055-S1058 PolarHBondContact O-N 3.13Å
1056	R	42.5	Very low	43.2	Very low	190 Å²	190	88.8 Å²	88.8	72%	0.717	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-42	175.3	-95.1	-172.6	-98.1	159.6	-8.1	112.4	N1053 S1058 V1059 S1060	N1053-R1056 PolarHBondContact O-N 3.19Å; R1056-S1058 VanDerWaalsContact C-N 3.34Å; R1056-S1058 PolarHBondContact O-N 2.97Å; R1056-V1059 PolarHBondContact O-N 3.1Å; R1056-S1060 PolarHBondContact O-N 3.32Å
1057	A	37.3	Very low	40.6	Very low	62 Å²	62	90.3 Å²	90.3	51%	0.512	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-30.1	178.9	0	0	0	0	0	113.8	N1053 V1059	N1053-A1057 WeakPolarHBondContact O-CB 3.18Å; N1053-A1057 PolarHBondContact O-N 3.12Å; A1057-V1059 PolarHBondContact O-N 2.66Å
1058	S	35	Very low	38.5	Very low	66 Å²	66	92 Å²	92	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-71.1	-21.1	178.3	-60.9	0	0	0	0	112.8	I1054 R1055 R1056	I1054-S1058 PolarHBondContact O-N 2.79Å; I1054-S1058 VanDerWaalsContact O-N 3.09Å; I1054-S1058 PolarHBondContact O-OG 3.35Å; R1055-S1058 PolarHBondContact O-N 3.13Å; R1056-S1058 VanDerWaalsContact C-N 3.34Å; R1056-S1058 PolarHBondContact O-N 2.97Å
1059	V	34.5	Very low	36.7	Very low	92 Å²	92	95.5 Å²	95.5	56%	0.558	56%	0.558	S	S	*	*	H	α-helix	trans	-92.9	-27.8	179.4	-175.1	0	0	0	0	112	R1056 A1057 S1061	R1056-V1059 PolarHBondContact O-N 3.1Å; A1057-V1059 PolarHBondContact O-N 2.66Å; V1059-S1061 PolarHBondContact O-N 2.95Å; V1059-S1061 VanDerWaalsContact O-N 3.11Å
1060	S	27.7	Very low	34.9	Very low	104 Å²	104	97.7 Å²	97.7	73%	0.727	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	1.8	-173.8	106.1	0	0	0	0	115.4	R1056	R1056-S1060 PolarHBondContact O-N 3.32Å
1061	S	26.7	Very low	33.5	Very low	97 Å²	97	100.5 Å²	100.5	68%	0.678	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-2.5	-180	64.9	0	0	0	0	115	V1059	V1059-S1061 PolarHBondContact O-N 2.95Å; V1059-S1061 VanDerWaalsContact O-N 3.11Å
1062	M	26.4	Very low	32.4	Very low	163 Å²	163	106.8 Å²	106.8	80%	0.803	63%	0.629	S	S	*	*	S	Bend	trans	-143.6	81.3	176.9	-73.1	-154.7	157.5	0	0	112.2
1063	T	24.8	Very low	31.2	Very low	132 Å²	132	113.7 Å²	113.7	81%	0.81	66%	0.658	S	S	*	*			trans	-178.8	103.7	141.2	19.8	0	0	0	0	109.5
1064	T	24	Very low	30.1	Very low	119 Å²	119	114 Å²	114	73%	0.73	67%	0.667	S	S	*	*			trans	-131	90.2	154.3	-30.8	0	0	0	0	107.8
1065	V	25.6	Very low	29.1	Very low	149 Å²	149	120.6 Å²	120.6	90%	0.903	70%	0.697	S	S	*	*	S	Bend	trans	-109.8	99.4	153.9	-177.4	0	0	0	0	105.5
1066	G	23.8	Very low	28.4	Very low	82 Å²	82	123.6 Å²	123.6	85%	0.845	73%	0.725	S	S	*	*	S	Bend	trans	93.7	22.3	155	0	0	0	0	0	119.9
1067	G	26.8	Very low	27.8	Very low	48 Å²	48	119.3 Å²	119.3	50%	0.495	73%	0.725	S	S	.	*			trans	-125.7	112.9	169.3	0	0	0	0	0	111	E1069	G1067-E1069 PolarHBondContact O-N 3.07Å
1068	Q	25.2	Very low	27.6	Very low	198 Å²	198	123.4 Å²	123.4	93%	0.925	74%	0.743	S	S	*	*			trans	-62.4	113.8	167.8	-74.8	177.5	-23.6	0	0	108.4
