A0A087YDE1_POEFO Loading...

Rho guanine nucleotide exchange factor (GEF) 7a

AlphaFold DB , UniProt , Accession A0A087YDE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 802 aa.

						>A0A087YDE1_POEFO|A0A087YDE1
MNSAEQTVTWLITLGVLESPKKTISDPEAFLQSSLKDGVVLCKLLERLSPGSTEKIYPEPKNDGECLSNIKEFLKGCTSFRVEPFEASDLLLGLNFSKVLSSLVALNKVTADIGVGSDSVCARHSSAHRIKSFESLSSQASLGRSSKLLQNQFRSLDMSENSGQQLLVKARFNFQQTNEDELTFTKGDIISVTRQEEGGWWEGILNGKTGWFPSNYVREVKGSDKQVSPKSGTLKSPPKGFDTSVISKTYYNLVLQNILETETEYSKDLQSLLTNYLRPLQNIDKLSSSDVALILGNLEEISTFQQMLVQSLEESTKLPESQQRVGSFFLNLMPQMKALYVGYCSNHPSAVNVLTQHGETLRDFMEGHGAVSPGILTLTTGLSKPFMRLDKYPTLLKELERHMEENHADRPDILKCMGSFKNLSAQCQEVRKRKELELQILTETIRLWEGDDIKTLGSVIYMSQVLVQSPMSEEKNERYLMLFPHVLLMLSASPRMSGFIFQGKLPLTGMIVTKLEDCEAHKNAFELNGTMFDRLQVVCANQQDLQDWVEHLTRQIKHSAATAPSHKPLAVPCHTLPSHPLTPSRHAESRAMTVAPTYHTLPHPSSHGTTHSTMTWGPLEPPNTPKPWSLSCLRPAPPLRPSAALCYKEDLSKSPKSVKKLLPKRKPERKQSEEEFALRKSTAALEEDAQILKVIEAYCTSAKTRQTLNSRSRPETGLHVIIPGEDKVFLDDPNRNGQSALEEKSLVDVVYALRDEVQELKQDNKKMKRSLEEEQRARRDLEKVVRRVLKSINDPAWDETNL
					

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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	58.6	Low	79.1	Confident	166 Å²	166	50.8 Å²	50.8	82%	0.818	26%	0.263	S	S	*	.				0	126	0	-70.9	174.2	162.6	0	0	109	E5 Q6	M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 HydrophobicContact CB-CB 4.4Å; M1-Q6 HydrophobicContact CB-CG 3.79Å; M1-Q6 HydrophobicContact SD-CG 4.36Å
2	N	78.8	Confident	79.5	Confident	72 Å²	72	50.8 Å²	50.8	39%	0.385	26%	0.263	S	S	.	.			trans	-68.1	158.6	167.5	-169.2	14.5	0	0	0	109.9	A4 E5 Q6 E28	N2-A4 PolarHBondContact O-N 3.48Å; N2-E5 HydrophobicContact CB-CG 4.14Å; N2-E5 PolarHBondContact N-OE2 3.39Å; N2-E5 PolarHBondContact O-N 3.35Å; N2-E5 VanDerWaalsContact O-N 3.09Å; N2-Q6 WeakPolarHBondContact O-CG 3.16Å; N2-Q6 PolarHBondContact O-N 3.01Å; N2-E28 PolarHBondContact ND2-OE1 2.66Å
3	S	76.8	Confident	79.5	Confident	43 Å²	43	54.8 Å²	54.8	30%	0.301	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-33.5	177.1	46.6	0	0	0	0	112.3	T7 L100	S3-T7 WeakPolarHBondContact O-CB 3.33Å; S3-T7 PolarHBondContact O-N 3.26Å; S3-T7 PolarHBondContact O-OG1 2.94Å; S3-L100 WeakPolarHBondContact OG-CD2 3.49Å
4	A	79.1	Confident	79.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-48	171.8	0	0	0	0	0	112.1	N2 Q6 T7 V8 P27 E28 L31 L100	N2-A4 PolarHBondContact O-N 3.48Å; A4-Q6 PolarHBondContact O-N 2.86Å; A4-T7 PolarHBondContact O-N 2.94Å; A4-T7 VanDerWaalsContact O-N 3.15Å; A4-V8 WeakPolarHBondContact O-CG2 3.47Å; A4-V8 PolarHBondContact O-N 2.83Å; A4-P27 HydrophobicContact CB-CB 3.88Å; A4-P27 HydrophobicContact CB-CG 3.92Å; A4-E28 HydrophobicContact CB-CG 3.55Å; A4-L31 HydrophobicContact CB-CD1 4.13Å; A4-L31 WeakPolarHBondContact O-CD1 3.15Å; A4-L100 HydrophobicContact CB-CD2 4.13Å
5	E	81.7	Confident	79.2	Confident	85 Å²	85	53 Å²	53	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-43.8	178.2	-61.8	171.9	156.5	0	0	111.5	M1 N2 T7 V8 T9 P27	M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 HydrophobicContact CB-CB 4.4Å; N2-E5 HydrophobicContact CB-CG 4.14Å; N2-E5 PolarHBondContact N-OE2 3.39Å; N2-E5 PolarHBondContact O-N 3.35Å; N2-E5 VanDerWaalsContact O-N 3.09Å; E5-T7 VanDerWaalsContact C-N 3.26Å; E5-T7 PolarHBondContact O-N 3.48Å; E5-V8 PolarHBondContact O-N 3.28Å; E5-T9 PolarHBondContact O-N 2.72Å; E5-T9 PolarHBondContact O-OG1 3.43Å; E5-P27 HydrophobicContact CG-CB 4.18Å; E5-P27 HydrophobicContact CG-CG 3.98Å
6	Q	80.6	Confident	79.4	Confident	93 Å²	93	50.7 Å²	50.7	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-39	174.9	-68.1	178.8	-12.6	0	0	112	M1 N2 A4 W10	M1-Q6 HydrophobicContact CB-CG 3.79Å; M1-Q6 HydrophobicContact SD-CG 4.36Å; N2-Q6 WeakPolarHBondContact O-CG 3.16Å; N2-Q6 PolarHBondContact O-N 3.01Å; A4-Q6 PolarHBondContact O-N 2.86Å; Q6-W10 VanDerWaalsContact O-CB 3.29Å; Q6-W10 WeakPolarHBondContact O-CB 3.46Å; Q6-W10 PolarHBondContact O-N 2.98Å
7	T	82.3	Confident	79.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-70.9	-41.5	178.5	-56.2	0	0	0	0	111.3	S3 A4 E5 W10 L11 L31 L100 L103	S3-T7 WeakPolarHBondContact O-CB 3.33Å; S3-T7 PolarHBondContact O-N 3.26Å; S3-T7 PolarHBondContact O-OG1 2.94Å; A4-T7 PolarHBondContact O-N 2.94Å; A4-T7 VanDerWaalsContact O-N 3.15Å; E5-T7 VanDerWaalsContact C-N 3.26Å; E5-T7 PolarHBondContact O-N 3.48Å; T7-W10 PolarHBondContact O-N 2.69Å; T7-L11 HydrophobicContact CG2-CD1 4.16Å; T7-L11 HydrophobicContact CG2-CG 4.48Å; T7-L11 VanDerWaalsContact O-CG 3.24Å; T7-L11 WeakPolarHBondContact O-CG 3.03Å; T7-L11 PolarHBondContact O-N 3.28Å; T7-L31 HydrophobicContact CG2-CD1 4.11Å; T7-L31 HydrophobicContact CG2-CD2 4.44Å; T7-L100 HydrophobicContact CG2-CD1 4.26Å; T7-L100 WeakPolarHBondContact OG1-CD1 3.42Å; T7-L103 HydrophobicContact CG2-CB 4.05Å; T7-L103 HydrophobicContact CG2-CD1 4.03Å
8	V	82.6	Confident	79.2	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-51.2	171.9	171.9	0	0	0	0	110.7	A4 E5 W10 L11 I12 I24 F30 L31	A4-V8 WeakPolarHBondContact O-CG2 3.47Å; A4-V8 PolarHBondContact O-N 2.83Å; E5-V8 PolarHBondContact O-N 3.28Å; V8-W10 VanDerWaalsContact C-N 3.34Å; V8-W10 PolarHBondContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 3.39Å; V8-I12 HydrophobicContact CG1-CD1 3.67Å; V8-I12 HydrophobicContact CG1-CG1 4.48Å; V8-I12 WeakPolarHBondContact O-CG1 3.46Å; V8-I12 PolarHBondContact O-N 2.76Å; V8-I24 HydrophobicContact CG1-CD1 3.83Å; V8-I24 HydrophobicContact CG2-CD1 4.34Å; V8-F30 HydrophobicContact CG1-CE1 4.4Å; V8-F30 HydrophobicContact CG2-CD1 4.13Å; V8-F30 HydrophobicContact CG2-CE1 4.48Å; V8-L31 HydrophobicContact CG2-CD1 3.95Å; V8-L31 HydrophobicContact CG2-CD2 3.58Å; V8-L31 HydrophobicContact CG2-CG 3.57Å
9	T	82.4	Confident	78.8	Confident	69 Å²	69	57.5 Å²	57.5	42%	0.423	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-46.7	179.5	-55.3	0	0	0	0	111.1	E5 L11 I12 T13	E5-T9 PolarHBondContact O-N 2.72Å; E5-T9 PolarHBondContact O-OG1 3.43Å; T9-L11 PolarHBondContact O-N 3.03Å; T9-I12 PolarHBondContact O-N 2.98Å; T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 2.84Å
10	W	84.4	Confident	78.3	Confident	22 Å²	22	56.7 Å²	56.7	8%	0.083	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-44.6	178.4	178.4	60.3	0	0	0	113.2	Q6 T7 V8 I12 T13 L14 L44 L48 L103 L106 N107	Q6-W10 VanDerWaalsContact O-CB 3.29Å; Q6-W10 WeakPolarHBondContact O-CB 3.46Å; Q6-W10 PolarHBondContact O-N 2.98Å; T7-W10 PolarHBondContact O-N 2.69Å; V8-W10 VanDerWaalsContact C-N 3.34Å; V8-W10 PolarHBondContact O-N 3.16Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.5Å; W10-T13 PolarHBondContact O-N 3.29Å; W10-L14 HydrophobicContact CD2-CD1 4.2Å; W10-L14 HydrophobicContact CG-CD1 4.48Å; W10-L14 HydrophobicContact CZ2-CD1 3.92Å; W10-L14 WeakPolarHBondContact O-CG 3.27Å; W10-L14 PolarHBondContact O-N 3.47Å; W10-L44 HydrophobicContact CH2-CD1 3.95Å; W10-L44 HydrophobicContact CH2-CD2 3.88Å; W10-L44 HydrophobicContact CH2-CG 4.4Å; W10-L44 HydrophobicContact CZ2-CD1 4.18Å; W10-L44 HydrophobicContact CZ3-CD1 4.28Å; W10-L44 HydrophobicContact CZ3-CD2 3.86Å; W10-L48 HydrophobicContact CH2-CD1 4.28Å; W10-L48 HydrophobicContact CZ2-CD1 4.23Å; W10-L103 HydrophobicContact CZ3-CD2 4.46Å; W10-L106 HydrophobicContact CH2-CB 4.36Å; W10-L106 HydrophobicContact CH2-CD2 4.16Å; W10-L106 HydrophobicContact CH2-CG 4.11Å; W10-N107 HydrophobicContact CD2-CB 3.81Å; W10-N107 HydrophobicContact CE3-CB 3.99Å; W10-N107 HydrophobicContact CG-CB 4.43Å; W10-N107 HydrophobicContact CH2-CB 3.93Å; W10-N107 HydrophobicContact CZ2-CB 3.76Å; W10-N107 HydrophobicContact CZ3-CB 4.04Å; W10-N107 PolarHBondContact NE1-OD1 3.11Å
11	L	82.7	Confident	77.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-33.9	177.6	-68.4	172.5	0	0	0	112.9	T7 V8 T9 G15 V16 L17 L31 L35 L44	T7-L11 HydrophobicContact CG2-CD1 4.16Å; T7-L11 HydrophobicContact CG2-CG 4.48Å; T7-L11 VanDerWaalsContact O-CG 3.24Å; T7-L11 WeakPolarHBondContact O-CG 3.03Å; T7-L11 PolarHBondContact O-N 3.28Å; V8-L11 PolarHBondContact O-N 3.39Å; T9-L11 PolarHBondContact O-N 3.03Å; L11-G15 PolarHBondContact O-N 3.37Å; L11-V16 PolarHBondContact O-N 3.26Å; L11-L17 HydrophobicContact CB-CB 3.78Å; L11-L17 HydrophobicContact CB-CD2 4.07Å; L11-L17 HydrophobicContact CD1-CD2 4.18Å; L11-L17 PolarHBondContact O-N 2.94Å; L11-L31 HydrophobicContact CD1-CD2 3.76Å; L11-L35 HydrophobicContact CD1-CD2 4.14Å; L11-L44 HydrophobicContact CD2-CD1 4.02Å; L11-L44 HydrophobicContact CD2-CD2 3.85Å; L11-L44 HydrophobicContact CD2-CG 4.35Å
12	I	83.8	Confident	77.2	Confident	51 Å²	51	64.8 Å²	64.8	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-71.7	-44.8	174.1	-66.5	167.8	0	0	0	110.4	V8 T9 W10 L14 G15 L17	V8-I12 HydrophobicContact CG1-CD1 3.67Å; V8-I12 HydrophobicContact CG1-CG1 4.48Å; V8-I12 WeakPolarHBondContact O-CG1 3.46Å; V8-I12 PolarHBondContact O-N 2.76Å; T9-I12 PolarHBondContact O-N 2.98Å; W10-I12 VanDerWaalsContact C-N 3.33Å; W10-I12 PolarHBondContact O-N 3.5Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-G15 WeakPolarHBondContact O-CA 3.39Å; I12-G15 PolarHBondContact O-N 2.94Å; I12-L17 HydrophobicContact CG1-CB 4.31Å; I12-L17 HydrophobicContact CG1-CD2 4.45Å; I12-L17 HydrophobicContact CG1-CG 4.5Å
13	T	80.4	Confident	76.3	Confident	103 Å²	103	67.9 Å²	67.9	63%	0.632	37%	0.367	S	S	*	.	H	α-helix	trans	-60.4	-36.7	177.2	-60.6	0	0	0	0	112.2	T9 W10 G15	T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 2.84Å; W10-T13 PolarHBondContact O-N 3.29Å; T13-G15 PolarHBondContact O-N 3.43Å
14	L	76.4	Confident	76.1	Confident	33 Å²	33	68.5 Å²	68.5	17%	0.173	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.3	173.4	-68.3	177.3	0	0	0	113.5	W10 I12 V16 L44 R47 L48	W10-L14 HydrophobicContact CD2-CD1 4.2Å; W10-L14 HydrophobicContact CG-CD1 4.48Å; W10-L14 HydrophobicContact CZ2-CD1 3.92Å; W10-L14 WeakPolarHBondContact O-CG 3.27Å; W10-L14 PolarHBondContact O-N 3.47Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 HydrophobicContact CB-CG2 3.74Å; L14-V16 PolarHBondContact O-N 3.08Å; L14-L44 HydrophobicContact CD1-CD1 3.42Å; L14-L44 VanDerWaalsContact CD1-CD1 3.42Å; L14-R47 PolarHBondContact O-NH1 3.3Å; L14-L48 HydrophobicContact CD1-CD2 4.29Å
15	G	78.1	Confident	75.5	Confident	49 Å²	49	74.7 Å²	74.7	51%	0.505	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	33	179.9	0	0	0	0	0	113.3	L11 I12 T13	L11-G15 PolarHBondContact O-N 3.37Å; I12-G15 WeakPolarHBondContact O-CA 3.39Å; I12-G15 PolarHBondContact O-N 2.94Å; T13-G15 PolarHBondContact O-N 3.43Å
16	V	82.8	Confident	75.3	Confident	16 Å²	16	74.7 Å²	74.7	10%	0.097	41%	0.412	C	S	.	.	S	Bend	trans	-104	-28.9	-177.7	-168.4	0	0	0	0	111.3	L11 L14 V40 K43 L44 R47	L11-V16 PolarHBondContact O-N 3.26Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 HydrophobicContact CB-CG2 3.74Å; L14-V16 PolarHBondContact O-N 3.08Å; V16-V40 HydrophobicContact CG1-CG1 3.91Å; V16-V40 WeakPolarHBondContact CG1-O 3.37Å; V16-K43 HydrophobicContact CG1-CB 3.63Å; V16-L44 HydrophobicContact CG1-CB 4.14Å; V16-L44 HydrophobicContact CG2-CD1 4.46Å; V16-R47 HydrophobicContact CG2-CG 4.28Å
17	L	80.8	Confident	75.1	Confident	20 Å²	20	71.2 Å²	71.2	11%	0.105	40%	0.398	C	S	.	.	S	Bend	trans	-118.2	135.9	177.5	-172.9	66.6	0	0	0	109.7	L11 I12 F30 V40	L11-L17 HydrophobicContact CB-CB 3.78Å; L11-L17 HydrophobicContact CB-CD2 4.07Å; L11-L17 HydrophobicContact CD1-CD2 4.18Å; L11-L17 PolarHBondContact O-N 2.94Å; I12-L17 HydrophobicContact CG1-CB 4.31Å; I12-L17 HydrophobicContact CG1-CD2 4.45Å; I12-L17 HydrophobicContact CG1-CG 4.5Å; L17-F30 HydrophobicContact CD2-CE1 3.96Å; L17-V40 HydrophobicContact CD1-CG1 4.41Å; L17-V40 HydrophobicContact CD1-CG2 4.49Å
18	E	73.1	Confident	75	Confident	175 Å²	175	74.9 Å²	74.9	82%	0.818	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-71.7	141.8	175.6	-67.1	-169.9	172.5	0	0	111.3	P20	E18-P20 WeakPolarHBondContact O-CD 3.46Å
19	S	72.6	Confident	74.9	Confident	86 Å²	86	76.6 Å²	76.6	60%	0.601	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-67.2	122.9	177.1	-173.2	0	0	0	0	110.9	K21	S19-K21 PolarHBondContact O-N 3.37Å
20	P	69.1	Low	74.9	Confident	41 Å²	41	75.5 Å²	75.5	27%	0.266	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-70.5	129.5	-177.9	23.2	-27.1	0	0	0	111.4	E18 K22 I24 F30	E18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-K22 PolarHBondContact O-N 2.94Å; P20-I24 HydrophobicContact CB-CG1 4.27Å; P20-I24 HydrophobicContact CG-CD1 3.67Å; P20-I24 HydrophobicContact CG-CG1 3.62Å; P20-F30 HydrophobicContact CB-CE2 4.37Å; P20-F30 HydrophobicContact CB-CZ 4.1Å; P20-F30 HydrophobicContact CG-CE1 4.25Å; P20-F30 HydrophobicContact CG-CZ 4.07Å
21	K	52	Low	74.8	Confident	213 Å²	213	74.5 Å²	74.5	93%	0.926	42%	0.415	S	S	*	.	S	Bend	trans	-68.3	7.9	-176	-59.2	-179.9	-178.6	176	0	115.2	S19	S19-K21 PolarHBondContact O-N 3.37Å
22	K	60.9	Low	74.8	Confident	180 Å²	180	77.7 Å²	77.7	78%	0.783	43%	0.43	S	S	*	.	S	Bend	trans	-151.3	150.5	-179.5	-67.6	-172.1	178.6	-177.6	0	109.3	P20 I24	P20-K22 PolarHBondContact O-N 2.94Å; K22-I24 PolarHBondContact O-N 2.9Å
23	T	61	Low	74.6	Confident	137 Å²	137	79 Å²	79	84%	0.84	44%	0.444	S	S	*	.			trans	-54.2	123.3	173.6	-20.3	0	0	0	0	110.5	S25	T23-S25 PolarHBondContact O-N 3.01Å
24	I	70.6	Confident	74.7	Confident	56 Å²	56	75.3 Å²	75.3	29%	0.287	42%	0.422	S	S	.	.			trans	-74.4	112.3	-177.1	-47.3	166.2	0	0	0	108.5	V8 P20 K22 D26 F30	V8-I24 HydrophobicContact CG1-CD1 3.83Å; V8-I24 HydrophobicContact CG2-CD1 4.34Å; P20-I24 HydrophobicContact CB-CG1 4.27Å; P20-I24 HydrophobicContact CG-CD1 3.67Å; P20-I24 HydrophobicContact CG-CG1 3.62Å; K22-I24 PolarHBondContact O-N 2.9Å; I24-D26 VanDerWaalsContact C-N 3.32Å; I24-D26 VanDerWaalsContact CG2-O 3.31Å; I24-D26 WeakPolarHBondContact CG2-O 3.44Å; I24-F30 HydrophobicContact CD1-CD1 3.71Å; I24-F30 HydrophobicContact CD1-CE1 3.95Å; I24-F30 HydrophobicContact CD1-CG 4.32Å; I24-F30 HydrophobicContact CG1-CD1 4.42Å; I24-F30 HydrophobicContact CG2-CB 3.58Å; I24-F30 HydrophobicContact CG2-CD1 4.34Å; I24-F30 HydrophobicContact CG2-CG 3.97Å
25	S	67	Low	75	Confident	130 Å²	130	73.7 Å²	73.7	91%	0.909	41%	0.414	S	S	*	.	S	Bend	trans	-74.5	-22.8	-179.2	-44.6	0	0	0	0	113.6	T23	T23-S25 PolarHBondContact O-N 3.01Å
26	D	78.7	Confident	75.2	Confident	85 Å²	85	76.1 Å²	76.1	46%	0.455	41%	0.411	S	S	.	.			trans	-142.7	102	173.6	-179.7	-12.2	0	0	0	109.3	I24 E28 A29 F30	I24-D26 VanDerWaalsContact C-N 3.32Å; I24-D26 VanDerWaalsContact CG2-O 3.31Å; I24-D26 WeakPolarHBondContact CG2-O 3.44Å; D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 2.78Å; D26-E28 PolarHBondContact OD1-N 3.34Å; D26-A29 HydrophobicContact CB-CB 4.13Å; D26-A29 PolarHBondContact OD1-N 3.1Å; D26-A29 WeakPolarHBondContact OD2-CB 3.3Å; D26-F30 WeakPolarHBondContact O-CB 3.48Å; D26-F30 PolarHBondContact O-N 3.39Å
27	P	76.3	Confident	75.1	Confident	20 Å²	20	78 Å²	78	13%	0.13	42%	0.42	C	S	.	.	H	α-helix	trans	-71.8	-21.2	-178	29.8	-35	0	0	0	113.3	A4 E5 L31	A4-P27 HydrophobicContact CB-CB 3.88Å; A4-P27 HydrophobicContact CB-CG 3.92Å; E5-P27 HydrophobicContact CG-CB 4.18Å; E5-P27 HydrophobicContact CG-CG 3.98Å; P27-L31 WeakPolarHBondContact O-CB 3.4Å; P27-L31 WeakPolarHBondContact O-CG 3.38Å; P27-L31 PolarHBondContact O-N 3.38Å; P27-L31 VanDerWaalsContact O-N 3.08Å
28	E	80	Confident	75.1	Confident	79 Å²	79	77 Å²	77	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-77.9	-47.2	178.7	-70.1	-179.4	-154.3	0	0	110.3	N2 A4 D26 F30 L31 Q32 F96	N2-E28 PolarHBondContact ND2-OE1 2.66Å; A4-E28 HydrophobicContact CB-CG 3.55Å; D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 2.78Å; D26-E28 PolarHBondContact OD1-N 3.34Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.99Å; E28-L31 PolarHBondContact O-N 3.36Å; E28-Q32 VanDerWaalsContact O-CB 3.26Å; E28-Q32 WeakPolarHBondContact O-CB 3.39Å; E28-Q32 PolarHBondContact O-N 2.79Å; E28-F96 HydrophobicContact CB-CD1 4.27Å; E28-F96 HydrophobicContact CB-CE1 4.14Å; E28-F96 HydrophobicContact CG-CE1 4.31Å
29	A	79.1	Confident	75.7	Confident	43 Å²	43	69 Å²	69	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-34.8	173.5	0	0	0	0	0	112.9	D26 S33	D26-A29 HydrophobicContact CB-CB 4.13Å; D26-A29 PolarHBondContact OD1-N 3.1Å; D26-A29 WeakPolarHBondContact OD2-CB 3.3Å; A29-S33 WeakPolarHBondContact O-CB 3.33Å; A29-S33 PolarHBondContact O-N 2.94Å; A29-S33 PolarHBondContact O-OG 3.1Å
30	F	83.1	Confident	76.3	Confident	47 Å²	47	65.5 Å²	65.5	21%	0.206	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-46.2	175.2	177.5	-107.9	0	0	0	112.6	V8 L17 P20 I24 D26 E28 S33 S34	V8-F30 HydrophobicContact CG1-CE1 4.4Å; V8-F30 HydrophobicContact CG2-CD1 4.13Å; V8-F30 HydrophobicContact CG2-CE1 4.48Å; L17-F30 HydrophobicContact CD2-CE1 3.96Å; P20-F30 HydrophobicContact CB-CE2 4.37Å; P20-F30 HydrophobicContact CB-CZ 4.1Å; P20-F30 HydrophobicContact CG-CE1 4.25Å; P20-F30 HydrophobicContact CG-CZ 4.07Å; I24-F30 HydrophobicContact CD1-CD1 3.71Å; I24-F30 HydrophobicContact CD1-CE1 3.95Å; I24-F30 HydrophobicContact CD1-CG 4.32Å; I24-F30 HydrophobicContact CG1-CD1 4.42Å; I24-F30 HydrophobicContact CG2-CB 3.58Å; I24-F30 HydrophobicContact CG2-CD1 4.34Å; I24-F30 HydrophobicContact CG2-CG 3.97Å; D26-F30 WeakPolarHBondContact O-CB 3.48Å; D26-F30 PolarHBondContact O-N 3.39Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.99Å; F30-S33 PolarHBondContact O-OG 3.13Å; F30-S34 VanDerWaalsContact O-CB 3.26Å; F30-S34 WeakPolarHBondContact O-CB 3.37Å; F30-S34 PolarHBondContact O-N 3.41Å; F30-S34 PolarHBondContact O-OG 3.27Å
31	L	82.6	Confident	77.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-43.6	174.1	-75.6	173.5	0	0	0	111.5	A4 T7 V8 L11 P27 E28 S33 S34 L35 F96 L100	A4-L31 HydrophobicContact CB-CD1 4.13Å; A4-L31 WeakPolarHBondContact O-CD1 3.15Å; T7-L31 HydrophobicContact CG2-CD1 4.11Å; T7-L31 HydrophobicContact CG2-CD2 4.44Å; V8-L31 HydrophobicContact CG2-CD1 3.95Å; V8-L31 HydrophobicContact CG2-CD2 3.58Å; V8-L31 HydrophobicContact CG2-CG 3.57Å; L11-L31 HydrophobicContact CD1-CD2 3.76Å; P27-L31 WeakPolarHBondContact O-CB 3.4Å; P27-L31 WeakPolarHBondContact O-CG 3.38Å; P27-L31 PolarHBondContact O-N 3.38Å; P27-L31 VanDerWaalsContact O-N 3.08Å; E28-L31 PolarHBondContact O-N 3.36Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 3.49Å; L31-S34 PolarHBondContact O-N 3.15Å; L31-L35 HydrophobicContact CB-CD1 4.28Å; L31-L35 HydrophobicContact CD2-CD1 4.31Å; L31-L35 VanDerWaalsContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.01Å; L31-F96 HydrophobicContact CB-CE1 4.3Å; L31-F96 HydrophobicContact CB-CE2 4.43Å; L31-F96 HydrophobicContact CB-CZ 3.58Å; L31-F96 HydrophobicContact CD1-CZ 4.37Å; L31-L100 HydrophobicContact CD1-CD1 4.21Å
32	Q	81.6	Confident	78.6	Confident	67 Å²	67	53.4 Å²	53.4	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-39.3	-179.7	-174.3	-178.5	-0.9	0	0	112	E28 K36 F96	E28-Q32 VanDerWaalsContact O-CB 3.26Å; E28-Q32 WeakPolarHBondContact O-CB 3.39Å; E28-Q32 PolarHBondContact O-N 2.79Å; Q32-K36 WeakPolarHBondContact O-CB 3.2Å; Q32-K36 PolarHBondContact O-N 3.34Å; Q32-F96 HydrophobicContact CB-CD2 3.91Å; Q32-F96 HydrophobicContact CB-CE2 3.93Å; Q32-F96 HydrophobicContact CB-CG 4.35Å; Q32-F96 HydrophobicContact CB-CZ 4.39Å; Q32-F96 HydrophobicContact CG-CD2 4.03Å; Q32-F96 HydrophobicContact CG-CE2 4.46Å
33	S	80.9	Confident	79.6	Confident	78 Å²	78	49.6 Å²	49.6	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-73.3	-40.9	174.7	49.4	0	0	0	0	112.8	A29 F30 L31	A29-S33 WeakPolarHBondContact O-CB 3.33Å; A29-S33 PolarHBondContact O-N 2.94Å; A29-S33 PolarHBondContact O-OG 3.1Å; F30-S33 PolarHBondContact O-OG 3.13Å; L31-S33 VanDerWaalsContact C-N 3.29Å; L31-S33 PolarHBondContact O-N 3.49Å
34	S	82.2	Confident	80.7	Confident	26 Å²	26	43.1 Å²	43.1	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-75.2	-21.5	-177.3	-54.4	0	0	0	0	114.5	F30 L31 V40	F30-S34 VanDerWaalsContact O-CB 3.26Å; F30-S34 WeakPolarHBondContact O-CB 3.37Å; F30-S34 PolarHBondContact O-N 3.41Å; F30-S34 PolarHBondContact O-OG 3.27Å; L31-S34 PolarHBondContact O-N 3.15Å; S34-V40 VanDerWaalsContact O-CG2 3.29Å; S34-V40 WeakPolarHBondContact O-CG2 3.46Å
35	L	83.4	Confident	81.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-7.8	179.5	-60.7	177.1	0	0	0	113.1	L11 L31 D37 G38 V40 L41 L90 L103	L11-L35 HydrophobicContact CD1-CD2 4.14Å; L31-L35 HydrophobicContact CB-CD1 4.28Å; L31-L35 HydrophobicContact CD2-CD1 4.31Å; L31-L35 VanDerWaalsContact O-CB 3.27Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.01Å; L35-D37 VanDerWaalsContact C-N 3.28Å; L35-D37 PolarHBondContact O-N 2.79Å; L35-G38 PolarHBondContact O-N 2.98Å; L35-G38 VanDerWaalsContact O-N 3.1Å; L35-V40 HydrophobicContact CD2-CB 3.86Å; L35-V40 HydrophobicContact CD2-CG1 3.59Å; L35-L41 HydrophobicContact CB-CG 4.5Å; L35-L41 HydrophobicContact CD1-CD2 4.43Å; L35-L41 HydrophobicContact CD2-CD2 3.88Å; L35-L41 HydrophobicContact CD2-CG 4.13Å; L35-L90 HydrophobicContact CB-CD1 4.21Å; L35-L90 HydrophobicContact CB-CD2 4.45Å; L35-L103 HydrophobicContact CD1-CD1 3.67Å
36	K	81.7	Confident	81.9	Confident	100 Å²	100	38.7 Å²	38.7	44%	0.435	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.9	-171.6	-165.4	177.8	179.3	-177.3	0	114.1	Q32 G38 L91	Q32-K36 WeakPolarHBondContact O-CB 3.2Å; Q32-K36 PolarHBondContact O-N 3.34Å; K36-G38 VanDerWaalsContact C-N 3.27Å; K36-L91 WeakPolarHBondContact CE-O 3.39Å
37	D	81.2	Confident	81.9	Confident	55 Å²	55	41.6 Å²	41.6	29%	0.294	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.3	179.2	64.8	11.1	0	0	0	113.4	L35 V39 P60 N69	L35-D37 VanDerWaalsContact C-N 3.28Å; L35-D37 PolarHBondContact O-N 2.79Å; D37-V39 HydrophobicContact CB-CG2 4.04Å; D37-V39 PolarHBondContact O-N 3.32Å; D37-V39 VanDerWaalsContact O-N 3.15Å; D37-V39 PolarHBondContact OD1-N 3.4Å; D37-P60 HydrophobicContact CB-CG 3.83Å; D37-N69 PolarHBondContact O-ND2 3.04Å
38	G	80.3	Confident	81.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	67.7	-3.9	-172.6	0	0	0	0	0	115	L35 K36 L41 C42	L35-G38 PolarHBondContact O-N 2.98Å; L35-G38 VanDerWaalsContact O-N 3.1Å; K36-G38 VanDerWaalsContact C-N 3.27Å; G38-L41 PolarHBondContact O-N 3.48Å; G38-C42 PolarHBondContact O-N 2.82Å; G38-C42 PolarHBondContact O-SG 2.82Å; G38-C42 VanDerWaalsContact O-SG 3.32Å
39	V	85.4	Confident	81.6	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-44.8	-174.3	-178.7	0	0	0	0	110.5	D37 L41 C42 K43 Y57 P60	D37-V39 HydrophobicContact CB-CG2 4.04Å; D37-V39 PolarHBondContact O-N 3.32Å; D37-V39 VanDerWaalsContact O-N 3.15Å; D37-V39 PolarHBondContact OD1-N 3.4Å; V39-L41 PolarHBondContact O-N 3.01Å; V39-C42 PolarHBondContact O-N 3.36Å; V39-K43 HydrophobicContact CG1-CD 4.22Å; V39-K43 WeakPolarHBondContact O-CG 3.3Å; V39-K43 PolarHBondContact O-N 2.98Å; V39-Y57 WeakPolarHBondContact CG2-O 3.45Å; V39-P60 HydrophobicContact CG2-CG 4.17Å
40	V	86.1	Confident	81.2	Confident	14 Å²	14	42.9 Å²	42.9	9%	0.085	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-37.2	174.1	179.9	0	0	0	0	110.5	V16 L17 S34 L35 L44	V16-V40 HydrophobicContact CG1-CG1 3.91Å; V16-V40 WeakPolarHBondContact CG1-O 3.37Å; L17-V40 HydrophobicContact CD1-CG1 4.41Å; L17-V40 HydrophobicContact CD1-CG2 4.49Å; S34-V40 VanDerWaalsContact O-CG2 3.29Å; S34-V40 WeakPolarHBondContact O-CG2 3.46Å; L35-V40 HydrophobicContact CD2-CB 3.86Å; L35-V40 HydrophobicContact CD2-CG1 3.59Å; V40-L44 WeakPolarHBondContact O-CB 3.24Å; V40-L44 PolarHBondContact O-N 3.05Å
41	L	84.8	Confident	80.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.2	-44.3	177.1	-67.2	-179.9	0	0	0	112.7	L35 G38 V39 L44 L45 F73 F85 L90 L103	L35-L41 HydrophobicContact CB-CG 4.5Å; L35-L41 HydrophobicContact CD1-CD2 4.43Å; L35-L41 HydrophobicContact CD2-CD2 3.88Å; L35-L41 HydrophobicContact CD2-CG 4.13Å; G38-L41 PolarHBondContact O-N 3.48Å; V39-L41 PolarHBondContact O-N 3.01Å; L41-L44 WeakPolarHBondContact O-CB 3.42Å; L41-L44 PolarHBondContact O-N 3.24Å; L41-L45 PolarHBondContact O-N 3.43Å; L41-F73 HydrophobicContact CB-CB 3.98Å; L41-F73 HydrophobicContact CB-CD1 4.12Å; L41-F73 HydrophobicContact CB-CD2 3.7Å; L41-F73 HydrophobicContact CB-CE2 4.16Å; L41-F73 HydrophobicContact CB-CG 3.65Å; L41-F73 HydrophobicContact CD1-CD1 3.98Å; L41-F73 HydrophobicContact CD1-CE1 4.28Å; L41-F73 HydrophobicContact CD1-CG 4.33Å; L41-F73 HydrophobicContact CD2-CD1 4.45Å; L41-F73 HydrophobicContact CD2-CE1 4.11Å; L41-F73 HydrophobicContact CD2-CE2 4.19Å; L41-F73 HydrophobicContact CD2-CZ 3.95Å; L41-F73 HydrophobicContact CG-CD1 4.43Å; L41-F73 HydrophobicContact CG-CG 4.44Å; L41-F73 WeakPolarHBondContact O-CD2 3.21Å; L41-F85 HydrophobicContact CD1-CZ 4.1Å; L41-L90 HydrophobicContact CD1-CD2 3.46Å; L41-L90 VanDerWaalsContact CD1-CD2 3.46Å; L41-L103 HydrophobicContact CD2-CD1 4.49Å; L41-L103 HydrophobicContact CD2-CD2 3.88Å
42	C	83.1	Confident	79.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-43.7	175.3	-66.4	0	0	0	0	112.1	G38 V39 L44 L45 E46 T53 I56 N69	G38-C42 PolarHBondContact O-N 2.82Å; G38-C42 PolarHBondContact O-SG 2.82Å; G38-C42 VanDerWaalsContact O-SG 3.32Å; V39-C42 PolarHBondContact O-N 3.36Å; C42-L44 VanDerWaalsContact C-N 3.32Å; C42-L44 PolarHBondContact O-N 3.44Å; C42-L45 PolarHBondContact O-N 3.3Å; C42-E46 PolarHBondContact O-N 2.9Å; C42-T53 HydrophobicContact CB-CG2 4.47Å; C42-I56 HydrophobicContact CB-CB 4.46Å; C42-I56 HydrophobicContact CB-CD1 3.66Å; C42-I56 HydrophobicContact CB-CG1 3.76Å; C42-I56 HydrophobicContact CB-CG2 3.89Å; C42-N69 PolarHBondContact SG-O 3.13Å
43	K	82.8	Confident	78.8	Confident	100 Å²	100	43 Å²	43	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-36.6	175.5	-71.6	172.8	177.8	174.5	0	112.4	V16 V39 E46 R47	V16-K43 HydrophobicContact CG1-CB 3.63Å; V39-K43 HydrophobicContact CG1-CD 4.22Å; V39-K43 WeakPolarHBondContact O-CG 3.3Å; V39-K43 PolarHBondContact O-N 2.98Å; K43-E46 PolarHBondContact O-N 3.4Å; K43-R47 WeakPolarHBondContact O-CG 3.31Å; K43-R47 PolarHBondContact O-N 3.4Å; K43-R47 VanDerWaalsContact O-N 3.12Å
44	L	83.8	Confident	77.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-49.7	172.9	173.6	65.6	0	0	0	110.7	W10 L11 L14 V16 V40 L41 C42 E46 R47 L48 F73 L103 L106	W10-L44 HydrophobicContact CH2-CD1 3.95Å; W10-L44 HydrophobicContact CH2-CD2 3.88Å; W10-L44 HydrophobicContact CH2-CG 4.4Å; W10-L44 HydrophobicContact CZ2-CD1 4.18Å; W10-L44 HydrophobicContact CZ3-CD1 4.28Å; W10-L44 HydrophobicContact CZ3-CD2 3.86Å; L11-L44 HydrophobicContact CD2-CD1 4.02Å; L11-L44 HydrophobicContact CD2-CD2 3.85Å; L11-L44 HydrophobicContact CD2-CG 4.35Å; L14-L44 HydrophobicContact CD1-CD1 3.42Å; L14-L44 VanDerWaalsContact CD1-CD1 3.42Å; V16-L44 HydrophobicContact CG1-CB 4.14Å; V16-L44 HydrophobicContact CG2-CD1 4.46Å; V40-L44 WeakPolarHBondContact O-CB 3.24Å; V40-L44 PolarHBondContact O-N 3.05Å; L41-L44 WeakPolarHBondContact O-CB 3.42Å; L41-L44 PolarHBondContact O-N 3.24Å; C42-L44 VanDerWaalsContact C-N 3.32Å; C42-L44 PolarHBondContact O-N 3.44Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-E46 PolarHBondContact O-N 2.82Å; L44-R47 PolarHBondContact O-N 3.38Å; L44-L48 HydrophobicContact CD1-CD1 3.8Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 3.82Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 3.35Å; L44-F73 HydrophobicContact CD2-CE2 4.21Å; L44-L103 HydrophobicContact CD2-CD2 4.02Å; L44-L106 HydrophobicContact CD2-CD2 4.23Å
45	L	81.3	Confident	77.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-40.1	179.5	177.7	63.2	0	0	0	112.3	L41 C42 R47 L48 S49 T53 F73 F80	L41-L45 PolarHBondContact O-N 3.43Å; C42-L45 PolarHBondContact O-N 3.3Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.11Å; L45-S49 CarbonylContact O-C 3.56Å; L45-S49 PolarHBondContact O-N 3.43Å; L45-T53 HydrophobicContact CB-CG2 4.43Å; L45-T53 HydrophobicContact CD2-CG2 3.5Å; L45-T53 HydrophobicContact CG-CG2 4.1Å; L45-F73 HydrophobicContact CB-CD2 3.99Å; L45-F73 HydrophobicContact CB-CE2 4.41Å; L45-F73 HydrophobicContact CD2-CD2 4.48Å; L45-F80 HydrophobicContact CD1-CD2 4.47Å; L45-F80 HydrophobicContact CD1-CE2 3.83Å
46	E	81.1	Confident	76.8	Confident	93 Å²	93	53.9 Å²	53.9	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-35.9	175.3	-175.6	175.4	-143.5	0	0	112.6	C42 K43 L44 S49 P50	C42-E46 PolarHBondContact O-N 2.9Å; K43-E46 PolarHBondContact O-N 3.4Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-E46 PolarHBondContact O-N 2.82Å; E46-S49 CarbonylContact O-C 3.44Å; E46-P50 WeakPolarHBondContact O-CA 3.49Å
47	R	79.9	Confident	76.6	Confident	147 Å²	147	52.4 Å²	52.4	56%	0.555	27%	0.274	S	S	*	.	H	α-helix	trans	-74.5	-30.2	174.5	-67.5	-66.5	-176.9	75.1	4.5	113.6	L14 V16 K43 L44 L45	L14-R47 PolarHBondContact O-NH1 3.3Å; V16-R47 HydrophobicContact CG2-CG 4.28Å; K43-R47 WeakPolarHBondContact O-CG 3.31Å; K43-R47 PolarHBondContact O-N 3.4Å; K43-R47 VanDerWaalsContact O-N 3.12Å; L44-R47 PolarHBondContact O-N 3.38Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 2.87Å
48	L	76.3	Confident	76.1	Confident	19 Å²	19	54.8 Å²	54.8	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-85.2	-29.9	178.9	-66.4	172.4	0	0	0	112.9	W10 L14 L44 L45 F80 L106 T110 V115	W10-L48 HydrophobicContact CH2-CD1 4.28Å; W10-L48 HydrophobicContact CZ2-CD1 4.23Å; L14-L48 HydrophobicContact CD1-CD2 4.29Å; L44-L48 HydrophobicContact CD1-CD1 3.8Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 3.82Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.36Å; L44-L48 PolarHBondContact O-N 3.35Å; L45-L48 PolarHBondContact O-N 3.11Å; L48-F80 HydrophobicContact CB-CZ 3.98Å; L48-L106 HydrophobicContact CD1-CD1 4.48Å; L48-L106 HydrophobicContact CD1-CD2 3.94Å; L48-L106 HydrophobicContact CD1-CG 4.13Å; L48-T110 HydrophobicContact CD1-CG2 3.95Å; L48-T110 HydrophobicContact CD2-CG2 3.66Å; L48-T110 HydrophobicContact CG-CG2 4.24Å; L48-V115 HydrophobicContact CD2-CG1 4.25Å
49	S	72.9	Confident	75.8	Confident	37 Å²	37	61.7 Å²	61.7	26%	0.259	33%	0.325	S	S	.	.	S	Bend	trans	-152	94.7	176.3	-179.2	0	0	0	0	110.4	L45 E46 G51 S52	L45-S49 CarbonylContact O-C 3.56Å; L45-S49 PolarHBondContact O-N 3.43Å; E46-S49 CarbonylContact O-C 3.44Å; S49-G51 PolarHBondContact O-N 2.87Å; S49-S52 WeakPolarHBondContact CB-OG 3.29Å; S49-S52 WeakPolarHBondContact O-CB 3.45Å; S49-S52 PolarHBondContact O-N 2.72Å; S49-S52 PolarHBondContact O-OG 3.36Å; S49-S52 PolarHBondContact OG-OG 2.88Å
50	P	71.1	Confident	75.3	Confident	113 Å²	113	62.8 Å²	62.8	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.5	177.2	-26.6	35.5	0	0	0	111.8	E46	E46-P50 WeakPolarHBondContact O-CA 3.49Å
51	G	63.3	Low	74.5	Confident	70 Å²	70	70 Å²	70	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	1.9	-178.7	0	0	0	0	0	115.9	S49 T53	S49-G51 PolarHBondContact O-N 2.87Å; G51-T53 VanDerWaalsContact C-N 3.29Å; G51-T53 PolarHBondContact O-N 3.49Å
52	S	66.2	Low	74.3	Confident	29 Å²	29	75.2 Å²	75.2	20%	0.203	39%	0.39	C	S	.	.			trans	-76.4	-7.6	176.4	-76.9	0	0	0	0	115.2	S49	S49-S52 WeakPolarHBondContact CB-OG 3.29Å; S49-S52 WeakPolarHBondContact O-CB 3.45Å; S49-S52 PolarHBondContact O-N 2.72Å; S49-S52 PolarHBondContact O-OG 3.36Å; S49-S52 PolarHBondContact OG-OG 2.88Å
53	T	67.8	Low	74	Confident	18 Å²	18	80.3 Å²	80.3	11%	0.11	42%	0.418	C	S	.	.			trans	-121.7	117.4	178	50.4	0	0	0	0	110.7	C42 L45 G51	C42-T53 HydrophobicContact CB-CG2 4.47Å; L45-T53 HydrophobicContact CB-CG2 4.43Å; L45-T53 HydrophobicContact CD2-CG2 3.5Å; L45-T53 HydrophobicContact CG-CG2 4.1Å; G51-T53 VanDerWaalsContact C-N 3.29Å; G51-T53 PolarHBondContact O-N 3.49Å
54	E	60.4	Low	73.8	Confident	162 Å²	162	78 Å²	78	76%	0.757	42%	0.422	S	S	*	.	S	Bend	trans	-85.7	-22	-178.2	-66.2	172.7	128.9	0	0	113.1	K75	E54-K75 IonicContact OE2-NZ 3.09Å; E54-K75 PolarHBondContact OE2-NZ 3.28Å
55	K	67.5	Low	73.7	Confident	121 Å²	121	80.7 Å²	80.7	53%	0.526	44%	0.435	S	S	.	.			trans	-154.7	118.7	-176.9	-160.8	-179.7	-168.9	-170.7	0	111.9	Y57	K55-Y57 HydrophobicContact CD-CE2 4.47Å; K55-Y57 WeakPolarHBondContact CE-OH 3.38Å; K55-Y57 PolarHBondContact NZ-OH 3.38Å
56	I	76.4	Confident	73.8	Confident	49 Å²	49	81.4 Å²	81.4	25%	0.251	44%	0.439	S	S	.	.			trans	-118.6	132.7	174.7	-52.8	173.8	0	0	0	108.1	C42 P58	C42-I56 HydrophobicContact CB-CB 4.46Å; C42-I56 HydrophobicContact CB-CD1 3.66Å; C42-I56 HydrophobicContact CB-CG1 3.76Å; C42-I56 HydrophobicContact CB-CG2 3.89Å; I56-P58 WeakPolarHBondContact O-CD 3.48Å