1069	E	29.7	Very low	27.4	Very low	156 Å²	156	129 Å²	129	73%	0.729	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64.9	131.3	167.4	-79.8	-178.2	151.3	0	0	109.4	G1067	G1067-E1069 PolarHBondContact O-N 3.07Å
1070	P	26.3	Very low	27	Very low	105 Å²	105	130.3 Å²	130.3	68%	0.682	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.5	141.6	162	24.1	-22.1	0	0	0	108.6	I1072	P1070-I1072 PolarHBondContact O-N 2.83Å
1071	P	26.4	Very low	27.2	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.6	-171.7	24.3	-32.2	0	0	0	110.3	Q1073	P1071-Q1073 PolarHBondContact O-N 2.98Å
1072	I	28.4	Very low	27.3	Very low	133 Å²	133	140.9 Å²	140.9	68%	0.682	81%	0.805	S	S	*	*			trans	-63.1	101.2	167.3	-62.8	170.8	0	0	0	106.5	P1070 C1074	P1070-I1072 PolarHBondContact O-N 2.83Å; I1072-C1074 PolarHBondContact O-N 3Å
1073	Q	24.6	Very low	27.3	Very low	173 Å²	173	139.7 Å²	139.7	81%	0.808	81%	0.805	S	S	*	*			trans	-63.4	101	165	-81.8	-177.8	-15.7	0	0	107.6	P1071 Q1075	P1071-Q1073 PolarHBondContact O-N 2.98Å; Q1073-Q1075 VanDerWaalsContact C-N 3.34Å; Q1073-Q1075 PolarHBondContact O-N 2.86Å
1074	C	26.6	Very low	27.5	Very low	108 Å²	108	140.1 Å²	140.1	73%	0.73	81%	0.805	S	S	*	*			trans	-59.5	97.2	164.9	-70.3	0	0	0	0	108.8	I1072 S1076	I1072-C1074 PolarHBondContact O-N 3Å; C1074-S1076 PolarHBondContact O-N 3.22Å
1075	Q	25.7	Very low	27.7	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	81%	0.809	S	S	*	*			trans	-66.6	86.2	160.7	-76.7	-174.9	-12.2	0	0	108.1	Q1073	Q1073-Q1075 VanDerWaalsContact C-N 3.34Å; Q1073-Q1075 PolarHBondContact O-N 2.86Å
1076	S	28.7	Very low	27.8	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	80%	0.803	S	S	*	*			trans	-100.7	87.9	162.4	53.2	0	0	0	0	107.5	C1074	C1074-S1076 PolarHBondContact O-N 3.22Å
1077	S	29.5	Very low	28.1	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	80%	0.8	S	S	*	*			trans	-151.1	76.2	164.6	57.6	0	0	0	0	108.4
1078	V	33.4	Very low	28.2	Very low	148 Å²	148	151.7 Å²	151.7	90%	0.897	82%	0.822	S	S	*	*			trans	-78.7	109.9	151.9	175.4	0	0	0	0	105.2	S1080	V1078-S1080 PolarHBondContact O-N 2.88Å
1079	E	30.2	Very low	28.4	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	81%	0.814	S	S	*	*			trans	-56.7	130.1	178.8	-68.7	177	136.9	0	0	111.2	K1081	E1079-K1081 PolarHBondContact O-N 3.29Å
1080	S	26.1	Very low	28.3	Very low	120 Å²	120	147.5 Å²	147.5	84%	0.839	82%	0.821	S	S	*	*			trans	-75.6	107.4	158.3	57.7	0	0	0	0	109.3	V1078	V1078-S1080 PolarHBondContact O-N 2.88Å
1081	K	33.3	Very low	28.5	Very low	282 Å²	282	151.4 Å²	151.4	100%	1.226	83%	0.834	S	S	*	*			trans	-139.9	0	141.3	-97.5	-170	-179.7	176	0	109.4	E1079	E1079-K1081 PolarHBondContact O-N 3.29Å

Retrieved 1,081 of 1,081 residues in 331.8 ms (Link to these results)

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