57	Y	77.7	Confident	73.9	Confident	68 Å²	68	79.2 Å²	79.2	27%	0.267	43%	0.431	S	S	.	.			trans	-92.4	109.3	167.7	-61.7	-82.1	0	0	0	108.6	V39 K55 E59 E65 N69	V39-Y57 WeakPolarHBondContact CG2-O 3.45Å; K55-Y57 HydrophobicContact CD-CE2 4.47Å; K55-Y57 WeakPolarHBondContact CE-OH 3.38Å; K55-Y57 PolarHBondContact NZ-OH 3.38Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.82Å; Y57-E65 HydrophobicContact CD2-CB 4.36Å; Y57-E65 HydrophobicContact CG-CB 4.39Å; Y57-N69 PolarHBondContact N-OD1 2.96Å; Y57-N69 PolarHBondContact O-ND2 2.89Å
58	P	70.4	Confident	74	Confident	105 Å²	105	74.1 Å²	74.1	68%	0.682	42%	0.417	S	S	*	.	S	Bend	trans	-73.7	-22.7	-172.3	29	-35.9	0	0	0	113.9	I56	I56-P58 WeakPolarHBondContact O-CD 3.48Å
59	E	74.3	Confident	74.5	Confident	146 Å²	146	73.2 Å²	73.2	68%	0.682	41%	0.413	S	S	*	.	S	Bend	trans	-132.9	82.3	172.9	-67.5	-174	160.9	0	0	108.6	Y57 K61	Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.82Å; E59-K61 PolarHBondContact O-N 3.21Å
60	P	74.3	Confident	75.1	Confident	28 Å²	28	71.4 Å²	71.4	18%	0.182	40%	0.4	C	S	.	.			trans	-70.4	122.7	178.3	29.4	-32.9	0	0	0	109.8	D37 V39 E65	D37-P60 HydrophobicContact CB-CG 3.83Å; V39-P60 HydrophobicContact CG2-CG 4.17Å; P60-E65 HydrophobicContact CB-CB 3.66Å
61	K	70.3	Confident	75.7	Confident	166 Å²	166	72.2 Å²	72.2	72%	0.722	39%	0.392	S	S	*	.			trans	-95.5	-22	-176.4	-66.9	176.3	-176.2	176	0	112.3	E59 E65	E59-K61 PolarHBondContact O-N 3.21Å; K61-E65 PolarHBondContact N-OE2 3.01Å
62	N	79.3	Confident	76.7	Confident	108 Å²	108	70.6 Å²	70.6	58%	0.578	37%	0.366	S	S	*	.	S	Bend	trans	-125.6	149.2	-177.8	-61.9	-16.9	0	0	0	111.1	G64 E65 C66	N62-G64 PolarHBondContact O-N 3.47Å; N62-E65 PolarHBondContact N-OE2 3.3Å; N62-E65 WeakPolarHBondContact O-CB 3.45Å; N62-E65 PolarHBondContact O-N 3.37Å; N62-C66 PolarHBondContact O-N 3.07Å
63	D	76.9	Confident	77.6	Confident	108 Å²	108	69.3 Å²	69.3	58%	0.578	36%	0.357	S	S	*	.	H	α-helix	trans	-54.3	-29.6	176.8	-72.3	-26.5	0	0	0	113.6	E65 L67 L91	D63-E65 VanDerWaalsContact C-N 3.32Å; D63-E65 PolarHBondContact O-N 2.92Å; D63-L67 WeakPolarHBondContact O-CB 3.32Å; D63-L67 VanDerWaalsContact O-CG 3.31Å; D63-L67 WeakPolarHBondContact O-CG 3.23Å; D63-L67 PolarHBondContact O-N 3.04Å; D63-L91 HydrophobicContact CB-CD2 4.24Å
64	G	78.7	Confident	78.4	Confident	51 Å²	51	69.5 Å²	69.5	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-28.6	174.4	0	0	0	0	0	114.4	N62 S68	N62-G64 PolarHBondContact O-N 3.47Å; G64-S68 PolarHBondContact O-N 2.93Å; G64-S68 VanDerWaalsContact O-N 3.12Å
65	E	82.1	Confident	79.4	Confident	56 Å²	56	66.3 Å²	66.3	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-80.1	-41.5	176.4	-63.9	173.3	155.7	0	0	110.3	Y57 P60 K61 N62 D63 L67 S68 N69	Y57-E65 HydrophobicContact CD2-CB 4.36Å; Y57-E65 HydrophobicContact CG-CB 4.39Å; P60-E65 HydrophobicContact CB-CB 3.66Å; K61-E65 PolarHBondContact N-OE2 3.01Å; N62-E65 PolarHBondContact N-OE2 3.3Å; N62-E65 WeakPolarHBondContact O-CB 3.45Å; N62-E65 PolarHBondContact O-N 3.37Å; D63-E65 VanDerWaalsContact C-N 3.32Å; D63-E65 PolarHBondContact O-N 2.92Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.22Å; E65-S68 WeakPolarHBondContact O-CA 3.3Å; E65-S68 WeakPolarHBondContact O-CB 3.44Å; E65-S68 PolarHBondContact O-N 2.87Å; E65-N69 PolarHBondContact O-N 3.46Å
66	C	82.4	Confident	79.8	Confident	15 Å²	15	60.7 Å²	60.7	10%	0.101	32%	0.317	C	S	.	.	H	α-helix	trans	-55.4	-47.6	169.3	-57	0	0	0	0	111.1	N62 S68 N69 I70 L91	N62-C66 PolarHBondContact O-N 3.07Å; C66-S68 VanDerWaalsContact C-N 3.27Å; C66-S68 PolarHBondContact O-N 2.73Å; C66-N69 PolarHBondContact O-N 3.41Å; C66-I70 VanDerWaalsContact O-CG1 3.28Å; C66-I70 WeakPolarHBondContact O-CG1 3.47Å; C66-I70 PolarHBondContact O-N 3.3Å; C66-L91 HydrophobicContact CB-CD1 3.58Å
67	L	82.7	Confident	79.9	Confident	48 Å²	48	58.6 Å²	58.6	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-31.4	174.9	-76.8	171	0	0	0	113.2	D63 E65 K71 A87 L91	D63-L67 WeakPolarHBondContact O-CB 3.32Å; D63-L67 VanDerWaalsContact O-CG 3.31Å; D63-L67 WeakPolarHBondContact O-CG 3.23Å; D63-L67 PolarHBondContact O-N 3.04Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.22Å; L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.48Å; L67-K71 WeakPolarHBondContact O-CD 3.47Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-A87 HydrophobicContact CD2-CB 3.79Å; L67-L91 HydrophobicContact CD1-CD2 4.03Å; L67-L91 HydrophobicContact CD2-CB 4.22Å; L67-L91 HydrophobicContact CD2-CD2 3.97Å; L67-L91 HydrophobicContact CG-CD1 4.46Å; L67-L91 HydrophobicContact CG-CD2 3.82Å
68	S	82.9	Confident	79.8	Confident	39 Å²	39	59.8 Å²	59.8	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-46.4	175.3	-164.7	0	0	0	0	111.2	G64 E65 C66 K71 E72	G64-S68 PolarHBondContact O-N 2.93Å; G64-S68 VanDerWaalsContact O-N 3.12Å; E65-S68 WeakPolarHBondContact O-CA 3.3Å; E65-S68 WeakPolarHBondContact O-CB 3.44Å; E65-S68 PolarHBondContact O-N 2.87Å; C66-S68 VanDerWaalsContact C-N 3.27Å; C66-S68 PolarHBondContact O-N 2.73Å; S68-K71 PolarHBondContact O-N 3.02Å; S68-E72 PolarHBondContact O-N 3.46Å
69	N	86.4	Confident	79.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-49.5	176	-71.6	-13.9	0	0	0	110.9	D37 C42 Y57 E65 C66 K71 E72 F73	D37-N69 PolarHBondContact O-ND2 3.04Å; C42-N69 PolarHBondContact SG-O 3.13Å; Y57-N69 PolarHBondContact N-OD1 2.96Å; Y57-N69 PolarHBondContact O-ND2 2.89Å; E65-N69 PolarHBondContact O-N 3.46Å; C66-N69 PolarHBondContact O-N 3.41Å; N69-K71 VanDerWaalsContact C-N 3.3Å; N69-K71 PolarHBondContact O-N 3.28Å; N69-E72 PolarHBondContact O-N 3.39Å; N69-F73 PolarHBondContact O-N 3.16Å
70	I	85.8	Confident	79.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-38.6	179.1	-62.9	165	0	0	0	111.2	C66 F73 L74 F85 A87 L90 L91	C66-I70 VanDerWaalsContact O-CG1 3.28Å; C66-I70 WeakPolarHBondContact O-CG1 3.47Å; C66-I70 PolarHBondContact O-N 3.3Å; I70-F73 PolarHBondContact O-N 3.39Å; I70-L74 HydrophobicContact CG2-CD1 4.05Å; I70-L74 HydrophobicContact CG2-CG 4.43Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.49Å; I70-F85 HydrophobicContact CG2-CE2 3.9Å; I70-F85 HydrophobicContact CG2-CZ 4.4Å; I70-A87 HydrophobicContact CB-CB 4.39Å; I70-A87 HydrophobicContact CG2-CB 3.75Å; I70-L90 HydrophobicContact CD1-CB 4.44Å; I70-L90 HydrophobicContact CD1-CD2 4Å; I70-L90 HydrophobicContact CD1-CG 4.17Å; I70-L90 HydrophobicContact CG1-CD2 4.12Å; I70-L90 HydrophobicContact CG2-CD2 4.42Å; I70-L91 HydrophobicContact CD1-CD1 4.44Å
71	K	83.5	Confident	79.8	Confident	129 Å²	129	63.1 Å²	63.1	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-39.6	176.6	-78	172.7	-178.5	-179	0	113.4	L67 S68 N69 F73 L74 K75 A87	L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.48Å; L67-K71 WeakPolarHBondContact O-CD 3.47Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; L67-K71 PolarHBondContact O-N 3.29Å; S68-K71 PolarHBondContact O-N 3.02Å; N69-K71 VanDerWaalsContact C-N 3.3Å; N69-K71 PolarHBondContact O-N 3.28Å; K71-F73 VanDerWaalsContact C-N 3.35Å; K71-L74 PolarHBondContact O-N 3.11Å; K71-K75 WeakPolarHBondContact O-CB 3.44Å; K71-K75 PolarHBondContact O-N 3.22Å; K71-A87 HydrophobicContact CG-CB 4.29Å
72	E	83.7	Confident	80.1	Confident	36 Å²	36	55.9 Å²	55.9	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-36.9	174.6	-75.4	-64	138.3	0	0	111.6	S68 N69 K75 G76	S68-E72 PolarHBondContact O-N 3.46Å; N69-E72 PolarHBondContact O-N 3.39Å; E72-K75 WeakPolarHBondContact O-CB 3.23Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-K75 IonicContact OE1-NZ 2.71Å; E72-K75 PolarHBondContact OE1-NZ 3.46Å; E72-K75 WeakPolarHBondContact OE2-CD 3.25Å; E72-K75 IonicContact OE2-NZ 3.18Å; E72-K75 PolarHBondContact OE2-NZ 3.48Å; E72-G76 PolarHBondContact O-N 3.17Å
73	F	86	Confident	79.6	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-50.9	169.7	173.7	-103.6	0	0	0	112.2	L41 L44 L45 N69 I70 K71 K75 G76 C77 F85 L103 L106	L41-F73 HydrophobicContact CB-CB 3.98Å; L41-F73 HydrophobicContact CB-CD1 4.12Å; L41-F73 HydrophobicContact CB-CD2 3.7Å; L41-F73 HydrophobicContact CB-CE2 4.16Å; L41-F73 HydrophobicContact CB-CG 3.65Å; L41-F73 HydrophobicContact CD1-CD1 3.98Å; L41-F73 HydrophobicContact CD1-CE1 4.28Å; L41-F73 HydrophobicContact CD1-CG 4.33Å; L41-F73 HydrophobicContact CD2-CD1 4.45Å; L41-F73 HydrophobicContact CD2-CE1 4.11Å; L41-F73 HydrophobicContact CD2-CE2 4.19Å; L41-F73 HydrophobicContact CD2-CZ 3.95Å; L41-F73 HydrophobicContact CG-CD1 4.43Å; L41-F73 HydrophobicContact CG-CG 4.44Å; L41-F73 WeakPolarHBondContact O-CD2 3.21Å; L44-F73 HydrophobicContact CD2-CE2 4.21Å; L45-F73 HydrophobicContact CB-CD2 3.99Å; L45-F73 HydrophobicContact CB-CE2 4.41Å; L45-F73 HydrophobicContact CD2-CD2 4.48Å; N69-F73 PolarHBondContact O-N 3.16Å; I70-F73 PolarHBondContact O-N 3.39Å; K71-F73 VanDerWaalsContact C-N 3.35Å; F73-K75 VanDerWaalsContact C-N 3.29Å; F73-K75 PolarHBondContact O-N 3Å; F73-G76 PolarHBondContact O-N 3.05Å; F73-C77 VanDerWaalsContact CE1-SG 3.51Å; F73-C77 WeakPolarHBondContact CZ-SG 3.38Å; F73-C77 PolarHBondContact O-N 3.4Å; F73-C77 PolarHBondContact O-SG 2.88Å; F73-C77 VanDerWaalsContact O-SG 3.42Å; F73-F85 HydrophobicContact CD1-CE1 4.31Å; F73-F85 HydrophobicContact CD1-CZ 4.16Å; F73-F85 AromaticContact CE1-CE1 3.83Å; F73-F85 HydrophobicContact CE1-CE1 3.83Å; F73-F85 HydrophobicContact CE1-CZ 4.1Å; F73-L103 HydrophobicContact CZ-CD2 3.99Å; F73-L106 HydrophobicContact CE2-CD2 4.16Å; F73-L106 HydrophobicContact CZ-CD2 3.96Å
74	L	84.2	Confident	79.5	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-36.5	179.8	-67.6	170.1	0	0	0	112.3	I70 K71 C77 T78 P84 F85 A87	I70-L74 HydrophobicContact CG2-CD1 4.05Å; I70-L74 HydrophobicContact CG2-CG 4.43Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.33Å; I70-L74 PolarHBondContact O-N 3.49Å; K71-L74 PolarHBondContact O-N 3.11Å; L74-C77 PolarHBondContact O-N 3.23Å; L74-T78 PolarHBondContact O-N 2.85Å; L74-P84 HydrophobicContact CD2-CB 3.84Å; L74-F85 HydrophobicContact CD1-CE2 4.42Å; L74-F85 VanDerWaalsContact CD1-O 3.23Å; L74-F85 WeakPolarHBondContact CD1-O 3.5Å; L74-F85 HydrophobicContact CD2-CD1 3.91Å; L74-F85 HydrophobicContact CD2-CD2 4.12Å; L74-F85 HydrophobicContact CD2-CE1 3.84Å; L74-F85 HydrophobicContact CD2-CE2 4.03Å; L74-F85 HydrophobicContact CD2-CG 4.06Å; L74-F85 HydrophobicContact CD2-CZ 3.89Å; L74-F85 VanDerWaalsContact CD2-O 3.31Å; L74-F85 WeakPolarHBondContact CD2-O 3.17Å; L74-F85 HydrophobicContact CG-CE2 4.49Å; L74-A87 HydrophobicContact CD1-CB 4.18Å
75	K	81.8	Confident	79.7	Confident	94 Å²	94	55.4 Å²	55.4	41%	0.409	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-48.9	172.6	176.1	-176.2	162.4	-155.3	0	111	E54 K71 E72 F73 T78	E54-K75 IonicContact OE2-NZ 3.09Å; E54-K75 PolarHBondContact OE2-NZ 3.28Å; K71-K75 WeakPolarHBondContact O-CB 3.44Å; K71-K75 PolarHBondContact O-N 3.22Å; E72-K75 WeakPolarHBondContact O-CB 3.23Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-K75 IonicContact OE1-NZ 2.71Å; E72-K75 PolarHBondContact OE1-NZ 3.46Å; E72-K75 WeakPolarHBondContact OE2-CD 3.25Å; E72-K75 IonicContact OE2-NZ 3.18Å; E72-K75 PolarHBondContact OE2-NZ 3.48Å; F73-K75 VanDerWaalsContact C-N 3.29Å; F73-K75 PolarHBondContact O-N 3Å; K75-T78 WeakPolarHBondContact O-CB 3.13Å; K75-T78 PolarHBondContact O-N 3.27Å; K75-T78 PolarHBondContact O-OG1 3.04Å
76	G	76.6	Confident	79.6	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-32.9	176.6	0	0	0	0	0	114.5	E72 F73 T78 S79	E72-G76 PolarHBondContact O-N 3.17Å; F73-G76 PolarHBondContact O-N 3.05Å; G76-T78 PolarHBondContact O-N 3.3Å; G76-T78 VanDerWaalsContact O-N 3.17Å; G76-S79 WeakPolarHBondContact O-CB 3.5Å; G76-S79 PolarHBondContact O-N 3.42Å; G76-S79 PolarHBondContact O-OG 2.81Å
77	C	78.1	Confident	79.4	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-25	173.6	-76.8	0	0	0	0	113.6	F73 L74 S79 F80 R81	F73-C77 VanDerWaalsContact CE1-SG 3.51Å; F73-C77 WeakPolarHBondContact CZ-SG 3.38Å; F73-C77 PolarHBondContact O-N 3.4Å; F73-C77 PolarHBondContact O-SG 2.88Å; F73-C77 VanDerWaalsContact O-SG 3.42Å; L74-C77 PolarHBondContact O-N 3.23Å; C77-S79 PolarHBondContact O-N 3.03Å; C77-F80 PolarHBondContact O-N 3.4Å; C77-R81 PolarHBondContact O-N 3.47Å
78	T	74.6	Confident	79	Confident	93 Å²	93	58.3 Å²	58.3	57%	0.571	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.9	-32.3	174.5	69.3	0	0	0	0	112.8	L74 K75 G76 F80 R81	L74-T78 PolarHBondContact O-N 2.85Å; K75-T78 WeakPolarHBondContact O-CB 3.13Å; K75-T78 PolarHBondContact O-N 3.27Å; K75-T78 PolarHBondContact O-OG1 3.04Å; G76-T78 PolarHBondContact O-N 3.3Å; G76-T78 VanDerWaalsContact O-N 3.17Å; T78-F80 PolarHBondContact O-N 3.44Å; T78-R81 PolarHBondContact O-N 2.96Å; T78-R81 VanDerWaalsContact O-N 3.17Å
79	S	73.1	Confident	78.8	Confident	86 Å²	86	56.7 Å²	56.7	60%	0.601	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.8	-28.8	174.8	-58.5	0	0	0	0	112.9	G76 C77	G76-S79 WeakPolarHBondContact O-CB 3.5Å; G76-S79 PolarHBondContact O-N 3.42Å; G76-S79 PolarHBondContact O-OG 2.81Å; C77-S79 PolarHBondContact O-N 3.03Å
80	F	74.1	Confident	78.4	Confident	24 Å²	24	56.8 Å²	56.8	11%	0.105	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-91.6	3.1	179.8	-65.4	-84.2	0	0	0	113.5	L45 L48 C77 T78 V82 L106 V109 T110 I113	L45-F80 HydrophobicContact CD1-CD2 4.47Å; L45-F80 HydrophobicContact CD1-CE2 3.83Å; L48-F80 HydrophobicContact CB-CZ 3.98Å; C77-F80 PolarHBondContact O-N 3.4Å; T78-F80 PolarHBondContact O-N 3.44Å; F80-V82 HydrophobicContact CB-CG2 4.07Å; F80-V82 PolarHBondContact O-N 3.38Å; F80-V82 VanDerWaalsContact O-N 3.17Å; F80-L106 HydrophobicContact CB-CD1 3.76Å; F80-L106 HydrophobicContact CD1-CD1 4.25Å; F80-L106 HydrophobicContact CD2-CD1 3.99Å; F80-L106 HydrophobicContact CG-CD1 3.74Å; F80-V109 HydrophobicContact CB-CG1 4.33Å; F80-V109 HydrophobicContact CD1-CG1 4.29Å; F80-T110 HydrophobicContact CD1-CG2 4.16Å; F80-T110 HydrophobicContact CE1-CG2 3.98Å; F80-I113 HydrophobicContact CD1-CD1 4.18Å; F80-I113 HydrophobicContact CE1-CD1 4.13Å
81	R	72	Confident	77.7	Confident	238 Å²	238	57.6 Å²	57.6	90%	0.898	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	27.6	-178.6	-56.4	-177.4	174.8	-133.9	-0.7	114.6	C77 T78	C77-R81 PolarHBondContact O-N 3.47Å; T78-R81 PolarHBondContact O-N 2.96Å; T78-R81 VanDerWaalsContact O-N 3.17Å
82	V	77.1	Confident	77.1	Confident	14 Å²	14	57 Å²	57	9%	0.085	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-85.4	142.7	175.5	177.7	0	0	0	0	109.5	F80 P84 S102 A105 L106 V109	F80-V82 HydrophobicContact CB-CG2 4.07Å; F80-V82 PolarHBondContact O-N 3.38Å; F80-V82 VanDerWaalsContact O-N 3.17Å; V82-P84 VanDerWaalsContact O-CD 3.28Å; V82-P84 WeakPolarHBondContact O-CD 3.34Å; V82-S102 WeakPolarHBondContact CG1-O 3.39Å; V82-A105 HydrophobicContact CG1-CB 3.9Å; V82-L106 HydrophobicContact CG2-CB 4.17Å; V82-L106 HydrophobicContact CG2-CD1 4.03Å; V82-V109 HydrophobicContact CG2-CG2 4.29Å
83	E	69.7	Low	76.5	Confident	168 Å²	168	56.3 Å²	56.3	79%	0.785	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-64.4	117.4	171.9	-69.4	-170	151.9	0	0	110.4	S102	E83-S102 WeakPolarHBondContact O-CB 3.26Å; E83-S102 PolarHBondContact O-OG 3.45Å
84	P	74.1	Confident	75.7	Confident	81 Å²	81	61.9 Å²	61.9	53%	0.526	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-76.6	139.1	-180	30.6	-32.8	0	0	0	111.1	L74 V82	L74-P84 HydrophobicContact CD2-CB 3.84Å; V82-P84 VanDerWaalsContact O-CD 3.28Å; V82-P84 WeakPolarHBondContact O-CD 3.34Å
85	F	82.9	Confident	75.2	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.039	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-78	162.9	165.3	60.8	-94.5	0	0	0	110.8	L41 I70 F73 L74 L90 K98 V99	L41-F85 HydrophobicContact CD1-CZ 4.1Å; I70-F85 HydrophobicContact CG2-CE2 3.9Å; I70-F85 HydrophobicContact CG2-CZ 4.4Å; F73-F85 HydrophobicContact CD1-CE1 4.31Å; F73-F85 HydrophobicContact CD1-CZ 4.16Å; F73-F85 AromaticContact CE1-CE1 3.83Å; F73-F85 HydrophobicContact CE1-CE1 3.83Å; F73-F85 HydrophobicContact CE1-CZ 4.1Å; L74-F85 HydrophobicContact CD1-CE2 4.42Å; L74-F85 VanDerWaalsContact CD1-O 3.23Å; L74-F85 WeakPolarHBondContact CD1-O 3.5Å; L74-F85 HydrophobicContact CD2-CD1 3.91Å; L74-F85 HydrophobicContact CD2-CD2 4.12Å; L74-F85 HydrophobicContact CD2-CE1 3.84Å; L74-F85 HydrophobicContact CD2-CE2 4.03Å; L74-F85 HydrophobicContact CD2-CG 4.06Å; L74-F85 HydrophobicContact CD2-CZ 3.89Å; L74-F85 VanDerWaalsContact CD2-O 3.31Å; L74-F85 WeakPolarHBondContact CD2-O 3.17Å; L74-F85 HydrophobicContact CG-CE2 4.49Å; F85-L90 HydrophobicContact CD2-CB 4.33Å; F85-L90 HydrophobicContact CE2-CB 3.8Å; F85-L90 HydrophobicContact CE2-CD2 3.86Å; F85-L90 HydrophobicContact CZ-CD2 3.93Å; F85-K98 HydrophobicContact CB-CB 4.33Å; F85-V99 HydrophobicContact CB-CG2 4.3Å; F85-V99 HydrophobicContact CD1-CB 4.24Å; F85-V99 HydrophobicContact CD1-CG1 4.08Å; F85-V99 HydrophobicContact CD1-CG2 4.3Å; F85-V99 HydrophobicContact CD2-CG2 3.83Å; F85-V99 HydrophobicContact CE1-CB 4.42Å; F85-V99 HydrophobicContact CE1-CG1 3.76Å; F85-V99 HydrophobicContact CE2-CG1 4.31Å; F85-V99 HydrophobicContact CE2-CG2 4.2Å; F85-V99 HydrophobicContact CG-CB 4.32Å; F85-V99 HydrophobicContact CG-CG1 4.47Å; F85-V99 HydrophobicContact CG-CG2 3.9Å; F85-V99 HydrophobicContact CZ-CG1 3.91Å
86	E	79.7	Confident	75.2	Confident	122 Å²	122	60.6 Å²	60.6	57%	0.57	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-79.3	140.6	174.8	-61.3	-168.1	168.8	0	0	111.3	S88 D89	E86-S88 WeakPolarHBondContact CB-OG 3.48Å; E86-S88 PolarHBondContact O-N 3.46Å; E86-S88 PolarHBondContact OE2-OG 2.75Å; E86-S88 VanDerWaalsContact OE2-OG 3.09Å; E86-D89 PolarHBondContact N-OD2 3.43Å; E86-D89 WeakPolarHBondContact O-CB 3.43Å; E86-D89 PolarHBondContact O-N 2.91Å
87	A	79.4	Confident	75.3	Confident	13 Å²	13	64.7 Å²	64.7	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-57.7	-25.9	178.3	0	0	0	0	0	113.4	L67 I70 K71 L74 L91	L67-A87 HydrophobicContact CD2-CB 3.79Å; I70-A87 HydrophobicContact CB-CB 4.39Å; I70-A87 HydrophobicContact CG2-CB 3.75Å; K71-A87 HydrophobicContact CG-CB 4.29Å; L74-A87 HydrophobicContact CD1-CB 4.18Å; A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 PolarHBondContact O-N 2.97Å
88	S	73.8	Confident	75.4	Confident	44 Å²	44	69.6 Å²	69.6	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-41.3	168.9	12.7	0	0	0	0	113.4	E86 L90 L92	E86-S88 WeakPolarHBondContact CB-OG 3.48Å; E86-S88 PolarHBondContact O-N 3.46Å; E86-S88 PolarHBondContact OE2-OG 2.75Å; E86-S88 VanDerWaalsContact OE2-OG 3.09Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.83Å; S88-L92 VanDerWaalsContact O-CB 3.31Å; S88-L92 WeakPolarHBondContact O-CB 3.31Å; S88-L92 PolarHBondContact O-N 2.8Å
89	D	78.3	Confident	75.7	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.032	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-36.7	-174.8	-72	-33.9	0	0	0	111.9	E86 G93 L94 N95 K98 V99	E86-D89 PolarHBondContact N-OD2 3.43Å; E86-D89 WeakPolarHBondContact O-CB 3.43Å; E86-D89 PolarHBondContact O-N 2.91Å; D89-G93 CarbonylContact O-C 3.45Å; D89-G93 VanDerWaalsContact O-CA 3.31Å; D89-G93 WeakPolarHBondContact O-CA 3.45Å; D89-G93 PolarHBondContact O-N 3.47Å; D89-L94 PolarHBondContact O-N 3.41Å; D89-L94 VanDerWaalsContact O-N 3.16Å; D89-N95 HydrophobicContact CB-CB 4.08Å; D89-N95 WeakPolarHBondContact OD1-CB 3.33Å; D89-N95 PolarHBondContact OD1-ND2 3.16Å; D89-K98 IonicContact OD2-NZ 2.79Å; D89-V99 HydrophobicContact CB-CG2 4.43Å
90	L	76.9	Confident	76.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-84.6	-45.4	178.8	-179.9	54.9	0	0	0	112.6	L35 L41 I70 F85 S88 G93 F96 V99	L35-L90 HydrophobicContact CB-CD1 4.21Å; L35-L90 HydrophobicContact CB-CD2 4.45Å; L41-L90 HydrophobicContact CD1-CD2 3.46Å; L41-L90 VanDerWaalsContact CD1-CD2 3.46Å; I70-L90 HydrophobicContact CD1-CB 4.44Å; I70-L90 HydrophobicContact CD1-CD2 4Å; I70-L90 HydrophobicContact CD1-CG 4.17Å; I70-L90 HydrophobicContact CG1-CD2 4.12Å; I70-L90 HydrophobicContact CG2-CD2 4.42Å; F85-L90 HydrophobicContact CD2-CB 4.33Å; F85-L90 HydrophobicContact CE2-CB 3.8Å; F85-L90 HydrophobicContact CE2-CD2 3.86Å; F85-L90 HydrophobicContact CZ-CD2 3.93Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.83Å; L90-G93 PolarHBondContact O-N 2.66Å; L90-F96 HydrophobicContact CD1-CD2 4.44Å; L90-F96 HydrophobicContact CD1-CE2 4.39Å; L90-V99 HydrophobicContact CB-CG2 4.03Å; L90-V99 HydrophobicContact CD1-CG1 4.25Å; L90-V99 HydrophobicContact CD1-CG2 4.47Å; L90-V99 HydrophobicContact CD2-CG1 4.41Å
91	L	72.3	Confident	76.6	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-43	-177.2	-168.5	89.1	0	0	0	112.3	K36 D63 C66 L67 I70 A87	K36-L91 WeakPolarHBondContact CE-O 3.39Å; D63-L91 HydrophobicContact CB-CD2 4.24Å; C66-L91 HydrophobicContact CB-CD1 3.58Å; L67-L91 HydrophobicContact CD1-CD2 4.03Å; L67-L91 HydrophobicContact CD2-CB 4.22Å; L67-L91 HydrophobicContact CD2-CD2 3.97Å; L67-L91 HydrophobicContact CG-CD1 4.46Å; L67-L91 HydrophobicContact CG-CD2 3.82Å; I70-L91 HydrophobicContact CD1-CD1 4.44Å; A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 PolarHBondContact O-N 2.97Å
92	L	71.3	Confident	77.2	Confident	116 Å²	116	53.2 Å²	53.2	61%	0.607	30%	0.297	S	S	*	.	S	Bend	trans	-89.8	-10.2	179.7	-58	175	0	0	0	112.5	S88 L94	S88-L92 VanDerWaalsContact O-CB 3.31Å; S88-L92 WeakPolarHBondContact O-CB 3.31Å; S88-L92 PolarHBondContact O-N 2.8Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 HydrophobicContact CB-CD1 3.87Å; L92-L94 HydrophobicContact CB-CG 3.81Å; L92-L94 HydrophobicContact CD1-CD1 3.98Å; L92-L94 PolarHBondContact O-N 2.9Å
93	G	70	Confident	77.6	Confident	22 Å²	22	52.6 Å²	52.6	23%	0.227	29%	0.293	C	S	.	.			trans	72.8	18.7	177.2	0	0	0	0	0	115.2	D89 L90	D89-G93 CarbonylContact O-C 3.45Å; D89-G93 VanDerWaalsContact O-CA 3.31Å; D89-G93 WeakPolarHBondContact O-CA 3.45Å; D89-G93 PolarHBondContact O-N 3.47Å; L90-G93 PolarHBondContact O-N 2.66Å
94	L	69.3	Low	78.3	Confident	121 Å²	121	45.9 Å²	45.9	63%	0.634	26%	0.264	S	S	*	.	S	Bend	trans	-78.5	-30.7	-168.4	-64.6	172.3	0	0	0	113.8	D89 L92	D89-L94 PolarHBondContact O-N 3.41Å; D89-L94 VanDerWaalsContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 HydrophobicContact CB-CD1 3.87Å; L92-L94 HydrophobicContact CB-CG 3.81Å; L92-L94 HydrophobicContact CD1-CD1 3.98Å; L92-L94 PolarHBondContact O-N 2.9Å
95	N	74.2	Confident	78.7	Confident	73 Å²	73	43.8 Å²	43.8	39%	0.39	25%	0.253	S	S	.	.			trans	-140.3	55.7	-178.9	-64.1	-71.8	0	0	0	112.3	D89 S97 K98	D89-N95 HydrophobicContact CB-CB 4.08Å; D89-N95 WeakPolarHBondContact OD1-CB 3.33Å; D89-N95 PolarHBondContact OD1-ND2 3.16Å; N95-S97 PolarHBondContact O-N 2.87Å; N95-S97 VanDerWaalsContact O-N 3.08Å; N95-K98 HydrophobicContact CB-CD 4.06Å; N95-K98 HydrophobicContact CB-CG 4.22Å; N95-K98 WeakPolarHBondContact O-CB 3.35Å; N95-K98 PolarHBondContact O-N 2.91Å
96	F	80.9	Confident	78.7	Confident	16 Å²	16	43.4 Å²	43.4	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-29.7	-178.3	-171.4	-105.5	0	0	0	113.9	E28 L31 Q32 L90 K98 V99 L100	E28-F96 HydrophobicContact CB-CD1 4.27Å; E28-F96 HydrophobicContact CB-CE1 4.14Å; E28-F96 HydrophobicContact CG-CE1 4.31Å; L31-F96 HydrophobicContact CB-CE1 4.3Å; L31-F96 HydrophobicContact CB-CE2 4.43Å; L31-F96 HydrophobicContact CB-CZ 3.58Å; L31-F96 HydrophobicContact CD1-CZ 4.37Å; Q32-F96 HydrophobicContact CB-CD2 3.91Å; Q32-F96 HydrophobicContact CB-CE2 3.93Å; Q32-F96 HydrophobicContact CB-CG 4.35Å; Q32-F96 HydrophobicContact CB-CZ 4.39Å; Q32-F96 HydrophobicContact CG-CD2 4.03Å; Q32-F96 HydrophobicContact CG-CE2 4.46Å; L90-F96 HydrophobicContact CD1-CD2 4.44Å; L90-F96 HydrophobicContact CD1-CE2 4.39Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 3.1Å; F96-V99 HydrophobicContact CD2-CB 4.18Å; F96-V99 HydrophobicContact CD2-CG2 4.38Å; F96-V99 HydrophobicContact CE2-CB 4.31Å; F96-V99 HydrophobicContact CE2-CG1 4.27Å; F96-V99 WeakPolarHBondContact O-CB 3.48Å; F96-V99 PolarHBondContact O-N 2.97Å; F96-V99 VanDerWaalsContact O-N 3.09Å; F96-L100 HydrophobicContact CE1-CB 4.35Å; F96-L100 PolarHBondContact O-N 3Å
97	S	79.6	Confident	78.9	Confident	88 Å²	88	39.6 Å²	39.6	62%	0.615	24%	0.235	S	C	*	.	H	α-helix	trans	-56.2	-34.6	173.3	-179.5	0	0	0	0	113.9	N95 S101	N95-S97 PolarHBondContact O-N 2.87Å; N95-S97 VanDerWaalsContact O-N 3.08Å; S97-S101 WeakPolarHBondContact O-CB 3.48Å; S97-S101 PolarHBondContact O-N 3.39Å; S97-S101 PolarHBondContact O-OG 3.45Å
98	K	80	Confident	79	Confident	109 Å²	109	45.7 Å²	45.7	47%	0.474	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-46.1	173.3	-69.6	-177.5	-179	175	0	111.6	F85 D89 N95 F96 L100 S101 S102	F85-K98 HydrophobicContact CB-CB 4.33Å; D89-K98 IonicContact OD2-NZ 2.79Å; N95-K98 HydrophobicContact CB-CD 4.06Å; N95-K98 HydrophobicContact CB-CG 4.22Å; N95-K98 WeakPolarHBondContact O-CB 3.35Å; N95-K98 PolarHBondContact O-N 2.91Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 3.1Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 2.91Å; K98-S101 WeakPolarHBondContact O-CB 3.48Å; K98-S101 PolarHBondContact O-N 2.88Å; K98-S101 VanDerWaalsContact O-N 3.13Å; K98-S102 PolarHBondContact O-N 2.92Å; K98-S102 PolarHBondContact O-OG 2.92Å
99	V	82	Confident	79.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.2	-48.1	176.9	-174.2	0	0	0	0	110.3	F85 D89 L90 F96 S101 S102 L103	F85-V99 HydrophobicContact CB-CG2 4.3Å; F85-V99 HydrophobicContact CD1-CB 4.24Å; F85-V99 HydrophobicContact CD1-CG1 4.08Å; F85-V99 HydrophobicContact CD1-CG2 4.3Å; F85-V99 HydrophobicContact CD2-CG2 3.83Å; F85-V99 HydrophobicContact CE1-CB 4.42Å; F85-V99 HydrophobicContact CE1-CG1 3.76Å; F85-V99 HydrophobicContact CE2-CG1 4.31Å; F85-V99 HydrophobicContact CE2-CG2 4.2Å; F85-V99 HydrophobicContact CG-CB 4.32Å; F85-V99 HydrophobicContact CG-CG1 4.47Å; F85-V99 HydrophobicContact CG-CG2 3.9Å; F85-V99 HydrophobicContact CZ-CG1 3.91Å; D89-V99 HydrophobicContact CB-CG2 4.43Å; L90-V99 HydrophobicContact CB-CG2 4.03Å; L90-V99 HydrophobicContact CD1-CG1 4.25Å; L90-V99 HydrophobicContact CD1-CG2 4.47Å; L90-V99 HydrophobicContact CD2-CG1 4.41Å; F96-V99 HydrophobicContact CD2-CB 4.18Å; F96-V99 HydrophobicContact CD2-CG2 4.38Å; F96-V99 HydrophobicContact CE2-CB 4.31Å; F96-V99 HydrophobicContact CE2-CG1 4.27Å; F96-V99 WeakPolarHBondContact O-CB 3.48Å; F96-V99 PolarHBondContact O-N 2.97Å; F96-V99 VanDerWaalsContact O-N 3.09Å; V99-S101 PolarHBondContact O-N 3.43Å; V99-S102 PolarHBondContact O-N 2.92Å; V99-L103 HydrophobicContact CG1-CD1 4.17Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 3.46Å
100	L	83.1	Confident	79	Confident	8 Å²	8	46 Å²	46	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-39.7	178.7	-173.3	59	0	0	0	112	S3 A4 T7 L31 F96 K98 L103 V104	S3-L100 WeakPolarHBondContact OG-CD2 3.49Å; A4-L100 HydrophobicContact CB-CD2 4.13Å; T7-L100 HydrophobicContact CG2-CD1 4.26Å; T7-L100 WeakPolarHBondContact OG1-CD1 3.42Å; L31-L100 HydrophobicContact CD1-CD1 4.21Å; F96-L100 HydrophobicContact CE1-CB 4.35Å; F96-L100 PolarHBondContact O-N 3Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 2.91Å; L100-L103 PolarHBondContact O-N 3.44Å; L100-V104 WeakPolarHBondContact O-CB 3.45Å; L100-V104 VanDerWaalsContact O-CG2 3.32Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.09Å
101	S	82.9	Confident	78.6	Confident	71 Å²	71	48.3 Å²	48.3	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.2	-60.7	0	0	0	0	112.3	S97 K98 V99 V104 A105	S97-S101 WeakPolarHBondContact O-CB 3.48Å; S97-S101 PolarHBondContact O-N 3.39Å; S97-S101 PolarHBondContact O-OG 3.45Å; K98-S101 WeakPolarHBondContact O-CB 3.48Å; K98-S101 PolarHBondContact O-N 2.88Å; K98-S101 VanDerWaalsContact O-N 3.13Å; V99-S101 PolarHBondContact O-N 3.43Å; S101-V104 PolarHBondContact O-N 3.28Å; S101-A105 WeakPolarHBondContact O-CB 3.47Å; S101-A105 PolarHBondContact O-N 3.01Å
102	S	83.8	Confident	77.8	Confident	18 Å²	18	54.9 Å²	54.9	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-40.4	174.2	-59.1	0	0	0	0	112.2	V82 E83 K98 V99 A105 L106	V82-S102 WeakPolarHBondContact CG1-O 3.39Å; E83-S102 WeakPolarHBondContact O-CB 3.26Å; E83-S102 PolarHBondContact O-OG 3.45Å; K98-S102 PolarHBondContact O-N 2.92Å; K98-S102 PolarHBondContact O-OG 2.92Å; V99-S102 PolarHBondContact O-N 2.92Å; S102-A105 PolarHBondContact O-N 3.33Å; S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 3.33Å
103	L	84.8	Confident	77.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-67.8	-40.2	177.3	-71.8	170.5	0	0	0	112.5	T7 W10 L35 L41 L44 F73 V99 L100 A105 L106 N107	T7-L103 HydrophobicContact CG2-CB 4.05Å; T7-L103 HydrophobicContact CG2-CD1 4.03Å; W10-L103 HydrophobicContact CZ3-CD2 4.46Å; L35-L103 HydrophobicContact CD1-CD1 3.67Å; L41-L103 HydrophobicContact CD2-CD1 4.49Å; L41-L103 HydrophobicContact CD2-CD2 3.88Å; L44-L103 HydrophobicContact CD2-CD2 4.02Å; F73-L103 HydrophobicContact CZ-CD2 3.99Å; V99-L103 HydrophobicContact CG1-CD1 4.17Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 3.46Å; L100-L103 PolarHBondContact O-N 3.44Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-L106 PolarHBondContact O-N 2.84Å; L103-N107 WeakPolarHBondContact O-CB 3.32Å; L103-N107 PolarHBondContact O-N 3.36Å
104	V	84.1	Confident	76.1	Confident	28 Å²	28	55.9 Å²	55.9	17%	0.17	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-36.6	174	170.3	0	0	0	0	111.4	L100 S101 K108	L100-V104 WeakPolarHBondContact O-CB 3.45Å; L100-V104 VanDerWaalsContact O-CG2 3.32Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.09Å; S101-V104 PolarHBondContact O-N 3.28Å; V104-K108 WeakPolarHBondContact O-CG 3.24Å; V104-K108 PolarHBondContact O-N 3.49Å; V104-K108 VanDerWaalsContact O-N 3.13Å
105	A	83.5	Confident	75.4	Confident	37 Å²	37	52.9 Å²	52.9	31%	0.306	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-43.2	173	0	0	0	0	0	111.9	V82 S101 S102 L103 K108 V109	V82-A105 HydrophobicContact CG1-CB 3.9Å; S101-A105 WeakPolarHBondContact O-CB 3.47Å; S101-A105 PolarHBondContact O-N 3.01Å; S102-A105 PolarHBondContact O-N 3.33Å; L103-A105 VanDerWaalsContact C-N 3.35Å; A105-K108 PolarHBondContact O-N 2.92Å; A105-V109 WeakPolarHBondContact O-CG2 3.45Å; A105-V109 PolarHBondContact O-N 3.18Å
106	L	83.3	Confident	73.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-47.2	175.3	-175.3	63.7	0	0	0	111.4	W10 L44 L48 F73 F80 V82 S102 L103 K108 V109 T110	W10-L106 HydrophobicContact CH2-CB 4.36Å; W10-L106 HydrophobicContact CH2-CD2 4.16Å; W10-L106 HydrophobicContact CH2-CG 4.11Å; L44-L106 HydrophobicContact CD2-CD2 4.23Å; L48-L106 HydrophobicContact CD1-CD1 4.48Å; L48-L106 HydrophobicContact CD1-CD2 3.94Å; L48-L106 HydrophobicContact CD1-CG 4.13Å; F73-L106 HydrophobicContact CE2-CD2 4.16Å; F73-L106 HydrophobicContact CZ-CD2 3.96Å; F80-L106 HydrophobicContact CB-CD1 3.76Å; F80-L106 HydrophobicContact CD1-CD1 4.25Å; F80-L106 HydrophobicContact CD2-CD1 3.99Å; F80-L106 HydrophobicContact CG-CD1 3.74Å; V82-L106 HydrophobicContact CG2-CB 4.17Å; V82-L106 HydrophobicContact CG2-CD1 4.03Å; S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 3.33Å; L103-L106 PolarHBondContact O-N 2.84Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.4Å; L106-T110 HydrophobicContact CD1-CG2 4.21Å; L106-T110 HydrophobicContact CG-CG2 4.45Å; L106-T110 WeakPolarHBondContact O-CG2 3.39Å; L106-T110 PolarHBondContact O-N 2.88Å; L106-T110 PolarHBondContact O-OG1 3.12Å
107	N	82.5	Confident	71.5	Confident	42 Å²	42	56.1 Å²	56.1	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-54	-49	175.2	-174.9	-2.9	0	0	0	111.6	W10 L103 V109 T110 A111	W10-N107 HydrophobicContact CD2-CB 3.81Å; W10-N107 HydrophobicContact CE3-CB 3.99Å; W10-N107 HydrophobicContact CG-CB 4.43Å; W10-N107 HydrophobicContact CH2-CB 3.93Å; W10-N107 HydrophobicContact CZ2-CB 3.76Å; W10-N107 HydrophobicContact CZ3-CB 4.04Å; W10-N107 PolarHBondContact NE1-OD1 3.11Å; L103-N107 WeakPolarHBondContact O-CB 3.32Å; L103-N107 PolarHBondContact O-N 3.36Å; N107-V109 PolarHBondContact O-N 3.06Å; N107-T110 WeakPolarHBondContact CA-OG1 3.24Å; N107-T110 PolarHBondContact O-N 2.77Å; N107-T110 PolarHBondContact O-OG1 3.35Å; N107-A111 PolarHBondContact O-N 3.24Å
108	K	81.7	Confident	69.2	Low	141 Å²	141	59.6 Å²	59.6	61%	0.613	36%	0.361	S	S	*	.	H	α-helix	trans	-59.3	-46.7	176.5	-73.5	174.7	-179.8	178.9	0	112.9	V104 A105 L106 T110 A111 D112	V104-K108 WeakPolarHBondContact O-CG 3.24Å; V104-K108 PolarHBondContact O-N 3.49Å; V104-K108 VanDerWaalsContact O-N 3.13Å; A105-K108 PolarHBondContact O-N 2.92Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 2.88Å; K108-T110 VanDerWaalsContact C-N 3.3Å; K108-T110 PolarHBondContact O-N 3.48Å; K108-A111 PolarHBondContact O-N 3.31Å; K108-D112 PolarHBondContact O-N 2.87Å
109	V	78.8	Confident	67	Low	53 Å²	53	58.8 Å²	58.8	32%	0.321	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-36.4	178.2	172.4	0	0	0	0	111.5	F80 V82 A105 L106 N107 I113	F80-V109 HydrophobicContact CB-CG1 4.33Å; F80-V109 HydrophobicContact CD1-CG1 4.29Å; V82-V109 HydrophobicContact CG2-CG2 4.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.45Å; A105-V109 PolarHBondContact O-N 3.18Å; L106-V109 PolarHBondContact O-N 3.4Å; N107-V109 PolarHBondContact O-N 3.06Å; V109-I113 HydrophobicContact CG1-CD1 4.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å
110	T	74.3	Confident	64.5	Low	2 Å²	2	65.2 Å²	65.2	1%	0.012	41%	0.408	C	S	.	.	H	α-helix	trans	-78.5	-26.2	-179.4	54	0	0	0	0	113.8	L48 F80 L106 N107 K108 I113 V115	L48-T110 HydrophobicContact CD1-CG2 3.95Å; L48-T110 HydrophobicContact CD2-CG2 3.66Å; L48-T110 HydrophobicContact CG-CG2 4.24Å; F80-T110 HydrophobicContact CD1-CG2 4.16Å; F80-T110 HydrophobicContact CE1-CG2 3.98Å; L106-T110 HydrophobicContact CD1-CG2 4.21Å; L106-T110 HydrophobicContact CG-CG2 4.45Å; L106-T110 WeakPolarHBondContact O-CG2 3.39Å; L106-T110 PolarHBondContact O-N 2.88Å; L106-T110 PolarHBondContact O-OG1 3.12Å; N107-T110 WeakPolarHBondContact CA-OG1 3.24Å; N107-T110 PolarHBondContact O-N 2.77Å; N107-T110 PolarHBondContact O-OG1 3.35Å; K108-T110 VanDerWaalsContact C-N 3.3Å; K108-T110 PolarHBondContact O-N 3.48Å; T110-I113 PolarHBondContact O-N 3.26Å; T110-V115 PolarHBondContact O-N 3.11Å
111	A	68	Low	62	Low	50 Å²	50	71.3 Å²	71.3	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-41.4	171	0	0	0	0	0	111.6	N107 K108 I113 G114	N107-A111 PolarHBondContact O-N 3.24Å; K108-A111 PolarHBondContact O-N 3.31Å; A111-I113 PolarHBondContact O-N 3Å; A111-G114 PolarHBondContact O-N 2.81Å; A111-G114 VanDerWaalsContact O-N 3.1Å
112	D	55.5	Low	59.3	Low	155 Å²	155	72 Å²	72	83%	0.829	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.4	175.6	-76.1	-19.8	0	0	0	113.5	K108 G114	K108-D112 PolarHBondContact O-N 2.87Å; D112-G114 VanDerWaalsContact C-N 3.33Å
113	I	56.1	Low	56.6	Low	105 Å²	105	83.1 Å²	83.1	54%	0.538	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.1	176.8	-63.5	167.7	0	0	0	111.4	F80 V109 T110 A111 V115	F80-I113 HydrophobicContact CD1-CD1 4.18Å; F80-I113 HydrophobicContact CE1-CD1 4.13Å; V109-I113 HydrophobicContact CG1-CD1 4.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å; T110-I113 PolarHBondContact O-N 3.26Å; A111-I113 PolarHBondContact O-N 3Å; I113-V115 HydrophobicContact CG2-CG2 4.44Å
114	G	50	Low	53.8	Low	55 Å²	55	91.9 Å²	91.9	57%	0.567	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	6.5	179.3	0	0	0	0	0	114.6	A111 D112 G116	A111-G114 PolarHBondContact O-N 2.81Å; A111-G114 VanDerWaalsContact O-N 3.1Å; D112-G114 VanDerWaalsContact C-N 3.33Å; G114-G116 PolarHBondContact O-N 3.07Å
115	V	54.4	Low	50.9	Low	58 Å²	58	96 Å²	96	35%	0.352	57%	0.569	S	S	.	*			trans	-91.1	61	171.9	-169.4	0	0	0	0	108.6	L48 T110 I113	L48-V115 HydrophobicContact CD2-CG1 4.25Å; T110-V115 PolarHBondContact O-N 3.11Å; I113-V115 HydrophobicContact CG2-CG2 4.44Å
116	G	35	Very low	48.2	Very low	41 Å²	41	99.6 Å²	99.6	42%	0.423	59%	0.593	S	S	.	*	S	Bend	trans	-163.9	104.1	-173.3	0	0	0	0	0	114.2	G114 D118	G114-G116 PolarHBondContact O-N 3.07Å; G116-D118 PolarHBondContact O-N 3.12Å
117	S	38.4	Very low	45.5	Very low	116 Å²	116	103.6 Å²	103.6	81%	0.811	63%	0.626	S	S	*	*	S	Bend	trans	80.5	-20.2	157.7	-149.1	0	0	0	0	122.2
118	D	31.2	Very low	42.9	Very low	161 Å²	161	110.6 Å²	110.6	86%	0.861	66%	0.657	S	S	*	*	S	Bend	trans	-114.5	-1.2	-175.5	-82.7	-19	0	0	0	116.5	G116	G116-D118 PolarHBondContact O-N 3.12Å
119	S	32.8	Very low	40.3	Very low	91 Å²	91	115.5 Å²	115.5	64%	0.636	67%	0.671	S	S	*	*	S	Bend	trans	-104.8	-0.1	-169.9	59.7	0	0	0	0	116.9
120	V	30.5	Very low	37.8	Very low	135 Å²	135	120.6 Å²	120.6	82%	0.818	70%	0.695	S	S	*	*	S	Bend	trans	-111.6	44.8	-176.2	-161.3	0	0	0	0	112.6
121	C	30.9	Very low	35.4	Very low	136 Å²	136	129.9 Å²	129.9	92%	0.919	74%	0.736	S	S	*	*	S	Bend	trans	-147.1	46.6	163.7	-96.4	0	0	0	0	112.3
122	A	25.3	Very low	33.3	Very low	86 Å²	86	133.2 Å²	133.2	71%	0.711	76%	0.756	S	S	*	*			trans	-138.9	77.7	172.1	0	0	0	0	0	111.4
123	R	27.8	Very low	31.7	Very low	251 Å²	251	133.9 Å²	133.9	95%	0.947	75%	0.752	S	S	*	*			trans	-76.8	128.2	158.8	-81.7	-171.9	-178.6	167.2	2.6	108.6	S125	R123-S125 PolarHBondContact O-N 3.07Å
124	H	25	Very low	30.2	Very low	186 Å²	186	136 Å²	136	86%	0.861	76%	0.759	S	S	*	*			trans	-60.2	118.1	174.4	-69.9	-100.9	0	0	0	110.7
125	S	24.8	Very low	29.1	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	76%	0.764	S	S	*	*			trans	-91	107.5	154.9	-176.6	0	0	0	0	107.8	R123 A127	R123-S125 PolarHBondContact O-N 3.07Å; S125-A127 PolarHBondContact O-N 3.06Å; S125-A127 VanDerWaalsContact O-N 3.12Å
126	S	25	Very low	27.7	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	79%	0.787	S	S	*	*			trans	-83.2	77.4	178.8	50.9	0	0	0	0	111
127	A	28.2	Very low	27.3	Very low	85 Å²	85	146 Å²	146	70%	0.702	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.8	120.5	167.3	0	0	0	0	0	110.6	S125 R129	S125-A127 PolarHBondContact O-N 3.06Å; S125-A127 VanDerWaalsContact O-N 3.12Å; A127-R129 PolarHBondContact O-N 2.88Å
128	H	27.3	Very low	26.7	Very low	190 Å²	190	145.7 Å²	145.7	88%	0.88	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.8	126.7	176.7	-75.8	-82	0	0	0	111.6
129	R	26.7	Very low	26.4	Very low	243 Å²	243	147.3 Å²	147.3	92%	0.917	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.5	123.1	178.3	-158.9	-167.3	-70.4	-176	-3	110.9	A127	A127-R129 PolarHBondContact O-N 2.88Å
130	I	26	Very low	26.1	Very low	161 Å²	161	147.5 Å²	147.5	83%	0.826	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.2	152.1	165.1	-63.4	177	0	0	0	109.3
131	K	24.6	Very low	25.8	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.7	134.8	-161.6	-60.5	171.4	179	173.1	0	115.4
132	S	24	Very low	25.5	Very low	119 Å²	119	147.9 Å²	147.9	83%	0.832	81%	0.806	S	S	*	*			trans	165.2	151.9	141.3	52.3	0	0	0	0	108.8
133	F	21.9	Very low	25.5	Very low	170 Å²	170	147.5 Å²	147.5	75%	0.746	81%	0.81	S	S	*	*			cis	174.6	152.2	-19.5	174.3	-116.8	0	0	0	104.1
134	E	25.4	Very low	25.4	Very low	150 Å²	150	147.4 Å²	147.4	70%	0.701	81%	0.809	S	S	*	*			trans	61.5	156.7	176.7	-79.6	169.8	164.9	0	0	118.7
135	S	25.9	Very low	25.3	Very low	94 Å²	94	143.9 Å²	143.9	66%	0.657	81%	0.805	S	S	*	*			cis	-166	141.3	-34.4	-110	0	0	0	0	111.9
136	L	24.8	Very low	25.2	Very low	161 Å²	161	142.5 Å²	142.5	84%	0.843	80%	0.796	S	S	*	*			trans	57	143.3	144.8	-67.9	164.6	0	0	0	124.2
137	S	26	Very low	25.2	Very low	107 Å²	107	146.3 Å²	146.3	75%	0.748	80%	0.798	S	S	*	*			trans	96.8	109.4	156.1	76.5	0	0	0	0	117.4
138	S	25.9	Very low	24.9	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	80%	0.802	S	S	*	*				96.5	92.2	69.2	-68.5	0	0	0	0	110.7
139	Q	25.2	Very low	24.7	Very low	195 Å²	195	147.6 Å²	147.6	91%	0.911	80%	0.798	S	S	*	*				79.6	144.6	88.8	-103.2	-162	-26	0	0	116.9
140	A	26.3	Very low	24.5	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	79%	0.79	S	S	*	*			trans	78.9	152.6	168	0	0	0	0	0	118.8
141	S	24.5	Very low	24.3	Very low	101 Å²	101	142 Å²	142	71%	0.706	78%	0.783	S	S	*	*				-175.2	128.8	-51.4	47.7	0	0	0	0	111.9
142	L	26	Very low	24.3	Very low	179 Å²	179	142.2 Å²	142.2	94%	0.937	79%	0.787	S	S	*	*			trans	48.1	121.6	143	-69.5	164.9	0	0	0	123.1
143	G	24.5	Very low	24.3	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	79%	0.79	S	S	*	*				105.1	154.6	130	0	0	0	0	0	117.9
144	R	25.3	Very low	24.3	Very low	250 Å²	250	149.2 Å²	149.2	94%	0.943	80%	0.796	S	S	*	*			cis	-170.4	168.4	-8.2	-157.2	179.6	-172.6	-178.4	3.5	108.9
145	S	23.5	Very low	24.3	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	80%	0.799	S	S	*	*			trans	93	153.5	162.7	-160	0	0	0	0	117.8
146	S	23.3	Very low	24.2	Very low	85 Å²	85	150.4 Å²	150.4	59%	0.594	81%	0.808	S	S	*	*				-172.5	156.6	-58.9	58.2	0	0	0	0	110.8
147	K	24	Very low	24.2	Very low	192 Å²	192	148.9 Å²	148.9	84%	0.835	80%	0.801	S	S	*	*			trans	70	149.9	164.8	-63.3	175.1	-173.2	-179.1	0	116.4
148	L	22.3	Very low	24.3	Very low	150 Å²	150	152.1 Å²	152.1	79%	0.785	81%	0.806	S	S	*	*			cis	-167.4	166.8	-16.7	-165.6	75.3	0	0	0	108.3
149	L	23.3	Very low	24.5	Very low	152 Å²	152	151.7 Å²	151.7	80%	0.796	80%	0.803	S	S	*	*			trans	91.1	96.4	160.7	-61.4	168.1	0	0	0	121.6
150	Q	22.1	Very low	24.5	Very low	159 Å²	159	151.5 Å²	151.5	74%	0.743	80%	0.802	S	S	*	*				45.2	120.4	113.4	-147.4	81	50.9	0	0	122.8
151	N	21.9	Very low	24.5	Very low	129 Å²	129	154.6 Å²	154.6	69%	0.69	81%	0.805	S	S	*	*			trans	50.8	120	148.3	-65.5	8.7	0	0	0	121.8
152	Q	23.2	Very low	25	Very low	201 Å²	201	155.5 Å²	155.5	94%	0.939	81%	0.812	S	S	*	*				-168.4	170.6	109.3	-105.4	171.4	68.5	0	0	114
153	F	24.3	Very low	25.3	Very low	205 Å²	205	150.2 Å²	150.2	90%	0.899	80%	0.801	S	S	*	*			trans	-88.4	165.2	-165.8	-104.8	-100.9	0	0	0	115.4
154	R	21.9	Very low	26.4	Very low	230 Å²	230	156.1 Å²	156.1	87%	0.868	81%	0.808	S	S	*	*			trans	79.5	105.8	161.9	-78.2	-174.7	171.3	-177.2	-2.3	119.6
155	S	25.7	Very low	28	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	79%	0.792	S	S	*	*				53.3	111	117.3	-174.1	0	0	0	0	119.2
156	L	25.1	Very low	30.8	Very low	163 Å²	163	147 Å²	147	85%	0.853	77%	0.765	S	S	*	*				-165.5	149.9	122.4	-102.3	159.2	0	0	0	110.3
157	D	24.6	Very low	33.9	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	76%	0.756	S	S	*	*			trans	-62.7	154	-179	-63.1	-72.2	0	0	0	113.6
158	M	27	Very low	37.1	Very low	175 Å²	175	137.5 Å²	137.5	86%	0.862	72%	0.716	S	S	*	*				-157.7	135.7	113.8	-94.3	-47.1	124.8	0	0	112.2
159	S	30.4	Very low	40.4	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	70%	0.699	S	S	*	*			trans	-56.1	143.3	174.7	-49.2	0	0	0	0	114.2
160	E	26.3	Very low	43.6	Very low	190 Å²	190	128.1 Å²	128.1	89%	0.888	66%	0.663	S	S	*	*				161.4	112.2	106.6	-84.9	-164.2	138.4	0	0	111.1
161	N	24.7	Very low	46.6	Very low	160 Å²	160	125.6 Å²	125.6	86%	0.856	65%	0.646	S	S	*	*			trans	-152.9	139.8	136.3	-159.1	13	0	0	0	110.5	G163	N161-G163 PolarHBondContact O-N 2.98Å
162	S	35.8	Very low	49.4	Very low	120 Å²	120	124.8 Å²	124.8	84%	0.839	64%	0.637	S	S	*	*			trans	-82.4	79.9	-168.3	39.2	0	0	0	0	113.1
163	G	32.6	Very low	52.4	Low	69 Å²	69	120.6 Å²	120.6	71%	0.711	62%	0.621	S	S	*	*			trans	-89	122.9	165.7	0	0	0	0	0	111.8	N161 Q165	N161-G163 PolarHBondContact O-N 2.98Å; G163-Q165 PolarHBondContact O-N 3.41Å; G163-Q165 VanDerWaalsContact O-N 3.07Å
164	Q	47.3	Very low	55.4	Low	200 Å²	200	112 Å²	112	94%	0.935	58%	0.583	S	S	*	*			trans	-62.9	109.7	165.7	-74.3	177.9	-16.2	0	0	108.7	L166	Q164-L166 PolarHBondContact O-N 3.16Å
165	Q	59.1	Low	58.5	Low	134 Å²	134	108.5 Å²	108.5	63%	0.626	58%	0.577	S	S	*	*			trans	-69.5	108.2	179.8	-148.2	177	15.3	0	0	108.9	G163 L167 S191	G163-Q165 PolarHBondContact O-N 3.41Å; G163-Q165 VanDerWaalsContact O-N 3.07Å; Q165-L167 PolarHBondContact O-N 3.47Å; Q165-L167 VanDerWaalsContact O-N 3.11Å; Q165-S191 VanDerWaalsContact CG-OG 3.31Å; Q165-S191 WeakPolarHBondContact CG-OG 3.17Å; Q165-S191 PolarHBondContact NE2-OG 2.86Å; Q165-S191 VanDerWaalsContact NE2-OG 3.1Å
166	L	82	Confident	61.3	Low	37 Å²	37	107.1 Å²	107.1	19%	0.194	56%	0.559	C	S	.	*			trans	-70.9	110.8	-174.1	179.3	71.8	0	0	0	109.6	Q164 V168 V192 W201 E219	Q164-L166 PolarHBondContact O-N 3.16Å; L166-V168 HydrophobicContact CD2-CG1 4.06Å; L166-V168 HydrophobicContact CG-CG1 4.02Å; L166-V192 HydrophobicContact CB-CB 4.17Å; L166-V192 HydrophobicContact CB-CG2 4.48Å; L166-V192 HydrophobicContact CD2-CB 4.4Å; L166-V192 HydrophobicContact CD2-CG2 4.15Å; L166-V192 HydrophobicContact CG-CG2 4.32Å; L166-V192 WeakPolarHBondContact O-CB 3.44Å; L166-V192 WeakPolarHBondContact O-CG2 3.48Å; L166-V192 PolarHBondContact O-N 3.41Å; L166-W201 HydrophobicContact CD2-CZ3 4.34Å; L166-E219 HydrophobicContact CD1-CB 4.25Å; L166-E219 HydrophobicContact CD1-CG 3.99Å; L166-E219 HydrophobicContact CD2-CG 4.26Å
167	L	89	Confident	63.7	Low	77 Å²	77	105 Å²	105	40%	0.403	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.6	132.2	173.6	-70.1	160.8	0	0	0	109.7	Q165 I189 V220	Q165-L167 PolarHBondContact O-N 3.47Å; Q165-L167 VanDerWaalsContact O-N 3.11Å; L167-I189 HydrophobicContact CB-CG2 4.3Å; L167-I189 HydrophobicContact CD2-CG2 3.82Å; L167-V220 HydrophobicContact CB-CB 4.42Å; L167-V220 PolarHBondContact O-N 3.45Å
168	V	90.3	Very high	66.3	Low	0 Å²	0	102.9 Å²	102.9	0%	0	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	179.2	-57.4	0	0	0	0	110.4	L166 I189 I190 V192 W201 F212 V217 R218 E219	L166-V168 HydrophobicContact CD2-CG1 4.06Å; L166-V168 HydrophobicContact CG-CG1 4.02Å; V168-I189 CarbonylContact O-C 3.58Å; V168-I189 WeakPolarHBondContact O-CA 3.43Å; V168-I190 HydrophobicContact CG2-CB 3.85Å; V168-I190 PolarHBondContact N-O 3.34Å; V168-I190 PolarHBondContact O-N 3.22Å; V168-V192 HydrophobicContact CB-CG2 4.25Å; V168-V192 HydrophobicContact CG1-CG2 3.49Å; V168-V192 VanDerWaalsContact CG1-CG2 3.49Å; V168-V192 HydrophobicContact CG2-CG2 3.71Å; V168-W201 HydrophobicContact CG1-CE3 4.32Å; V168-W201 HydrophobicContact CG1-CZ3 3.87Å; V168-F212 HydrophobicContact CG2-CE2 4.16Å; V168-F212 HydrophobicContact CG2-CZ 3.95Å; V168-V217 HydrophobicContact CB-CB 3.92Å; V168-V217 HydrophobicContact CB-CG2 3.87Å; V168-V217 HydrophobicContact CG1-CG2 4.3Å; V168-V217 HydrophobicContact CG2-CB 3.88Å; V168-V217 HydrophobicContact CG2-CG1 4Å; V168-V217 HydrophobicContact CG2-CG2 3.86Å; V168-R218 CarbonylContact C-O 3.52Å; V168-R218 WeakPolarHBondContact CA-O 3.27Å; V168-E219 HydrophobicContact CG1-CG 4.48Å
169	K	91.6	Very high	68.7	Low	101 Å²	101	103.7 Å²	103.7	44%	0.439	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	179.3	-176.2	164.8	-170.9	158	0	111.3	R171 G187 D188 I189 V217 R218 V220	K169-R171 PolarHBondContact O-N 2.73Å; K169-G187 VanDerWaalsContact CE-O 3.24Å; K169-G187 WeakPolarHBondContact CE-O 3.46Å; K169-D188 CarbonylContact C-O 3.39Å; K169-D188 WeakPolarHBondContact CA-O 3.44Å; K169-I189 HydrophobicContact CB-CD1 3.7Å; K169-I189 HydrophobicContact CD-CD1 3.8Å; K169-I189 HydrophobicContact CG-CD1 3.73Å; K169-V217 CarbonylContact O-C 3.56Å; K169-V217 VanDerWaalsContact O-CA 3.28Å; K169-V217 WeakPolarHBondContact O-CA 3.41Å; K169-R218 PolarHBondContact N-O 3.29Å; K169-R218 PolarHBondContact O-N 2.95Å; K169-V220 HydrophobicContact CB-CG2 3.7Å
170	A	90.6	Very high	71.3	Confident	3 Å²	3	103.4 Å²	103.4	3%	0.025	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	122.7	175.6	0	0	0	0	0	112.3	F184 T185 G187 D188	A170-F184 HydrophobicContact CB-CD2 3.36Å; A170-F184 HydrophobicContact CB-CE2 3.54Å; A170-F184 HydrophobicContact CB-CG 4.45Å; A170-T185 WeakPolarHBondContact CB-O 3.38Å; A170-G187 PolarHBondContact O-N 2.85Å; A170-D188 HydrophobicContact CB-CB 4.46Å; A170-D188 PolarHBondContact N-O 2.7Å
171	R	86.3	Confident	74.2	Confident	107 Å²	107	95.3 Å²	95.3	40%	0.404	50%	0.496	S	S	.	.	S	Bend	trans	-85.4	-29.5	172.6	-67.1	-170.8	-176.1	-146.8	6.4	112.7	K169 K186 Y216 V217 R218	K169-R171 PolarHBondContact O-N 2.73Å; R171-K186 WeakPolarHBondContact O-CD 3.4Å; R171-K186 VanDerWaalsContact O-CE 3.25Å; R171-K186 WeakPolarHBondContact O-CE 3.34Å; R171-K186 VanDerWaalsContact O-CG 3.26Å; R171-K186 WeakPolarHBondContact O-CG 3.29Å; R171-Y216 PolarHBondContact N-O 3.43Å; R171-V217 PolarHBondContact NE-O 2.82Å; R171-R218 HydrophobicContact CG-CB 4.24Å
172	F	80.1	Confident	77.3	Confident	112 Å²	112	88 Å²	88	49%	0.491	46%	0.456	S	S	.	.	S	Bend	trans	-134.8	165.6	-176.6	-55.6	-73	0	0	0	109.5	F184 Y216	F172-F184 WeakPolarHBondContact O-CE2 3.33Å; F172-Y216 HydrophobicContact CB-CD1 3.71Å; F172-Y216 HydrophobicContact CB-CE1 4.04Å; F172-Y216 HydrophobicContact CB-CG 4.41Å; F172-Y216 HydrophobicContact CD2-CG 4.5Å
173	N	86.5	Confident	79.8	Confident	112 Å²	112	85.1 Å²	85.1	60%	0.599	43%	0.434	S	S	*	.			trans	-77.8	139.8	171.5	-52.5	-16	0	0	0	108.2	K186 Y216	N173-K186 WeakPolarHBondContact OD1-CB 3.46Å; N173-K186 PolarHBondContact OD1-N 3.05Å; N173-Y216 WeakPolarHBondContact O-CE1 3.17Å
174	F	87.6	Confident	82.6	Confident	25 Å²	25	82.1 Å²	82.1	11%	0.11	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-131.8	126.8	172.7	-176.4	-109.1	0	0	0	108.5	E181 L182 T183 F184 W200 F212 P213 Y216	F174-E181 HydrophobicContact CE1-CB 4.27Å; F174-L182 VanDerWaalsContact CD1-O 3.31Å; F174-L182 WeakPolarHBondContact CD1-O 3.44Å; F174-T183 WeakPolarHBondContact O-CA 3.46Å; F174-F184 HydrophobicContact CB-CD1 4.15Å; F174-F184 HydrophobicContact CB-CD2 4.19Å; F174-F184 HydrophobicContact CB-CE1 3.62Å; F174-F184 HydrophobicContact CB-CE2 3.68Å; F174-F184 HydrophobicContact CB-CG 4.42Å; F174-F184 HydrophobicContact CB-CZ 3.38Å; F174-F184 HydrophobicContact CD1-CD1 4.34Å; F174-F184 AromaticContact CD1-CE1 3.73Å; F174-F184 HydrophobicContact CD1-CE1 3.73Å; F174-F184 HydrophobicContact CD1-CZ 4.22Å; F174-F184 HydrophobicContact CG-CE1 4.04Å; F174-F184 HydrophobicContact CG-CZ 4.07Å; F174-F184 PolarHBondContact N-O 3.16Å; F174-F184 PolarHBondContact O-N 3.37Å; F174-W200 HydrophobicContact CE1-CZ3 4.45Å; F174-W200 HydrophobicContact CE2-CH2 4.48Å; F174-W200 AromaticContact CZ-CH2 3.93Å; F174-W200 HydrophobicContact CZ-CH2 3.93Å; F174-W200 AromaticContact CZ-CZ3 3.9Å; F174-W200 HydrophobicContact CZ-CZ3 3.9Å; F174-F212 HydrophobicContact CD1-CB 4.2Å; F174-F212 HydrophobicContact CE1-CB 4.26Å; F174-P213 HydrophobicContact CD2-CG 3.98Å; F174-P213 HydrophobicContact CE2-CG 3.81Å; F174-P213 HydrophobicContact CZ-CG 4.27Å; F174-Y216 HydrophobicContact CB-CD1 3.96Å; F174-Y216 HydrophobicContact CD2-CD1 4.15Å; F174-Y216 HydrophobicContact CD2-CE1 4.17Å; F174-Y216 HydrophobicContact CG-CD1 4.45Å
175	Q	86.7	Confident	84.6	Confident	156 Å²	156	76.4 Å²	76.4	73%	0.729	38%	0.38	S	S	*	.			trans	-115.2	127.2	-178.8	-177	172.2	-4.9	0	0	107.7	T177	Q175-T177 PolarHBondContact O-N 2.85Å
176	Q	84.9	Confident	86	Confident	79 Å²	79	76.8 Å²	76.8	37%	0.369	38%	0.38	S	S	.	.			trans	-59.1	132.2	-177.9	72.3	-168.3	86.3	0	0	111.1	N178 E181 T183	Q176-N178 PolarHBondContact NE2-O 3.5Å; Q176-E181 HydrophobicContact CB-CB 3.72Å; Q176-E181 VanDerWaalsContact CB-O 3.31Å; Q176-E181 WeakPolarHBondContact CB-O 3.15Å; Q176-T183 VanDerWaalsContact CB-OG1 3.31Å; Q176-T183 WeakPolarHBondContact CB-OG1 3.34Å; Q176-T183 WeakPolarHBondContact CG-OG1 3.33Å; Q176-T183 PolarHBondContact N-OG1 3.37Å; Q176-T183 PolarHBondContact OE1-OG1 3.48Å
177	T	73.9	Confident	86.1	Confident	118 Å²	118	76.4 Å²	76.4	72%	0.724	39%	0.385	S	S	*	.	S	Bend	trans	-96.9	-34.6	170.4	-53.2	0	0	0	0	110.3	Q175 E181	Q175-T177 PolarHBondContact O-N 2.85Å; T177-E181 PolarHBondContact N-OE2 2.79Å
178	N	79.5	Confident	86	Confident	85 Å²	85	74.9 Å²	74.9	46%	0.455	38%	0.377	S	S	.	.	S	Bend	trans	-110.8	167.8	177.1	-58.3	-64.3	0	0	0	111.8	Q176 D180 E181	Q176-N178 PolarHBondContact NE2-O 3.5Å; N178-D180 VanDerWaalsContact C-N 3.33Å; N178-D180 WeakPolarHBondContact CB-OD1 3.35Å; N178-E181 HydrophobicContact CB-CG 4.22Å; N178-E181 PolarHBondContact N-OE2 3.45Å; N178-E181 PolarHBondContact ND2-OE1 2.98Å; N178-E181 PolarHBondContact O-N 3.19Å
179	E	78.1	Confident	86.1	Confident	192 Å²	192	78.7 Å²	78.7	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.8	-176.8	-64.7	-170	160.8	0	0	113.4
180	D	83.6	Confident	86.1	Confident	94 Å²	94	73.9 Å²	73.9	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.7	176.1	59.7	-44.9	0	0	0	113.5	N178 G210 W211	N178-D180 VanDerWaalsContact C-N 3.33Å; N178-D180 WeakPolarHBondContact CB-OD1 3.35Å; D180-G210 CarbonylContact O-C 3.53Å; D180-G210 WeakPolarHBondContact O-CA 3.39Å; D180-W211 PolarHBondContact O-N 3.08Å
181	E	89.1	Confident	86.1	Confident	21 Å²	21	74.6 Å²	74.6	10%	0.098	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-92.3	144	179.8	-74.4	173.5	-161.4	0	0	113.4	F174 Q176 T177 N178 W200 W211	F174-E181 HydrophobicContact CE1-CB 4.27Å; Q176-E181 HydrophobicContact CB-CB 3.72Å; Q176-E181 VanDerWaalsContact CB-O 3.31Å; Q176-E181 WeakPolarHBondContact CB-O 3.15Å; T177-E181 PolarHBondContact N-OE2 2.79Å; N178-E181 HydrophobicContact CB-CG 4.22Å; N178-E181 PolarHBondContact N-OE2 3.45Å; N178-E181 PolarHBondContact ND2-OE1 2.98Å; N178-E181 PolarHBondContact O-N 3.19Å; E181-W200 HydrophobicContact CG-CZ3 4.09Å; E181-W211 CarbonylContact C-O 3.58Å; E181-W211 VanDerWaalsContact CA-O 3.3Å; E181-W211 WeakPolarHBondContact CA-O 3.24Å
182	L	87.9	Confident	86.3	Confident	6 Å²	6	70 Å²	70	3%	0.031	36%	0.364	C	S	.	.			trans	-93.9	110.3	-176.8	-174.1	70.6	0	0	0	112.3	F174 F184 I190 L205 K208 W211 F212	F174-L182 VanDerWaalsContact CD1-O 3.31Å; F174-L182 WeakPolarHBondContact CD1-O 3.44Å; L182-F184 HydrophobicContact CD2-CD1 4.48Å; L182-F184 HydrophobicContact CG-CD1 4.45Å; L182-F184 WeakPolarHBondContact O-CD1 3.46Å; L182-I190 HydrophobicContact CD2-CD1 4.25Å; L182-I190 HydrophobicContact CD2-CG2 3.68Å; L182-L205 HydrophobicContact CD1-CB 4.24Å; L182-L205 HydrophobicContact CD2-CB 3.95Å; L182-L205 HydrophobicContact CG-CB 4.41Å; L182-K208 HydrophobicContact CD1-CB 4.02Å; L182-K208 WeakPolarHBondContact CD1-O 3.2Å; L182-W211 PolarHBondContact N-O 3.37Å; L182-F212 HydrophobicContact CB-CD1 4.38Å; L182-F212 HydrophobicContact CD2-CD1 3.92Å; L182-F212 HydrophobicContact CD2-CE1 4.25Å
183	T	89.1	Confident	86.6	Confident	60 Å²	60	67.8 Å²	67.8	37%	0.368	36%	0.36	S	S	.	.			trans	-71.5	130.2	171.4	-62.7	0	0	0	0	112.3	F174 Q176	F174-T183 WeakPolarHBondContact O-CA 3.46Å; Q176-T183 VanDerWaalsContact CB-OG1 3.31Å; Q176-T183 WeakPolarHBondContact CB-OG1 3.34Å; Q176-T183 WeakPolarHBondContact CG-OG1 3.33Å; Q176-T183 PolarHBondContact N-OG1 3.37Å; Q176-T183 PolarHBondContact OE1-OG1 3.48Å
184	F	90.8	Very high	86.3	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.022	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-151.4	163.1	174	60	-96.8	0	0	0	113.8	A170 F172 F174 L182 D188 I190 L205 F212 V217	A170-F184 HydrophobicContact CB-CD2 3.36Å; A170-F184 HydrophobicContact CB-CE2 3.54Å; A170-F184 HydrophobicContact CB-CG 4.45Å; F172-F184 WeakPolarHBondContact O-CE2 3.33Å; F174-F184 HydrophobicContact CB-CD1 4.15Å; F174-F184 HydrophobicContact CB-CD2 4.19Å; F174-F184 HydrophobicContact CB-CE1 3.62Å; F174-F184 HydrophobicContact CB-CE2 3.68Å; F174-F184 HydrophobicContact CB-CG 4.42Å; F174-F184 HydrophobicContact CB-CZ 3.38Å; F174-F184 HydrophobicContact CD1-CD1 4.34Å; F174-F184 AromaticContact CD1-CE1 3.73Å; F174-F184 HydrophobicContact CD1-CE1 3.73Å; F174-F184 HydrophobicContact CD1-CZ 4.22Å; F174-F184 HydrophobicContact CG-CE1 4.04Å; F174-F184 HydrophobicContact CG-CZ 4.07Å; F174-F184 PolarHBondContact N-O 3.16Å; F174-F184 PolarHBondContact O-N 3.37Å; L182-F184 HydrophobicContact CD2-CD1 4.48Å; L182-F184 HydrophobicContact CG-CD1 4.45Å; L182-F184 WeakPolarHBondContact O-CD1 3.46Å; F184-D188 HydrophobicContact CB-CB 4.34Å; F184-I190 HydrophobicContact CB-CD1 4.29Å; F184-I190 HydrophobicContact CD1-CD1 3.49Å; F184-I190 VanDerWaalsContact CD1-CD1 3.49Å; F184-I190 HydrophobicContact CD2-CD1 4.13Å; F184-I190 HydrophobicContact CE1-CD1 3.71Å; F184-I190 HydrophobicContact CE2-CD1 4.31Å; F184-I190 HydrophobicContact CG-CD1 3.71Å; F184-I190 HydrophobicContact CZ-CD1 4.1Å; F184-L205 HydrophobicContact CB-CD2 3.4Å; F184-F212 HydrophobicContact CE1-CB 3.5Å; F184-F212 HydrophobicContact CE1-CD2 4.27Å; F184-F212 AromaticContact CE1-CG 3.88Å; F184-F212 HydrophobicContact CE1-CG 3.88Å; F184-F212 HydrophobicContact CZ-CB 4.18Å; F184-F212 HydrophobicContact CZ-CD2 4.44Å; F184-F212 HydrophobicContact CZ-CG 4.47Å; F184-V217 HydrophobicContact CE2-CG1 4.41Å; F184-V217 HydrophobicContact CZ-CG1 4.16Å
185	T	89.6	Confident	86.2	Confident	81 Å²	81	72.8 Å²	72.8	50%	0.497	37%	0.374	S	S	.	.			trans	-109.5	155.2	-179.9	66.8	0	0	0	0	112.2	A170 G187 D188	A170-T185 WeakPolarHBondContact CB-O 3.38Å; T185-G187 PolarHBondContact O-N 2.78Å; T185-D188 WeakPolarHBondContact CA-OD2 3.26Å; T185-D188 PolarHBondContact N-OD2 3.14Å; T185-D188 WeakPolarHBondContact O-CB 3.32Å; T185-D188 PolarHBondContact O-N 3.22Å; T185-D188 VanDerWaalsContact O-N 3.09Å; T185-D188 PolarHBondContact OG1-OD2 2.91Å
186	K	88.6	Confident	85.7	Confident	142 Å²	142	69.1 Å²	69.1	62%	0.617	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	114.8	177.4	174.1	175.3	-175.5	176.7	0	111	R171 N173	R171-K186 WeakPolarHBondContact O-CD 3.4Å; R171-K186 VanDerWaalsContact O-CE 3.25Å; R171-K186 WeakPolarHBondContact O-CE 3.34Å; R171-K186 VanDerWaalsContact O-CG 3.26Å; R171-K186 WeakPolarHBondContact O-CG 3.29Å; N173-K186 WeakPolarHBondContact OD1-CB 3.46Å; N173-K186 PolarHBondContact OD1-N 3.05Å
187	G	83.5	Confident	84.5	Confident	29 Å²	29	75.4 Å²	75.4	30%	0.299	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.1	-18.6	-179.3	0	0	0	0	0	114.2	K169 A170 T185	K169-G187 VanDerWaalsContact CE-O 3.24Å; K169-G187 WeakPolarHBondContact CE-O 3.46Å; A170-G187 PolarHBondContact O-N 2.85Å; T185-G187 PolarHBondContact O-N 2.78Å
188	D	88.8	Confident	84.2	Confident	45 Å²	45	73 Å²	73	24%	0.241	39%	0.386	C	S	.	.			trans	-62.8	147	178.9	-70	-30.3	0	0	0	112	K169 A170 F184 T185 L205	K169-D188 CarbonylContact C-O 3.39Å; K169-D188 WeakPolarHBondContact CA-O 3.44Å; A170-D188 HydrophobicContact CB-CB 4.46Å; A170-D188 PolarHBondContact N-O 2.7Å; F184-D188 HydrophobicContact CB-CB 4.34Å; T185-D188 WeakPolarHBondContact CA-OD2 3.26Å; T185-D188 PolarHBondContact N-OD2 3.14Å; T185-D188 WeakPolarHBondContact O-CB 3.32Å; T185-D188 PolarHBondContact O-N 3.22Å; T185-D188 VanDerWaalsContact O-N 3.09Å; T185-D188 PolarHBondContact OG1-OD2 2.91Å; D188-L205 HydrophobicContact CB-CD1 4.08Å; D188-L205 HydrophobicContact CB-CD2 3.92Å
189	I	90.4	Very high	84.2	Confident	79 Å²	79	70.1 Å²	70.1	41%	0.405	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	177.4	-53.6	-60.8	0	0	0	108.4	L167 V168 K169 L205 V220	L167-I189 HydrophobicContact CB-CG2 4.3Å; L167-I189 HydrophobicContact CD2-CG2 3.82Å; V168-I189 CarbonylContact O-C 3.58Å; V168-I189 WeakPolarHBondContact O-CA 3.43Å; K169-I189 HydrophobicContact CB-CD1 3.7Å; K169-I189 HydrophobicContact CD-CD1 3.8Å; K169-I189 HydrophobicContact CG-CD1 3.73Å; I189-L205 VanDerWaalsContact O-CD1 3.28Å; I189-L205 WeakPolarHBondContact O-CD1 3.33Å; I189-V220 HydrophobicContact CD1-CG2 4.42Å
190	I	92	Very high	84.7	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.6	-177.8	-48	170.3	0	0	0	108	V168 L182 F184 L205 F212 V217	V168-I190 HydrophobicContact CG2-CB 3.85Å; V168-I190 PolarHBondContact N-O 3.34Å; V168-I190 PolarHBondContact O-N 3.22Å; L182-I190 HydrophobicContact CD2-CD1 4.25Å; L182-I190 HydrophobicContact CD2-CG2 3.68Å; F184-I190 HydrophobicContact CB-CD1 4.29Å; F184-I190 HydrophobicContact CD1-CD1 3.49Å; F184-I190 VanDerWaalsContact CD1-CD1 3.49Å; F184-I190 HydrophobicContact CD2-CD1 4.13Å; F184-I190 HydrophobicContact CE1-CD1 3.71Å; F184-I190 HydrophobicContact CE2-CD1 4.31Å; F184-I190 HydrophobicContact CG-CD1 3.71Å; F184-I190 HydrophobicContact CZ-CD1 4.1Å; I190-L205 HydrophobicContact CG1-CB 4.36Å; I190-L205 HydrophobicContact CG1-CD2 4.48Å; I190-F212 HydrophobicContact CB-CE1 4.49Å; I190-F212 HydrophobicContact CB-CZ 4.43Å; I190-F212 HydrophobicContact CD1-CD1 4.44Å; I190-F212 HydrophobicContact CD1-CE1 4.28Å; I190-F212 HydrophobicContact CD1-CE2 4.46Å; I190-F212 HydrophobicContact CD1-CZ 4.29Å; I190-F212 HydrophobicContact CG2-CD1 4.43Å; I190-F212 HydrophobicContact CG2-CE1 3.6Å; I190-F212 HydrophobicContact CG2-CZ 3.95Å; I190-V217 HydrophobicContact CD1-CG1 4.11Å
191	S	91	Very high	85.1	Confident	18 Å²	18	63.1 Å²	63.1	13%	0.126	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.6	173.7	-169.7	0	0	0	0	109.2	Q165 T193 G203 I204	Q165-S191 VanDerWaalsContact CG-OG 3.31Å; Q165-S191 WeakPolarHBondContact CG-OG 3.17Å; Q165-S191 PolarHBondContact NE2-OG 2.86Å; Q165-S191 VanDerWaalsContact NE2-OG 3.1Å; S191-T193 PolarHBondContact O-N 3.1Å; S191-G203 CarbonylContact O-C 3.29Å; S191-G203 WeakPolarHBondContact O-CA 3.38Å; S191-I204 PolarHBondContact N-O 3.01Å; S191-I204 PolarHBondContact O-N 2.93Å
192	V	90.8	Very high	85.1	Confident	10 Å²	10	64.7 Å²	64.7	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.4	-177.4	-177.7	0	0	0	0	109.8	L166 V168 Q195 W201 E202 F212	L166-V192 HydrophobicContact CB-CB 4.17Å; L166-V192 HydrophobicContact CB-CG2 4.48Å; L166-V192 HydrophobicContact CD2-CB 4.4Å; L166-V192 HydrophobicContact CD2-CG2 4.15Å; L166-V192 HydrophobicContact CG-CG2 4.32Å; L166-V192 WeakPolarHBondContact O-CB 3.44Å; L166-V192 WeakPolarHBondContact O-CG2 3.48Å; L166-V192 PolarHBondContact O-N 3.41Å; V168-V192 HydrophobicContact CB-CG2 4.25Å; V168-V192 HydrophobicContact CG1-CG2 3.49Å; V168-V192 VanDerWaalsContact CG1-CG2 3.49Å; V168-V192 HydrophobicContact CG2-CG2 3.71Å; V192-Q195 HydrophobicContact CG1-CG 3.78Å; V192-W201 HydrophobicContact CG1-CB 4.4Å; V192-W201 HydrophobicContact CG2-CE3 4.17Å; V192-E202 WeakPolarHBondContact CA-O 3.47Å; V192-E202 WeakPolarHBondContact CG1-O 3.31Å; V192-F212 HydrophobicContact CG2-CZ 4.2Å
193	T	85.8	Confident	85.3	Confident	66 Å²	66	64.4 Å²	64.4	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-35.5	175.4	44.5	0	0	0	0	112.1	S191 E202 I204	S191-T193 PolarHBondContact O-N 3.1Å; T193-E202 WeakPolarHBondContact CB-OE2 3.49Å; T193-E202 PolarHBondContact N-O 3.42Å; T193-E202 WeakPolarHBondContact OG1-CG 3.45Å; T193-E202 PolarHBondContact OG1-O 3.33Å; T193-E202 PolarHBondContact OG1-OE2 3.39Å; T193-I204 HydrophobicContact CG2-CD1 3.68Å; T193-I204 HydrophobicContact CG2-CG1 3.82Å
194	R	81.4	Confident	85.4	Confident	132 Å²	132	64.6 Å²	64.6	50%	0.498	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.5	-179	-176.8	175.7	169.8	164.9	-4.2	111	E196 W201 E202 W211	R194-E196 HydrophobicContact CG-CG 4.47Å; R194-E196 IonicContact CZ-OE1 3.01Å; R194-E196 IonicContact NE-OE1 2.68Å; R194-E196 PolarHBondContact NE-OE1 2.94Å; R194-E196 IonicContact NH2-OE1 3.09Å; R194-E196 PolarHBondContact NH2-OE1 3.34Å; R194-W201 CarbonylContact O-C 3.56Å; R194-W201 WeakPolarHBondContact O-CA 3.49Å; R194-E202 HydrophobicContact CB-CB 3.88Å; R194-E202 PolarHBondContact N-O 3.27Å; R194-E202 PolarHBondContact O-N 3.3Å; R194-W211 HydrophobicContact CG-CH2 4.25Å
195	Q	85.1	Confident	85.2	Confident	111 Å²	111	65 Å²	65	52%	0.519	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	171.8	-62.7	171.8	29.6	0	0	108.5	V192 W201	V192-Q195 HydrophobicContact CG1-CG 3.78Å; Q195-W201 HydrophobicContact CG-CD2 4.23Å; Q195-W201 HydrophobicContact CG-CG 4.3Å
196	E	76.5	Confident	84.8	Confident	78 Å²	78	68.3 Å²	68.3	36%	0.364	36%	0.355	S	S	.	.			trans	-115.6	145.5	167.6	-60.2	-163.9	155.6	0	0	110.9	R194 G198 G199 W200 W211	R194-E196 HydrophobicContact CG-CG 4.47Å; R194-E196 IonicContact CZ-OE1 3.01Å; R194-E196 IonicContact NE-OE1 2.68Å; R194-E196 PolarHBondContact NE-OE1 2.94Å; R194-E196 IonicContact NH2-OE1 3.09Å; R194-E196 PolarHBondContact NH2-OE1 3.34Å; E196-G198 PolarHBondContact O-N 3.31Å; E196-G198 VanDerWaalsContact O-N 3.16Å; E196-G199 PolarHBondContact O-N 3.48Å; E196-W200 PolarHBondContact N-O 3.38Å; E196-W211 HydrophobicContact CG-CH2 3.95Å; E196-W211 HydrophobicContact CG-CZ3 3.94Å
197	E	59.2	Low	84.3	Confident	212 Å²	212	65 Å²	65	99%	0.991	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17	-179.9	-63.1	-172.9	149.5	0	0	112.7	G199	E197-G199 PolarHBondContact O-N 3.07Å
198	G	66.9	Low	84.2	Confident	68 Å²	68	70.5 Å²	70.5	70%	0.701	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	2.3	174.2	0	0	0	0	0	115.5	E196 W200	E196-G198 PolarHBondContact O-N 3.31Å; E196-G198 VanDerWaalsContact O-N 3.16Å; G198-W200 PolarHBondContact O-N 3.41Å
199	G	79.9	Confident	84.2	Confident	24 Å²	24	72.2 Å²	72.2	25%	0.247	39%	0.389	C	S	.	.	S	Bend	trans	82.5	7.2	175.4	0	0	0	0	0	115.3	E196 E197 P213 S214	E196-G199 PolarHBondContact O-N 3.48Å; E197-G199 PolarHBondContact O-N 3.07Å; G199-P213 WeakPolarHBondContact O-CA 3.28Å; G199-S214 PolarHBondContact O-N 3.01Å; G199-S214 PolarHBondContact O-OG 2.89Å
200	W	88.5	Confident	84.2	Confident	103 Å²	103	68.6 Å²	68.6	39%	0.39	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.6	167.7	-73.5	82.8	0	0	0	109.6	F174 E181 E196 G198 W211 F212 P213	F174-W200 HydrophobicContact CE1-CZ3 4.45Å; F174-W200 HydrophobicContact CE2-CH2 4.48Å; F174-W200 AromaticContact CZ-CH2 3.93Å; F174-W200 HydrophobicContact CZ-CH2 3.93Å; F174-W200 AromaticContact CZ-CZ3 3.9Å; F174-W200 HydrophobicContact CZ-CZ3 3.9Å; E181-W200 HydrophobicContact CG-CZ3 4.09Å; E196-W200 PolarHBondContact N-O 3.38Å; G198-W200 PolarHBondContact O-N 3.41Å; W200-W211 HydrophobicContact CB-CE3 4.17Å; W200-W211 HydrophobicContact CE3-CB 4.13Å; W200-F212 VanDerWaalsContact CE3-C 3.47Å; W200-P213 HydrophobicContact CD2-CB 4.38Å; W200-P213 HydrophobicContact CE3-CB 4.45Å; W200-P213 HydrophobicContact CZ2-CB 4.47Å
201	W	91.4	Very high	84.2	Confident	36 Å²	36	70.9 Å²	70.9	14%	0.136	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142	179.7	-67	-7.4	0	0	0	109.2	L166 V168 V192 R194 Q195 W211 F212 S214 V217	L166-W201 HydrophobicContact CD2-CZ3 4.34Å; V168-W201 HydrophobicContact CG1-CE3 4.32Å; V168-W201 HydrophobicContact CG1-CZ3 3.87Å; V192-W201 HydrophobicContact CG1-CB 4.4Å; V192-W201 HydrophobicContact CG2-CE3 4.17Å; R194-W201 CarbonylContact O-C 3.56Å; R194-W201 WeakPolarHBondContact O-CA 3.49Å; Q195-W201 HydrophobicContact CG-CD2 4.23Å; Q195-W201 HydrophobicContact CG-CG 4.3Å; W201-W211 CarbonylContact O-C 3.6Å; W201-W211 WeakPolarHBondContact O-CA 3.25Å; W201-F212 HydrophobicContact CB-CE2 4.01Å; W201-F212 HydrophobicContact CB-CZ 4.01Å; W201-F212 HydrophobicContact CE3-CE2 4.3Å; W201-F212 PolarHBondContact N-O 3.4Å; W201-F212 WeakPolarHBondContact O-CD1 3.23Å; W201-F212 PolarHBondContact O-N 3.25Å; W201-S214 VanDerWaalsContact CD2-CB 3.4Å; W201-V217 HydrophobicContact CE3-CG2 4.03Å; W201-V217 HydrophobicContact CZ3-CG2 3.94Å
202	E	90.3	Very high	84.1	Confident	54 Å²	54	70 Å²	70	25%	0.252	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.1	170.3	-165.5	-163.5	-121.4	0	0	108.6	V192 T193 R194 T209 W211	V192-E202 WeakPolarHBondContact CA-O 3.47Å; V192-E202 WeakPolarHBondContact CG1-O 3.31Å; T193-E202 WeakPolarHBondContact CB-OE2 3.49Å; T193-E202 PolarHBondContact N-O 3.42Å; T193-E202 WeakPolarHBondContact OG1-CG 3.45Å; T193-E202 PolarHBondContact OG1-O 3.33Å; T193-E202 PolarHBondContact OG1-OE2 3.39Å; R194-E202 HydrophobicContact CB-CB 3.88Å; R194-E202 PolarHBondContact N-O 3.27Å; R194-E202 PolarHBondContact O-N 3.3Å; E202-T209 HydrophobicContact CG-CG2 3.83Å; E202-W211 HydrophobicContact CB-CD2 4.04Å; E202-W211 HydrophobicContact CB-CE3 3.98Å; E202-W211 HydrophobicContact CB-CH2 4.2Å; E202-W211 HydrophobicContact CB-CZ2 4.21Å; E202-W211 HydrophobicContact CB-CZ3 4.07Å; E202-W211 HydrophobicContact CG-CD2 4.44Å
203	G	91.8	Very high	84.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	178.4	170.9	0	0	0	0	0	113.8	S191 T209 G210	S191-G203 CarbonylContact O-C 3.29Å; S191-G203 WeakPolarHBondContact O-CA 3.38Å; G203-T209 WeakPolarHBondContact O-CA 3.25Å; G203-G210 PolarHBondContact N-O 3.25Å; G203-G210 PolarHBondContact O-N 3.26Å
204	I	90.9	Very high	84.2	Confident	63 Å²	63	68.6 Å²	68.6	32%	0.323	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126	-171.8	-55.6	175.9	0	0	0	109.5	S191 T193 K208 T209	S191-I204 PolarHBondContact N-O 3.01Å; S191-I204 PolarHBondContact O-N 2.93Å; T193-I204 HydrophobicContact CG2-CD1 3.68Å; T193-I204 HydrophobicContact CG2-CG1 3.82Å; I204-K208 VanDerWaalsContact CA-O 3.3Å; I204-K208 WeakPolarHBondContact CA-O 3.38Å; I204-T209 HydrophobicContact CG1-CG2 4.12Å
205	L	87.4	Confident	84.5	Confident	15 Å²	15	67.5 Å²	67.5	8%	0.079	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.7	169.3	179.7	66.8	0	0	0	109.2	L182 F184 D188 I189 I190 G207 K208	L182-L205 HydrophobicContact CD1-CB 4.24Å; L182-L205 HydrophobicContact CD2-CB 3.95Å; L182-L205 HydrophobicContact CG-CB 4.41Å; F184-L205 HydrophobicContact CB-CD2 3.4Å; D188-L205 HydrophobicContact CB-CD1 4.08Å; D188-L205 HydrophobicContact CB-CD2 3.92Å; I189-L205 VanDerWaalsContact O-CD1 3.28Å; I189-L205 WeakPolarHBondContact O-CD1 3.33Å; I190-L205 HydrophobicContact CG1-CB 4.36Å; I190-L205 HydrophobicContact CG1-CD2 4.48Å; L205-G207 PolarHBondContact O-N 3.4Å; L205-G207 VanDerWaalsContact O-N 3.09Å; L205-K208 PolarHBondContact N-O 3.02Å; L205-K208 PolarHBondContact O-N 3.45Å
206	N	81.3	Confident	84.5	Confident	149 Å²	149	66.3 Å²	66.3	80%	0.797	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	34.6	177.7	-60.7	-32.4	0	0	0	114.4	K208	N206-K208 VanDerWaalsContact C-N 3.3Å; N206-K208 PolarHBondContact O-N 3.42Å
207	G	78	Confident	85.1	Confident	72 Å²	72	62.9 Å²	62.9	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	3.4	-179.4	0	0	0	0	0	115.5	L205	L205-G207 PolarHBondContact O-N 3.4Å; L205-G207 VanDerWaalsContact O-N 3.09Å
208	K	81.6	Confident	86.5	Confident	145 Å²	145	59.9 Å²	59.9	63%	0.63	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.7	168.5	-63.8	-174	178.2	-173.6	0	109.8	L182 I204 L205 N206	L182-K208 HydrophobicContact CD1-CB 4.02Å; L182-K208 WeakPolarHBondContact CD1-O 3.2Å; I204-K208 VanDerWaalsContact CA-O 3.3Å; I204-K208 WeakPolarHBondContact CA-O 3.38Å; L205-K208 PolarHBondContact N-O 3.02Å; L205-K208 PolarHBondContact O-N 3.45Å; N206-K208 VanDerWaalsContact C-N 3.3Å; N206-K208 PolarHBondContact O-N 3.42Å
209	T	88.6	Confident	87.5	Confident	81 Å²	81	60.8 Å²	60.8	50%	0.497	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.2	171.2	-46.9	0	0	0	0	109.1	E202 G203 I204	E202-T209 HydrophobicContact CG-CG2 3.83Å; G203-T209 WeakPolarHBondContact O-CA 3.25Å; I204-T209 HydrophobicContact CG1-CG2 4.12Å
210	G	90.8	Very high	87.6	Confident	4 Å²	4	62.8 Å²	62.8	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	172.3	170.4	0	0	0	0	0	112.8	D180 G203	D180-G210 CarbonylContact O-C 3.53Å; D180-G210 WeakPolarHBondContact O-CA 3.39Å; G203-G210 PolarHBondContact N-O 3.25Å; G203-G210 PolarHBondContact O-N 3.26Å
211	W	90.6	Very high	86.7	Confident	48 Å²	48	66.2 Å²	66.2	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.2	179.5	-66.3	95.4	0	0	0	112.2	D180 E181 L182 R194 E196 W200 W201 E202	D180-W211 PolarHBondContact O-N 3.08Å; E181-W211 CarbonylContact C-O 3.58Å; E181-W211 VanDerWaalsContact CA-O 3.3Å; E181-W211 WeakPolarHBondContact CA-O 3.24Å; L182-W211 PolarHBondContact N-O 3.37Å; R194-W211 HydrophobicContact CG-CH2 4.25Å; E196-W211 HydrophobicContact CG-CH2 3.95Å; E196-W211 HydrophobicContact CG-CZ3 3.94Å; W200-W211 HydrophobicContact CB-CE3 4.17Å; W200-W211 HydrophobicContact CE3-CB 4.13Å; W201-W211 CarbonylContact O-C 3.6Å; W201-W211 WeakPolarHBondContact O-CA 3.25Å; E202-W211 HydrophobicContact CB-CD2 4.04Å; E202-W211 HydrophobicContact CB-CE3 3.98Å; E202-W211 HydrophobicContact CB-CH2 4.2Å; E202-W211 HydrophobicContact CB-CZ2 4.21Å; E202-W211 HydrophobicContact CB-CZ3 4.07Å; E202-W211 HydrophobicContact CG-CD2 4.44Å
212	F	89.8	Confident	84.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.6	173.6	60.9	-91.5	0	0	0	112.1	V168 F174 L182 F184 I190 V192 W200 W201 V217	V168-F212 HydrophobicContact CG2-CE2 4.16Å; V168-F212 HydrophobicContact CG2-CZ 3.95Å; F174-F212 HydrophobicContact CD1-CB 4.2Å; F174-F212 HydrophobicContact CE1-CB 4.26Å; L182-F212 HydrophobicContact CB-CD1 4.38Å; L182-F212 HydrophobicContact CD2-CD1 3.92Å; L182-F212 HydrophobicContact CD2-CE1 4.25Å; F184-F212 HydrophobicContact CE1-CB 3.5Å; F184-F212 HydrophobicContact CE1-CD2 4.27Å; F184-F212 AromaticContact CE1-CG 3.88Å; F184-F212 HydrophobicContact CE1-CG 3.88Å; F184-F212 HydrophobicContact CZ-CB 4.18Å; F184-F212 HydrophobicContact CZ-CD2 4.44Å; F184-F212 HydrophobicContact CZ-CG 4.47Å; I190-F212 HydrophobicContact CB-CE1 4.49Å; I190-F212 HydrophobicContact CB-CZ 4.43Å; I190-F212 HydrophobicContact CD1-CD1 4.44Å; I190-F212 HydrophobicContact CD1-CE1 4.28Å; I190-F212 HydrophobicContact CD1-CE2 4.46Å; I190-F212 HydrophobicContact CD1-CZ 4.29Å; I190-F212 HydrophobicContact CG2-CD1 4.43Å; I190-F212 HydrophobicContact CG2-CE1 3.6Å; I190-F212 HydrophobicContact CG2-CZ 3.95Å; V192-F212 HydrophobicContact CG2-CZ 4.2Å; W200-F212 VanDerWaalsContact CE3-C 3.47Å; W201-F212 HydrophobicContact CB-CE2 4.01Å; W201-F212 HydrophobicContact CB-CZ 4.01Å; W201-F212 HydrophobicContact CE3-CE2 4.3Å; W201-F212 PolarHBondContact N-O 3.4Å; W201-F212 WeakPolarHBondContact O-CD1 3.23Å; W201-F212 PolarHBondContact O-N 3.25Å; F212-V217 HydrophobicContact CD2-CG1 3.87Å; F212-V217 HydrophobicContact CD2-CG2 4.49Å; F212-V217 HydrophobicContact CE2-CB 4.37Å; F212-V217 HydrophobicContact CE2-CG1 3.63Å; F212-V217 HydrophobicContact CE2-CG2 3.82Å
213	P	89.8	Confident	81.8	Confident	12 Å²	12	71.4 Å²	71.4	8%	0.078	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.7	-177.9	33.6	-37.1	0	0	0	110.8	F174 G199 W200 N215 Y216	F174-P213 HydrophobicContact CD2-CG 3.98Å; F174-P213 HydrophobicContact CE2-CG 3.81Å; F174-P213 HydrophobicContact CZ-CG 4.27Å; G199-P213 WeakPolarHBondContact O-CA 3.28Å; W200-P213 HydrophobicContact CD2-CB 4.38Å; W200-P213 HydrophobicContact CE3-CB 4.45Å; W200-P213 HydrophobicContact CZ2-CB 4.47Å; P213-N215 VanDerWaalsContact C-N 3.27Å; P213-N215 WeakPolarHBondContact CB-OD1 3.4Å; P213-N215 PolarHBondContact O-N 3.01Å; P213-Y216 HydrophobicContact CB-CD2 4.35Å; P213-Y216 HydrophobicContact CG-CD2 3.66Å; P213-Y216 HydrophobicContact CG-CE2 4.2Å; P213-Y216 HydrophobicContact CG-CG 3.98Å; P213-Y216 WeakPolarHBondContact O-CB 3.43Å; P213-Y216 PolarHBondContact O-N 2.78Å
214	S	87.6	Confident	78.9	Confident	33 Å²	33	78.3 Å²	78.3	23%	0.231	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-65.8	-26.7	-169.9	68.4	0	0	0	0	113.7	G199 W201 Y216 V217	G199-S214 PolarHBondContact O-N 3.01Å; G199-S214 PolarHBondContact O-OG 2.89Å; W201-S214 VanDerWaalsContact CD2-CB 3.4Å; S214-Y216 PolarHBondContact O-N 2.78Å; S214-V217 WeakPolarHBondContact O-CG2 3.34Å; S214-V217 PolarHBondContact O-N 3.33Å
215	N	89	Confident	76	Confident	110 Å²	110	84.9 Å²	84.9	59%	0.588	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15	173.5	63.1	-23.1	0	0	0	113.7	P213 V217	P213-N215 VanDerWaalsContact C-N 3.27Å; P213-N215 WeakPolarHBondContact CB-OD1 3.4Å; P213-N215 PolarHBondContact O-N 3.01Å; N215-V217 VanDerWaalsContact C-N 3.32Å
216	Y	84.8	Confident	73.1	Confident	85 Å²	85	93 Å²	93	33%	0.333	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-83.3	-7.4	174.6	-82.1	-124.2	0	0	0	113.1	R171 F172 N173 F174 P213 S214	R171-Y216 PolarHBondContact N-O 3.43Å; F172-Y216 HydrophobicContact CB-CD1 3.71Å; F172-Y216 HydrophobicContact CB-CE1 4.04Å; F172-Y216 HydrophobicContact CB-CG 4.41Å; F172-Y216 HydrophobicContact CD2-CG 4.5Å; N173-Y216 WeakPolarHBondContact O-CE1 3.17Å; F174-Y216 HydrophobicContact CB-CD1 3.96Å; F174-Y216 HydrophobicContact CD2-CD1 4.15Å; F174-Y216 HydrophobicContact CD2-CE1 4.17Å; F174-Y216 HydrophobicContact CG-CD1 4.45Å; P213-Y216 HydrophobicContact CB-CD2 4.35Å; P213-Y216 HydrophobicContact CG-CD2 3.66Å; P213-Y216 HydrophobicContact CG-CE2 4.2Å; P213-Y216 HydrophobicContact CG-CG 3.98Å; P213-Y216 WeakPolarHBondContact O-CB 3.43Å; P213-Y216 PolarHBondContact O-N 2.78Å; S214-Y216 PolarHBondContact O-N 2.78Å
217	V	88.4	Confident	70.5	Confident	6 Å²	6	92.9 Å²	92.9	4%	0.036	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	-179.9	-177.7	-57.9	0	0	0	0	113	V168 K169 R171 F184 I190 W201 F212 S214 N215	V168-V217 HydrophobicContact CB-CB 3.92Å; V168-V217 HydrophobicContact CB-CG2 3.87Å; V168-V217 HydrophobicContact CG1-CG2 4.3Å; V168-V217 HydrophobicContact CG2-CB 3.88Å; V168-V217 HydrophobicContact CG2-CG1 4Å; V168-V217 HydrophobicContact CG2-CG2 3.86Å; K169-V217 CarbonylContact O-C 3.56Å; K169-V217 VanDerWaalsContact O-CA 3.28Å; K169-V217 WeakPolarHBondContact O-CA 3.41Å; R171-V217 PolarHBondContact NE-O 2.82Å; F184-V217 HydrophobicContact CE2-CG1 4.41Å; F184-V217 HydrophobicContact CZ-CG1 4.16Å; I190-V217 HydrophobicContact CD1-CG1 4.11Å; W201-V217 HydrophobicContact CE3-CG2 4.03Å; W201-V217 HydrophobicContact CZ3-CG2 3.94Å; F212-V217 HydrophobicContact CD2-CG1 3.87Å; F212-V217 HydrophobicContact CD2-CG2 4.49Å; F212-V217 HydrophobicContact CE2-CB 4.37Å; F212-V217 HydrophobicContact CE2-CG1 3.63Å; F212-V217 HydrophobicContact CE2-CG2 3.82Å; S214-V217 WeakPolarHBondContact O-CG2 3.34Å; S214-V217 PolarHBondContact O-N 3.33Å; N215-V217 VanDerWaalsContact C-N 3.32Å
218	R	88.3	Confident	68.1	Low	150 Å²	150	94.5 Å²	94.5	57%	0.566	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.6	130.7	171.8	-172.9	-168	-67.1	-146.4	-2.8	108.8	V168 K169 R171 V220	V168-R218 CarbonylContact C-O 3.52Å; V168-R218 WeakPolarHBondContact CA-O 3.27Å; K169-R218 PolarHBondContact N-O 3.29Å; K169-R218 PolarHBondContact O-N 2.95Å; R171-R218 HydrophobicContact CG-CB 4.24Å; R218-V220 PolarHBondContact O-N 3.26Å
219	E	87.9	Confident	66.1	Low	87 Å²	87	93 Å²	93	41%	0.407	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	137.3	173	-59.1	-177.2	174.9	0	0	112.6	L166 V168	L166-E219 HydrophobicContact CD1-CB 4.25Å; L166-E219 HydrophobicContact CD1-CG 3.99Å; L166-E219 HydrophobicContact CD2-CG 4.26Å; V168-E219 HydrophobicContact CG1-CG 4.48Å
220	V	82.4	Confident	63.1	Low	65 Å²	65	99.4 Å²	99.4	39%	0.394	53%	0.528	S	S	.	.			trans	-108	92.9	173.2	-176.4	0	0	0	0	107.5	L167 K169 I189 R218 G222	L167-V220 HydrophobicContact CB-CB 4.42Å; L167-V220 PolarHBondContact O-N 3.45Å; K169-V220 HydrophobicContact CB-CG2 3.7Å; I189-V220 HydrophobicContact CD1-CG2 4.42Å; R218-V220 PolarHBondContact O-N 3.26Å; V220-G222 PolarHBondContact O-N 3.24Å
221	K	70.4	Confident	60	Low	175 Å²	175	105.1 Å²	105.1	76%	0.761	57%	0.568	S	S	*	*			trans	-70.2	117.5	174.3	-64.1	-170.9	177.9	-173.9	0	109.1	S223	K221-S223 PolarHBondContact O-N 2.86Å; K221-S223 VanDerWaalsContact O-N 3.13Å
222	G	47.2	Very low	57	Low	82 Å²	82	106 Å²	106	85%	0.845	59%	0.593	S	S	*	*			trans	-66.6	107.6	-178.9	0	0	0	0	0	112	V220	V220-G222 PolarHBondContact O-N 3.24Å
223	S	31.4	Very low	54.1	Low	117 Å²	117	113.1 Å²	113.1	82%	0.818	64%	0.636	S	S	*	*			trans	-93	98.8	166.3	60.6	0	0	0	0	109.3	K221 K225	K221-S223 PolarHBondContact O-N 2.86Å; K221-S223 VanDerWaalsContact O-N 3.13Å; S223-K225 PolarHBondContact O-N 3.18Å
224	D	31.6	Very low	51.7	Low	146 Å²	146	120.8 Å²	120.8	78%	0.781	68%	0.675	S	S	*	*			trans	-81.7	109.1	-177.1	-171.2	12.7	0	0	0	111.7
225	K	29.5	Very low	49.1	Very low	201 Å²	201	129 Å²	129	87%	0.874	71%	0.707	S	S	*	*			trans	-155.4	113.7	153.2	-73.7	-153.1	177.7	-176.2	0	111.2	S223	S223-K225 PolarHBondContact O-N 3.18Å
226	Q	26.9	Very low	46.3	Very low	185 Å²	185	129 Å²	129	86%	0.864	72%	0.716	S	S	*	*			trans	-68.3	131.9	164.4	-65	178.7	-24.3	0	0	111.6
227	V	26.6	Very low	43.8	Very low	147 Å²	147	130.3 Å²	130.3	89%	0.891	73%	0.734	S	S	*	*			trans	-151.2	136.2	140.3	-170.2	0	0	0	0	109
228	S	26.1	Very low	41.5	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	77%	0.774	S	S	*	*			trans	-135.6	171	168.2	64.5	0	0	0	0	109.6
229	P	40.2	Very low	39.3	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	79%	0.791	S	S	*	*				-130.8	143.2	-54.6	35.2	-22.2	0	0	0	112.1
230	K	26.2	Very low	37	Very low	216 Å²	216	138.4 Å²	138.4	94%	0.939	81%	0.805	S	S	*	*			trans	-142.2	145.5	161.7	-76.4	-164.8	177.4	175.9	0	113.3
231	S	26.5	Very low	34.8	Very low	124 Å²	124	145 Å²	145	87%	0.867	83%	0.828	S	S	*	*			trans	-50.5	134.5	-163	-49.5	0	0	0	0	119.5
232	G	26.4	Very low	33.6	Very low	68 Å²	68	140 Å²	140	70%	0.701	81%	0.81	S	S	*	*				73.3	102.8	113.5	0	0	0	0	0	120.5
233	T	29.1	Very low	33.8	Very low	149 Å²	149	141.6 Å²	141.6	91%	0.914	80%	0.804	S	S	*	*				-170.7	150	119.8	14.6	0	0	0	0	111.1	K235	T233-K235 PolarHBondContact O-N 2.89Å
234	L	39.9	Very low	34.8	Very low	172 Å²	172	138 Å²	138	90%	0.901	78%	0.778	S	S	*	*			trans	-72.3	118.3	179	-66.2	102.3	0	0	0	111.8
235	K	32.6	Very low	36	Very low	206 Å²	206	134.4 Å²	134.4	90%	0.896	76%	0.762	S	S	*	*			trans	-141.5	144.2	141.7	-68.8	-163.1	178.3	179.8	0	109.8	T233	T233-K235 PolarHBondContact O-N 2.89Å
236	S	29.8	Very low	37.4	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-61.6	142.5	-169	48.7	0	0	0	0	115
237	P	33.2	Very low	39	Very low	112 Å²	112	122.7 Å²	122.7	73%	0.727	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.4	140.2	163.8	-12.2	27.6	0	0	0	111	K239	P237-K239 PolarHBondContact O-N 2.83Å
238	P	38.6	Very low	40.8	Very low	133 Å²	133	119 Å²	119	86%	0.864	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-68.6	122.3	174.2	28.1	-33	0	0	0	110.6
239	K	42	Very low	42.8	Very low	212 Å²	212	117.8 Å²	117.8	92%	0.922	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-92.6	125.1	164.4	-69.9	-177.9	-179.4	176.6	0	108.3	P237	P237-K239 PolarHBondContact O-N 2.83Å
240	G	41.4	Very low	44.4	Very low	68 Å²	68	118.4 Å²	118.4	70%	0.701	67%	0.665	S	S	*	*			trans	155.9	73.5	174.5	0	0	0	0	0	113.6
241	F	35.3	Very low	46.8	Very low	203 Å²	203	109 Å²	109	89%	0.89	62%	0.624	S	S	*	*	S	Bend	trans	-134.2	79.2	154.6	-127	-89.9	0	0	0	108
242	D	45.6	Very low	49.1	Very low	71 Å²	71	105.8 Å²	105.8	38%	0.38	60%	0.597	S	S	.	*			trans	56.2	63.6	146.5	-59	-32.3	0	0	0	120.9	V245	D242-V245 HydrophobicContact CB-CB 3.83Å; D242-V245 HydrophobicContact CB-CG2 3.64Å; D242-V245 VanDerWaalsContact CG-CG2 3.41Å
243	T	50.1	Low	51.7	Low	116 Å²	116	106.9 Å²	106.9	71%	0.712	59%	0.586	S	S	*	*	H	α-helix	trans	-61.3	-36.2	144.6	-50.8	0	0	0	0	110.9	I246 S247	T243-I246 PolarHBondContact O-N 3.27Å; T243-S247 PolarHBondContact O-N 3.33Å; T243-S247 VanDerWaalsContact O-N 3.11Å
244	S	53.1	Low	54.1	Low	40 Å²	40	100.9 Å²	100.9	28%	0.28	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-41	-174.8	94.8	0	0	0	0	113.2	I246 S247 K248	S244-I246 VanDerWaalsContact C-N 3.31Å; S244-I246 PolarHBondContact O-N 2.99Å; S244-S247 PolarHBondContact O-N 3.03Å; S244-K248 WeakPolarHBondContact O-CB 3.31Å; S244-K248 WeakPolarHBondContact O-CD 3.5Å; S244-K248 WeakPolarHBondContact O-CG 3.26Å; S244-K248 PolarHBondContact O-N 2.64Å; S244-K248 PolarHBondContact OG-NZ 2.91Å
245	V	56.8	Low	56	Low	72 Å²	72	92.9 Å²	92.9	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-35.8	178.7	-177.2	0	0	0	0	110.9	D242 K248 T249	D242-V245 HydrophobicContact CB-CB 3.83Å; D242-V245 HydrophobicContact CB-CG2 3.64Å; D242-V245 VanDerWaalsContact CG-CG2 3.41Å; V245-K248 PolarHBondContact O-N 3.24Å; V245-T249 PolarHBondContact O-N 2.96Å; V245-T249 PolarHBondContact O-OG1 2.9Å
246	I	58.6	Low	58.3	Low	101 Å²	101	87.8 Å²	87.8	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-49.8	175.4	-63.4	172.8	0	0	0	110.3	T243 S244 K248 T249 Y250	T243-I246 PolarHBondContact O-N 3.27Å; S244-I246 VanDerWaalsContact C-N 3.31Å; S244-I246 PolarHBondContact O-N 2.99Å; I246-K248 VanDerWaalsContact C-N 3.31Å; I246-K248 PolarHBondContact O-N 3.22Å; I246-T249 PolarHBondContact O-N 3.29Å; I246-Y250 HydrophobicContact CG2-CD2 3.84Å; I246-Y250 HydrophobicContact CG2-CE2 3.72Å; I246-Y250 VanDerWaalsContact O-CD2 3.23Å; I246-Y250 WeakPolarHBondContact O-CD2 3.35Å; I246-Y250 PolarHBondContact O-N 3.14Å
247	S	61.3	Low	61	Low	39 Å²	39	86.1 Å²	86.1	27%	0.273	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-37.7	175.5	-68.1	0	0	0	0	112.8	T243 S244 Y250 Y251	T243-S247 PolarHBondContact O-N 3.33Å; T243-S247 VanDerWaalsContact O-N 3.11Å; S244-S247 PolarHBondContact O-N 3.03Å; S247-Y250 PolarHBondContact O-N 3.22Å; S247-Y251 WeakPolarHBondContact O-CB 3.31Å; S247-Y251 PolarHBondContact O-N 3.17Å
248	K	64.4	Low	63.5	Low	69 Å²	69	81 Å²	81	30%	0.3	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-41	175.7	-75.3	162.2	-178	148	0	112.9	S244 V245 I246 Y250 Y251 N252 E404	S244-K248 WeakPolarHBondContact O-CB 3.31Å; S244-K248 WeakPolarHBondContact O-CD 3.5Å; S244-K248 WeakPolarHBondContact O-CG 3.26Å; S244-K248 PolarHBondContact O-N 2.64Å; S244-K248 PolarHBondContact OG-NZ 2.91Å; V245-K248 PolarHBondContact O-N 3.24Å; I246-K248 VanDerWaalsContact C-N 3.31Å; I246-K248 PolarHBondContact O-N 3.22Å; K248-Y250 VanDerWaalsContact C-N 3.35Å; K248-Y251 PolarHBondContact O-N 3.16Å; K248-N252 PolarHBondContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.36Å; K248-E404 WeakPolarHBondContact CE-OE1 3.39Å; K248-E404 IonicContact NZ-OE1 2.76Å; K248-E404 PolarHBondContact NZ-OE1 3.41Å
249	T	68.3	Low	65.7	Low	79 Å²	79	75.9 Å²	75.9	49%	0.485	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-40.9	173.4	-56.7	0	0	0	0	111.1	V245 I246 L253	V245-T249 PolarHBondContact O-N 2.96Å; V245-T249 PolarHBondContact O-OG1 2.9Å; I246-T249 PolarHBondContact O-N 3.29Å; T249-L253 HydrophobicContact CG2-CD1 4.14Å; T249-L253 WeakPolarHBondContact O-CB 3.49Å; T249-L253 WeakPolarHBondContact O-CD1 3.5Å; T249-L253 VanDerWaalsContact O-CG 3.32Å; T249-L253 WeakPolarHBondContact O-CG 3.38Å; T249-L253 PolarHBondContact O-N 2.97Å
250	Y	74.4	Confident	67.9	Low	126 Å²	126	70.6 Å²	70.6	49%	0.494	38%	0.379	S	S	.	.	H	α-helix	trans	-68.6	-38.5	175.3	-79.5	-68.8	0	0	0	113.3	I246 S247 K248 L253 V254	I246-Y250 HydrophobicContact CG2-CD2 3.84Å; I246-Y250 HydrophobicContact CG2-CE2 3.72Å; I246-Y250 VanDerWaalsContact O-CD2 3.23Å; I246-Y250 WeakPolarHBondContact O-CD2 3.35Å; I246-Y250 PolarHBondContact O-N 3.14Å; S247-Y250 PolarHBondContact O-N 3.22Å; K248-Y250 VanDerWaalsContact C-N 3.35Å; Y250-L253 HydrophobicContact CD1-CD1 4.28Å; Y250-L253 PolarHBondContact O-N 3.21Å; Y250-V254 WeakPolarHBondContact O-CG2 3.46Å; Y250-V254 PolarHBondContact O-N 3.21Å
251	Y	75.4	Confident	70.1	Confident	20 Å²	20	68.9 Å²	68.9	8%	0.078	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-50.2	173.6	176	-94.3	0	0	0	111.4	S247 K248 L253 V254 L255 L399 M403	S247-Y251 WeakPolarHBondContact O-CB 3.31Å; S247-Y251 PolarHBondContact O-N 3.17Å; K248-Y251 PolarHBondContact O-N 3.16Å; Y251-L253 PolarHBondContact O-N 3.21Å; Y251-V254 PolarHBondContact O-N 3.22Å; Y251-L255 HydrophobicContact CE1-CD2 4.03Å; Y251-L255 WeakPolarHBondContact O-CB 3.46Å; Y251-L255 PolarHBondContact O-N 2.87Å; Y251-L399 HydrophobicContact CD2-CD1 3.72Å; Y251-L399 HydrophobicContact CD2-CG 4.37Å; Y251-L399 HydrophobicContact CE2-CD1 3.43Å; Y251-L399 VanDerWaalsContact CE2-CD1 3.43Å; Y251-L399 HydrophobicContact CE2-CG 3.85Å; Y251-M403 HydrophobicContact CE2-CE 3.64Å
252	N	75.9	Confident	72.6	Confident	56 Å²	56	59.2 Å²	59.2	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177.3	-79	-74.2	0	0	0	112.2	K248 L255 Q256 E320	K248-N252 PolarHBondContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.36Å; N252-L255 PolarHBondContact O-N 2.71Å; N252-Q256 VanDerWaalsContact O-CB 3.29Å; N252-Q256 WeakPolarHBondContact O-CB 3.37Å; N252-Q256 PolarHBondContact O-N 2.79Å; N252-E320 PolarHBondContact ND2-OE1 3.35Å
253	L	79.9	Confident	74.7	Confident	91 Å²	91	57.2 Å²	57.2	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-41.9	173.7	-79.4	163.9	0	0	0	113	T249 Y250 Y251 N257	T249-L253 HydrophobicContact CG2-CD1 4.14Å; T249-L253 WeakPolarHBondContact O-CB 3.49Å; T249-L253 WeakPolarHBondContact O-CD1 3.5Å; T249-L253 VanDerWaalsContact O-CG 3.32Å; T249-L253 WeakPolarHBondContact O-CG 3.38Å; T249-L253 PolarHBondContact O-N 2.97Å; Y250-L253 HydrophobicContact CD1-CD1 4.28Å; Y250-L253 PolarHBondContact O-N 3.21Å; Y251-L253 PolarHBondContact O-N 3.21Å; L253-N257 WeakPolarHBondContact O-CB 3.32Å; L253-N257 PolarHBondContact O-N 3.32Å
254	V	78.9	Confident	76.5	Confident	22 Å²	22	57.5 Å²	57.5	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-42.4	177.1	172.4	0	0	0	0	110.7	Y250 Y251 N257 I258 E398 L399	Y250-V254 WeakPolarHBondContact O-CG2 3.46Å; Y250-V254 PolarHBondContact O-N 3.21Å; Y251-V254 PolarHBondContact O-N 3.22Å; V254-N257 PolarHBondContact O-N 3.35Å; V254-I258 HydrophobicContact CG1-CD1 4.21Å; V254-I258 WeakPolarHBondContact O-CG1 3.38Å; V254-I258 PolarHBondContact O-N 3.44Å; V254-E398 HydrophobicContact CG2-CG 4.26Å; V254-L399 HydrophobicContact CB-CD1 4.45Å; V254-L399 HydrophobicContact CG1-CB 4.17Å; V254-L399 HydrophobicContact CG1-CD1 4.02Å
255	L	80	Confident	78.2	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.6	-174.8	57.7	0	0	0	111.8	Y251 N252 I258 L259 T316 V325 L399	Y251-L255 HydrophobicContact CE1-CD2 4.03Å; Y251-L255 WeakPolarHBondContact O-CB 3.46Å; Y251-L255 PolarHBondContact O-N 2.87Å; N252-L255 PolarHBondContact O-N 2.71Å; L255-I258 PolarHBondContact O-N 2.92Å; L255-L259 PolarHBondContact O-N 3.24Å; L255-T316 HydrophobicContact CD1-CG2 4.17Å; L255-T316 HydrophobicContact CD2-CG2 3.9Å; L255-T316 HydrophobicContact CG-CG2 3.76Å; L255-V325 HydrophobicContact CD1-CG1 4.47Å; L255-V325 HydrophobicContact CD1-CG2 4.04Å; L255-L399 HydrophobicContact CB-CD1 4.27Å
256	Q	82.1	Confident	79.7	Confident	100 Å²	100	53.1 Å²	53.1	47%	0.467	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-41.5	172.3	-176.6	177.4	-18	0	0	111.7	N252 I258 L259 E260	N252-Q256 VanDerWaalsContact O-CB 3.29Å; N252-Q256 WeakPolarHBondContact O-CB 3.37Å; N252-Q256 PolarHBondContact O-N 2.79Å; Q256-I258 PolarHBondContact O-N 3.29Å; Q256-L259 PolarHBondContact O-N 3.17Å; Q256-E260 HydrophobicContact CG-CG 4.31Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.43Å; Q256-E260 PolarHBondContact NE2-OE1 2.9Å; Q256-E260 WeakPolarHBondContact O-CB 3.21Å; Q256-E260 WeakPolarHBondContact O-CG 3.25Å; Q256-E260 PolarHBondContact O-N 2.79Å
257	N	86.3	Confident	81.1	Confident	74 Å²	74	54.7 Å²	54.7	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-37.1	176.4	-177	-105.9	0	0	0	112.9	L253 V254 T261	L253-N257 WeakPolarHBondContact O-CB 3.32Å; L253-N257 PolarHBondContact O-N 3.32Å; V254-N257 PolarHBondContact O-N 3.35Å; N257-T261 WeakPolarHBondContact O-CB 3.5Å; N257-T261 VanDerWaalsContact O-CG2 3.31Å; N257-T261 WeakPolarHBondContact O-CG2 3.45Å; N257-T261 PolarHBondContact O-N 3.04Å; N257-T261 PolarHBondContact O-OG1 3.08Å
258	I	85.3	Confident	82.3	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-50.1	171.7	-68	167.7	0	0	0	109.2	V254 L255 Q256 T261 E262 L312 L395 L399	V254-I258 HydrophobicContact CG1-CD1 4.21Å; V254-I258 WeakPolarHBondContact O-CG1 3.38Å; V254-I258 PolarHBondContact O-N 3.44Å; L255-I258 PolarHBondContact O-N 2.92Å; Q256-I258 PolarHBondContact O-N 3.29Å; I258-T261 PolarHBondContact O-N 3.12Å; I258-T261 PolarHBondContact O-OG1 3.03Å; I258-T261 VanDerWaalsContact O-OG1 3.1Å; I258-E262 WeakPolarHBondContact O-CB 3.46Å; I258-E262 PolarHBondContact O-N 2.87Å; I258-L312 HydrophobicContact CG2-CD2 4.22Å; I258-L395 HydrophobicContact CD1-CB 4.26Å; I258-L395 HydrophobicContact CG1-CB 4.12Å; I258-L395 HydrophobicContact CG1-CD2 4.23Å; I258-L399 HydrophobicContact CD1-CB 4.41Å; I258-L399 HydrophobicContact CD1-CD1 4.48Å; I258-L399 HydrophobicContact CD1-CD2 4.38Å
259	L	85.8	Confident	83.3	Confident	27 Å²	27	52.6 Å²	52.6	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-44.7	179.5	179.9	65.4	0	0	0	113	L255 Q256 E262 T263 V309 L312 E313 T316	L255-L259 PolarHBondContact O-N 3.24Å; Q256-L259 PolarHBondContact O-N 3.17Å; L259-E262 PolarHBondContact O-N 3.45Å; L259-T263 VanDerWaalsContact O-CB 3.31Å; L259-T263 WeakPolarHBondContact O-CB 3.37Å; L259-T263 PolarHBondContact O-N 3.15Å; L259-T263 PolarHBondContact O-OG1 3.32Å; L259-V309 HydrophobicContact CD1-CG1 4.46Å; L259-L312 HydrophobicContact CB-CD2 4.39Å; L259-L312 HydrophobicContact CD1-CB 4.28Å; L259-L312 HydrophobicContact CD1-CD2 3.97Å; L259-L312 HydrophobicContact CD1-CG 4.08Å; L259-E313 HydrophobicContact CD1-CG 3.69Å; L259-E313 HydrophobicContact CD2-CG 4.14Å; L259-E313 HydrophobicContact CG-CG 4.44Å; L259-T316 HydrophobicContact CD2-CG2 4.46Å
260	E	87.1	Confident	84.2	Confident	100 Å²	100	53.2 Å²	53.2	47%	0.467	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-49	177.7	-76.4	172.3	-178.7	0	0	111.3	Q256 E262 T263 E264	Q256-E260 HydrophobicContact CG-CG 4.31Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.43Å; Q256-E260 PolarHBondContact NE2-OE1 2.9Å; Q256-E260 WeakPolarHBondContact O-CB 3.21Å; Q256-E260 WeakPolarHBondContact O-CG 3.25Å; Q256-E260 PolarHBondContact O-N 2.79Å; E260-E262 VanDerWaalsContact C-N 3.3Å; E260-E262 PolarHBondContact O-N 3.27Å; E260-T263 PolarHBondContact O-N 3.21Å; E260-E264 WeakPolarHBondContact O-CB 3.47Å; E260-E264 PolarHBondContact O-N 3.09Å
261	T	87.5	Confident	84.7	Confident	32 Å²	32	49.7 Å²	49.7	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-27.6	179.3	59	0	0	0	0	113.1	N257 I258 Y265 R388	N257-T261 WeakPolarHBondContact O-CB 3.5Å; N257-T261 VanDerWaalsContact O-CG2 3.31Å; N257-T261 WeakPolarHBondContact O-CG2 3.45Å; N257-T261 PolarHBondContact O-N 3.04Å; N257-T261 PolarHBondContact O-OG1 3.08Å; I258-T261 PolarHBondContact O-N 3.12Å; I258-T261 PolarHBondContact O-OG1 3.03Å; I258-T261 VanDerWaalsContact O-OG1 3.1Å; T261-Y265 WeakPolarHBondContact O-CB 3.46Å; T261-Y265 PolarHBondContact O-N 3.12Å; T261-R388 VanDerWaalsContact CB-NH1 3.32Å; T261-R388 PolarHBondContact OG1-NH1 3.29Å; T261-R388 PolarHBondContact OG1-NH2 3.47Å
262	E	88.4	Confident	85.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-74	-38.3	174	-160.5	76.1	159.8	0	0	111.6	I258 L259 E260 Y265 S266 Q305 L308 V309 R388 Y392	I258-E262 WeakPolarHBondContact O-CB 3.46Å; I258-E262 PolarHBondContact O-N 2.87Å; L259-E262 PolarHBondContact O-N 3.45Å; E260-E262 VanDerWaalsContact C-N 3.3Å; E260-E262 PolarHBondContact O-N 3.27Å; E262-Y265 PolarHBondContact O-N 3.29Å; E262-S266 WeakPolarHBondContact O-CB 3.18Å; E262-S266 PolarHBondContact O-N 2.87Å; E262-Q305 PolarHBondContact OE1-NE2 3.46Å; E262-L308 HydrophobicContact CG-CD2 3.78Å; E262-L308 WeakPolarHBondContact OE1-CD2 3.07Å; E262-V309 HydrophobicContact CB-CG2 4.09Å; E262-V309 HydrophobicContact CG-CG2 3.62Å; E262-R388 IonicContact OE2-CZ 3.27Å; E262-R388 IonicContact OE2-NE 2.76Å; E262-R388 PolarHBondContact OE2-NE 2.92Å; E262-R388 IonicContact OE2-NH2 2.87Å; E262-R388 PolarHBondContact OE2-NH2 2.82Å; E262-Y392 WeakPolarHBondContact OE1-CE1 3.48Å; E262-Y392 PolarHBondContact OE1-OH 3.07Å; E262-Y392 PolarHBondContact OE2-OH 3.42Å
263	T	88.5	Confident	85.4	Confident	29 Å²	29	47 Å²	47	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-41.9	174.5	-58.3	0	0	0	0	111.5	L259 E260 S266 K267 V309	L259-T263 VanDerWaalsContact O-CB 3.31Å; L259-T263 WeakPolarHBondContact O-CB 3.37Å; L259-T263 PolarHBondContact O-N 3.15Å; L259-T263 PolarHBondContact O-OG1 3.32Å; E260-T263 PolarHBondContact O-N 3.21Å; T263-S266 PolarHBondContact O-N 3.26Å; T263-K267 HydrophobicContact CG2-CD 4.25Å; T263-K267 VanDerWaalsContact O-CG 3.3Å; T263-K267 WeakPolarHBondContact O-CG 3.19Å; T263-K267 PolarHBondContact O-N 2.98Å; T263-V309 WeakPolarHBondContact OG1-CG1 3.33Å
264	E	88.1	Confident	85.6	Confident	122 Å²	122	45.6 Å²	45.6	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-60.8	-49.4	173.1	-175.1	177.8	-151.3	0	0	110.9	E260 S266 K267 D268	E260-E264 WeakPolarHBondContact O-CB 3.47Å; E260-E264 PolarHBondContact O-N 3.09Å; E264-S266 PolarHBondContact O-N 2.98Å; E264-K267 PolarHBondContact O-N 3.13Å; E264-D268 WeakPolarHBondContact O-CB 3.35Å; E264-D268 PolarHBondContact O-N 2.9Å
265	Y	89.3	Confident	85.6	Confident	13 Å²	13	48.2 Å²	48.2	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-41.7	176.3	173.3	-122.4	0	0	0	112.8	T261 E262 K267 D268 L269 Q305 Y340 K384 P385 R388	T261-Y265 WeakPolarHBondContact O-CB 3.46Å; T261-Y265 PolarHBondContact O-N 3.12Å; E262-Y265 PolarHBondContact O-N 3.29Å; Y265-K267 PolarHBondContact O-N 2.91Å; Y265-D268 WeakPolarHBondContact O-CB 3.4Å; Y265-D268 PolarHBondContact O-N 2.77Å; Y265-L269 HydrophobicContact CD2-CG 4.28Å; Y265-L269 HydrophobicContact CE1-CD1 4.05Å; Y265-L269 HydrophobicContact CE2-CD1 4.04Å; Y265-L269 HydrophobicContact CE2-CD2 3.84Å; Y265-L269 HydrophobicContact CE2-CG 3.79Å; Y265-L269 WeakPolarHBondContact O-CG 3.43Å; Y265-L269 PolarHBondContact O-N 3.03Å; Y265-Q305 HydrophobicContact CD1-CG 3.77Å; Y265-Q305 VanDerWaalsContact CE1-CD 3.47Å; Y265-Q305 HydrophobicContact CE1-CG 3.77Å; Y265-Q305 VanDerWaalsContact CE1-OE1 3.29Å; Y265-Y340 PolarHBondContact OH-OH 2.84Å; Y265-K384 HydrophobicContact CE2-CB 4.12Å; Y265-P385 VanDerWaalsContact OH-CA 3.25Å; Y265-P385 WeakPolarHBondContact OH-CA 3.36Å; Y265-P385 WeakPolarHBondContact OH-CB 3.4Å; Y265-R388 HydrophobicContact CD1-CB 4.34Å; Y265-R388 HydrophobicContact CD1-CG 3.77Å; Y265-R388 HydrophobicContact CD2-CB 4.44Å; Y265-R388 HydrophobicContact CE1-CB 4.16Å; Y265-R388 HydrophobicContact CE1-CG 3.9Å; Y265-R388 HydrophobicContact CE2-CB 4.26Å; Y265-R388 HydrophobicContact CG-CB 4.49Å; Y265-R388 HydrophobicContact CG-CG 4.15Å
266	S	89.2	Confident	85.4	Confident	8 Å²	8	49.7 Å²	49.7	6%	0.056	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175.1	-172.4	0	0	0	0	112.6	E262 T263 E264 Q270 Q306	E262-S266 WeakPolarHBondContact O-CB 3.18Å; E262-S266 PolarHBondContact O-N 2.87Å; T263-S266 PolarHBondContact O-N 3.26Å; E264-S266 PolarHBondContact O-N 2.98Å; S266-Q270 WeakPolarHBondContact O-CB 3.43Å; S266-Q270 PolarHBondContact O-N 3.23Å; S266-Q270 VanDerWaalsContact O-N 3.09Å; S266-Q306 VanDerWaalsContact OG-CG 3.24Å; S266-Q306 WeakPolarHBondContact OG-CG 3.31Å
267	K	87.8	Confident	85	Confident	134 Å²	134	44.9 Å²	44.9	58%	0.583	23%	0.229	S	C	*	.	H	α-helix	trans	-66.4	-39.7	176.3	-73.7	167.7	-178.7	170	0	111.6	T263 E264 Y265 Q270 S271	T263-K267 HydrophobicContact CG2-CD 4.25Å; T263-K267 VanDerWaalsContact O-CG 3.3Å; T263-K267 WeakPolarHBondContact O-CG 3.19Å; T263-K267 PolarHBondContact O-N 2.98Å; E264-K267 PolarHBondContact O-N 3.13Å; Y265-K267 PolarHBondContact O-N 2.91Å; K267-Q270 PolarHBondContact O-N 2.96Å; K267-S271 VanDerWaalsContact O-CB 3.23Å; K267-S271 WeakPolarHBondContact O-CB 3.26Å; K267-S271 PolarHBondContact O-N 3.5Å
268	D	86.1	Confident	84.6	Confident	62 Å²	62	47.2 Å²	47.2	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-46.2	175.4	-92.9	-12.2	0	0	0	112.4	E264 Y265 S271 L272 K384	E264-D268 WeakPolarHBondContact O-CB 3.35Å; E264-D268 PolarHBondContact O-N 2.9Å; Y265-D268 WeakPolarHBondContact O-CB 3.4Å; Y265-D268 PolarHBondContact O-N 2.77Å; D268-S271 PolarHBondContact O-N 3.33Å; D268-L272 WeakPolarHBondContact O-CB 3.5Å; D268-L272 PolarHBondContact O-N 3.15Å; D268-K384 HydrophobicContact CB-CD 4.44Å; D268-K384 IonicContact OD1-NZ 2.61Å; D268-K384 IonicContact OD2-NZ 3.11Å; D268-K384 PolarHBondContact OD2-NZ 3.2Å
269	L	85.5	Confident	84.2	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-45.7	175.1	-70.7	-175.5	0	0	0	111.8	Y265 S271 L272 L273 L298 I301 Q305 P385	Y265-L269 HydrophobicContact CD2-CG 4.28Å; Y265-L269 HydrophobicContact CE1-CD1 4.05Å; Y265-L269 HydrophobicContact CE2-CD1 4.04Å; Y265-L269 HydrophobicContact CE2-CD2 3.84Å; Y265-L269 HydrophobicContact CE2-CG 3.79Å; Y265-L269 WeakPolarHBondContact O-CG 3.43Å; Y265-L269 PolarHBondContact O-N 3.03Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 3.47Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.31Å; L269-L298 HydrophobicContact CD2-CD1 4.12Å; L269-I301 HydrophobicContact CD1-CG2 4.04Å; L269-Q305 HydrophobicContact CD1-CB 4.13Å; L269-Q305 HydrophobicContact CD1-CG 4.17Å; L269-P385 HydrophobicContact CD2-CG 4.29Å
270	Q	86.7	Confident	83.5	Confident	93 Å²	93	47.1 Å²	47.1	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-65.2	-37.6	-180	-170.9	178.4	15.7	0	0	111.8	S266 K267 T274	S266-Q270 WeakPolarHBondContact O-CB 3.43Å; S266-Q270 PolarHBondContact O-N 3.23Å; S266-Q270 VanDerWaalsContact O-N 3.09Å; K267-Q270 PolarHBondContact O-N 2.96Å; Q270-T274 VanDerWaalsContact O-CB 3.26Å; Q270-T274 WeakPolarHBondContact O-CB 3.23Å; Q270-T274 PolarHBondContact O-N 2.95Å; Q270-T274 PolarHBondContact O-OG1 3.24Å
271	S	85.8	Confident	82.7	Confident	52 Å²	52	47.5 Å²	47.5	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-46.8	172.8	-178.4	0	0	0	0	111.3	K267 D268 L269 L273 T274 N275	K267-S271 VanDerWaalsContact O-CB 3.23Å; K267-S271 WeakPolarHBondContact O-CB 3.26Å; K267-S271 PolarHBondContact O-N 3.5Å; D268-S271 PolarHBondContact O-N 3.33Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 2.91Å; S271-L273 PolarHBondContact O-N 2.97Å; S271-T274 PolarHBondContact O-N 2.7Å; S271-N275 VanDerWaalsContact O-CB 3.24Å; S271-N275 WeakPolarHBondContact O-CB 3.34Å; S271-N275 PolarHBondContact O-N 3.26Å; S271-N275 PolarHBondContact O-ND2 3.27Å; S271-N275 PolarHBondContact OG-ND2 3.37Å
272	L	82.8	Confident	81.8	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-45.3	176.4	-178.6	65.1	0	0	0	112	D268 L269 Y276 L277 L298 L378 G381	D268-L272 WeakPolarHBondContact O-CB 3.5Å; D268-L272 PolarHBondContact O-N 3.15Å; L269-L272 PolarHBondContact O-N 3.47Å; L272-Y276 HydrophobicContact CD1-CD2 3.93Å; L272-Y276 PolarHBondContact O-N 3.22Å; L272-L277 HydrophobicContact CG-CD1 4.21Å; L272-L277 PolarHBondContact O-N 3.41Å; L272-L298 HydrophobicContact CD2-CD2 4.03Å; L272-L378 HydrophobicContact CD1-CD1 4.17Å; L272-G381 VanDerWaalsContact CD2-C 3.48Å
273	L	82.7	Confident	80.9	Confident	8 Å²	8	54 Å²	54	4%	0.042	27%	0.269	C	S	.	.	I	π-helix	trans	-63.7	-46	176.6	-78.5	163.5	0	0	0	112.4	L269 S271 L277 R278 L295 L298 E299	L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.31Å; S271-L273 PolarHBondContact O-N 2.97Å; L273-L277 HydrophobicContact CD2-CB 4.36Å; L273-L277 HydrophobicContact CD2-CD1 3.76Å; L273-L277 HydrophobicContact CG-CD1 4.29Å; L273-L277 PolarHBondContact O-N 3.09Å; L273-R278 WeakPolarHBondContact O-CB 3.27Å; L273-R278 WeakPolarHBondContact O-CG 3.4Å; L273-R278 PolarHBondContact O-N 3.09Å; L273-L295 HydrophobicContact CD2-CD2 4.49Å; L273-L298 HydrophobicContact CD2-CB 4.46Å; L273-L298 HydrophobicContact CD2-CD2 4.22Å; L273-L298 HydrophobicContact CD2-CG 4.43Å; L273-L298 HydrophobicContact CG-CD2 4.33Å; L273-E299 HydrophobicContact CD2-CB 4.33Å
274	T	83.4	Confident	79.7	Confident	62 Å²	62	60.8 Å²	60.8	38%	0.38	30%	0.304	S	S	.	.	I	π-helix	trans	-77.3	-40.3	-173.1	-53.5	0	0	0	0	112.8	Q270 S271 P279	Q270-T274 VanDerWaalsContact O-CB 3.26Å; Q270-T274 WeakPolarHBondContact O-CB 3.23Å; Q270-T274 PolarHBondContact O-N 2.95Å; Q270-T274 PolarHBondContact O-OG1 3.24Å; S271-T274 PolarHBondContact O-N 2.7Å; T274-P279 WeakPolarHBondContact O-CD 3.26Å
275	N	80.4	Confident	78.6	Confident	77 Å²	77	62.4 Å²	62.4	41%	0.412	31%	0.309	S	S	.	.	I	π-helix	trans	-89.1	-27.4	-171.7	-62.9	-29	0	0	0	113.6	S271	S271-N275 VanDerWaalsContact O-CB 3.24Å; S271-N275 WeakPolarHBondContact O-CB 3.34Å; S271-N275 PolarHBondContact O-N 3.26Å; S271-N275 PolarHBondContact O-ND2 3.27Å; S271-N275 PolarHBondContact OG-ND2 3.37Å
276	Y	73.8	Confident	77.8	Confident	34 Å²	34	62.6 Å²	62.6	13%	0.133	31%	0.311	C	S	.	.	I	π-helix	trans	-120.7	-50.7	-175.1	-55.2	-69.7	0	0	0	112.8	L272 L280 M365 A370 T377	L272-Y276 HydrophobicContact CD1-CD2 3.93Å; L272-Y276 PolarHBondContact O-N 3.22Å; Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 PolarHBondContact O-N 2.53Å; Y276-M365 HydrophobicContact CD1-CE 3.82Å; Y276-M365 HydrophobicContact CE1-CE 4.06Å; Y276-M365 HydrophobicContact CG-CE 4.15Å; Y276-A370 HydrophobicContact CE1-CB 3.79Å; Y276-T377 HydrophobicContact CE2-CG2 4.23Å
277	L	73.9	Confident	77.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.324	C	S	.	.	I	π-helix	trans	-78.3	-38.3	-169.9	-65	169.1	0	0	0	114.3	L272 L273 L280 Q281 I294 L295 L298 L378	L272-L277 HydrophobicContact CG-CD1 4.21Å; L272-L277 PolarHBondContact O-N 3.41Å; L273-L277 HydrophobicContact CD2-CB 4.36Å; L273-L277 HydrophobicContact CD2-CD1 3.76Å; L273-L277 HydrophobicContact CG-CD1 4.29Å; L273-L277 PolarHBondContact O-N 3.09Å; L277-L280 VanDerWaalsContact O-CB 3.23Å; L277-L280 WeakPolarHBondContact O-CB 3.5Å; L277-L280 PolarHBondContact O-N 2.91Å; L277-Q281 PolarHBondContact O-N 3.08Å; L277-I294 HydrophobicContact CD2-CG2 3.73Å; L277-L295 HydrophobicContact CB-CD2 3.75Å; L277-L295 HydrophobicContact CD1-CD2 4.45Å; L277-L295 HydrophobicContact CG-CD2 4.47Å; L277-L298 HydrophobicContact CD1-CD2 3.47Å; L277-L298 VanDerWaalsContact CD1-CD2 3.47Å; L277-L378 HydrophobicContact CD2-CD1 4.06Å
278	R	78.5	Confident	76.5	Confident	122 Å²	122	63.2 Å²	63.2	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-45.1	172.1	-77.2	178.9	-179.6	173.1	-0.5	112.1	L273 L280 Q281 E299	L273-R278 WeakPolarHBondContact O-CB 3.27Å; L273-R278 WeakPolarHBondContact O-CG 3.4Å; L273-R278 PolarHBondContact O-N 3.09Å; R278-L280 PolarHBondContact O-N 3.07Å; R278-Q281 WeakPolarHBondContact O-CB 3.49Å; R278-Q281 PolarHBondContact O-N 3.33Å; R278-E299 IonicContact CZ-OE1 2.66Å; R278-E299 IonicContact NE-OE1 2.66Å; R278-E299 IonicContact NH2-OE1 3.35Å; R278-E299 PolarHBondContact NH2-OE1 3.18Å
279	P	76.3	Confident	76	Confident	29 Å²	29	64 Å²	64	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-32.6	169.2	-31.1	40.2	0	0	0	114	T274 Q281 N282 F364	T274-P279 WeakPolarHBondContact O-CD 3.26Å; P279-Q281 PolarHBondContact O-N 2.86Å; P279-N282 PolarHBondContact O-N 3.15Å; P279-N282 VanDerWaalsContact O-N 3.12Å; P279-F364 HydrophobicContact CB-CE1 4.28Å; P279-F364 HydrophobicContact CB-CZ 3.67Å
280	L	72	Confident	75.7	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-31.8	177	-133.9	103.3	0	0	0	113.6	Y276 L277 R278 N282 I283 L286 V291 I294 L361 F364	Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 PolarHBondContact O-N 2.53Å; L277-L280 VanDerWaalsContact O-CB 3.23Å; L277-L280 WeakPolarHBondContact O-CB 3.5Å; L277-L280 PolarHBondContact O-N 2.91Å; R278-L280 PolarHBondContact O-N 3.07Å; L280-N282 PolarHBondContact O-N 3.4Å; L280-I283 HydrophobicContact CB-CD1 4.48Å; L280-I283 HydrophobicContact CD1-CD1 4.35Å; L280-I283 HydrophobicContact CG-CD1 3.95Å; L280-I283 PolarHBondContact O-N 2.98Å; L280-L286 HydrophobicContact CD2-CD1 3.9Å; L280-L286 HydrophobicContact CG-CD1 4.24Å; L280-V291 HydrophobicContact CB-CG1 4.41Å; L280-V291 HydrophobicContact CD2-CG1 4.18Å; L280-V291 HydrophobicContact CD2-CG2 4.3Å; L280-I294 HydrophobicContact CD2-CD1 3.92Å; L280-I294 HydrophobicContact CD2-CG2 4.31Å; L280-L361 HydrophobicContact CD1-CD2 3.95Å; L280-L361 HydrophobicContact CD2-CD2 4.22Å; L280-L361 HydrophobicContact CG-CD2 4.44Å; L280-F364 HydrophobicContact CD1-CD1 3.98Å; L280-F364 HydrophobicContact CD1-CE1 3.9Å
281	Q	69.7	Low	75.2	Confident	108 Å²	108	61.7 Å²	61.7	51%	0.505	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.4	177.9	-67.1	175.9	-29.7	0	0	113.5	L277 R278 P279 V291 L295	L277-Q281 PolarHBondContact O-N 3.08Å; R278-Q281 WeakPolarHBondContact O-CB 3.49Å; R278-Q281 PolarHBondContact O-N 3.33Å; P279-Q281 PolarHBondContact O-N 2.86Å; Q281-V291 HydrophobicContact CG-CG1 3.9Å; Q281-L295 HydrophobicContact CG-CD1 3.93Å; Q281-L295 VanDerWaalsContact NE2-CD1 3.26Å
282	N	68.3	Low	74.9	Confident	142 Å²	142	62 Å²	62	76%	0.759	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	12.5	-178.3	-62.1	-26.8	0	0	0	112.9	P279 L280	P279-N282 PolarHBondContact O-N 3.15Å; P279-N282 VanDerWaalsContact O-N 3.12Å; L280-N282 PolarHBondContact O-N 3.4Å
283	I	70.9	Confident	74.8	Confident	25 Å²	25	64.7 Å²	64.7	13%	0.128	35%	0.353	C	S	.	.			trans	-94.5	107.4	-179.7	-56.3	174.6	0	0	0	110.8	L280 K285 L286 F364	L280-I283 HydrophobicContact CB-CD1 4.48Å; L280-I283 HydrophobicContact CD1-CD1 4.35Å; L280-I283 HydrophobicContact CG-CD1 3.95Å; L280-I283 PolarHBondContact O-N 2.98Å; I283-K285 HydrophobicContact CG2-CB 3.7Å; I283-K285 HydrophobicContact CG2-CG 4.24Å; I283-K285 PolarHBondContact O-N 3.41Å; I283-L286 HydrophobicContact CD1-CD1 4.39Å; I283-L286 PolarHBondContact O-N 3.4Å; I283-F364 HydrophobicContact CD1-CB 4.27Å; I283-F364 HydrophobicContact CD1-CD1 3.65Å; I283-F364 HydrophobicContact CD1-CD2 3.33Å; I283-F364 HydrophobicContact CD1-CE1 3.73Å; I283-F364 HydrophobicContact CD1-CE2 3.39Å; I283-F364 HydrophobicContact CD1-CG 3.45Å; I283-F364 VanDerWaalsContact CD1-CG 3.45Å; I283-F364 HydrophobicContact CD1-CZ 3.58Å; I283-F364 HydrophobicContact CG1-CD2 3.85Å; I283-F364 HydrophobicContact CG1-CE2 3.57Å; I283-F364 HydrophobicContact CG1-CG 4.45Å; I283-F364 HydrophobicContact CG1-CZ 3.96Å
284	D	61.9	Low	74.6	Confident	173 Å²	173	64.4 Å²	64.4	93%	0.925	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-8.6	173.9	-73.5	-29.1	0	0	0	114.8
285	K	66.6	Low	74.2	Confident	156 Å²	156	62.6 Å²	62.6	68%	0.678	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.6	178.9	-60.6	-177.8	175.9	-179.1	0	114.8	I283 T360	I283-K285 HydrophobicContact CG2-CB 3.7Å; I283-K285 HydrophobicContact CG2-CG 4.24Å; I283-K285 PolarHBondContact O-N 3.41Å; K285-T360 HydrophobicContact CB-CG2 4.02Å; K285-T360 HydrophobicContact CD-CG2 3.82Å
286	L	70.8	Confident	74.1	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.084	34%	0.337	C	S	.	.	S	Bend	trans	-117.3	146.6	178.4	-72.2	166.8	0	0	0	109.7	L280 I283 V291 H357 L361	L280-L286 HydrophobicContact CD2-CD1 3.9Å; L280-L286 HydrophobicContact CG-CD1 4.24Å; I283-L286 HydrophobicContact CD1-CD1 4.39Å; I283-L286 PolarHBondContact O-N 3.4Å; L286-V291 HydrophobicContact CB-CG2 3.75Å; L286-V291 HydrophobicContact CD1-CG2 4.22Å; L286-H357 HydrophobicContact CD2-CB 3.9Å; L286-L361 HydrophobicContact CD1-CD2 3.85Å
287	S	76.1	Confident	74.5	Confident	47 Å²	47	59.7 Å²	59.7	33%	0.329	34%	0.335	S	S	.	.			trans	-71.1	146.4	173.6	84.1	0	0	0	0	110.1	S289 D290 V291	S287-S289 PolarHBondContact O-N 2.98Å; S287-S289 VanDerWaalsContact O-N 3.15Å; S287-S289 PolarHBondContact OG-OG 3.01Å; S287-D290 VanDerWaalsContact CB-OD2 3.26Å; S287-D290 WeakPolarHBondContact CB-OD2 3.42Å; S287-D290 PolarHBondContact O-N 3.27Å; S287-D290 PolarHBondContact OG-N 2.91Å; S287-D290 VanDerWaalsContact OG-N 3.09Å; S287-D290 PolarHBondContact OG-OD2 2.9Å; S287-V291 PolarHBondContact O-N 3.41Å; S287-V291 VanDerWaalsContact O-N 3.08Å
288	S	74.1	Confident	74.9	Confident	108 Å²	108	59.7 Å²	59.7	76%	0.755	34%	0.335	S	S	*	.	H	α-helix	trans	-56.7	-31.5	176.5	178.8	0	0	0	0	112.2	A292	S288-A292 WeakPolarHBondContact O-CB 3.38Å; S288-A292 PolarHBondContact O-N 3.03Å
289	S	75.9	Confident	75.2	Confident	79 Å²	79	58.2 Å²	58.2	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-42.4	171.1	27.5	0	0	0	0	113.7	S287 A292 L293	S287-S289 PolarHBondContact O-N 2.98Å; S287-S289 VanDerWaalsContact O-N 3.15Å; S287-S289 PolarHBondContact OG-OG 3.01Å; S289-A292 PolarHBondContact O-N 2.89Å; S289-L293 WeakPolarHBondContact O-CG 3.21Å; S289-L293 PolarHBondContact O-N 3.3Å
290	D	79	Confident	75.7	Confident	35 Å²	35	62.3 Å²	62.3	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-40.9	179.2	-64.3	-42.5	0	0	0	111.3	S287 A292 L293 I294 V353	S287-D290 VanDerWaalsContact CB-OD2 3.26Å; S287-D290 WeakPolarHBondContact CB-OD2 3.42Å; S287-D290 PolarHBondContact O-N 3.27Å; S287-D290 PolarHBondContact OG-N 2.91Å; S287-D290 VanDerWaalsContact OG-N 3.09Å; S287-D290 PolarHBondContact OG-OD2 2.9Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 2.73Å; D290-L293 PolarHBondContact O-N 2.82Å; D290-I294 WeakPolarHBondContact O-CG1 3.26Å; D290-I294 PolarHBondContact O-N 3.42Å; D290-V353 HydrophobicContact CB-CG1 3.76Å
291	V	77.2	Confident	76.4	Confident	10 Å²	10	62.2 Å²	62.2	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-40.2	174.7	-176.5	0	0	0	0	110.9	L280 Q281 L286 S287 L293 I294 L295	L280-V291 HydrophobicContact CB-CG1 4.41Å; L280-V291 HydrophobicContact CD2-CG1 4.18Å; L280-V291 HydrophobicContact CD2-CG2 4.3Å; Q281-V291 HydrophobicContact CG-CG1 3.9Å; L286-V291 HydrophobicContact CB-CG2 3.75Å; L286-V291 HydrophobicContact CD1-CG2 4.22Å; S287-V291 PolarHBondContact O-N 3.41Å; S287-V291 VanDerWaalsContact O-N 3.08Å; V291-L293 VanDerWaalsContact C-N 3.34Å; V291-L293 PolarHBondContact O-N 2.83Å; V291-I294 PolarHBondContact O-N 3.41Å; V291-L295 HydrophobicContact CG1-CD1 3.83Å; V291-L295 HydrophobicContact CG1-CG 4.41Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CD1 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.28Å; V291-L295 PolarHBondContact O-N 3.46Å
292	A	79.7	Confident	77.3	Confident	58 Å²	58	57.2 Å²	57.2	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-36.2	174.1	0	0	0	0	0	112.8	S288 S289 D290 G296	S288-A292 WeakPolarHBondContact O-CB 3.38Å; S288-A292 PolarHBondContact O-N 3.03Å; S289-A292 PolarHBondContact O-N 2.89Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 2.73Å; A292-G296 PolarHBondContact O-N 3.18Å
293	L	79.6	Confident	78.3	Confident	68 Å²	68	54.1 Å²	54.1	36%	0.356	31%	0.312	S	S	.	.	H	α-helix	trans	-68.3	-39.4	173.9	-72.7	172.1	0	0	0	112.5	S289 D290 V291 A350 V353	S289-L293 WeakPolarHBondContact O-CG 3.21Å; S289-L293 PolarHBondContact O-N 3.3Å; D290-L293 PolarHBondContact O-N 2.82Å; V291-L293 VanDerWaalsContact C-N 3.34Å; V291-L293 PolarHBondContact O-N 2.83Å; L293-A350 WeakPolarHBondContact O-CB 3.48Å; L293-V353 HydrophobicContact CD1-CG2 4.19Å
294	I	78.1	Confident	79.2	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-68.7	-39.8	176.5	-65.7	165.9	0	0	0	111.4	L277 L280 D290 V291 V353 L354 L361 L378	L277-I294 HydrophobicContact CD2-CG2 3.73Å; L280-I294 HydrophobicContact CD2-CD1 3.92Å; L280-I294 HydrophobicContact CD2-CG2 4.31Å; D290-I294 WeakPolarHBondContact O-CG1 3.26Å; D290-I294 PolarHBondContact O-N 3.42Å; V291-I294 PolarHBondContact O-N 3.41Å; I294-V353 HydrophobicContact CD1-CG1 3.77Å; I294-V353 HydrophobicContact CG1-CB 4.39Å; I294-V353 HydrophobicContact CG1-CG1 4Å; I294-L354 HydrophobicContact CD1-CD2 4.07Å; I294-L354 HydrophobicContact CG1-CD2 4.21Å; I294-L354 HydrophobicContact CG2-CD2 4.42Å; I294-L361 HydrophobicContact CD1-CD1 4.49Å; I294-L378 HydrophobicContact CG2-CD2 4.49Å
295	L	74.8	Confident	80.4	Confident	25 Å²	25	45.5 Å²	45.5	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-43.2	174.1	-78	161.6	0	0	0	112	L273 L277 Q281 V291 N297 L298	L273-L295 HydrophobicContact CD2-CD2 4.49Å; L277-L295 HydrophobicContact CB-CD2 3.75Å; L277-L295 HydrophobicContact CD1-CD2 4.45Å; L277-L295 HydrophobicContact CG-CD2 4.47Å; Q281-L295 HydrophobicContact CG-CD1 3.93Å; Q281-L295 VanDerWaalsContact NE2-CD1 3.26Å; V291-L295 HydrophobicContact CG1-CD1 3.83Å; V291-L295 HydrophobicContact CG1-CG 4.41Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CD1 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.28Å; V291-L295 PolarHBondContact O-N 3.46Å; L295-N297 PolarHBondContact O-N 3.17Å; L295-L298 WeakPolarHBondContact O-CB 3.39Å; L295-L298 PolarHBondContact O-N 3.02Å
296	G	79.9	Confident	81.5	Confident	33 Å²	33	40.9 Å²	40.9	34%	0.34	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-132.5	-173.1	0	0	0	0	0	111.5	A292	A292-G296 PolarHBondContact O-N 3.18Å
297	N	82.3	Confident	82.4	Confident	17 Å²	17	45.1 Å²	45.1	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	30.1	171.6	66.4	-39.1	0	0	0	112.5	L295 E299 E300 I301 L339 Y343	L295-N297 PolarHBondContact O-N 3.17Å; N297-E299 VanDerWaalsContact C-N 3.31Å; N297-E299 PolarHBondContact O-N 2.95Å; N297-E300 HydrophobicContact CB-CB 4.38Å; N297-E300 HydrophobicContact CB-CG 4.4Å; N297-E300 WeakPolarHBondContact O-CB 3.24Å; N297-E300 PolarHBondContact O-N 3Å; N297-I301 PolarHBondContact O-N 3.38Å; N297-L339 PolarHBondContact ND2-O 2.74Å; N297-Y343 WeakPolarHBondContact OD1-CA 3.3Å; N297-Y343 VanDerWaalsContact OD1-CB 3.26Å; N297-Y343 WeakPolarHBondContact OD1-CB 3.48Å; N297-Y343 WeakPolarHBondContact OD1-CD2 3.34Å; N297-Y343 PolarHBondContact OD1-N 3.33Å
298	L	82.2	Confident	82.9	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-30.4	-178.6	-167.2	70.6	0	0	0	112.8	L269 L272 L273 L277 L295 I301 S302 Y343 L382 P385	L269-L298 HydrophobicContact CD2-CD1 4.12Å; L272-L298 HydrophobicContact CD2-CD2 4.03Å; L273-L298 HydrophobicContact CD2-CB 4.46Å; L273-L298 HydrophobicContact CD2-CD2 4.22Å; L273-L298 HydrophobicContact CD2-CG 4.43Å; L273-L298 HydrophobicContact CG-CD2 4.33Å; L277-L298 HydrophobicContact CD1-CD2 3.47Å; L277-L298 VanDerWaalsContact CD1-CD2 3.47Å; L295-L298 WeakPolarHBondContact O-CB 3.39Å; L295-L298 PolarHBondContact O-N 3.02Å; L298-I301 PolarHBondContact O-N 3.26Å; L298-S302 WeakPolarHBondContact O-CB 3.41Å; L298-S302 PolarHBondContact O-N 3.47Å; L298-Y343 HydrophobicContact CB-CE2 4.27Å; L298-Y343 HydrophobicContact CD1-CE2 3.87Å; L298-L382 HydrophobicContact CD2-CD2 4.11Å; L298-P385 HydrophobicContact CD1-CG 4.13Å
299	E	84.3	Confident	83.6	Confident	91 Å²	91	38.4 Å²	38.4	43%	0.425	22%	0.219	S	C	.	.	H	α-helix	trans	-69	-36.7	175.1	-170.6	159.2	-137.9	0	0	112	L273 R278 N297 S302 T303	L273-E299 HydrophobicContact CD2-CB 4.33Å; R278-E299 IonicContact CZ-OE1 2.66Å; R278-E299 IonicContact NE-OE1 2.66Å; R278-E299 IonicContact NH2-OE1 3.35Å; R278-E299 PolarHBondContact NH2-OE1 3.18Å; N297-E299 VanDerWaalsContact C-N 3.31Å; N297-E299 PolarHBondContact O-N 2.95Å; E299-S302 PolarHBondContact O-N 3.03Å; E299-T303 WeakPolarHBondContact O-CB 3.49Å; E299-T303 PolarHBondContact O-N 2.92Å; E299-T303 PolarHBondContact O-OG1 2.81Å
300	E	86.2	Confident	84.1	Confident	114 Å²	114	39.7 Å²	39.7	53%	0.533	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-45.8	170.6	-60.7	176.9	-171.3	0	0	111.1	N297 S302 T303 F304 L339	N297-E300 HydrophobicContact CB-CB 4.38Å; N297-E300 HydrophobicContact CB-CG 4.4Å; N297-E300 WeakPolarHBondContact O-CB 3.24Å; N297-E300 PolarHBondContact O-N 3Å; E300-S302 PolarHBondContact O-N 3.12Å; E300-T303 PolarHBondContact O-N 3.4Å; E300-F304 WeakPolarHBondContact O-CB 3.35Å; E300-F304 PolarHBondContact O-N 3.49Å; E300-L339 HydrophobicContact CB-CD2 3.89Å; E300-L339 WeakPolarHBondContact OE2-CD2 3.39Å
301	I	87.9	Confident	84.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-43.4	175.6	-73	175.9	0	0	0	110.9	L269 N297 L298 T303 F304 Q305 L339 Y340 Y343	L269-I301 HydrophobicContact CD1-CG2 4.04Å; N297-I301 PolarHBondContact O-N 3.38Å; L298-I301 PolarHBondContact O-N 3.26Å; I301-T303 VanDerWaalsContact C-N 3.33Å; I301-T303 PolarHBondContact O-N 3.18Å; I301-F304 PolarHBondContact O-N 3.05Å; I301-Q305 WeakPolarHBondContact O-CB 3.49Å; I301-Q305 PolarHBondContact O-N 3.49Å; I301-L339 HydrophobicContact CG1-CB 4.13Å; I301-Y340 HydrophobicContact CG2-CE2 4.39Å; I301-Y343 VanDerWaalsContact CD1-CB 3.46Å; I301-Y343 HydrophobicContact CD1-CD1 4.14Å; I301-Y343 HydrophobicContact CD1-CD2 4.06Å; I301-Y343 HydrophobicContact CD1-CG 3.63Å
302	S	86.6	Confident	84.7	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-36.7	178.2	-174.2	0	0	0	0	112.3	L298 E299 E300 Q305 Q306	L298-S302 WeakPolarHBondContact O-CB 3.41Å; L298-S302 PolarHBondContact O-N 3.47Å; E299-S302 PolarHBondContact O-N 3.03Å; E300-S302 PolarHBondContact O-N 3.12Å; S302-Q305 PolarHBondContact O-N 3.49Å; S302-Q306 VanDerWaalsContact O-CG 3.3Å; S302-Q306 WeakPolarHBondContact O-CG 3.46Å; S302-Q306 PolarHBondContact O-N 3.03Å; S302-Q306 PolarHBondContact OG-NE2 2.64Å
303	T	89.4	Confident	85	Confident	76 Å²	76	39.8 Å²	39.8	47%	0.466	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-45.8	176.2	-55.5	0	0	0	0	110.9	E299 E300 I301 Q305 Q306 M307	E299-T303 WeakPolarHBondContact O-CB 3.49Å; E299-T303 PolarHBondContact O-N 2.92Å; E299-T303 PolarHBondContact O-OG1 2.81Å; E300-T303 PolarHBondContact O-N 3.4Å; I301-T303 VanDerWaalsContact C-N 3.33Å; I301-T303 PolarHBondContact O-N 3.18Å; T303-Q305 VanDerWaalsContact C-N 3.29Å; T303-Q305 PolarHBondContact O-N 2.89Å; T303-Q306 PolarHBondContact O-N 3.37Å; T303-M307 WeakPolarHBondContact O-CG 3.41Å; T303-M307 PolarHBondContact O-N 2.87Å
304	F	90	Very high	85.1	Confident	18 Å²	18	42.7 Å²	42.7	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-41.9	171.8	174.6	-96.1	0	0	0	111.6	E300 I301 M307 L308 L332 Q335 M336 L339	E300-F304 WeakPolarHBondContact O-CB 3.35Å; E300-F304 PolarHBondContact O-N 3.49Å; I301-F304 PolarHBondContact O-N 3.05Å; F304-M307 PolarHBondContact O-N 3.02Å; F304-L308 HydrophobicContact CE1-CD1 3.81Å; F304-L308 HydrophobicContact CZ-CD1 4.11Å; F304-L308 WeakPolarHBondContact O-CB 3.4Å; F304-L308 PolarHBondContact O-N 2.63Å; F304-L332 HydrophobicContact CE2-CD2 4.28Å; F304-L332 HydrophobicContact CZ-CB 4.33Å; F304-Q335 HydrophobicContact CE2-CB 3.95Å; F304-M336 HydrophobicContact CE1-CB 3.99Å; F304-M336 HydrophobicContact CE1-CG 3.86Å; F304-M336 HydrophobicContact CE1-SD 4.42Å; F304-M336 HydrophobicContact CZ-CB 3.74Å; F304-M336 HydrophobicContact CZ-CG 4.14Å; F304-L339 HydrophobicContact CB-CD1 3.53Å; F304-L339 HydrophobicContact CD1-CD1 4.22Å; F304-L339 HydrophobicContact CD2-CD1 3.8Å; F304-L339 HydrophobicContact CG-CD1 3.58Å
305	Q	88.1	Confident	85	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-39.7	-179.9	-165.8	58.3	50.3	0	0	112.4	E262 Y265 L269 I301 S302 T303 L308 V309	E262-Q305 PolarHBondContact OE1-NE2 3.46Å; Y265-Q305 HydrophobicContact CD1-CG 3.77Å; Y265-Q305 VanDerWaalsContact CE1-CD 3.47Å; Y265-Q305 HydrophobicContact CE1-CG 3.77Å; Y265-Q305 VanDerWaalsContact CE1-OE1 3.29Å; L269-Q305 HydrophobicContact CD1-CB 4.13Å; L269-Q305 HydrophobicContact CD1-CG 4.17Å; I301-Q305 WeakPolarHBondContact O-CB 3.49Å; I301-Q305 PolarHBondContact O-N 3.49Å; S302-Q305 PolarHBondContact O-N 3.49Å; T303-Q305 VanDerWaalsContact C-N 3.29Å; T303-Q305 PolarHBondContact O-N 2.89Å; Q305-L308 PolarHBondContact O-N 3.02Å; Q305-V309 WeakPolarHBondContact O-CG2 3.11Å; Q305-V309 PolarHBondContact O-N 3.09Å
306	Q	89.4	Confident	85	Confident	59 Å²	59	44.1 Å²	44.1	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-43.5	173.5	-71.7	170.7	28.3	0	0	111.6	S266 S302 T303 L308 V309 Q310	S266-Q306 VanDerWaalsContact OG-CG 3.24Å; S266-Q306 WeakPolarHBondContact OG-CG 3.31Å; S302-Q306 VanDerWaalsContact O-CG 3.3Å; S302-Q306 WeakPolarHBondContact O-CG 3.46Å; S302-Q306 PolarHBondContact O-N 3.03Å; S302-Q306 PolarHBondContact OG-NE2 2.64Å; T303-Q306 PolarHBondContact O-N 3.37Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 3.01Å; Q306-V309 PolarHBondContact O-N 2.97Å; Q306-Q310 WeakPolarHBondContact O-CG 3.45Å; Q306-Q310 PolarHBondContact O-N 3.21Å
307	M	89.1	Confident	84.8	Confident	105 Å²	105	49.3 Å²	49.3	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-38.7	175.1	-72	-58.8	-54.1	0	0	112.3	T303 F304 S311	T303-M307 WeakPolarHBondContact O-CG 3.41Å; T303-M307 PolarHBondContact O-N 2.87Å; F304-M307 PolarHBondContact O-N 3.02Å; M307-S311 WeakPolarHBondContact O-CB 3.41Å; M307-S311 PolarHBondContact O-N 2.93Å; M307-S311 PolarHBondContact O-OG 3.31Å
308	L	87.9	Confident	84.3	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-46.9	175.8	-173.1	162.6	0	0	0	110.6	E262 F304 Q305 Q306 Q310 S311 L312 F328 F329 L332	E262-L308 HydrophobicContact CG-CD2 3.78Å; E262-L308 WeakPolarHBondContact OE1-CD2 3.07Å; F304-L308 HydrophobicContact CE1-CD1 3.81Å; F304-L308 HydrophobicContact CZ-CD1 4.11Å; F304-L308 WeakPolarHBondContact O-CB 3.4Å; F304-L308 PolarHBondContact O-N 2.63Å; Q305-L308 PolarHBondContact O-N 3.02Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 3.01Å; L308-Q310 PolarHBondContact O-N 3.41Å; L308-S311 PolarHBondContact O-N 3.01Å; L308-L312 WeakPolarHBondContact O-CB 3.33Å; L308-L312 PolarHBondContact O-N 3.2Å; L308-F328 HydrophobicContact CG-CZ 4.48Å; L308-F329 HydrophobicContact CD1-CE1 4.45Å; L308-F329 HydrophobicContact CD2-CE1 4.4Å; L308-L332 HydrophobicContact CD1-CD1 4.23Å; L308-L332 HydrophobicContact CG-CD1 4.02Å
309	V	88.1	Confident	83.4	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-48.1	175.5	170.7	0	0	0	0	111.2	L259 E262 T263 Q305 Q306 S311 L312 E313	L259-V309 HydrophobicContact CD1-CG1 4.46Å; E262-V309 HydrophobicContact CB-CG2 4.09Å; E262-V309 HydrophobicContact CG-CG2 3.62Å; T263-V309 WeakPolarHBondContact OG1-CG1 3.33Å; Q305-V309 WeakPolarHBondContact O-CG2 3.11Å; Q305-V309 PolarHBondContact O-N 3.09Å; Q306-V309 PolarHBondContact O-N 2.97Å; V309-S311 PolarHBondContact O-N 3.33Å; V309-L312 PolarHBondContact O-N 3.11Å; V309-E313 WeakPolarHBondContact O-CG 3.45Å; V309-E313 PolarHBondContact O-N 3.15Å
310	Q	87.3	Confident	82.2	Confident	106 Å²	106	56.2 Å²	56.2	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-46.1	178.3	-72.1	177.5	13.3	0	0	112.1	Q306 L308 L312 E313 E314	Q306-Q310 WeakPolarHBondContact O-CG 3.45Å; Q306-Q310 PolarHBondContact O-N 3.21Å; L308-Q310 PolarHBondContact O-N 3.41Å; Q310-L312 VanDerWaalsContact C-N 3.31Å; Q310-L312 PolarHBondContact O-N 3.28Å; Q310-E313 WeakPolarHBondContact O-CB 3.48Å; Q310-E313 PolarHBondContact O-N 3.4Å; Q310-E314 WeakPolarHBondContact O-CG 3.45Å; Q310-E314 PolarHBondContact O-N 3.41Å
311	S	85.3	Confident	80.8	Confident	37 Å²	37	55.9 Å²	55.9	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-33.5	178.8	-50.9	0	0	0	0	112.2	M307 L308 V309 E314 S315 F328	M307-S311 WeakPolarHBondContact O-CB 3.41Å; M307-S311 PolarHBondContact O-N 2.93Å; M307-S311 PolarHBondContact O-OG 3.31Å; L308-S311 PolarHBondContact O-N 3.01Å; V309-S311 PolarHBondContact O-N 3.33Å; S311-E314 PolarHBondContact O-N 2.99Å; S311-S315 PolarHBondContact O-N 3.26Å; S311-F328 VanDerWaalsContact CB-CE2 3.47Å
312	L	83.3	Confident	79.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-43.3	174.3	-172.7	66.8	0	0	0	110.6	I258 L259 L308 V309 Q310 E314 S315 T316 F328 F329	I258-L312 HydrophobicContact CG2-CD2 4.22Å; L259-L312 HydrophobicContact CB-CD2 4.39Å; L259-L312 HydrophobicContact CD1-CB 4.28Å; L259-L312 HydrophobicContact CD1-CD2 3.97Å; L259-L312 HydrophobicContact CD1-CG 4.08Å; L308-L312 WeakPolarHBondContact O-CB 3.33Å; L308-L312 PolarHBondContact O-N 3.2Å; V309-L312 PolarHBondContact O-N 3.11Å; Q310-L312 VanDerWaalsContact C-N 3.31Å; Q310-L312 PolarHBondContact O-N 3.28Å; L312-E314 VanDerWaalsContact C-N 3.3Å; L312-E314 PolarHBondContact O-N 3.18Å; L312-S315 PolarHBondContact O-N 3.42Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 2.85Å; L312-T316 WeakPolarHBondContact O-CG2 3.4Å; L312-T316 PolarHBondContact O-N 3.17Å; L312-F328 HydrophobicContact CB-CE1 4.26Å; L312-F328 HydrophobicContact CB-CZ 4.41Å; L312-F328 HydrophobicContact CD1-CD1 4.35Å; L312-F328 HydrophobicContact CD1-CE1 4Å; L312-F329 HydrophobicContact CD1-CZ 4.42Å
313	E	84.9	Confident	78.7	Confident	69 Å²	69	61.9 Å²	61.9	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-37.6	171.5	-74.9	-166.5	-168.3	0	0	112.9	L259 V309 Q310 T316 K317	L259-E313 HydrophobicContact CD1-CG 3.69Å; L259-E313 HydrophobicContact CD2-CG 4.14Å; L259-E313 HydrophobicContact CG-CG 4.44Å; V309-E313 WeakPolarHBondContact O-CG 3.45Å; V309-E313 PolarHBondContact O-N 3.15Å; Q310-E313 WeakPolarHBondContact O-CB 3.48Å; Q310-E313 PolarHBondContact O-N 3.4Å; E313-T316 PolarHBondContact O-OG1 3.24Å; E313-T316 VanDerWaalsContact O-OG1 3.08Å; E313-K317 WeakPolarHBondContact O-CD 3.36Å; E313-K317 VanDerWaalsContact O-CE 3.27Å; E313-K317 WeakPolarHBondContact O-CE 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.25Å; E313-K317 PolarHBondContact O-N 2.99Å; E313-K317 IonicContact OE2-NZ 2.94Å; E313-K317 PolarHBondContact OE2-NZ 3.09Å
314	E	83.1	Confident	77.8	Confident	129 Å²	129	64.8 Å²	64.8	60%	0.603	33%	0.326	S	S	*	.	H	α-helix	trans	-66.2	-40.4	173.8	-73.5	179.4	178.3	0	0	110.9	Q310 S311 L312 T316 K317 L318	Q310-E314 WeakPolarHBondContact O-CG 3.45Å; Q310-E314 PolarHBondContact O-N 3.41Å; S311-E314 PolarHBondContact O-N 2.99Å; L312-E314 VanDerWaalsContact C-N 3.3Å; L312-E314 PolarHBondContact O-N 3.18Å; E314-T316 PolarHBondContact O-N 3.19Å; E314-K317 PolarHBondContact O-N 3.22Å; E314-L318 PolarHBondContact O-N 3.48Å
315	S	75.1	Confident	77.2	Confident	16 Å²	16	64 Å²	64	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-36	176.6	81.2	0	0	0	0	113.5	S311 L312 K317 L318	S311-S315 PolarHBondContact O-N 3.26Å; L312-S315 PolarHBondContact O-N 3.42Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 2.85Å; S315-K317 VanDerWaalsContact C-N 3.32Å; S315-L318 PolarHBondContact O-N 2.66Å
316	T	75.5	Confident	76.6	Confident	40 Å²	40	64 Å²	64	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-75.1	-20.8	177	59.5	0	0	0	0	113.2	L255 L259 L312 E313 E314 L318 Q323	L255-T316 HydrophobicContact CD1-CG2 4.17Å; L255-T316 HydrophobicContact CD2-CG2 3.9Å; L255-T316 HydrophobicContact CG-CG2 3.76Å; L259-T316 HydrophobicContact CD2-CG2 4.46Å; L312-T316 WeakPolarHBondContact O-CG2 3.4Å; L312-T316 PolarHBondContact O-N 3.17Å; E313-T316 PolarHBondContact O-OG1 3.24Å; E313-T316 VanDerWaalsContact O-OG1 3.08Å; E314-T316 PolarHBondContact O-N 3.19Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-Q323 PolarHBondContact O-NE2 3.39Å
317	K	75.7	Confident	76.2	Confident	142 Å²	142	62.2 Å²	62.2	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-77.6	-15.2	173.2	-69.7	159.4	-161.8	160.5	0	112.9	E313 E314 S315	E313-K317 WeakPolarHBondContact O-CD 3.36Å; E313-K317 VanDerWaalsContact O-CE 3.27Å; E313-K317 WeakPolarHBondContact O-CE 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.25Å; E313-K317 PolarHBondContact O-N 2.99Å; E313-K317 IonicContact OE2-NZ 2.94Å; E313-K317 PolarHBondContact OE2-NZ 3.09Å; E314-K317 PolarHBondContact O-N 3.22Å; S315-K317 VanDerWaalsContact C-N 3.32Å
318	L	71.9	Confident	75.9	Confident	82 Å²	82	59.1 Å²	59.1	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-77.8	152	177.3	-68.2	173.8	0	0	0	112.1	E314 S315 T316 Q323	E314-L318 PolarHBondContact O-N 3.48Å; S315-L318 PolarHBondContact O-N 2.66Å; T316-L318 VanDerWaalsContact C-N 3.33Å; L318-Q323 PolarHBondContact O-NE2 2.94Å
319	P	62.5	Low	75.7	Confident	78 Å²	78	59.2 Å²	59.2	51%	0.506	30%	0.301	S	S	.	.			trans	-58.9	144.6	176.1	-22.6	33.6	0	0	0	112.6	S321 Q322 Q323	P319-S321 PolarHBondContact O-N 3.38Å; P319-Q322 PolarHBondContact O-N 3.46Å; P319-Q323 PolarHBondContact O-N 3.27Å
320	E	59.1	Low	75.5	Confident	94 Å²	94	60.2 Å²	60.2	44%	0.439	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-49.7	-36.3	-174	-60.9	-175.9	147.1	0	0	114	N252 Q322 Q323	N252-E320 PolarHBondContact ND2-OE1 3.35Å; E320-Q322 PolarHBondContact O-N 3.14Å; E320-Q322 VanDerWaalsContact O-N 3.16Å; E320-Q323 PolarHBondContact O-N 2.75Å
321	S	57.3	Low	75.5	Confident	107 Å²	107	61 Å²	61	75%	0.748	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-69	-8.3	178	58.1	0	0	0	0	115.3	P319	P319-S321 PolarHBondContact O-N 3.38Å
322	Q	61.1	Low	75.5	Confident	122 Å²	122	60.6 Å²	60.6	57%	0.57	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-117.8	-3.6	177.9	-60.5	-175.6	3.3	0	0	112.8	P319 E320 R324	P319-Q322 PolarHBondContact O-N 3.46Å; E320-Q322 PolarHBondContact O-N 3.14Å; E320-Q322 VanDerWaalsContact O-N 3.16Å; Q322-R324 PolarHBondContact O-N 2.8Å
323	Q	68.3	Low	75.6	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.033	31%	0.313	C	S	.	.			trans	-72.4	90.5	178.5	-68.6	-174.7	-2.6	0	0	110.7	T316 L318 P319 E320	T316-Q323 PolarHBondContact O-NE2 3.39Å; L318-Q323 PolarHBondContact O-NE2 2.94Å; P319-Q323 PolarHBondContact O-N 3.27Å; E320-Q323 PolarHBondContact O-N 2.75Å
324	R	71.8	Confident	75.7	Confident	137 Å²	137	62.5 Å²	62.5	52%	0.517	32%	0.324	S	S	.	.			trans	-105.5	72.5	176.9	-58.5	-147	-65	171.2	-1.5	111.8	Q322 S327 F328 D409	Q322-R324 PolarHBondContact O-N 2.8Å; R324-S327 PolarHBondContact O-N 2.92Å; R324-F328 WeakPolarHBondContact O-CB 3.42Å; R324-F328 PolarHBondContact O-N 2.93Å; R324-D409 WeakPolarHBondContact CA-OD1 3.28Å
325	V	76	Confident	75.9	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-38	-176.6	-179	0	0	0	0	111.2	L255 F328 F329 L399 D409	L255-V325 HydrophobicContact CD1-CG1 4.47Å; L255-V325 HydrophobicContact CD1-CG2 4.04Å; V325-F328 WeakPolarHBondContact O-CB 3.31Å; V325-F328 PolarHBondContact O-N 3.43Å; V325-F329 HydrophobicContact CG1-CD2 3.77Å; V325-F329 HydrophobicContact CG1-CE2 3.56Å; V325-F329 VanDerWaalsContact O-CD2 3.25Å; V325-F329 WeakPolarHBondContact O-CD2 3.23Å; V325-F329 PolarHBondContact O-N 2.93Å; V325-L399 HydrophobicContact CB-CD2 4.49Å; V325-L399 HydrophobicContact CG1-CD2 4.1Å; V325-D409 PolarHBondContact N-OD2 3.39Å
326	G	76.3	Confident	76.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-52.1	173.9	0	0	0	0	0	112.4	F328 F329 L330 D409	G326-F328 VanDerWaalsContact C-N 3.3Å; G326-F328 PolarHBondContact O-N 3.46Å; G326-F329 PolarHBondContact O-N 3.35Å; G326-L330 WeakPolarHBondContact O-CB 3.35Å; G326-L330 WeakPolarHBondContact O-CG 3.41Å; G326-L330 PolarHBondContact O-N 3.24Å; G326-D409 WeakPolarHBondContact CA-OD1 3.42Å; G326-D409 VanDerWaalsContact N-CG 3.32Å; G326-D409 PolarHBondContact N-OD1 3.42Å; G326-D409 VanDerWaalsContact N-OD1 3.13Å; G326-D409 PolarHBondContact N-OD2 2.74Å
327	S	80.6	Confident	77	Confident	22 Å²	22	63.4 Å²	63.4	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-55.9	-41.6	172.6	-93.8	0	0	0	0	112.5	R324 L330 N331 D409 D412	R324-S327 PolarHBondContact O-N 2.92Å; S327-L330 PolarHBondContact O-N 3.49Å; S327-N331 PolarHBondContact O-N 3.1Å; S327-N331 VanDerWaalsContact O-N 3.1Å; S327-N331 PolarHBondContact O-ND2 3.48Å; S327-D409 PolarHBondContact N-OD1 2.79Å; S327-D409 VanDerWaalsContact N-OD1 3.1Å; S327-D412 PolarHBondContact OG-OD2 3.47Å
328	F	83.8	Confident	77.6	Confident	39 Å²	39	60 Å²	60	17%	0.171	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-53.4	177.6	165.7	-105	0	0	0	112.4	L308 S311 L312 R324 V325 G326 L330 N331 L332	L308-F328 HydrophobicContact CG-CZ 4.48Å; S311-F328 VanDerWaalsContact CB-CE2 3.47Å; L312-F328 HydrophobicContact CB-CE1 4.26Å; L312-F328 HydrophobicContact CB-CZ 4.41Å; L312-F328 HydrophobicContact CD1-CD1 4.35Å; L312-F328 HydrophobicContact CD1-CE1 4Å; R324-F328 WeakPolarHBondContact O-CB 3.42Å; R324-F328 PolarHBondContact O-N 2.93Å; V325-F328 WeakPolarHBondContact O-CB 3.31Å; V325-F328 PolarHBondContact O-N 3.43Å; G326-F328 VanDerWaalsContact C-N 3.3Å; G326-F328 PolarHBondContact O-N 3.46Å; F328-L330 VanDerWaalsContact C-N 3.31Å; F328-L330 PolarHBondContact O-N 2.88Å; F328-N331 PolarHBondContact O-N 3.44Å; F328-L332 HydrophobicContact CD1-CD1 4.5Å; F328-L332 HydrophobicContact CD2-CD1 4.26Å; F328-L332 HydrophobicContact CE1-CD1 3.84Å; F328-L332 HydrophobicContact CE2-CD1 3.54Å; F328-L332 HydrophobicContact CE2-CG 4.29Å; F328-L332 HydrophobicContact CZ-CD1 3.32Å; F328-L332 HydrophobicContact CZ-CG 4.47Å; F328-L332 PolarHBondContact O-N 3.03Å
329	F	83.9	Confident	78.3	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-33.2	178.1	-77.4	-66.6	0	0	0	112.8	L308 L312 V325 G326 N331 L332 M333 L396 C416 F420	L308-F329 HydrophobicContact CD1-CE1 4.45Å; L308-F329 HydrophobicContact CD2-CE1 4.4Å; L312-F329 HydrophobicContact CD1-CZ 4.42Å; V325-F329 HydrophobicContact CG1-CD2 3.77Å; V325-F329 HydrophobicContact CG1-CE2 3.56Å; V325-F329 VanDerWaalsContact O-CD2 3.25Å; V325-F329 WeakPolarHBondContact O-CD2 3.23Å; V325-F329 PolarHBondContact O-N 2.93Å; G326-F329 PolarHBondContact O-N 3.35Å; F329-N331 VanDerWaalsContact C-N 3.31Å; F329-N331 PolarHBondContact O-N 3.31Å; F329-L332 PolarHBondContact O-N 3.01Å; F329-M333 WeakPolarHBondContact O-CB 3.47Å; F329-M333 WeakPolarHBondContact O-CG 3.29Å; F329-M333 PolarHBondContact O-N 3.38Å; F329-L396 HydrophobicContact CD2-CD2 4.09Å; F329-L396 HydrophobicContact CE2-CD2 4.16Å; F329-C416 WeakPolarHBondContact CB-SG 3.48Å; F329-F420 HydrophobicContact CB-CE2 4.08Å; F329-F420 HydrophobicContact CD1-CE2 4.12Å; F329-F420 AromaticContact CD1-CZ 3.96Å; F329-F420 HydrophobicContact CD1-CZ 3.96Å; F329-F420 HydrophobicContact CG-CE2 4.19Å; F329-F420 HydrophobicContact CG-CZ 4.49Å
330	L	83.9	Confident	79.5	Confident	31 Å²	31	53.9 Å²	53.9	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-33.5	174	-76.1	175.1	0	0	0	113.1	G326 S327 F328 D412 K415 C416	G326-L330 WeakPolarHBondContact O-CB 3.35Å; G326-L330 WeakPolarHBondContact O-CG 3.41Å; G326-L330 PolarHBondContact O-N 3.24Å; S327-L330 PolarHBondContact O-N 3.49Å; F328-L330 VanDerWaalsContact C-N 3.31Å; F328-L330 PolarHBondContact O-N 2.88Å; L330-D412 HydrophobicContact CD1-CB 3.94Å; L330-K415 HydrophobicContact CD1-CB 4.34Å; L330-K415 HydrophobicContact CD1-CD 4.07Å; L330-K415 HydrophobicContact CD1-CG 4.35Å; L330-K415 HydrophobicContact CD2-CD 4.45Å; L330-K415 HydrophobicContact CD2-CG 4.12Å; L330-C416 HydrophobicContact CD2-CB 4.04Å; L330-C416 HydrophobicContact CG-CB 4.03Å
331	N	85.9	Confident	80.8	Confident	124 Å²	124	51 Å²	51	66%	0.663	27%	0.273	S	S	*	.	H	α-helix	trans	-73.8	-31.8	175.7	-70.2	-25.5	0	0	0	112.6	S327 F328 F329 P334	S327-N331 PolarHBondContact O-N 3.1Å; S327-N331 VanDerWaalsContact O-N 3.1Å; S327-N331 PolarHBondContact O-ND2 3.48Å; F328-N331 PolarHBondContact O-N 3.44Å; F329-N331 VanDerWaalsContact C-N 3.31Å; F329-N331 PolarHBondContact O-N 3.31Å; N331-P334 WeakPolarHBondContact O-CD 3.43Å
332	L	85.3	Confident	82.2	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.147	25%	0.25	C	C	.	.	H	α-helix	trans	-83	-24.8	177	-69	179.4	0	0	0	113.9	F304 L308 F328 F329 P334 Q335 M336	F304-L332 HydrophobicContact CE2-CD2 4.28Å; F304-L332 HydrophobicContact CZ-CB 4.33Å; L308-L332 HydrophobicContact CD1-CD1 4.23Å; L308-L332 HydrophobicContact CG-CD1 4.02Å; F328-L332 HydrophobicContact CD1-CD1 4.5Å; F328-L332 HydrophobicContact CD2-CD1 4.26Å; F328-L332 HydrophobicContact CE1-CD1 3.84Å; F328-L332 HydrophobicContact CE2-CD1 3.54Å; F328-L332 HydrophobicContact CE2-CG 4.29Å; F328-L332 HydrophobicContact CZ-CD1 3.32Å; F328-L332 HydrophobicContact CZ-CG 4.47Å; F328-L332 PolarHBondContact O-N 3.03Å; F329-L332 PolarHBondContact O-N 3.01Å; L332-P334 VanDerWaalsContact C-CD 3.44Å; L332-P334 VanDerWaalsContact C-N 3.34Å; L332-Q335 PolarHBondContact O-N 3.23Å; L332-M336 PolarHBondContact O-N 3.1Å
333	M	85.3	Confident	83.4	Confident	22 Å²	22	41.6 Å²	41.6	11%	0.108	22%	0.224	C	C	.	.	H	α-helix	trans	-45.4	-43.9	-179.4	-105.3	-67.6	-48.4	0	0	115	F329 K337 F420 L423	F329-M333 WeakPolarHBondContact O-CB 3.47Å; F329-M333 WeakPolarHBondContact O-CG 3.29Å; F329-M333 PolarHBondContact O-N 3.38Å; M333-K337 VanDerWaalsContact O-CB 3.24Å; M333-K337 WeakPolarHBondContact O-CB 3.35Å; M333-K337 PolarHBondContact O-N 2.56Å; M333-F420 HydrophobicContact SD-CD1 4.41Å; M333-F420 HydrophobicContact SD-CG 4.46Å; M333-L423 HydrophobicContact CE-CB 4.24Å; M333-L423 HydrophobicContact CE-CD2 4.22Å; M333-L423 HydrophobicContact SD-CB 4.5Å; M333-L423 HydrophobicContact SD-CD2 3.97Å
334	P	87.6	Confident	84.1	Confident	86 Å²	86	41.3 Å²	41.3	56%	0.558	22%	0.223	S	C	*	.	H	α-helix	trans	-65.2	-40.7	178.4	-23	34.9	0	0	0	113.6	N331 L332 A338	N331-P334 WeakPolarHBondContact O-CD 3.43Å; L332-P334 VanDerWaalsContact C-CD 3.44Å; L332-P334 VanDerWaalsContact C-N 3.34Å; P334-A338 PolarHBondContact O-N 3.29Å; P334-A338 VanDerWaalsContact O-N 3.16Å
335	Q	87.3	Confident	84.8	Confident	115 Å²	115	36.1 Å²	36.1	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-68.5	-46.6	177.7	-60.9	-178.1	13.2	0	0	110.3	F304 L332 K337 A338 L339	F304-Q335 HydrophobicContact CE2-CB 3.95Å; L332-Q335 PolarHBondContact O-N 3.23Å; Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 3.03Å; Q335-A338 PolarHBondContact O-N 3.47Å; Q335-L339 WeakPolarHBondContact O-CG 3.31Å; Q335-L339 PolarHBondContact O-N 3.35Å; Q335-L339 VanDerWaalsContact O-N 3.1Å
336	M	86.2	Confident	85.2	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-43	176.4	-165.2	177.7	-173.5	0	0	111.6	F304 L332 A338 L339 Y340 L389 Y392 F420 L423	F304-M336 HydrophobicContact CE1-CB 3.99Å; F304-M336 HydrophobicContact CE1-CG 3.86Å; F304-M336 HydrophobicContact CE1-SD 4.42Å; F304-M336 HydrophobicContact CZ-CB 3.74Å; F304-M336 HydrophobicContact CZ-CG 4.14Å; L332-M336 PolarHBondContact O-N 3.1Å; M336-A338 PolarHBondContact O-N 3.37Å; M336-L339 PolarHBondContact O-N 2.77Å; M336-Y340 HydrophobicContact CE-CD2 4.09Å; M336-Y340 HydrophobicContact CE-CE1 4.31Å; M336-Y340 HydrophobicContact CE-CE2 3.53Å; M336-Y340 HydrophobicContact CG-CD2 3.55Å; M336-Y340 HydrophobicContact CG-CE2 3.68Å; M336-Y340 HydrophobicContact CG-CG 4.46Å; M336-Y340 WeakPolarHBondContact O-CB 3.29Å; M336-Y340 VanDerWaalsContact O-CD2 3.32Å; M336-Y340 WeakPolarHBondContact O-CD2 3.38Å; M336-Y340 PolarHBondContact O-N 3.31Å; M336-L389 HydrophobicContact CE-CD1 3.96Å; M336-Y392 HydrophobicContact CE-CD2 4.18Å; M336-Y392 HydrophobicContact CE-CE2 3.5Å; M336-F420 HydrophobicContact CE-CE1 4.01Å; M336-F420 HydrophobicContact SD-CE1 3.56Å; M336-F420 VanDerWaalsContact SD-CE1 3.56Å; M336-F420 HydrophobicContact SD-CZ 4.05Å; M336-L423 HydrophobicContact CG-CD2 4.33Å
337	K	87.1	Confident	85.6	Confident	87 Å²	87	39.1 Å²	39.1	38%	0.378	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-47.7	175.8	171.4	166.7	168.9	167.6	0	111.9	M333 Q335 V341 L423	M333-K337 VanDerWaalsContact O-CB 3.24Å; M333-K337 WeakPolarHBondContact O-CB 3.35Å; M333-K337 PolarHBondContact O-N 2.56Å; Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 3.03Å; K337-V341 HydrophobicContact CG-CG2 4.24Å; K337-V341 VanDerWaalsContact O-CB 3.25Å; K337-V341 WeakPolarHBondContact O-CB 3.41Å; K337-V341 WeakPolarHBondContact O-CG2 3.45Å; K337-V341 PolarHBondContact O-N 3.47Å; K337-L423 HydrophobicContact CB-CD1 3.84Å; K337-L423 HydrophobicContact CB-CD2 4.37Å; K337-L423 HydrophobicContact CG-CD1 3.88Å
338	A	87.9	Confident	85.9	Confident	70 Å²	70	38.6 Å²	38.6	58%	0.579	22%	0.22	S	C	*	.	H	α-helix	trans	-60.3	-48.3	179.6	0	0	0	0	0	111.9	P334 Q335 M336 G342	P334-A338 PolarHBondContact O-N 3.29Å; P334-A338 VanDerWaalsContact O-N 3.16Å; Q335-A338 PolarHBondContact O-N 3.47Å; M336-A338 PolarHBondContact O-N 3.37Å; A338-G342 PolarHBondContact O-N 2.92Å; A338-G342 VanDerWaalsContact O-N 3.14Å
339	L	88	Confident	85.8	Confident	32 Å²	32	38.4 Å²	38.4	17%	0.168	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-49.3	-178.8	-66.7	173.1	0	0	0	112.6	N297 E300 I301 F304 Q335 M336 G342 Y343	N297-L339 PolarHBondContact ND2-O 2.74Å; E300-L339 HydrophobicContact CB-CD2 3.89Å; E300-L339 WeakPolarHBondContact OE2-CD2 3.39Å; I301-L339 HydrophobicContact CG1-CB 4.13Å; F304-L339 HydrophobicContact CB-CD1 3.53Å; F304-L339 HydrophobicContact CD1-CD1 4.22Å; F304-L339 HydrophobicContact CD2-CD1 3.8Å; F304-L339 HydrophobicContact CG-CD1 3.58Å; Q335-L339 WeakPolarHBondContact O-CG 3.31Å; Q335-L339 PolarHBondContact O-N 3.35Å; Q335-L339 VanDerWaalsContact O-N 3.1Å; M336-L339 PolarHBondContact O-N 2.77Å; L339-G342 PolarHBondContact O-N 2.95Å; L339-Y343 PolarHBondContact O-N 2.63Å
340	Y	86.9	Confident	85.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-35.9	-176.7	-83	-105	0	0	0	112.5	Y265 I301 M336 Y343 C344 P385 L389	Y265-Y340 PolarHBondContact OH-OH 2.84Å; I301-Y340 HydrophobicContact CG2-CE2 4.39Å; M336-Y340 HydrophobicContact CE-CD2 4.09Å; M336-Y340 HydrophobicContact CE-CE1 4.31Å; M336-Y340 HydrophobicContact CE-CE2 3.53Å; M336-Y340 HydrophobicContact CG-CD2 3.55Å; M336-Y340 HydrophobicContact CG-CE2 3.68Å; M336-Y340 HydrophobicContact CG-CG 4.46Å; M336-Y340 WeakPolarHBondContact O-CB 3.29Å; M336-Y340 VanDerWaalsContact O-CD2 3.32Å; M336-Y340 WeakPolarHBondContact O-CD2 3.38Å; M336-Y340 PolarHBondContact O-N 3.31Å; Y340-Y343 PolarHBondContact O-N 2.91Å; Y340-C344 WeakPolarHBondContact O-CB 3.31Å; Y340-C344 PolarHBondContact O-N 2.74Å; Y340-C344 PolarHBondContact O-SG 2.75Å; Y340-P385 HydrophobicContact CE1-CB 3.91Å; Y340-L389 HydrophobicContact CD1-CB 4.42Å; Y340-L389 HydrophobicContact CD1-CD1 4.48Å; Y340-L389 HydrophobicContact CD1-CD2 4.17Å; Y340-L389 HydrophobicContact CE1-CB 4.33Å
341	V	87	Confident	85.8	Confident	34 Å²	34	38.4 Å²	38.4	21%	0.206	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-37.7	174.1	170.9	0	0	0	0	111.5	K337 S345 L423 V430	K337-V341 HydrophobicContact CG-CG2 4.24Å; K337-V341 VanDerWaalsContact O-CB 3.25Å; K337-V341 WeakPolarHBondContact O-CB 3.41Å; K337-V341 WeakPolarHBondContact O-CG2 3.45Å; K337-V341 PolarHBondContact O-N 3.47Å; V341-S345 PolarHBondContact O-N 3.41Å; V341-S345 VanDerWaalsContact O-N 3.08Å; V341-S345 PolarHBondContact O-OG 3.35Å; V341-L423 HydrophobicContact CG2-CD1 4.25Å; V341-V430 HydrophobicContact CG1-CG1 4.5Å; V341-V430 HydrophobicContact CG1-CG2 4.29Å
342	G	85.7	Confident	85.7	Confident	25 Å²	25	34.5 Å²	34.5	26%	0.258	20%	0.204	S	C	.	.	H	α-helix	trans	-59.4	-45.1	170.8	0	0	0	0	0	112.2	A338 L339 S345 N346	A338-G342 PolarHBondContact O-N 2.92Å; A338-G342 VanDerWaalsContact O-N 3.14Å; L339-G342 PolarHBondContact O-N 2.95Å; G342-S345 WeakPolarHBondContact O-CB 3.31Å; G342-S345 PolarHBondContact O-N 3.3Å; G342-N346 PolarHBondContact O-N 2.92Å; G342-N346 PolarHBondContact O-ND2 3.14Å
343	Y	86.6	Confident	85.5	Confident	6 Å²	6	33.4 Å²	33.4	2%	0.024	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-44.1	178.8	-172	-111.2	0	0	0	112.9	N297 L298 I301 L339 Y340 S345 N346 H347 L382 P385 F386	N297-Y343 WeakPolarHBondContact OD1-CA 3.3Å; N297-Y343 VanDerWaalsContact OD1-CB 3.26Å; N297-Y343 WeakPolarHBondContact OD1-CB 3.48Å; N297-Y343 WeakPolarHBondContact OD1-CD2 3.34Å; N297-Y343 PolarHBondContact OD1-N 3.33Å; L298-Y343 HydrophobicContact CB-CE2 4.27Å; L298-Y343 HydrophobicContact CD1-CE2 3.87Å; I301-Y343 VanDerWaalsContact CD1-CB 3.46Å; I301-Y343 HydrophobicContact CD1-CD1 4.14Å; I301-Y343 HydrophobicContact CD1-CD2 4.06Å; I301-Y343 HydrophobicContact CD1-CG 3.63Å; L339-Y343 PolarHBondContact O-N 2.63Å; Y340-Y343 PolarHBondContact O-N 2.91Å; Y343-S345 PolarHBondContact O-N 3.39Å; Y343-N346 PolarHBondContact O-N 3.23Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; Y343-H347 WeakPolarHBondContact O-CB 2.97Å; Y343-H347 PolarHBondContact O-N 2.89Å; Y343-L382 WeakPolarHBondContact CE1-O 3.44Å; Y343-L382 VanDerWaalsContact OH-CA 3.23Å; Y343-L382 WeakPolarHBondContact OH-CA 3.48Å; Y343-L382 WeakPolarHBondContact OH-CB 3.45Å; Y343-L382 WeakPolarHBondContact OH-CD2 3.42Å; Y343-L382 PolarHBondContact OH-O 3.48Å; Y343-P385 HydrophobicContact CD1-CB 4.17Å; Y343-P385 HydrophobicContact CD1-CG 4.39Å; Y343-P385 HydrophobicContact CE1-CB 3.9Å; Y343-P385 HydrophobicContact CE1-CG 3.72Å; Y343-F386 AromaticContact CD1-CE1 3.49Å; Y343-F386 HydrophobicContact CD1-CE1 3.49Å; Y343-F386 VanDerWaalsContact CD1-CE1 3.49Å; Y343-F386 HydrophobicContact CD1-CE2 4.42Å; Y343-F386 AromaticContact CD1-CZ 3.43Å; Y343-F386 HydrophobicContact CD1-CZ 3.43Å; Y343-F386 VanDerWaalsContact CD1-CZ 3.43Å; Y343-F386 AromaticContact CE1-CE1 3.74Å; Y343-F386 HydrophobicContact CE1-CE1 3.74Å; Y343-F386 AromaticContact CE1-CE2 3.82Å; Y343-F386 HydrophobicContact CE1-CE2 3.82Å; Y343-F386 AromaticContact CE1-CZ 3.22Å; Y343-F386 HydrophobicContact CE1-CZ 3.22Å
344	C	84.1	Confident	85.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-30.3	172.3	-71.7	0	0	0	0	113.2	Y340 P348 F386 C427 V430	Y340-C344 WeakPolarHBondContact O-CB 3.31Å; Y340-C344 PolarHBondContact O-N 2.74Å; Y340-C344 PolarHBondContact O-SG 2.75Å; C344-P348 VanDerWaalsContact O-CD 3.31Å; C344-P348 WeakPolarHBondContact O-CD 3.27Å; C344-F386 HydrophobicContact CB-CE1 4.46Å; C344-F386 WeakPolarHBondContact SG-CE1 3.1Å; C344-C427 WeakPolarHBondContact SG-CB 3.38Å; C344-C427 PolarHBondContact SG-O 2.95Å; C344-C427 VanDerWaalsContact SG-SG 3.63Å; C344-V430 HydrophobicContact CB-CB 4.4Å; C344-V430 HydrophobicContact CB-CG1 3.98Å
345	S	85.2	Confident	85.1	Confident	28 Å²	28	33.7 Å²	33.7	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-73.7	-34.9	178.8	-58.8	0	0	0	0	112.6	V341 G342 Y343 V430	V341-S345 PolarHBondContact O-N 3.41Å; V341-S345 VanDerWaalsContact O-N 3.08Å; V341-S345 PolarHBondContact O-OG 3.35Å; G342-S345 WeakPolarHBondContact O-CB 3.31Å; G342-S345 PolarHBondContact O-N 3.3Å; Y343-S345 PolarHBondContact O-N 3.39Å; S345-V430 VanDerWaalsContact OG-CG1 3.29Å; S345-V430 WeakPolarHBondContact OG-CG1 3.34Å
346	N	85.2	Confident	84.8	Confident	62 Å²	62	33.9 Å²	33.9	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-89.9	-27.1	-176.8	-64.2	-22.6	0	0	0	113.1	G342 Y343 S349 A350	G342-N346 PolarHBondContact O-N 2.92Å; G342-N346 PolarHBondContact O-ND2 3.14Å; Y343-N346 PolarHBondContact O-N 3.23Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; N346-S349 WeakPolarHBondContact O-CB 3.2Å; N346-S349 PolarHBondContact O-N 3.23Å; N346-S349 VanDerWaalsContact O-N 3.1Å; N346-A350 PolarHBondContact O-N 3.45Å
347	H	85.3	Confident	84.5	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-43.2	-174.4	177.1	77.1	0	0	0	114.9	Y343 S349 A350 V351 L382 F386 R431 Y698	Y343-H347 WeakPolarHBondContact O-CB 2.97Å; Y343-H347 PolarHBondContact O-N 2.89Å; H347-S349 VanDerWaalsContact C-N 3.31Å; H347-S349 PolarHBondContact O-N 3.09Å; H347-A350 WeakPolarHBondContact O-CB 3.31Å; H347-A350 PolarHBondContact O-N 3.17Å; H347-V351 WeakPolarHBondContact NE2-CG2 3.2Å; H347-V351 VanDerWaalsContact O-CG2 3.31Å; H347-V351 WeakPolarHBondContact O-CG2 3.43Å; H347-V351 PolarHBondContact O-N 3.42Å; H347-L382 VanDerWaalsContact CE1-CB 3.45Å; H347-L382 WeakPolarHBondContact CE1-CB 3.4Å; H347-F386 HydrophobicContact CB-CE2 4.29Å; H347-F386 HydrophobicContact CB-CZ 3.67Å; H347-F386 AromaticContact CD2-CE2 3.68Å; H347-F386 AromaticContact CD2-CZ 3.86Å; H347-F386 AromaticContact CG-CE2 3.59Å; H347-F386 AromaticContact CG-CZ 3.48Å; H347-F386 VanDerWaalsContact CG-CZ 3.48Å; H347-F386 AromaticContact ND1-CE2 3.59Å; H347-F386 AromaticContact ND1-CZ 3.81Å; H347-R431 PolarHBondContact NE2-NH2 2.99Å; H347-Y698 AromaticContact CE1-CZ 3.6Å; H347-Y698 PolarHBondContact CE1-OH 2.89Å; H347-Y698 AromaticContact NE2-CD1 3.85Å; H347-Y698 AromaticContact NE2-CE1 2.97Å; H347-Y698 WeakPolarHBondContact NE2-CE1 3.46Å; H347-Y698 AromaticContact NE2-CE2 3.81Å; H347-Y698 AromaticContact NE2-CZ 2.97Å; H347-Y698 PolarHBondContact NE2-OH 3.11Å
348	P	85.6	Confident	84.1	Confident	11 Å²	11	33 Å²	33	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-39.7	175.1	-26	37.2	0	0	0	113	C344 V351 N352 R431 K434 E435 L438	C344-P348 VanDerWaalsContact O-CD 3.31Å; C344-P348 WeakPolarHBondContact O-CD 3.27Å; P348-V351 PolarHBondContact O-N 2.82Å; P348-N352 PolarHBondContact O-N 3.12Å; P348-R431 HydrophobicContact CG-CG 4.06Å; P348-K434 HydrophobicContact CB-CB 4.43Å; P348-K434 HydrophobicContact CG-CB 3.88Å; P348-E435 HydrophobicContact CB-CB 4.35Å; P348-E435 HydrophobicContact CG-CB 4.44Å; P348-L438 VanDerWaalsContact C-CD2 3.48Å; P348-L438 HydrophobicContact CB-CD2 4.24Å; P348-L438 WeakPolarHBondContact O-CD2 3.12Å
349	S	82.8	Confident	83.6	Confident	35 Å²	35	36.5 Å²	36.5	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-44.1	175.4	-54.8	0	0	0	0	111.5	N346 H347 V351 N352 V353	N346-S349 WeakPolarHBondContact O-CB 3.2Å; N346-S349 PolarHBondContact O-N 3.23Å; N346-S349 VanDerWaalsContact O-N 3.1Å; H347-S349 VanDerWaalsContact C-N 3.31Å; H347-S349 PolarHBondContact O-N 3.09Å; S349-V351 PolarHBondContact O-N 2.71Å; S349-N352 PolarHBondContact O-N 2.9Å; S349-V353 WeakPolarHBondContact O-CG2 3.07Å; S349-V353 PolarHBondContact O-N 3.23Å
350	A	84.1	Confident	83.1	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-47.9	173.3	0	0	0	0	0	111.5	L293 N346 H347 N352 V353 L354	L293-A350 WeakPolarHBondContact O-CB 3.48Å; N346-A350 PolarHBondContact O-N 3.45Å; H347-A350 WeakPolarHBondContact O-CB 3.31Å; H347-A350 PolarHBondContact O-N 3.17Å; A350-N352 VanDerWaalsContact C-N 3.34Å; A350-N352 PolarHBondContact O-N 3.48Å; A350-V353 PolarHBondContact O-N 3.13Å; A350-V353 VanDerWaalsContact O-N 3.14Å; A350-L354 WeakPolarHBondContact O-CG 3.33Å; A350-L354 PolarHBondContact O-N 3.19Å
351	V	83.2	Confident	82.5	Confident	32 Å²	32	37.4 Å²	37.4	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-38.4	179	171.8	0	0	0	0	112.4	H347 P348 S349 L354 T355 Y698	H347-V351 WeakPolarHBondContact NE2-CG2 3.2Å; H347-V351 VanDerWaalsContact O-CG2 3.31Å; H347-V351 WeakPolarHBondContact O-CG2 3.43Å; H347-V351 PolarHBondContact O-N 3.42Å; P348-V351 PolarHBondContact O-N 2.82Å; S349-V351 PolarHBondContact O-N 2.71Å; V351-L354 PolarHBondContact O-N 3.02Å; V351-T355 WeakPolarHBondContact O-CB 3.16Å; V351-T355 PolarHBondContact O-N 3.01Å; V351-T355 PolarHBondContact O-OG1 3.38Å; V351-Y698 HydrophobicContact CG1-CE1 4.05Å; V351-Y698 HydrophobicContact CG2-CE1 3.76Å; V351-Y698 WeakPolarHBondContact CG2-OH 3.41Å
352	N	82.9	Confident	81.9	Confident	41 Å²	41	40.6 Å²	40.6	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-43.9	173.2	170.8	74.6	0	0	0	111.9	P348 S349 A350 L354 T355 Q356 L438	P348-N352 PolarHBondContact O-N 3.12Å; S349-N352 PolarHBondContact O-N 2.9Å; A350-N352 VanDerWaalsContact C-N 3.34Å; A350-N352 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.34Å; N352-L354 PolarHBondContact O-N 2.92Å; N352-T355 WeakPolarHBondContact O-CB 3.43Å; N352-T355 PolarHBondContact O-N 2.78Å; N352-T355 VanDerWaalsContact O-N 3.11Å; N352-Q356 PolarHBondContact ND2-NE2 2.96Å; N352-Q356 WeakPolarHBondContact O-CG 3.42Å; N352-Q356 PolarHBondContact O-N 2.87Å; N352-Q356 PolarHBondContact OD1-NE2 3.44Å; N352-L438 HydrophobicContact CB-CD2 3.55Å; N352-L438 HydrophobicContact CB-CG 4.33Å
353	V	82.6	Confident	81.4	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-42.7	174.3	176.1	0	0	0	0	110.8	D290 L293 I294 S349 A350 T355 Q356 H357	D290-V353 HydrophobicContact CB-CG1 3.76Å; L293-V353 HydrophobicContact CD1-CG2 4.19Å; I294-V353 HydrophobicContact CD1-CG1 3.77Å; I294-V353 HydrophobicContact CG1-CB 4.39Å; I294-V353 HydrophobicContact CG1-CG1 4Å; S349-V353 WeakPolarHBondContact O-CG2 3.07Å; S349-V353 PolarHBondContact O-N 3.23Å; A350-V353 PolarHBondContact O-N 3.13Å; A350-V353 VanDerWaalsContact O-N 3.14Å; V353-T355 VanDerWaalsContact C-N 3.26Å; V353-T355 PolarHBondContact O-N 2.95Å; V353-Q356 PolarHBondContact O-N 3.09Å; V353-H357 PolarHBondContact O-N 3.36Å
354	L	80.8	Confident	80.9	Confident	6 Å²	6	46 Å²	46	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-36.4	173.2	-68.2	-170.9	0	0	0	112.6	I294 A350 V351 N352 G358 L361 I375 L378 L382	I294-L354 HydrophobicContact CD1-CD2 4.07Å; I294-L354 HydrophobicContact CG1-CD2 4.21Å; I294-L354 HydrophobicContact CG2-CD2 4.42Å; A350-L354 WeakPolarHBondContact O-CG 3.33Å; A350-L354 PolarHBondContact O-N 3.19Å; V351-L354 PolarHBondContact O-N 3.02Å; N352-L354 VanDerWaalsContact C-N 3.34Å; N352-L354 PolarHBondContact O-N 2.92Å; L354-G358 WeakPolarHBondContact O-CA 3.33Å; L354-G358 PolarHBondContact O-N 3.45Å; L354-G358 VanDerWaalsContact O-N 3.09Å; L354-L361 HydrophobicContact CD2-CD1 3.62Å; L354-I375 HydrophobicContact CB-CD1 4.27Å; L354-I375 HydrophobicContact CD2-CD1 4.31Å; L354-L378 HydrophobicContact CD1-CD2 4.48Å; L354-L378 HydrophobicContact CD1-CG 4.24Å; L354-L378 HydrophobicContact CD2-CD2 3.51Å; L354-L378 HydrophobicContact CD2-CG 4.14Å; L354-L382 HydrophobicContact CD1-CD1 3.8Å
355	T	82	Confident	80.3	Confident	108 Å²	108	46 Å²	46	66%	0.663	24%	0.242	S	C	*	.	H	α-helix	trans	-73.7	-41.6	178.6	-55.2	0	0	0	0	111.2	V351 N352 V353	V351-T355 WeakPolarHBondContact O-CB 3.16Å; V351-T355 PolarHBondContact O-N 3.01Å; V351-T355 PolarHBondContact O-OG1 3.38Å; N352-T355 WeakPolarHBondContact O-CB 3.43Å; N352-T355 PolarHBondContact O-N 2.78Å; N352-T355 VanDerWaalsContact O-N 3.11Å; V353-T355 VanDerWaalsContact C-N 3.26Å; V353-T355 PolarHBondContact O-N 2.95Å
356	Q	82.1	Confident	79.9	Confident	120 Å²	120	48.5 Å²	48.5	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-70.3	-37.4	179.9	-69.4	-178.1	12.7	0	0	112.7	N352 V353	N352-Q356 PolarHBondContact ND2-NE2 2.96Å; N352-Q356 WeakPolarHBondContact O-CG 3.42Å; N352-Q356 PolarHBondContact O-N 2.87Å; N352-Q356 PolarHBondContact OD1-NE2 3.44Å; V353-Q356 PolarHBondContact O-N 3.09Å
357	H	79.4	Confident	79.2	Confident	57 Å²	57	48.8 Å²	48.8	26%	0.264	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	18	-179.8	-64	-81.4	0	0	0	113.8	L286 V353 E359 T360 L361	L286-H357 HydrophobicContact CD2-CB 3.9Å; V353-H357 PolarHBondContact O-N 3.36Å; H357-E359 VanDerWaalsContact C-N 3.29Å; H357-E359 PolarHBondContact O-N 3.14Å; H357-E359 VanDerWaalsContact O-N 3.12Å; H357-T360 PolarHBondContact O-N 2.88Å; H357-T360 VanDerWaalsContact O-N 3.11Å; H357-L361 HydrophobicContact CB-CD1 3.89Å; H357-L361 HydrophobicContact CB-CG 4.29Å; H357-L361 PolarHBondContact O-N 3.42Å
358	G	78.1	Confident	78.4	Confident	12 Å²	12	53.3 Å²	53.3	12%	0.124	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-30.8	-166.8	0	0	0	0	0	115.8	L354 R362	L354-G358 WeakPolarHBondContact O-CA 3.33Å; L354-G358 PolarHBondContact O-N 3.45Å; L354-G358 VanDerWaalsContact O-N 3.09Å; G358-R362 WeakPolarHBondContact O-CB 3.35Å; G358-R362 PolarHBondContact O-N 3.05Å
359	E	78.6	Confident	77.4	Confident	145 Å²	145	55.7 Å²	55.7	68%	0.678	32%	0.315	S	S	*	.	H	α-helix	trans	-73.3	-48	175.7	-62.6	-173.1	160.3	0	0	111.9	H357 L361 R362 D363	H357-E359 VanDerWaalsContact C-N 3.29Å; H357-E359 PolarHBondContact O-N 3.14Å; H357-E359 VanDerWaalsContact O-N 3.12Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.79Å; E359-R362 WeakPolarHBondContact O-CB 3.3Å; E359-R362 PolarHBondContact O-N 3.37Å; E359-D363 PolarHBondContact O-N 2.87Å
360	T	77.6	Confident	76.5	Confident	50 Å²	50	54.5 Å²	54.5	31%	0.307	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-36.7	178.6	-62.1	0	0	0	0	111.8	K285 H357 F364	K285-T360 HydrophobicContact CB-CG2 4.02Å; K285-T360 HydrophobicContact CD-CG2 3.82Å; H357-T360 PolarHBondContact O-N 2.88Å; H357-T360 VanDerWaalsContact O-N 3.11Å; T360-F364 WeakPolarHBondContact O-CB 3.49Å; T360-F364 PolarHBondContact O-N 2.97Å
361	L	74.1	Confident	75.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-71.3	-37.8	175.3	-72.9	164.3	0	0	0	112.2	L280 L286 I294 L354 H357 E359 F364 M365 I375	L280-L361 HydrophobicContact CD1-CD2 3.95Å; L280-L361 HydrophobicContact CD2-CD2 4.22Å; L280-L361 HydrophobicContact CG-CD2 4.44Å; L286-L361 HydrophobicContact CD1-CD2 3.85Å; I294-L361 HydrophobicContact CD1-CD1 4.49Å; L354-L361 HydrophobicContact CD2-CD1 3.62Å; H357-L361 HydrophobicContact CB-CD1 3.89Å; H357-L361 HydrophobicContact CB-CG 4.29Å; H357-L361 PolarHBondContact O-N 3.42Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.79Å; L361-F364 PolarHBondContact O-N 3.49Å; L361-M365 WeakPolarHBondContact O-CB 3.47Å; L361-M365 VanDerWaalsContact O-CG 3.24Å; L361-M365 WeakPolarHBondContact O-CG 3.25Å; L361-M365 PolarHBondContact O-N 3.15Å; L361-I375 HydrophobicContact CB-CD1 4.07Å; L361-I375 HydrophobicContact CD1-CD1 4.42Å
362	R	74.6	Confident	73.9	Confident	101 Å²	101	59.1 Å²	59.1	38%	0.381	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-53.5	174.5	-176.6	-172.4	-55.3	151.5	5.9	111	G358 E359 F364 M365 E366	G358-R362 WeakPolarHBondContact O-CB 3.35Å; G358-R362 PolarHBondContact O-N 3.05Å; E359-R362 WeakPolarHBondContact O-CB 3.3Å; E359-R362 PolarHBondContact O-N 3.37Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 PolarHBondContact O-N 2.79Å; R362-M365 PolarHBondContact O-N 3Å; R362-E366 WeakPolarHBondContact CG-OE1 3.21Å; R362-E366 WeakPolarHBondContact O-CB 3.3Å; R362-E366 WeakPolarHBondContact O-CG 3.48Å; R362-E366 PolarHBondContact O-N 2.75Å
363	D	75.1	Confident	72.9	Confident	107 Å²	107	58.8 Å²	58.8	57%	0.572	34%	0.338	S	S	*	.	H	α-helix	trans	-57.7	-42.2	179.7	-69.3	-6.5	0	0	0	111.8	E359 G367	E359-D363 PolarHBondContact O-N 2.87Å; D363-G367 PolarHBondContact O-N 3.03Å
364	F	75.6	Confident	72	Confident	37 Å²	37	58.6 Å²	58.6	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-46.8	176.9	178.9	-100.6	0	0	0	112.3	P279 L280 I283 T360 L361 R362 G367 H368	P279-F364 HydrophobicContact CB-CE1 4.28Å; P279-F364 HydrophobicContact CB-CZ 3.67Å; L280-F364 HydrophobicContact CD1-CD1 3.98Å; L280-F364 HydrophobicContact CD1-CE1 3.9Å; I283-F364 HydrophobicContact CD1-CB 4.27Å; I283-F364 HydrophobicContact CD1-CD1 3.65Å; I283-F364 HydrophobicContact CD1-CD2 3.33Å; I283-F364 HydrophobicContact CD1-CE1 3.73Å; I283-F364 HydrophobicContact CD1-CE2 3.39Å; I283-F364 HydrophobicContact CD1-CG 3.45Å; I283-F364 VanDerWaalsContact CD1-CG 3.45Å; I283-F364 HydrophobicContact CD1-CZ 3.58Å; I283-F364 HydrophobicContact CG1-CD2 3.85Å; I283-F364 HydrophobicContact CG1-CE2 3.57Å; I283-F364 HydrophobicContact CG1-CG 4.45Å; I283-F364 HydrophobicContact CG1-CZ 3.96Å; T360-F364 WeakPolarHBondContact O-CB 3.49Å; T360-F364 PolarHBondContact O-N 2.97Å; L361-F364 PolarHBondContact O-N 3.49Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 PolarHBondContact O-N 2.79Å; F364-G367 CarbonylContact O-C 3.58Å; F364-G367 PolarHBondContact O-N 3.14Å; F364-H368 AromaticContact CD2-CD2 3.8Å; F364-H368 AromaticContact CE1-CD2 3.86Å; F364-H368 AromaticContact CE2-CD2 3.31Å; F364-H368 WeakPolarHBondContact CE2-CD2 3.3Å; F364-H368 AromaticContact CE2-NE2 3.27Å; F364-H368 VanDerWaalsContact CE2-NE2 3.27Å; F364-H368 WeakPolarHBondContact CE2-NE2 3.28Å; F364-H368 AromaticContact CZ-CD2 3.35Å; F364-H368 WeakPolarHBondContact CZ-CD2 3.24Å; F364-H368 AromaticContact CZ-NE2 3.41Å; F364-H368 WeakPolarHBondContact CZ-NE2 3.18Å; F364-H368 PolarHBondContact O-CD2 2.79Å; F364-H368 PolarHBondContact O-N 3.38Å
365	M	72.2	Confident	71.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-39.2	-178	-74.9	-168.1	73.8	0	0	112.6	Y276 L361 R362 G367 H368 G369 A370 G374 T377 L378	Y276-M365 HydrophobicContact CD1-CE 3.82Å; Y276-M365 HydrophobicContact CE1-CE 4.06Å; Y276-M365 HydrophobicContact CG-CE 4.15Å; L361-M365 WeakPolarHBondContact O-CB 3.47Å; L361-M365 VanDerWaalsContact O-CG 3.24Å; L361-M365 WeakPolarHBondContact O-CG 3.25Å; L361-M365 PolarHBondContact O-N 3.15Å; R362-M365 PolarHBondContact O-N 3Å; M365-G367 VanDerWaalsContact C-N 3.34Å; M365-H368 CarbonylContact O-C 3.59Å; M365-H368 PolarHBondContact O-N 3.45Å; M365-G369 PolarHBondContact O-N 2.95Å; M365-G369 VanDerWaalsContact O-N 3.14Å; M365-A370 HydrophobicContact CB-CB 3.88Å; M365-A370 HydrophobicContact CE-CB 3.93Å; M365-A370 VanDerWaalsContact O-CB 3.26Å; M365-A370 WeakPolarHBondContact O-CB 3.49Å; M365-A370 PolarHBondContact O-N 3.37Å; M365-G374 WeakPolarHBondContact CE-O 3.06Å; M365-T377 HydrophobicContact CE-CG2 4.1Å; M365-L378 HydrophobicContact CE-CB 3.67Å; M365-L378 HydrophobicContact SD-CB 3.46Å; M365-L378 WeakPolarHBondContact SD-CB 3.35Å; M365-L378 HydrophobicContact SD-CD2 3.94Å; M365-L378 HydrophobicContact SD-CG 4.35Å
366	E	76.9	Confident	71	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-36.9	174.2	-71.7	170.3	-160.1	0	0	110.9	R362 H368 G369 G374	R362-E366 WeakPolarHBondContact CG-OE1 3.21Å; R362-E366 WeakPolarHBondContact O-CB 3.3Å; R362-E366 WeakPolarHBondContact O-CG 3.48Å; R362-E366 PolarHBondContact O-N 2.75Å; E366-H368 VanDerWaalsContact C-N 3.26Å; E366-H368 PolarHBondContact O-N 2.66Å; E366-G369 PolarHBondContact O-N 2.94Å; E366-G374 PolarHBondContact OE1-N 3.36Å; E366-G374 VanDerWaalsContact OE1-N 3.12Å
367	G	69.8	Low	70.8	Confident	67 Å²	67	51.5 Å²	51.5	69%	0.691	30%	0.299	S	S	*	.	H	α-helix	trans	-63.4	-26.4	169.5	0	0	0	0	0	114.8	D363 F364 M365	D363-G367 PolarHBondContact O-N 3.03Å; F364-G367 CarbonylContact O-C 3.58Å; F364-G367 PolarHBondContact O-N 3.14Å; M365-G367 VanDerWaalsContact C-N 3.34Å
368	H	69.1	Low	70.6	Confident	99 Å²	99	48.8 Å²	48.8	46%	0.458	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	10.4	175.7	-84.7	-91.9	0	0	0	114.2	F364 M365 E366	F364-H368 AromaticContact CD2-CD2 3.8Å; F364-H368 AromaticContact CE1-CD2 3.86Å; F364-H368 AromaticContact CE2-CD2 3.31Å; F364-H368 WeakPolarHBondContact CE2-CD2 3.3Å; F364-H368 AromaticContact CE2-NE2 3.27Å; F364-H368 VanDerWaalsContact CE2-NE2 3.27Å; F364-H368 WeakPolarHBondContact CE2-NE2 3.28Å; F364-H368 AromaticContact CZ-CD2 3.35Å; F364-H368 WeakPolarHBondContact CZ-CD2 3.24Å; F364-H368 AromaticContact CZ-NE2 3.41Å; F364-H368 WeakPolarHBondContact CZ-NE2 3.18Å; F364-H368 PolarHBondContact O-CD2 2.79Å; F364-H368 PolarHBondContact O-N 3.38Å; M365-H368 CarbonylContact O-C 3.59Å; M365-H368 PolarHBondContact O-N 3.45Å; E366-H368 VanDerWaalsContact C-N 3.26Å; E366-H368 PolarHBondContact O-N 2.66Å
369	G	63.4	Low	70.6	Confident	60 Å²	60	49.1 Å²	49.1	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	20.9	172	0	0	0	0	0	115.7	M365 E366	M365-G369 PolarHBondContact O-N 2.95Å; M365-G369 VanDerWaalsContact O-N 3.14Å; E366-G369 PolarHBondContact O-N 2.94Å
370	A	64.6	Low	70.6	Confident	11 Å²	11	42.3 Å²	42.3	9%	0.091	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.7	166.4	0	0	0	0	0	111.2	Y276 M365 S372 T377	Y276-A370 HydrophobicContact CE1-CB 3.79Å; M365-A370 HydrophobicContact CB-CB 3.88Å; M365-A370 HydrophobicContact CE-CB 3.93Å; M365-A370 VanDerWaalsContact O-CB 3.26Å; M365-A370 WeakPolarHBondContact O-CB 3.49Å; M365-A370 PolarHBondContact O-N 3.37Å; A370-S372 PolarHBondContact O-N 3.43Å; A370-T377 HydrophobicContact CB-CG2 4.49Å
371	V	60.8	Low	70.7	Confident	70 Å²	70	40.2 Å²	40.2	42%	0.424	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-67.4	133.2	170.4	-171.1	0	0	0	0	108.6	P373 G374	V371-P373 CarbonylContact O-C 3.6Å; V371-P373 VanDerWaalsContact O-C 3.29Å; V371-G374 WeakPolarHBondContact O-CA 3.37Å; V371-G374 PolarHBondContact O-N 2.93Å
372	S	51.9	Low	71.1	Confident	62 Å²	62	40.1 Å²	40.1	43%	0.434	24%	0.243	S	C	.	.	S	Bend	trans	-53	145	171	160.7	0	0	0	0	110.7	A370 E687	A370-S372 PolarHBondContact O-N 3.43Å; S372-E687 VanDerWaalsContact C-OE1 3.25Å; S372-E687 WeakPolarHBondContact CB-OE1 3.43Å; S372-E687 WeakPolarHBondContact O-CG 3.21Å; S372-E687 PolarHBondContact OG-OE1 2.94Å
373	P	61.1	Low	71.4	Confident	35 Å²	35	35.3 Å²	35.3	23%	0.227	23%	0.225	C	C	.	.	S	Bend	cis	-68.3	126.9	-23.1	-11.7	27.5	0	0	0	109.4	V371 I375 L376	V371-P373 CarbonylContact O-C 3.6Å; V371-P373 VanDerWaalsContact O-C 3.29Å; P373-I375 HydrophobicContact CB-CG2 4.24Å; P373-I375 PolarHBondContact O-N 3.32Å; P373-L376 HydrophobicContact CB-CG 4.45Å; P373-L376 HydrophobicContact CG-CD1 4.07Å; P373-L376 HydrophobicContact CG-CG 4.31Å; P373-L376 PolarHBondContact O-N 3.45Å
374	G	65.2	Low	71.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-52.2	-38.7	-172.1	0	0	0	0	0	113.8	M365 E366 V371 L376 T377	M365-G374 WeakPolarHBondContact CE-O 3.06Å; E366-G374 PolarHBondContact OE1-N 3.36Å; E366-G374 VanDerWaalsContact OE1-N 3.12Å; V371-G374 WeakPolarHBondContact O-CA 3.37Å; V371-G374 PolarHBondContact O-N 2.93Å; G374-L376 VanDerWaalsContact C-N 3.25Å; G374-L376 PolarHBondContact O-N 3.37Å; G374-T377 VanDerWaalsContact O-CB 3.31Å; G374-T377 WeakPolarHBondContact O-CB 3.41Å; G374-T377 PolarHBondContact O-N 3.18Å
375	I	70.3	Confident	72.1	Confident	24 Å²	24	31.7 Å²	31.7	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-31.9	178.4	-167	61.5	0	0	0	113.9	L354 L361 P373 L378 T379	L354-I375 HydrophobicContact CB-CD1 4.27Å; L354-I375 HydrophobicContact CD2-CD1 4.31Å; L361-I375 HydrophobicContact CB-CD1 4.07Å; L361-I375 HydrophobicContact CD1-CD1 4.42Å; P373-I375 HydrophobicContact CB-CG2 4.24Å; P373-I375 PolarHBondContact O-N 3.32Å; I375-L378 PolarHBondContact O-N 3.36Å; I375-T379 WeakPolarHBondContact O-CB 3.19Å; I375-T379 PolarHBondContact O-N 2.95Å; I375-T379 PolarHBondContact O-OG1 3.42Å
376	L	71.4	Confident	72.5	Confident	31 Å²	31	32.5 Å²	32.5	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-70.2	-33	177.1	-68	-172.2	0	0	0	112.2	P373 G374 L378 T379 T380 Q690 I691 V694	P373-L376 HydrophobicContact CB-CG 4.45Å; P373-L376 HydrophobicContact CG-CD1 4.07Å; P373-L376 HydrophobicContact CG-CG 4.31Å; P373-L376 PolarHBondContact O-N 3.45Å; G374-L376 VanDerWaalsContact C-N 3.25Å; G374-L376 PolarHBondContact O-N 3.37Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 2.84Å; L376-T379 PolarHBondContact O-N 2.89Å; L376-T380 VanDerWaalsContact O-CB 3.3Å; L376-T380 WeakPolarHBondContact O-CB 3.45Å; L376-T380 PolarHBondContact O-N 2.85Å; L376-T380 PolarHBondContact O-OG1 2.63Å; L376-Q690 HydrophobicContact CB-CG 4.3Å; L376-I691 HydrophobicContact CD1-CD1 4.19Å; L376-I691 HydrophobicContact CD1-CG1 3.46Å; L376-I691 VanDerWaalsContact CD1-CG1 3.46Å; L376-V694 HydrophobicContact CD2-CG2 4.45Å
377	T	76.4	Confident	72.7	Confident	30 Å²	30	30.2 Å²	30.2	18%	0.184	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-42.7	175.1	-64	0	0	0	0	110.7	Y276 M365 A370 G374 G381	Y276-T377 HydrophobicContact CE2-CG2 4.23Å; M365-T377 HydrophobicContact CE-CG2 4.1Å; A370-T377 HydrophobicContact CB-CG2 4.49Å; G374-T377 VanDerWaalsContact O-CB 3.31Å; G374-T377 WeakPolarHBondContact O-CB 3.41Å; G374-T377 PolarHBondContact O-N 3.18Å; T377-G381 PolarHBondContact O-N 2.87Å
378	L	75.3	Confident	73.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-74.7	-42.8	176.2	-178	57.3	0	0	0	112.2	L272 L277 I294 L354 M365 I375 L376 T380 G381 L382	L272-L378 HydrophobicContact CD1-CD1 4.17Å; L277-L378 HydrophobicContact CD2-CD1 4.06Å; I294-L378 HydrophobicContact CG2-CD2 4.49Å; L354-L378 HydrophobicContact CD1-CD2 4.48Å; L354-L378 HydrophobicContact CD1-CG 4.24Å; L354-L378 HydrophobicContact CD2-CD2 3.51Å; L354-L378 HydrophobicContact CD2-CG 4.14Å; M365-L378 HydrophobicContact CE-CB 3.67Å; M365-L378 HydrophobicContact SD-CB 3.46Å; M365-L378 WeakPolarHBondContact SD-CB 3.35Å; M365-L378 HydrophobicContact SD-CD2 3.94Å; M365-L378 HydrophobicContact SD-CG 4.35Å; I375-L378 PolarHBondContact O-N 3.36Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 2.84Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 2.87Å; L378-G381 PolarHBondContact O-N 3.15Å; L378-G381 VanDerWaalsContact O-N 3.15Å; L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CD2 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.01Å; L378-L382 HydrophobicContact CG-CD1 4.3Å; L378-L382 HydrophobicContact CG-CG 4.48Å; L378-L382 WeakPolarHBondContact O-CG 3.42Å; L378-L382 PolarHBondContact O-N 3Å
379	T	78.5	Confident	74.1	Confident	19 Å²	19	23.4 Å²	23.4	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-38.8	178.8	-57.3	0	0	0	0	112.2	I375 L376 S383 V694 Y698	I375-T379 WeakPolarHBondContact O-CB 3.19Å; I375-T379 PolarHBondContact O-N 2.95Å; I375-T379 PolarHBondContact O-OG1 3.42Å; L376-T379 PolarHBondContact O-N 2.89Å; T379-S383 PolarHBondContact O-N 3.49Å; T379-V694 HydrophobicContact CG2-CG1 4.01Å; T379-V694 HydrophobicContact CG2-CG2 4.18Å; T379-Y698 HydrophobicContact CG2-CE2 3.91Å; T379-Y698 WeakPolarHBondContact CG2-OH 3.48Å; T379-Y698 PolarHBondContact O-OH 3.06Å
380	T	79.4	Confident	75	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-78	-39.6	174.1	-45.6	0	0	0	0	111.5	L376 L378 L382 S383 K384 Q690 K693 V694	L376-T380 VanDerWaalsContact O-CB 3.3Å; L376-T380 WeakPolarHBondContact O-CB 3.45Å; L376-T380 PolarHBondContact O-N 2.85Å; L376-T380 PolarHBondContact O-OG1 2.63Å; L378-T380 VanDerWaalsContact C-N 3.28Å; L378-T380 PolarHBondContact O-N 2.87Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 3.08Å; T380-S383 WeakPolarHBondContact CA-OG 3.28Å; T380-S383 CarbonylContact O-C 3.43Å; T380-S383 PolarHBondContact O-N 2.87Å; T380-S383 PolarHBondContact O-OG 3.39Å; T380-K384 WeakPolarHBondContact O-CG 3.42Å; T380-K384 PolarHBondContact O-N 3.37Å; T380-Q690 WeakPolarHBondContact OG1-CG 3.49Å; T380-Q690 PolarHBondContact OG1-NE2 2.87Å; T380-K693 HydrophobicContact CG2-CB 4.28Å; T380-V694 WeakPolarHBondContact OG1-CG2 3.27Å
381	G	79.6	Confident	76	Confident	5 Å²	5	28 Å²	28	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-46.2	176.5	0	0	0	0	0	112.1	L272 T377 L378 S383 K384	L272-G381 VanDerWaalsContact CD2-C 3.48Å; T377-G381 PolarHBondContact O-N 2.87Å; L378-G381 PolarHBondContact O-N 3.15Å; L378-G381 VanDerWaalsContact O-N 3.15Å; G381-S383 VanDerWaalsContact C-N 3.27Å; G381-S383 PolarHBondContact O-N 3.03Å; G381-K384 PolarHBondContact O-N 3.32Å
382	L	81.4	Confident	77.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.6	174.6	-64.2	179.1	0	0	0	113.4	L298 Y343 H347 L354 L378 T380 P385 F386	L298-L382 HydrophobicContact CD2-CD2 4.11Å; Y343-L382 WeakPolarHBondContact CE1-O 3.44Å; Y343-L382 VanDerWaalsContact OH-CA 3.23Å; Y343-L382 WeakPolarHBondContact OH-CA 3.48Å; Y343-L382 WeakPolarHBondContact OH-CB 3.45Å; Y343-L382 WeakPolarHBondContact OH-CD2 3.42Å; Y343-L382 PolarHBondContact OH-O 3.48Å; H347-L382 VanDerWaalsContact CE1-CB 3.45Å; H347-L382 WeakPolarHBondContact CE1-CB 3.4Å; L354-L382 HydrophobicContact CD1-CD1 3.8Å; L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CD2 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.01Å; L378-L382 HydrophobicContact CG-CD1 4.3Å; L378-L382 HydrophobicContact CG-CG 4.48Å; L378-L382 WeakPolarHBondContact O-CG 3.42Å; L378-L382 PolarHBondContact O-N 3Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 3.08Å; L382-P385 WeakPolarHBondContact O-CD 3.46Å; L382-F386 WeakPolarHBondContact O-CE2 3.37Å
383	S	81.8	Confident	78.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.9	176.5	78.1	0	0	0	0	114.5	T379 T380 G381 P385 F386 M387	T379-S383 PolarHBondContact O-N 3.49Å; T380-S383 WeakPolarHBondContact CA-OG 3.28Å; T380-S383 CarbonylContact O-C 3.43Å; T380-S383 PolarHBondContact O-N 2.87Å; T380-S383 PolarHBondContact O-OG 3.39Å; G381-S383 VanDerWaalsContact C-N 3.27Å; G381-S383 PolarHBondContact O-N 3.03Å; S383-P385 VanDerWaalsContact C-CD 3.46Å; S383-F386 WeakPolarHBondContact O-CD2 3.33Å; S383-F386 PolarHBondContact O-N 3.47Å; S383-M387 PolarHBondContact O-N 3.15Å
384	K	82.5	Confident	80.1	Confident	67 Å²	67	25.1 Å²	25.1	29%	0.291	13%	0.129	S	C	.	.	H	α-helix	trans	-51.8	-41.5	177.2	-75	-175.1	-178.9	-174.3	0	113.9	Y265 D268 T380 G381 F386 M387 R388	Y265-K384 HydrophobicContact CE2-CB 4.12Å; D268-K384 HydrophobicContact CB-CD 4.44Å; D268-K384 IonicContact OD1-NZ 2.61Å; D268-K384 IonicContact OD2-NZ 3.11Å; D268-K384 PolarHBondContact OD2-NZ 3.2Å; T380-K384 WeakPolarHBondContact O-CG 3.42Å; T380-K384 PolarHBondContact O-N 3.37Å; G381-K384 PolarHBondContact O-N 3.32Å; K384-F386 PolarHBondContact O-N 3.03Å; K384-M387 PolarHBondContact O-N 3.45Å; K384-R388 PolarHBondContact O-N 2.83Å
385	P	83.3	Confident	80.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-41	179.2	-26.2	35.8	0	0	0	114.2	Y265 L269 L298 Y340 Y343 L382 S383 R388 L389	Y265-P385 VanDerWaalsContact OH-CA 3.25Å; Y265-P385 WeakPolarHBondContact OH-CA 3.36Å; Y265-P385 WeakPolarHBondContact OH-CB 3.4Å; L269-P385 HydrophobicContact CD2-CG 4.29Å; L298-P385 HydrophobicContact CD1-CG 4.13Å; Y340-P385 HydrophobicContact CE1-CB 3.91Å; Y343-P385 HydrophobicContact CD1-CB 4.17Å; Y343-P385 HydrophobicContact CD1-CG 4.39Å; Y343-P385 HydrophobicContact CE1-CB 3.9Å; Y343-P385 HydrophobicContact CE1-CG 3.72Å; L382-P385 WeakPolarHBondContact O-CD 3.46Å; S383-P385 VanDerWaalsContact C-CD 3.46Å; P385-R388 PolarHBondContact O-N 2.94Å; P385-L389 WeakPolarHBondContact O-CB 3.41Å; P385-L389 PolarHBondContact O-N 3.02Å
386	F	79.3	Confident	81.5	Confident	18 Å²	18	25.5 Å²	25.5	8%	0.079	13%	0.132	C	C	.	.	H	α-helix	trans	-68.1	-44.5	176.8	-41.5	-62.5	0	0	0	111	Y343 C344 H347 L382 S383 K384 R388 L389 D390	Y343-F386 AromaticContact CD1-CE1 3.49Å; Y343-F386 HydrophobicContact CD1-CE1 3.49Å; Y343-F386 VanDerWaalsContact CD1-CE1 3.49Å; Y343-F386 HydrophobicContact CD1-CE2 4.42Å; Y343-F386 AromaticContact CD1-CZ 3.43Å; Y343-F386 HydrophobicContact CD1-CZ 3.43Å; Y343-F386 VanDerWaalsContact CD1-CZ 3.43Å; Y343-F386 AromaticContact CE1-CE1 3.74Å; Y343-F386 HydrophobicContact CE1-CE1 3.74Å; Y343-F386 AromaticContact CE1-CE2 3.82Å; Y343-F386 HydrophobicContact CE1-CE2 3.82Å; Y343-F386 AromaticContact CE1-CZ 3.22Å; Y343-F386 HydrophobicContact CE1-CZ 3.22Å; C344-F386 HydrophobicContact CB-CE1 4.46Å; C344-F386 WeakPolarHBondContact SG-CE1 3.1Å; H347-F386 HydrophobicContact CB-CE2 4.29Å; H347-F386 HydrophobicContact CB-CZ 3.67Å; H347-F386 AromaticContact CD2-CE2 3.68Å; H347-F386 AromaticContact CD2-CZ 3.86Å; H347-F386 AromaticContact CG-CE2 3.59Å; H347-F386 AromaticContact CG-CZ 3.48Å; H347-F386 VanDerWaalsContact CG-CZ 3.48Å; H347-F386 AromaticContact ND1-CE2 3.59Å; H347-F386 AromaticContact ND1-CZ 3.81Å; L382-F386 WeakPolarHBondContact O-CE2 3.37Å; S383-F386 WeakPolarHBondContact O-CD2 3.33Å; S383-F386 PolarHBondContact O-N 3.47Å; K384-F386 PolarHBondContact O-N 3.03Å; F386-R388 PolarHBondContact O-N 3.49Å; F386-L389 WeakPolarHBondContact O-CB 3.36Å; F386-L389 PolarHBondContact O-N 3.36Å; F386-L389 VanDerWaalsContact O-N 3.12Å; F386-D390 PolarHBondContact O-N 2.81Å; F386-D390 VanDerWaalsContact O-N 3.09Å
387	M	81.8	Confident	82.1	Confident	34 Å²	34	30.1 Å²	30.1	17%	0.167	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-27.6	177.7	-62	-174.5	86.8	0	0	113.2	S383 K384 K391 E696 A697	S383-M387 PolarHBondContact O-N 3.15Å; K384-M387 PolarHBondContact O-N 3.45Å; M387-K391 VanDerWaalsContact O-CD 3.27Å; M387-K391 WeakPolarHBondContact O-CD 3.41Å; M387-K391 WeakPolarHBondContact O-CE 3.38Å; M387-K391 VanDerWaalsContact O-CG 3.26Å; M387-K391 WeakPolarHBondContact O-CG 3.47Å; M387-E696 HydrophobicContact CE-CG 4.4Å; M387-E696 VanDerWaalsContact CE-OE2 3.27Å; M387-E696 WeakPolarHBondContact CE-OE2 3.28Å; M387-A697 HydrophobicContact CG-CB 3.97Å; M387-A697 HydrophobicContact SD-CB 3.96Å
388	R	83.8	Confident	82.4	Confident	21 Å²	21	32 Å²	32	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-78.1	-41.3	171.9	-172.7	64.2	176.9	176.7	1.4	111.2	T261 E262 Y265 K384 P385 F386 D390 K391 Y392	T261-R388 VanDerWaalsContact CB-NH1 3.32Å; T261-R388 PolarHBondContact OG1-NH1 3.29Å; T261-R388 PolarHBondContact OG1-NH2 3.47Å; E262-R388 IonicContact OE2-CZ 3.27Å; E262-R388 IonicContact OE2-NE 2.76Å; E262-R388 PolarHBondContact OE2-NE 2.92Å; E262-R388 IonicContact OE2-NH2 2.87Å; E262-R388 PolarHBondContact OE2-NH2 2.82Å; Y265-R388 HydrophobicContact CD1-CB 4.34Å; Y265-R388 HydrophobicContact CD1-CG 3.77Å; Y265-R388 HydrophobicContact CD2-CB 4.44Å; Y265-R388 HydrophobicContact CE1-CB 4.16Å; Y265-R388 HydrophobicContact CE1-CG 3.9Å; Y265-R388 HydrophobicContact CE2-CB 4.26Å; Y265-R388 HydrophobicContact CG-CB 4.49Å; Y265-R388 HydrophobicContact CG-CG 4.15Å; K384-R388 PolarHBondContact O-N 2.83Å; P385-R388 PolarHBondContact O-N 2.94Å; F386-R388 PolarHBondContact O-N 3.49Å; R388-D390 VanDerWaalsContact C-N 3.29Å; R388-D390 PolarHBondContact O-N 3.26Å; R388-K391 WeakPolarHBondContact O-CB 3.27Å; R388-K391 PolarHBondContact O-N 3.27Å; R388-Y392 HydrophobicContact CG-CE2 3.86Å; R388-Y392 WeakPolarHBondContact CG-OH 3.24Å; R388-Y392 VanDerWaalsContact O-CD2 3.31Å; R388-Y392 WeakPolarHBondContact O-CD2 3.47Å; R388-Y392 WeakPolarHBondContact O-CE2 3.46Å; R388-Y392 PolarHBondContact O-N 3.44Å
389	L	84.1	Confident	82.5	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-44.4	178	-174.9	64.4	0	0	0	112.1	M336 Y340 P385 F386 K391 Y392 P393 F420 L423 C427	M336-L389 HydrophobicContact CE-CD1 3.96Å; Y340-L389 HydrophobicContact CD1-CB 4.42Å; Y340-L389 HydrophobicContact CD1-CD1 4.48Å; Y340-L389 HydrophobicContact CD1-CD2 4.17Å; Y340-L389 HydrophobicContact CE1-CB 4.33Å; P385-L389 WeakPolarHBondContact O-CB 3.41Å; P385-L389 PolarHBondContact O-N 3.02Å; F386-L389 WeakPolarHBondContact O-CB 3.36Å; F386-L389 PolarHBondContact O-N 3.36Å; F386-L389 VanDerWaalsContact O-N 3.12Å; L389-K391 PolarHBondContact O-N 3.43Å; L389-Y392 HydrophobicContact CD1-CD2 4.39Å; L389-Y392 PolarHBondContact O-N 2.76Å; L389-P393 WeakPolarHBondContact O-CD 3.17Å; L389-F420 HydrophobicContact CD1-CD1 4.19Å; L389-F420 HydrophobicContact CD1-CE1 4.46Å; L389-L423 HydrophobicContact CD1-CD2 3.89Å; L389-L423 HydrophobicContact CD1-CG 4.05Å; L389-L423 HydrophobicContact CD2-CG 4.28Å; L389-C427 HydrophobicContact CD2-CB 3.82Å; L389-C427 VanDerWaalsContact CD2-SG 3.59Å
390	D	83.3	Confident	82.6	Confident	62 Å²	62	32.9 Å²	32.9	33%	0.332	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.8	179.3	-69.2	-12.2	0	0	0	113.7	F386 R388 S424 Q428	F386-D390 PolarHBondContact O-N 2.81Å; F386-D390 VanDerWaalsContact O-N 3.09Å; R388-D390 VanDerWaalsContact C-N 3.29Å; R388-D390 PolarHBondContact O-N 3.26Å; D390-S424 VanDerWaalsContact OD1-CB 3.31Å; D390-S424 WeakPolarHBondContact OD1-CB 3.31Å; D390-S424 PolarHBondContact OD1-OG 3.45Å; D390-Q428 PolarHBondContact OD2-NE2 3.41Å
391	K	85.7	Confident	82.5	Confident	106 Å²	106	41 Å²	41	46%	0.461	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-23	178	-70.6	172.2	-173.2	-178.8	0	114.1	M387 R388 L389 T394 L395	M387-K391 VanDerWaalsContact O-CD 3.27Å; M387-K391 WeakPolarHBondContact O-CD 3.41Å; M387-K391 WeakPolarHBondContact O-CE 3.38Å; M387-K391 VanDerWaalsContact O-CG 3.26Å; M387-K391 WeakPolarHBondContact O-CG 3.47Å; R388-K391 WeakPolarHBondContact O-CB 3.27Å; R388-K391 PolarHBondContact O-N 3.27Å; L389-K391 PolarHBondContact O-N 3.43Å; K391-T394 PolarHBondContact O-N 2.83Å; K391-T394 VanDerWaalsContact O-N 3.13Å; K391-T394 PolarHBondContact O-OG1 3.27Å; K391-L395 HydrophobicContact CB-CD1 4.42Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3.44Å
392	Y	85.8	Confident	82	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-41.7	177.2	-62.1	-75.9	0	0	0	113.4	E262 M336 R388 L389 T394 L395 L396 F420	E262-Y392 WeakPolarHBondContact OE1-CE1 3.48Å; E262-Y392 PolarHBondContact OE1-OH 3.07Å; E262-Y392 PolarHBondContact OE2-OH 3.42Å; M336-Y392 HydrophobicContact CE-CD2 4.18Å; M336-Y392 HydrophobicContact CE-CE2 3.5Å; R388-Y392 HydrophobicContact CG-CE2 3.86Å; R388-Y392 WeakPolarHBondContact CG-OH 3.24Å; R388-Y392 VanDerWaalsContact O-CD2 3.31Å; R388-Y392 WeakPolarHBondContact O-CD2 3.47Å; R388-Y392 WeakPolarHBondContact O-CE2 3.46Å; R388-Y392 PolarHBondContact O-N 3.44Å; L389-Y392 HydrophobicContact CD1-CD2 4.39Å; L389-Y392 PolarHBondContact O-N 2.76Å; Y392-T394 VanDerWaalsContact C-N 3.26Å; Y392-T394 PolarHBondContact O-N 2.61Å; Y392-L395 PolarHBondContact O-N 2.98Å; Y392-L396 WeakPolarHBondContact O-CB 3.42Å; Y392-L396 VanDerWaalsContact O-CG 3.29Å; Y392-L396 WeakPolarHBondContact O-CG 3.46Å; Y392-L396 PolarHBondContact O-N 3.22Å; Y392-F420 HydrophobicContact CD1-CE1 4.35Å; Y392-F420 HydrophobicContact CD1-CZ 4.24Å; Y392-F420 AromaticContact CD2-CD1 3.98Å; Y392-F420 HydrophobicContact CD2-CD1 3.98Å; Y392-F420 AromaticContact CD2-CE1 3.59Å; Y392-F420 HydrophobicContact CD2-CE1 3.59Å; Y392-F420 HydrophobicContact CD2-CZ 4.29Å; Y392-F420 HydrophobicContact CE2-CE1 4.27Å; Y392-F420 HydrophobicContact CG-CD1 4.05Å; Y392-F420 AromaticContact CG-CE1 3.64Å; Y392-F420 HydrophobicContact CG-CE1 3.64Å; Y392-F420 AromaticContact CG-CZ 3.93Å; Y392-F420 HydrophobicContact CG-CZ 3.93Å
393	P	86.3	Confident	81.4	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-28.7	176.2	-25.3	34.7	0	0	0	115	L389 K397 F420 K421	L389-P393 WeakPolarHBondContact O-CD 3.17Å; P393-K397 WeakPolarHBondContact O-CB 3.47Å; P393-K397 PolarHBondContact O-N 3.34Å; P393-F420 HydrophobicContact CG-CB 3.94Å; P393-K421 HydrophobicContact CB-CG 3.94Å; P393-K421 HydrophobicContact CG-CG 3.96Å
394	T	86.3	Confident	80.6	Confident	89 Å²	89	48 Å²	48	55%	0.546	22%	0.222	S	C	.	.	H	α-helix	trans	-85.8	-39.6	179.1	57	0	0	0	0	111.5	K391 Y392 K397 E398	K391-T394 PolarHBondContact O-N 2.83Å; K391-T394 VanDerWaalsContact O-N 3.13Å; K391-T394 PolarHBondContact O-OG1 3.27Å; Y392-T394 VanDerWaalsContact C-N 3.26Å; Y392-T394 PolarHBondContact O-N 2.61Å; T394-K397 WeakPolarHBondContact O-CB 3.19Å; T394-K397 PolarHBondContact O-N 2.99Å; T394-E398 PolarHBondContact O-N 3.47Å; T394-E398 VanDerWaalsContact O-N 3.08Å
395	L	83.4	Confident	79.4	Confident	29 Å²	29	52.9 Å²	52.9	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-47.6	173.2	-68.5	171.3	0	0	0	111.8	I258 K391 Y392 K397 E398 L399	I258-L395 HydrophobicContact CD1-CB 4.26Å; I258-L395 HydrophobicContact CG1-CB 4.12Å; I258-L395 HydrophobicContact CG1-CD2 4.23Å; K391-L395 HydrophobicContact CB-CD1 4.42Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3.44Å; Y392-L395 PolarHBondContact O-N 2.98Å; L395-K397 VanDerWaalsContact C-N 3.28Å; L395-K397 PolarHBondContact O-N 2.81Å; L395-E398 PolarHBondContact O-N 3.49Å; L395-L399 PolarHBondContact O-N 3Å
396	L	82.9	Confident	78.1	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-30.2	176.5	-69.6	172.8	0	0	0	112.7	F329 Y392 L399 E400 I413 C416 M417 F420	F329-L396 HydrophobicContact CD2-CD2 4.09Å; F329-L396 HydrophobicContact CE2-CD2 4.16Å; Y392-L396 WeakPolarHBondContact O-CB 3.42Å; Y392-L396 VanDerWaalsContact O-CG 3.29Å; Y392-L396 WeakPolarHBondContact O-CG 3.46Å; Y392-L396 PolarHBondContact O-N 3.22Å; L396-L399 HydrophobicContact CD2-CD2 4.44Å; L396-L399 PolarHBondContact O-N 3.44Å; L396-E400 WeakPolarHBondContact O-CB 3.43Å; L396-E400 PolarHBondContact O-N 3.33Å; L396-I413 HydrophobicContact CB-CG2 4.45Å; L396-C416 HydrophobicContact CD1-CB 4.42Å; L396-M417 HydrophobicContact CB-CG 3.52Å; L396-M417 HydrophobicContact CB-SD 4.22Å; L396-M417 HydrophobicContact CD1-CG 4.15Å; L396-F420 HydrophobicContact CD1-CD2 3.54Å; L396-F420 HydrophobicContact CD1-CE2 3.77Å
397	K	83.3	Confident	77.6	Confident	127 Å²	127	62.4 Å²	62.4	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-69	-40.7	174.5	-170.5	-179.9	178.9	-172.8	0	112.2	P393 T394 L395 L399 E400 R401 M417	P393-K397 WeakPolarHBondContact O-CB 3.47Å; P393-K397 PolarHBondContact O-N 3.34Å; T394-K397 WeakPolarHBondContact O-CB 3.19Å; T394-K397 PolarHBondContact O-N 2.99Å; L395-K397 VanDerWaalsContact C-N 3.28Å; L395-K397 PolarHBondContact O-N 2.81Å; K397-L399 VanDerWaalsContact C-N 3.33Å; K397-E400 PolarHBondContact O-N 3.31Å; K397-R401 WeakPolarHBondContact O-CB 3.41Å; K397-R401 PolarHBondContact O-N 3.17Å; K397-M417 HydrophobicContact CB-CE 3.62Å; K397-M417 HydrophobicContact CB-SD 4.37Å; K397-M417 HydrophobicContact CG-CE 3.95Å
398	E	82.1	Confident	76.9	Confident	71 Å²	71	64.3 Å²	64.3	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-34.5	176.2	-163.7	61.2	-157.5	0	0	110.7	V254 T394 L395 R401 H402	V254-E398 HydrophobicContact CG2-CG 4.26Å; T394-E398 PolarHBondContact O-N 3.47Å; T394-E398 VanDerWaalsContact O-N 3.08Å; L395-E398 PolarHBondContact O-N 3.49Å; E398-R401 WeakPolarHBondContact O-CB 3.46Å; E398-R401 PolarHBondContact O-N 2.76Å; E398-R401 IonicContact OE1-NH1 2.94Å; E398-R401 IonicContact OE2-NH1 2.88Å; E398-H402 PolarHBondContact O-CD2 3.11Å; E398-H402 IonicContact OE1-CD2 3.81Å; E398-H402 IonicContact OE1-CE1 3.26Å; E398-H402 IonicContact OE1-NE2 3.28Å; E398-H402 PolarHBondContact OE1-NE2 3.02Å
399	L	78.1	Confident	76.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-43.6	171.3	-168.7	70.9	0	0	0	112.3	Y251 V254 L255 I258 V325 L395 L396 K397 R401 H402 M403 I413	Y251-L399 HydrophobicContact CD2-CD1 3.72Å; Y251-L399 HydrophobicContact CD2-CG 4.37Å; Y251-L399 HydrophobicContact CE2-CD1 3.43Å; Y251-L399 VanDerWaalsContact CE2-CD1 3.43Å; Y251-L399 HydrophobicContact CE2-CG 3.85Å; V254-L399 HydrophobicContact CB-CD1 4.45Å; V254-L399 HydrophobicContact CG1-CB 4.17Å; V254-L399 HydrophobicContact CG1-CD1 4.02Å; L255-L399 HydrophobicContact CB-CD1 4.27Å; I258-L399 HydrophobicContact CD1-CB 4.41Å; I258-L399 HydrophobicContact CD1-CD1 4.48Å; I258-L399 HydrophobicContact CD1-CD2 4.38Å; V325-L399 HydrophobicContact CB-CD2 4.49Å; V325-L399 HydrophobicContact CG1-CD2 4.1Å; L395-L399 PolarHBondContact O-N 3Å; L396-L399 HydrophobicContact CD2-CD2 4.44Å; L396-L399 PolarHBondContact O-N 3.44Å; K397-L399 VanDerWaalsContact C-N 3.33Å; L399-R401 VanDerWaalsContact C-N 3.33Å; L399-R401 PolarHBondContact O-N 2.99Å; L399-H402 PolarHBondContact O-N 2.97Å; L399-M403 PolarHBondContact O-N 3Å; L399-I413 HydrophobicContact CD2-CD1 4.12Å
400	E	80	Confident	76	Confident	36 Å²	36	66.1 Å²	66.1	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-38.5	175.7	178.7	-87.3	128	0	0	112.5	L396 K397 H402 M403 R410 I413 L414	L396-E400 WeakPolarHBondContact O-CB 3.43Å; L396-E400 PolarHBondContact O-N 3.33Å; K397-E400 PolarHBondContact O-N 3.31Å; E400-H402 VanDerWaalsContact C-N 3.28Å; E400-H402 PolarHBondContact O-N 3.43Å; E400-M403 PolarHBondContact O-N 2.92Å; E400-R410 PolarHBondContact O-NH1 2.86Å; E400-R410 IonicContact OE1-CZ 3.65Å; E400-R410 IonicContact OE1-NH1 3.87Å; E400-R410 PolarHBondContact OE1-NH1 2.77Å; E400-R410 IonicContact OE1-NH2 2.66Å; E400-R410 PolarHBondContact OE1-NH2 3.43Å; E400-I413 HydrophobicContact CB-CG2 4.11Å; E400-L414 HydrophobicContact CG-CD2 4.27Å
401	R	77.9	Confident	75.9	Confident	175 Å²	175	67 Å²	67	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-63.7	-28.3	-177.5	-171.4	-178.7	-175.7	-175.9	0.9	114.1	K397 E398 L399	K397-R401 WeakPolarHBondContact O-CB 3.41Å; K397-R401 PolarHBondContact O-N 3.17Å; E398-R401 WeakPolarHBondContact O-CB 3.46Å; E398-R401 PolarHBondContact O-N 2.76Å; E398-R401 IonicContact OE1-NH1 2.94Å; E398-R401 IonicContact OE2-NH1 2.88Å; L399-R401 VanDerWaalsContact C-N 3.33Å; L399-R401 PolarHBondContact O-N 2.99Å
402	H	69.2	Low	75.9	Confident	43 Å²	43	63.7 Å²	63.7	20%	0.199	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.5	179.3	-58.3	-69.2	0	0	0	113.4	E398 L399 E400	E398-H402 PolarHBondContact O-CD2 3.11Å; E398-H402 IonicContact OE1-CD2 3.81Å; E398-H402 IonicContact OE1-CE1 3.26Å; E398-H402 IonicContact OE1-NE2 3.28Å; E398-H402 PolarHBondContact OE1-NE2 3.02Å; L399-H402 PolarHBondContact O-N 2.97Å; E400-H402 VanDerWaalsContact C-N 3.28Å; E400-H402 PolarHBondContact O-N 3.43Å
403	M	68.9	Low	75.7	Confident	15 Å²	15	63.5 Å²	63.5	7%	0.074	32%	0.319	C	S	.	.	S	Bend	trans	-82.5	135.8	176.7	-178.9	170	-74.6	0	0	111.5	Y251 L399 E400 H407 D409 R410 I413	Y251-M403 HydrophobicContact CE2-CE 3.64Å; L399-M403 PolarHBondContact O-N 3Å; E400-M403 PolarHBondContact O-N 2.92Å; M403-H407 WeakPolarHBondContact CE-ND1 3.17Å; M403-H407 HydrophobicContact CG-CB 3.52Å; M403-H407 HydrophobicContact SD-CB 3.7Å; M403-H407 PolarHBondContact SD-ND1 3.49Å; M403-D409 HydrophobicContact CE-CB 4.47Å; M403-R410 HydrophobicContact SD-CB 3.93Å; M403-I413 HydrophobicContact CE-CD1 3.35Å; M403-I413 HydrophobicContact SD-CD1 3.91Å
404	E	64.4	Low	75.6	Confident	94 Å²	94	67 Å²	67	44%	0.439	34%	0.336	S	S	.	.			trans	-60.3	139.7	175.5	-66.7	-174.5	175	0	0	111.4	K248 N406 H407	K248-E404 WeakPolarHBondContact CE-OE1 3.39Å; K248-E404 IonicContact NZ-OE1 2.76Å; K248-E404 PolarHBondContact NZ-OE1 3.41Å; E404-N406 PolarHBondContact O-N 2.87Å; E404-H407 VanDerWaalsContact O-CB 3.3Å; E404-H407 WeakPolarHBondContact O-CB 3.44Å; E404-H407 PolarHBondContact O-N 2.73Å
405	E	57.8	Low	75.6	Confident	169 Å²	169	69.3 Å²	69.3	79%	0.79	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	-172.7	-65.9	-179.4	156.9	0	0	114
406	N	56.2	Low	75.7	Confident	163 Å²	163	68 Å²	68	87%	0.872	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	7.3	179.9	-64.6	-29.3	0	0	0	114.1	E404	E404-N406 PolarHBondContact O-N 2.87Å
407	H	67.5	Low	75.9	Confident	55 Å²	55	68.7 Å²	68.7	26%	0.255	34%	0.335	S	S	.	.			trans	-74.8	131.6	-175.1	-164.9	-105.7	0	0	0	112.8	M403 E404 D409 R410	M403-H407 WeakPolarHBondContact CE-ND1 3.17Å; M403-H407 HydrophobicContact CG-CB 3.52Å; M403-H407 HydrophobicContact SD-CB 3.7Å; M403-H407 PolarHBondContact SD-ND1 3.49Å; E404-H407 VanDerWaalsContact O-CB 3.3Å; E404-H407 WeakPolarHBondContact O-CB 3.44Å; E404-H407 PolarHBondContact O-N 2.73Å; H407-D409 WeakPolarHBondContact ND1-CB 3.44Å; H407-D409 PolarHBondContact ND1-N 3.47Å; H407-D409 PolarHBondContact O-N 2.88Å; H407-D409 VanDerWaalsContact O-N 3.15Å; H407-R410 VanDerWaalsContact O-CB 3.23Å; H407-R410 WeakPolarHBondContact O-CB 3.24Å; H407-R410 PolarHBondContact O-N 3Å; H407-R410 VanDerWaalsContact O-N 3.11Å
408	A	67.6	Low	76	Confident	73 Å²	73	64.6 Å²	64.6	60%	0.603	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22	-174.4	0	0	0	0	0	114.5
409	D	73.2	Confident	76.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.2	179.8	-161.5	49.9	0	0	0	113	R324 V325 G326 S327 M403 H407 D412 I413	R324-D409 WeakPolarHBondContact CA-OD1 3.28Å; V325-D409 PolarHBondContact N-OD2 3.39Å; G326-D409 WeakPolarHBondContact CA-OD1 3.42Å; G326-D409 VanDerWaalsContact N-CG 3.32Å; G326-D409 PolarHBondContact N-OD1 3.42Å; G326-D409 VanDerWaalsContact N-OD1 3.13Å; G326-D409 PolarHBondContact N-OD2 2.74Å; S327-D409 PolarHBondContact N-OD1 2.79Å; S327-D409 VanDerWaalsContact N-OD1 3.1Å; M403-D409 HydrophobicContact CE-CB 4.47Å; H407-D409 WeakPolarHBondContact ND1-CB 3.44Å; H407-D409 PolarHBondContact ND1-N 3.47Å; H407-D409 PolarHBondContact O-N 2.88Å; H407-D409 VanDerWaalsContact O-N 3.15Å; D409-D412 PolarHBondContact O-N 2.75Å; D409-D412 VanDerWaalsContact O-N 3.16Å; D409-I413 WeakPolarHBondContact O-CG1 3.49Å; D409-I413 PolarHBondContact O-N 3.19Å
410	R	76.4	Confident	76.8	Confident	61 Å²	61	62.8 Å²	62.8	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-55.8	-47.4	179.3	-171.3	172.5	176.1	70.3	14.1	114	E400 M403 H407 D412 I413 L414	E400-R410 PolarHBondContact O-NH1 2.86Å; E400-R410 IonicContact OE1-CZ 3.65Å; E400-R410 IonicContact OE1-NH1 3.87Å; E400-R410 PolarHBondContact OE1-NH1 2.77Å; E400-R410 IonicContact OE1-NH2 2.66Å; E400-R410 PolarHBondContact OE1-NH2 3.43Å; M403-R410 HydrophobicContact SD-CB 3.93Å; H407-R410 VanDerWaalsContact O-CB 3.23Å; H407-R410 WeakPolarHBondContact O-CB 3.24Å; H407-R410 PolarHBondContact O-N 3Å; H407-R410 VanDerWaalsContact O-N 3.11Å; R410-D412 VanDerWaalsContact C-N 3.34Å; R410-I413 PolarHBondContact O-N 3.34Å; R410-L414 WeakPolarHBondContact O-CG 3.3Å; R410-L414 PolarHBondContact O-N 3.1Å; R410-L414 VanDerWaalsContact O-N 3.16Å
411	P	81.9	Confident	77.2	Confident	81 Å²	81	67.1 Å²	67.1	53%	0.526	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-33.4	175.4	26.9	-35.2	0	0	0	112.9	L414 K415	P411-L414 PolarHBondContact O-N 2.83Å; P411-K415 WeakPolarHBondContact O-CB 3.35Å; P411-K415 PolarHBondContact O-N 3.42Å
412	D	83.9	Confident	77.8	Confident	36 Å²	36	63.1 Å²	63.1	19%	0.193	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-41.6	177.4	-75.9	-16.6	0	0	0	111.1	S327 L330 D409 R410 K415 C416	S327-D412 PolarHBondContact OG-OD2 3.47Å; L330-D412 HydrophobicContact CD1-CB 3.94Å; D409-D412 PolarHBondContact O-N 2.75Å; D409-D412 VanDerWaalsContact O-N 3.16Å; R410-D412 VanDerWaalsContact C-N 3.34Å; D412-K415 PolarHBondContact O-N 3.47Å; D412-C416 WeakPolarHBondContact O-CB 3.48Å; D412-C416 PolarHBondContact O-N 3.11Å
413	I	82.6	Confident	78.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-44.5	173.5	-70.1	173.8	0	0	0	111.2	L396 L399 E400 M403 D409 R410 K415 C416 M417	L396-I413 HydrophobicContact CB-CG2 4.45Å; L399-I413 HydrophobicContact CD2-CD1 4.12Å; E400-I413 HydrophobicContact CB-CG2 4.11Å; M403-I413 HydrophobicContact CE-CD1 3.35Å; M403-I413 HydrophobicContact SD-CD1 3.91Å; D409-I413 WeakPolarHBondContact O-CG1 3.49Å; D409-I413 PolarHBondContact O-N 3.19Å; R410-I413 PolarHBondContact O-N 3.34Å; I413-K415 PolarHBondContact O-N 3.26Å; I413-C416 WeakPolarHBondContact O-CB 3.18Å; I413-C416 PolarHBondContact O-N 3.25Å; I413-M417 HydrophobicContact CG2-CG 4.43Å; I413-M417 HydrophobicContact CG2-SD 4.16Å; I413-M417 WeakPolarHBondContact O-CG 3.5Å; I413-M417 PolarHBondContact O-N 3.47Å
414	L	83.8	Confident	79.6	Confident	85 Å²	85	61.2 Å²	61.2	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-43	177.4	-71.1	172.1	0	0	0	112.1	E400 R410 P411 C416 M417 G418	E400-L414 HydrophobicContact CG-CD2 4.27Å; R410-L414 WeakPolarHBondContact O-CG 3.3Å; R410-L414 PolarHBondContact O-N 3.1Å; R410-L414 VanDerWaalsContact O-N 3.16Å; P411-L414 PolarHBondContact O-N 2.83Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.78Å; L414-M417 HydrophobicContact CD2-SD 4.41Å; L414-M417 PolarHBondContact O-N 3.03Å; L414-G418 PolarHBondContact O-N 2.79Å; L414-G418 VanDerWaalsContact O-N 3.12Å
415	K	86.3	Confident	80.7	Confident	139 Å²	139	59.2 Å²	59.2	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-38.1	173.9	-174.4	179.3	177.3	-176.8	0	111.7	L330 P411 D412 I413 G418 S419	L330-K415 HydrophobicContact CD1-CB 4.34Å; L330-K415 HydrophobicContact CD1-CD 4.07Å; L330-K415 HydrophobicContact CD1-CG 4.35Å; L330-K415 HydrophobicContact CD2-CD 4.45Å; L330-K415 HydrophobicContact CD2-CG 4.12Å; P411-K415 WeakPolarHBondContact O-CB 3.35Å; P411-K415 PolarHBondContact O-N 3.42Å; D412-K415 PolarHBondContact O-N 3.47Å; I413-K415 PolarHBondContact O-N 3.26Å; K415-G418 PolarHBondContact O-N 3.31Å; K415-S419 WeakPolarHBondContact O-CB 3.03Å; K415-S419 PolarHBondContact O-N 3.48Å; K415-S419 PolarHBondContact O-OG 3.23Å
416	C	87	Confident	82.1	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-46.7	176	-169.2	0	0	0	0	111.7	F329 L330 L396 D412 I413 L414 G418 S419 F420	F329-C416 WeakPolarHBondContact CB-SG 3.48Å; L330-C416 HydrophobicContact CD2-CB 4.04Å; L330-C416 HydrophobicContact CG-CB 4.03Å; L396-C416 HydrophobicContact CD1-CB 4.42Å; D412-C416 WeakPolarHBondContact O-CB 3.48Å; D412-C416 PolarHBondContact O-N 3.11Å; I413-C416 WeakPolarHBondContact O-CB 3.18Å; I413-C416 PolarHBondContact O-N 3.25Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.78Å; C416-G418 VanDerWaalsContact C-N 3.33Å; C416-G418 PolarHBondContact O-N 2.96Å; C416-S419 CarbonylContact O-C 3.59Å; C416-S419 WeakPolarHBondContact O-CA 3.34Å; C416-S419 WeakPolarHBondContact O-CB 3.32Å; C416-S419 PolarHBondContact O-N 2.99Å; C416-F420 WeakPolarHBondContact O-CD2 3.33Å; C416-F420 PolarHBondContact O-N 2.81Å; C416-F420 VanDerWaalsContact SG-CD2 3.55Å; C416-F420 WeakPolarHBondContact SG-CE2 3.45Å
417	M	85.8	Confident	83.6	Confident	19 Å²	19	46.5 Å²	46.5	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-43.3	174.4	-73.8	172.3	60.3	0	0	112.4	L396 K397 I413 L414 S419 K421	L396-M417 HydrophobicContact CB-CG 3.52Å; L396-M417 HydrophobicContact CB-SD 4.22Å; L396-M417 HydrophobicContact CD1-CG 4.15Å; K397-M417 HydrophobicContact CB-CE 3.62Å; K397-M417 HydrophobicContact CB-SD 4.37Å; K397-M417 HydrophobicContact CG-CE 3.95Å; I413-M417 HydrophobicContact CG2-CG 4.43Å; I413-M417 HydrophobicContact CG2-SD 4.16Å; I413-M417 WeakPolarHBondContact O-CG 3.5Å; I413-M417 PolarHBondContact O-N 3.47Å; L414-M417 HydrophobicContact CD2-SD 4.41Å; L414-M417 PolarHBondContact O-N 3.03Å; M417-S419 VanDerWaalsContact C-N 3.34Å; M417-K421 WeakPolarHBondContact O-CG 3.17Å; M417-K421 PolarHBondContact O-N 3.23Å
418	G	86.3	Confident	84.5	Confident	41 Å²	41	48.3 Å²	48.3	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-41	173.7	0	0	0	0	0	112.5	L414 K415 C416 K421 N422	L414-G418 PolarHBondContact O-N 2.79Å; L414-G418 VanDerWaalsContact O-N 3.12Å; K415-G418 PolarHBondContact O-N 3.31Å; C416-G418 VanDerWaalsContact C-N 3.33Å; C416-G418 PolarHBondContact O-N 2.96Å; G418-K421 PolarHBondContact O-N 3.48Å; G418-N422 WeakPolarHBondContact O-CB 3.34Å; G418-N422 PolarHBondContact O-N 3.09Å
419	S	88.6	Confident	85.3	Confident	32 Å²	32	49.6 Å²	49.6	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-44	178.3	-56.5	0	0	0	0	112.3	K415 C416 M417 N422 L423	K415-S419 WeakPolarHBondContact O-CB 3.03Å; K415-S419 PolarHBondContact O-N 3.48Å; K415-S419 PolarHBondContact O-OG 3.23Å; C416-S419 CarbonylContact O-C 3.59Å; C416-S419 WeakPolarHBondContact O-CA 3.34Å; C416-S419 WeakPolarHBondContact O-CB 3.32Å; C416-S419 PolarHBondContact O-N 2.99Å; M417-S419 VanDerWaalsContact C-N 3.34Å; S419-N422 PolarHBondContact O-N 3.3Å; S419-L423 WeakPolarHBondContact O-CB 3.35Å; S419-L423 PolarHBondContact O-N 2.84Å
420	F	88.6	Confident	86	Confident	1 Å²	1	51 Å²	51	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-40.4	175.1	-88.5	-70.4	0	0	0	113.1	F329 M333 M336 L389 Y392 P393 L396 C416 N422 L423 S424	F329-F420 HydrophobicContact CB-CE2 4.08Å; F329-F420 HydrophobicContact CD1-CE2 4.12Å; F329-F420 AromaticContact CD1-CZ 3.96Å; F329-F420 HydrophobicContact CD1-CZ 3.96Å; F329-F420 HydrophobicContact CG-CE2 4.19Å; F329-F420 HydrophobicContact CG-CZ 4.49Å; M333-F420 HydrophobicContact SD-CD1 4.41Å; M333-F420 HydrophobicContact SD-CG 4.46Å; M336-F420 HydrophobicContact CE-CE1 4.01Å; M336-F420 HydrophobicContact SD-CE1 3.56Å; M336-F420 VanDerWaalsContact SD-CE1 3.56Å; M336-F420 HydrophobicContact SD-CZ 4.05Å; L389-F420 HydrophobicContact CD1-CD1 4.19Å; L389-F420 HydrophobicContact CD1-CE1 4.46Å; Y392-F420 HydrophobicContact CD1-CE1 4.35Å; Y392-F420 HydrophobicContact CD1-CZ 4.24Å; Y392-F420 AromaticContact CD2-CD1 3.98Å; Y392-F420 HydrophobicContact CD2-CD1 3.98Å; Y392-F420 AromaticContact CD2-CE1 3.59Å; Y392-F420 HydrophobicContact CD2-CE1 3.59Å; Y392-F420 HydrophobicContact CD2-CZ 4.29Å; Y392-F420 HydrophobicContact CE2-CE1 4.27Å; Y392-F420 HydrophobicContact CG-CD1 4.05Å; Y392-F420 AromaticContact CG-CE1 3.64Å; Y392-F420 HydrophobicContact CG-CE1 3.64Å; Y392-F420 AromaticContact CG-CZ 3.93Å; Y392-F420 HydrophobicContact CG-CZ 3.93Å; P393-F420 HydrophobicContact CG-CB 3.94Å; L396-F420 HydrophobicContact CD1-CD2 3.54Å; L396-F420 HydrophobicContact CD1-CE2 3.77Å; C416-F420 WeakPolarHBondContact O-CD2 3.33Å; C416-F420 PolarHBondContact O-N 2.81Å; C416-F420 VanDerWaalsContact SG-CD2 3.55Å; C416-F420 WeakPolarHBondContact SG-CE2 3.45Å; F420-N422 VanDerWaalsContact C-N 3.34Å; F420-N422 PolarHBondContact O-N 3.42Å; F420-L423 PolarHBondContact O-N 3.39Å; F420-S424 WeakPolarHBondContact O-CB 3.18Å; F420-S424 PolarHBondContact O-N 3.29Å
421	K	88.3	Confident	86.4	Confident	127 Å²	127	49.4 Å²	49.4	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-61.6	-42.3	173.9	-75.8	179.3	178.7	-176.9	0	112	P393 M417 G418 S424 A425	P393-K421 HydrophobicContact CB-CG 3.94Å; P393-K421 HydrophobicContact CG-CG 3.96Å; M417-K421 WeakPolarHBondContact O-CG 3.17Å; M417-K421 PolarHBondContact O-N 3.23Å; G418-K421 PolarHBondContact O-N 3.48Å; K421-S424 PolarHBondContact O-N 2.7Å; K421-A425 PolarHBondContact O-N 2.8Å
422	N	89.2	Confident	86.6	Confident	91 Å²	91	50.2 Å²	50.2	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-40.6	176.8	-163.7	-11.2	0	0	0	111.1	G418 S419 F420 A425 Q426	G418-N422 WeakPolarHBondContact O-CB 3.34Å; G418-N422 PolarHBondContact O-N 3.09Å; S419-N422 PolarHBondContact O-N 3.3Å; F420-N422 VanDerWaalsContact C-N 3.34Å; F420-N422 PolarHBondContact O-N 3.42Å; N422-A425 PolarHBondContact O-N 2.81Å; N422-Q426 WeakPolarHBondContact O-CB 3.29Å; N422-Q426 VanDerWaalsContact O-CG 3.31Å; N422-Q426 WeakPolarHBondContact O-CG 3.43Å; N422-Q426 PolarHBondContact O-N 2.85Å; N422-Q426 PolarHBondContact OD1-NE2 2.81Å
423	L	89.6	Confident	86.7	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-45.7	174.2	178.9	54.9	0	0	0	112.3	M333 M336 K337 V341 L389 S419 F420 A425 Q426 C427	M333-L423 HydrophobicContact CE-CB 4.24Å; M333-L423 HydrophobicContact CE-CD2 4.22Å; M333-L423 HydrophobicContact SD-CB 4.5Å; M333-L423 HydrophobicContact SD-CD2 3.97Å; M336-L423 HydrophobicContact CG-CD2 4.33Å; K337-L423 HydrophobicContact CB-CD1 3.84Å; K337-L423 HydrophobicContact CB-CD2 4.37Å; K337-L423 HydrophobicContact CG-CD1 3.88Å; V341-L423 HydrophobicContact CG2-CD1 4.25Å; L389-L423 HydrophobicContact CD1-CD2 3.89Å; L389-L423 HydrophobicContact CD1-CG 4.05Å; L389-L423 HydrophobicContact CD2-CG 4.28Å; S419-L423 WeakPolarHBondContact O-CB 3.35Å; S419-L423 PolarHBondContact O-N 2.84Å; F420-L423 PolarHBondContact O-N 3.39Å; L423-A425 PolarHBondContact O-N 3.16Å; L423-Q426 PolarHBondContact O-N 2.92Å; L423-C427 VanDerWaalsContact O-CB 3.29Å; L423-C427 WeakPolarHBondContact O-CB 3.47Å; L423-C427 PolarHBondContact O-N 2.99Å; L423-C427 PolarHBondContact O-SG 2.94Å
424	S	86.6	Confident	86.9	Confident	16 Å²	16	51.9 Å²	51.9	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-50.5	173.2	163	0	0	0	0	111.6	D390 F420 K421 Q426 C427 Q428	D390-S424 VanDerWaalsContact OD1-CB 3.31Å; D390-S424 WeakPolarHBondContact OD1-CB 3.31Å; D390-S424 PolarHBondContact OD1-OG 3.45Å; F420-S424 WeakPolarHBondContact O-CB 3.18Å; F420-S424 PolarHBondContact O-N 3.29Å; K421-S424 PolarHBondContact O-N 2.7Å; S424-Q426 PolarHBondContact O-N 3.26Å; S424-C427 WeakPolarHBondContact O-CB 3.42Å; S424-C427 PolarHBondContact O-N 2.9Å; S424-Q428 WeakPolarHBondContact O-CG 3.31Å; S424-Q428 PolarHBondContact O-N 3.23Å
425	A	87.9	Confident	87.1	Confident	52 Å²	52	52 Å²	52	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-42.3	178	0	0	0	0	0	113	K421 N422 L423 Q428 E429	K421-A425 PolarHBondContact O-N 2.8Å; N422-A425 PolarHBondContact O-N 2.81Å; L423-A425 PolarHBondContact O-N 3.16Å; A425-Q428 PolarHBondContact O-N 3.06Å; A425-E429 PolarHBondContact O-N 3.35Å
426	Q	86.6	Confident	87	Confident	61 Å²	61	47.2 Å²	47.2	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-43.5	175.3	-73.9	174.7	33.5	0	0	111.7	N422 L423 S424 Q428 E429 V430	N422-Q426 WeakPolarHBondContact O-CB 3.29Å; N422-Q426 VanDerWaalsContact O-CG 3.31Å; N422-Q426 WeakPolarHBondContact O-CG 3.43Å; N422-Q426 PolarHBondContact O-N 2.85Å; N422-Q426 PolarHBondContact OD1-NE2 2.81Å; L423-Q426 PolarHBondContact O-N 2.92Å; S424-Q426 PolarHBondContact O-N 3.26Å; Q426-Q428 VanDerWaalsContact C-N 3.34Å; Q426-Q428 PolarHBondContact O-N 2.67Å; Q426-E429 PolarHBondContact O-N 3.19Å; Q426-V430 WeakPolarHBondContact O-CB 3.34Å; Q426-V430 VanDerWaalsContact O-CG2 3.23Å; Q426-V430 WeakPolarHBondContact O-CG2 3.43Å; Q426-V430 PolarHBondContact O-N 3.29Å
427	C	87.5	Confident	87	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.034	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-40.9	175.7	-78.9	0	0	0	0	112.5	C344 L389 L423 S424 R431	C344-C427 WeakPolarHBondContact SG-CB 3.38Å; C344-C427 PolarHBondContact SG-O 2.95Å; C344-C427 VanDerWaalsContact SG-SG 3.63Å; L389-C427 HydrophobicContact CD2-CB 3.82Å; L389-C427 VanDerWaalsContact CD2-SG 3.59Å; L423-C427 VanDerWaalsContact O-CB 3.29Å; L423-C427 WeakPolarHBondContact O-CB 3.47Å; L423-C427 PolarHBondContact O-N 2.99Å; L423-C427 PolarHBondContact O-SG 2.94Å; S424-C427 WeakPolarHBondContact O-CB 3.42Å; S424-C427 PolarHBondContact O-N 2.9Å; C427-R431 WeakPolarHBondContact O-CB 3.38Å; C427-R431 PolarHBondContact O-N 2.88Å; C427-R431 VanDerWaalsContact O-N 3.1Å
428	Q	86.2	Confident	87	Confident	93 Å²	93	48.8 Å²	48.8	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-46.6	176.8	-71.5	174.4	3.4	0	0	112	D390 S424 A425 Q426 R431 K432	D390-Q428 PolarHBondContact OD2-NE2 3.41Å; S424-Q428 WeakPolarHBondContact O-CG 3.31Å; S424-Q428 PolarHBondContact O-N 3.23Å; A425-Q428 PolarHBondContact O-N 3.06Å; Q426-Q428 VanDerWaalsContact C-N 3.34Å; Q426-Q428 PolarHBondContact O-N 2.67Å; Q428-R431 PolarHBondContact O-N 2.7Å; Q428-K432 WeakPolarHBondContact O-CB 3.36Å; Q428-K432 PolarHBondContact O-N 3.38Å
429	E	85.8	Confident	86.9	Confident	99 Å²	99	50.7 Å²	50.7	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-67.9	-39.3	179.3	-168.7	59.6	-146.2	0	0	111.8	A425 Q426 R431 K432 R433	A425-E429 PolarHBondContact O-N 3.35Å; Q426-E429 PolarHBondContact O-N 3.19Å; E429-R431 VanDerWaalsContact C-N 3.34Å; E429-R431 PolarHBondContact O-N 3.43Å; E429-K432 VanDerWaalsContact CD-NZ 3.34Å; E429-K432 PolarHBondContact O-N 3.04Å; E429-K432 IonicContact OE1-NZ 3.99Å; E429-K432 PolarHBondContact OE1-NZ 3.3Å; E429-K432 IonicContact OE2-NZ 3.85Å; E429-K432 PolarHBondContact OE2-NZ 2.96Å; E429-R433 VanDerWaalsContact O-CB 3.24Å; E429-R433 WeakPolarHBondContact O-CB 3.29Å; E429-R433 PolarHBondContact O-N 3.01Å
430	V	87.3	Confident	86.7	Confident	30 Å²	30	49.1 Å²	49.1	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.7	167	0	0	0	0	111.6	V341 C344 S345 Q426 R433 K434	V341-V430 HydrophobicContact CG1-CG1 4.5Å; V341-V430 HydrophobicContact CG1-CG2 4.29Å; C344-V430 HydrophobicContact CB-CB 4.4Å; C344-V430 HydrophobicContact CB-CG1 3.98Å; S345-V430 VanDerWaalsContact OG-CG1 3.29Å; S345-V430 WeakPolarHBondContact OG-CG1 3.34Å; Q426-V430 WeakPolarHBondContact O-CB 3.34Å; Q426-V430 VanDerWaalsContact O-CG2 3.23Å; Q426-V430 WeakPolarHBondContact O-CG2 3.43Å; Q426-V430 PolarHBondContact O-N 3.29Å; V430-R433 PolarHBondContact O-N 2.9Å; V430-K434 WeakPolarHBondContact O-CB 3.27Å; V430-K434 PolarHBondContact O-N 3.37Å
431	R	84.9	Confident	86.4	Confident	28 Å²	28	50.9 Å²	50.9	11%	0.106	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-49.8	176.5	-177.7	-175.9	176.9	-175.2	2.1	111.3	H347 P348 C427 Q428 E429 R433 K434 E435 A697	H347-R431 PolarHBondContact NE2-NH2 2.99Å; P348-R431 HydrophobicContact CG-CG 4.06Å; C427-R431 WeakPolarHBondContact O-CB 3.38Å; C427-R431 PolarHBondContact O-N 2.88Å; C427-R431 VanDerWaalsContact O-N 3.1Å; Q428-R431 PolarHBondContact O-N 2.7Å; E429-R431 VanDerWaalsContact C-N 3.34Å; E429-R431 PolarHBondContact O-N 3.43Å; R431-R433 VanDerWaalsContact C-N 3.33Å; R431-R433 PolarHBondContact O-N 3.37Å; R431-K434 PolarHBondContact O-N 3.44Å; R431-E435 WeakPolarHBondContact O-CB 3.49Å; R431-E435 PolarHBondContact O-N 3.46Å; R431-A697 PolarHBondContact NH1-O 3.37Å; R431-A697 PolarHBondContact NH2-O 3.01Å
432	K	85.8	Confident	86	Confident	98 Å²	98	48.5 Å²	48.5	43%	0.426	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-41.5	177.5	175.3	-178.4	153.9	-126.7	0	112	Q428 E429 E435 L436	Q428-K432 WeakPolarHBondContact O-CB 3.36Å; Q428-K432 PolarHBondContact O-N 3.38Å; E429-K432 VanDerWaalsContact CD-NZ 3.34Å; E429-K432 PolarHBondContact O-N 3.04Å; E429-K432 IonicContact OE1-NZ 3.99Å; E429-K432 PolarHBondContact OE1-NZ 3.3Å; E429-K432 IonicContact OE2-NZ 3.85Å; E429-K432 PolarHBondContact OE2-NZ 2.96Å; K432-E435 PolarHBondContact O-N 3.33Å; K432-L436 WeakPolarHBondContact O-CB 3.32Å; K432-L436 PolarHBondContact O-N 3.35Å
433	R	86	Confident	85.7	Confident	38 Å²	38	47.7 Å²	47.7	14%	0.143	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175	-167.5	-173.4	83.1	69.1	-9.9	111.6	E429 V430 R431 E437 M462	E429-R433 VanDerWaalsContact O-CB 3.24Å; E429-R433 WeakPolarHBondContact O-CB 3.29Å; E429-R433 PolarHBondContact O-N 3.01Å; V430-R433 PolarHBondContact O-N 2.9Å; R431-R433 VanDerWaalsContact C-N 3.33Å; R431-R433 PolarHBondContact O-N 3.37Å; R433-E437 IonicContact NH1-OE2 3.61Å; R433-E437 PolarHBondContact NH1-OE2 3.06Å; R433-E437 WeakPolarHBondContact O-CB 3.42Å; R433-E437 PolarHBondContact O-N 3.4Å; R433-M462 WeakPolarHBondContact CD-O 3.29Å; R433-M462 HydrophobicContact CG-CG 4.19Å; R433-M462 VanDerWaalsContact CG-O 3.25Å; R433-M462 WeakPolarHBondContact CG-O 3.43Å; R433-M462 VanDerWaalsContact NH1-N 3.17Å
434	K	87.5	Confident	85.1	Confident	32 Å²	32	53.8 Å²	53.8	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-76.4	-29.6	179	-76.1	-59	-160.2	-176.3	0	114.1	P348 V430 R431 E437 L438	P348-K434 HydrophobicContact CB-CB 4.43Å; P348-K434 HydrophobicContact CG-CB 3.88Å; V430-K434 WeakPolarHBondContact O-CB 3.27Å; V430-K434 PolarHBondContact O-N 3.37Å; R431-K434 PolarHBondContact O-N 3.44Å; K434-E437 HydrophobicContact CD-CB 4.34Å; K434-E437 WeakPolarHBondContact CD-OE1 3.47Å; K434-E437 VanDerWaalsContact CD-OE2 3.28Å; K434-E437 WeakPolarHBondContact CD-OE2 3.15Å; K434-E437 WeakPolarHBondContact CE-OE2 3.21Å; K434-E437 IonicContact NZ-OE1 3.06Å; K434-E437 PolarHBondContact NZ-OE1 2.99Å; K434-E437 IonicContact NZ-OE2 2.82Å; K434-E437 PolarHBondContact NZ-OE2 3.03Å; K434-E437 PolarHBondContact O-N 2.76Å; K434-L438 VanDerWaalsContact O-CB 3.3Å; K434-L438 WeakPolarHBondContact O-CB 3.4Å; K434-L438 PolarHBondContact O-N 2.88Å
435	E	86.6	Confident	85	Confident	89 Å²	89	54.1 Å²	54.1	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-46.2	169	-177.9	171.6	-154.5	0	0	110.6	P348 R431 K432 L438 Q439 S701	P348-E435 HydrophobicContact CB-CB 4.35Å; P348-E435 HydrophobicContact CG-CB 4.44Å; R431-E435 WeakPolarHBondContact O-CB 3.49Å; R431-E435 PolarHBondContact O-N 3.46Å; K432-E435 PolarHBondContact O-N 3.33Å; E435-L438 PolarHBondContact O-N 3.03Å; E435-Q439 WeakPolarHBondContact O-CB 3.25Å; E435-Q439 PolarHBondContact O-N 3.4Å; E435-S701 PolarHBondContact OE2-OG 3.17Å
436	L	85.3	Confident	84.6	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.199	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-39.7	174.9	-175.2	64.5	0	0	0	112.8	K432 L438 Q439 I440 M462 Y479 F499	K432-L436 WeakPolarHBondContact O-CB 3.32Å; K432-L436 PolarHBondContact O-N 3.35Å; L436-L438 VanDerWaalsContact C-N 3.3Å; L436-L438 PolarHBondContact O-N 3.22Å; L436-Q439 PolarHBondContact O-N 3.21Å; L436-I440 HydrophobicContact CD1-CD1 4.35Å; L436-I440 HydrophobicContact CG-CD1 4.06Å; L436-I440 VanDerWaalsContact O-CG1 3.32Å; L436-I440 WeakPolarHBondContact O-CG1 3.39Å; L436-I440 PolarHBondContact O-N 2.87Å; L436-M462 HydrophobicContact CB-CE 4.1Å; L436-M462 HydrophobicContact CD2-CE 3.65Å; L436-M462 HydrophobicContact CG-CE 3.79Å; L436-Y479 HydrophobicContact CD2-CD1 3.94Å; L436-Y479 HydrophobicContact CD2-CE1 3.62Å; L436-F499 HydrophobicContact CD1-CE1 4.18Å; L436-F499 HydrophobicContact CD1-CZ 3.7Å
437	E	86.8	Confident	84.4	Confident	19 Å²	19	61 Å²	61	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-48	173.3	-164.4	180	104.8	0	0	111.1	R433 K434 I440 L441 V459 M462 M481	R433-E437 IonicContact NH1-OE2 3.61Å; R433-E437 PolarHBondContact NH1-OE2 3.06Å; R433-E437 WeakPolarHBondContact O-CB 3.42Å; R433-E437 PolarHBondContact O-N 3.4Å; K434-E437 HydrophobicContact CD-CB 4.34Å; K434-E437 WeakPolarHBondContact CD-OE1 3.47Å; K434-E437 VanDerWaalsContact CD-OE2 3.28Å; K434-E437 WeakPolarHBondContact CD-OE2 3.15Å; K434-E437 WeakPolarHBondContact CE-OE2 3.21Å; K434-E437 IonicContact NZ-OE1 3.06Å; K434-E437 PolarHBondContact NZ-OE1 2.99Å; K434-E437 IonicContact NZ-OE2 2.82Å; K434-E437 PolarHBondContact NZ-OE2 3.03Å; K434-E437 PolarHBondContact O-N 2.76Å; E437-I440 PolarHBondContact O-N 3.33Å; E437-L441 HydrophobicContact CG-CD1 4.26Å; E437-L441 WeakPolarHBondContact O-CB 3.36Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.45Å; E437-L441 PolarHBondContact O-N 3.24Å; E437-V459 VanDerWaalsContact CD-CB 3.5Å; E437-V459 HydrophobicContact CG-CB 3.91Å; E437-V459 HydrophobicContact CG-CG1 3.96Å; E437-V459 HydrophobicContact CG-CG2 3.96Å; E437-V459 WeakPolarHBondContact OE2-CG1 3.44Å; E437-M462 WeakPolarHBondContact CA-SD 3.44Å; E437-M462 HydrophobicContact CB-CG 4.29Å; E437-M462 HydrophobicContact CB-SD 3.39Å; E437-M462 WeakPolarHBondContact CB-SD 3.33Å; E437-M462 HydrophobicContact CG-CG 4.23Å; E437-M462 HydrophobicContact CG-SD 3.65Å; E437-M481 HydrophobicContact CG-CE 4.25Å
438	L	85.3	Confident	84.3	Confident	32 Å²	32	63.9 Å²	63.9	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-69.7	-36.5	179.9	-172.6	58	0	0	0	112.4	P348 N352 K434 E435 L436 L441 T442	P348-L438 VanDerWaalsContact C-CD2 3.48Å; P348-L438 HydrophobicContact CB-CD2 4.24Å; P348-L438 WeakPolarHBondContact O-CD2 3.12Å; N352-L438 HydrophobicContact CB-CD2 3.55Å; N352-L438 HydrophobicContact CB-CG 4.33Å; K434-L438 VanDerWaalsContact O-CB 3.3Å; K434-L438 WeakPolarHBondContact O-CB 3.4Å; K434-L438 PolarHBondContact O-N 2.88Å; E435-L438 PolarHBondContact O-N 3.03Å; L436-L438 VanDerWaalsContact C-N 3.3Å; L436-L438 PolarHBondContact O-N 3.22Å; L438-L441 PolarHBondContact O-N 3.26Å; L438-T442 HydrophobicContact CD1-CG2 4.21Å; L438-T442 WeakPolarHBondContact O-CB 3.37Å; L438-T442 VanDerWaalsContact O-CG2 3.32Å; L438-T442 WeakPolarHBondContact O-CG2 3.17Å; L438-T442 PolarHBondContact O-N 3.34Å; L438-T442 PolarHBondContact O-OG1 2.92Å
439	Q	84.4	Confident	83.8	Confident	81 Å²	81	65.5 Å²	65.5	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-47	172.6	-172.3	-176.6	2.4	0	0	110.8	E435 L436 L441 T442 E443 F499	E435-Q439 WeakPolarHBondContact O-CB 3.25Å; E435-Q439 PolarHBondContact O-N 3.4Å; L436-Q439 PolarHBondContact O-N 3.21Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 3.01Å; Q439-T442 PolarHBondContact O-N 3.2Å; Q439-T442 PolarHBondContact O-OG1 3.44Å; Q439-E443 HydrophobicContact CG-CG 4.08Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.35Å; Q439-E443 PolarHBondContact NE2-OE1 2.84Å; Q439-E443 WeakPolarHBondContact O-CB 3.45Å; Q439-E443 WeakPolarHBondContact O-CG 3.35Å; Q439-E443 PolarHBondContact O-N 3.25Å; Q439-F499 HydrophobicContact CG-CE2 4.29Å
440	I	85.5	Confident	83.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-35	178.6	-65	163.8	0	0	0	111.9	L436 E437 T442 I445 I453 M462 M481 L490 F499	L436-I440 HydrophobicContact CD1-CD1 4.35Å; L436-I440 HydrophobicContact CG-CD1 4.06Å; L436-I440 VanDerWaalsContact O-CG1 3.32Å; L436-I440 WeakPolarHBondContact O-CG1 3.39Å; L436-I440 PolarHBondContact O-N 2.87Å; E437-I440 PolarHBondContact O-N 3.33Å; I440-T442 VanDerWaalsContact C-N 3.32Å; I440-I445 HydrophobicContact CG2-CD1 3.9Å; I440-I445 HydrophobicContact CG2-CG1 4.45Å; I440-I453 HydrophobicContact CG2-CD1 4.33Å; I440-M462 HydrophobicContact CD1-CE 4.25Å; I440-M481 HydrophobicContact CB-CE 4.33Å; I440-M481 HydrophobicContact CB-SD 4.21Å; I440-M481 HydrophobicContact CD1-SD 3.96Å; I440-M481 HydrophobicContact CG2-CE 4.05Å; I440-M481 HydrophobicContact CG2-SD 3.56Å; I440-M481 VanDerWaalsContact CG2-SD 3.56Å; I440-L490 HydrophobicContact CD1-CD1 4.44Å; I440-L490 HydrophobicContact CG2-CD1 3.45Å; I440-L490 VanDerWaalsContact CG2-CD1 3.45Å; I440-F499 HydrophobicContact CD1-CD1 4.33Å; I440-F499 HydrophobicContact CD1-CE1 4.01Å; I440-F499 HydrophobicContact CD1-CZ 4.2Å; I440-F499 HydrophobicContact CG1-CD1 4.04Å; I440-F499 HydrophobicContact CG1-CD2 3.84Å; I440-F499 HydrophobicContact CG1-CE1 3.8Å; I440-F499 HydrophobicContact CG1-CE2 3.61Å; I440-F499 HydrophobicContact CG1-CG 4.06Å; I440-F499 HydrophobicContact CG1-CZ 3.59Å
441	L	82.3	Confident	82.5	Confident	37 Å²	37	68 Å²	68	19%	0.194	34%	0.344	C	S	.	.	H	α-helix	trans	-77.6	-11.9	177.6	-69.1	171.1	0	0	0	114.4	E437 L438 Q439 I453 V459	E437-L441 HydrophobicContact CG-CD1 4.26Å; E437-L441 WeakPolarHBondContact O-CB 3.36Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.45Å; E437-L441 PolarHBondContact O-N 3.24Å; L438-L441 PolarHBondContact O-N 3.26Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 3.01Å; L441-I453 HydrophobicContact CD2-CB 4.47Å; L441-I453 HydrophobicContact CD2-CD1 3.93Å; L441-I453 HydrophobicContact CD2-CG1 3.81Å; L441-I453 HydrophobicContact CD2-CG2 3.9Å; L441-V459 HydrophobicContact CD1-CG2 4.21Å
442	T	79.9	Confident	82.3	Confident	77 Å²	77	70.8 Å²	70.8	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-112.4	-29.4	-179.5	52.7	0	0	0	0	113.5	L438 Q439 I440	L438-T442 HydrophobicContact CD1-CG2 4.21Å; L438-T442 WeakPolarHBondContact O-CB 3.37Å; L438-T442 VanDerWaalsContact O-CG2 3.32Å; L438-T442 WeakPolarHBondContact O-CG2 3.17Å; L438-T442 PolarHBondContact O-N 3.34Å; L438-T442 PolarHBondContact O-OG1 2.92Å; Q439-T442 PolarHBondContact O-N 3.2Å; Q439-T442 PolarHBondContact O-OG1 3.44Å; I440-T442 VanDerWaalsContact C-N 3.32Å
443	E	81.9	Confident	82.1	Confident	74 Å²	74	66.7 Å²	66.7	35%	0.346	34%	0.344	S	S	.	.	S	Bend	trans	-76.6	156.8	172.4	-73.1	-171.1	-174.4	0	0	112.8	Q439 I445	Q439-E443 HydrophobicContact CG-CG 4.08Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.35Å; Q439-E443 PolarHBondContact NE2-OE1 2.84Å; Q439-E443 WeakPolarHBondContact O-CB 3.45Å; Q439-E443 WeakPolarHBondContact O-CG 3.35Å; Q439-E443 PolarHBondContact O-N 3.25Å; E443-I445 PolarHBondContact O-N 2.85Å
444	T	78.2	Confident	81.7	Confident	130 Å²	130	71.4 Å²	71.4	80%	0.798	37%	0.366	S	S	*	.			trans	-81.8	109.9	175	47	0	0	0	0	111.3	R446	T444-R446 PolarHBondContact O-N 2.82Å
445	I	84.5	Confident	81.3	Confident	23 Å²	23	74.3 Å²	74.3	12%	0.118	39%	0.386	C	S	.	.			trans	-71.2	126	175.8	-57.1	172.4	0	0	0	109.7	I440 E443 W448 I453 L490 F501	I440-I445 HydrophobicContact CG2-CD1 3.9Å; I440-I445 HydrophobicContact CG2-CG1 4.45Å; E443-I445 PolarHBondContact O-N 2.85Å; I445-W448 HydrophobicContact CB-CB 4.49Å; I445-W448 HydrophobicContact CB-CE3 4.24Å; I445-W448 HydrophobicContact CD1-CE3 3.94Å; I445-W448 HydrophobicContact CD1-CZ3 3.97Å; I445-W448 HydrophobicContact CG2-CE3 4.09Å; I445-I453 HydrophobicContact CD1-CD1 3.53Å; I445-L490 HydrophobicContact CD1-CD1 4.09Å; I445-L490 HydrophobicContact CD1-CD2 4.31Å; I445-L490 HydrophobicContact CG2-CD2 3.9Å; I445-F501 HydrophobicContact CG2-CB 4Å
446	R	79.5	Confident	80.8	Confident	125 Å²	125	72.5 Å²	72.5	47%	0.472	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-73.1	141.8	178	-61.1	174.9	179.6	-119.9	-8.7	110.5	T444 W448 S497 F499 I500 F501	T444-R446 PolarHBondContact O-N 2.82Å; R446-W448 PolarHBondContact O-N 3.38Å; R446-S497 PolarHBondContact NE-O 2.88Å; R446-S497 PolarHBondContact NH2-O 3.03Å; R446-S497 PolarHBondContact NH2-OG 3.47Å; R446-F499 PolarHBondContact N-O 2.86Å; R446-I500 HydrophobicContact CB-CG1 4.29Å; R446-F501 WeakPolarHBondContact O-CB 3.41Å; R446-F501 PolarHBondContact O-N 3.35Å
447	L	81.3	Confident	80.5	Confident	133 Å²	133	72.5 Å²	72.5	70%	0.696	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	29.4	-178.6	-52.7	174.4	0	0	0	113.6	E449 I500 F501	L447-E449 PolarHBondContact O-N 3.04Å; L447-I500 HydrophobicContact CD1-CG2 4.12Å; L447-F501 WeakPolarHBondContact O-CB 3.37Å; L447-F501 VanDerWaalsContact O-CD1 3.22Å; L447-F501 WeakPolarHBondContact O-CD1 3.29Å
448	W	84.5	Confident	80.3	Confident	66 Å²	66	76 Å²	76	25%	0.25	42%	0.415	C	S	.	.			trans	-62.3	128.7	177.2	-177.3	-103.2	0	0	0	112.3	I445 R446 G450 D451 I453 L456 L488 F501	I445-W448 HydrophobicContact CB-CB 4.49Å; I445-W448 HydrophobicContact CB-CE3 4.24Å; I445-W448 HydrophobicContact CD1-CE3 3.94Å; I445-W448 HydrophobicContact CD1-CZ3 3.97Å; I445-W448 HydrophobicContact CG2-CE3 4.09Å; R446-W448 PolarHBondContact O-N 3.38Å; W448-G450 PolarHBondContact NE1-O 2.89Å; W448-D451 PolarHBondContact NE1-O 2.86Å; W448-I453 HydrophobicContact CH2-CB 3.85Å; W448-I453 HydrophobicContact CH2-CD1 4.07Å; W448-I453 HydrophobicContact CH2-CG1 3.81Å; W448-I453 HydrophobicContact CZ2-CB 3.85Å; W448-I453 HydrophobicContact CZ2-CG1 4.29Å; W448-I453 HydrophobicContact CZ3-CB 4.48Å; W448-I453 HydrophobicContact CZ3-CD1 4.18Å; W448-I453 HydrophobicContact CZ3-CG1 4.4Å; W448-L456 HydrophobicContact CH2-CD1 3.77Å; W448-L456 HydrophobicContact CZ2-CD1 4.09Å; W448-L488 HydrophobicContact CH2-CD1 4.06Å; W448-L488 HydrophobicContact CH2-CD2 4.06Å; W448-L488 HydrophobicContact CZ3-CD1 3.66Å; W448-L488 HydrophobicContact CZ3-CD2 3.84Å; W448-L488 HydrophobicContact CZ3-CG 4.43Å; W448-F501 AromaticContact CE3-CD2 3.69Å; W448-F501 HydrophobicContact CE3-CD2 3.69Å; W448-F501 HydrophobicContact CE3-CE2 4.23Å; W448-F501 HydrophobicContact CE3-CG 4.39Å; W448-F501 AromaticContact CZ3-CD2 3.81Å; W448-F501 HydrophobicContact CZ3-CD2 3.81Å; W448-F501 HydrophobicContact CZ3-CE2 4.08Å
449	E	75.9	Confident	80.3	Confident	126 Å²	126	75 Å²	75	59%	0.589	41%	0.41	S	S	*	.			trans	-116.8	90.3	-177.9	-66.5	-175.4	171.5	0	0	112.4	L447 F501 K504	L447-E449 PolarHBondContact O-N 3.04Å; E449-F501 HydrophobicContact CB-CD1 4.33Å; E449-F501 HydrophobicContact CB-CE1 3.76Å; E449-F501 HydrophobicContact CB-CZ 4.23Å; E449-F501 HydrophobicContact CG-CD1 4.15Å; E449-F501 HydrophobicContact CG-CE1 3.9Å; E449-K504 PolarHBondContact O-NZ 3.39Å
450	G	72.8	Confident	80.3	Confident	53 Å²	53	72.9 Å²	72.9	55%	0.546	40%	0.401	S	S	.	.	S	Bend	trans	145.9	-167.1	173.3	0	0	0	0	0	112.7	W448	W448-G450 PolarHBondContact NE1-O 2.89Å
451	D	74.9	Confident	80.4	Confident	128 Å²	128	74 Å²	74	68%	0.684	41%	0.406	S	S	*	.	S	Bend	trans	-62.4	163.9	170.5	-56.2	-63.9	0	0	0	111.7	W448 I453 T455	W448-D451 PolarHBondContact NE1-O 2.86Å; D451-I453 PolarHBondContact O-N 3.37Å; D451-T455 HydrophobicContact CB-CG2 4.14Å
452	D	78.7	Confident	80.8	Confident	87 Å²	87	72.3 Å²	72.3	47%	0.465	40%	0.397	S	S	.	.			trans	-45.1	135.9	178.9	-176.6	-31.5	0	0	0	111.1	K454 T455	D452-K454 PolarHBondContact O-N 2.93Å; D452-K454 WeakPolarHBondContact OD1-CB 3.43Å; D452-K454 WeakPolarHBondContact OD1-CG 3.25Å; D452-K454 PolarHBondContact OD1-N 2.84Å; D452-T455 HydrophobicContact CB-CG2 4.34Å; D452-T455 WeakPolarHBondContact O-CB 3.49Å; D452-T455 WeakPolarHBondContact O-CG2 3.47Å; D452-T455 PolarHBondContact O-N 3.27Å; D452-T455 PolarHBondContact O-OG1 3.49Å
453	I	81.6	Confident	81.3	Confident	13 Å²	13	69.4 Å²	69.4	7%	0.067	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-49.9	-29.7	178.4	-171.3	165.5	0	0	0	112.9	I440 L441 I445 W448 D451 T455 L456 F483 L488	I440-I453 HydrophobicContact CG2-CD1 4.33Å; L441-I453 HydrophobicContact CD2-CB 4.47Å; L441-I453 HydrophobicContact CD2-CD1 3.93Å; L441-I453 HydrophobicContact CD2-CG1 3.81Å; L441-I453 HydrophobicContact CD2-CG2 3.9Å; I445-I453 HydrophobicContact CD1-CD1 3.53Å; W448-I453 HydrophobicContact CH2-CB 3.85Å; W448-I453 HydrophobicContact CH2-CD1 4.07Å; W448-I453 HydrophobicContact CH2-CG1 3.81Å; W448-I453 HydrophobicContact CZ2-CB 3.85Å; W448-I453 HydrophobicContact CZ2-CG1 4.29Å; W448-I453 HydrophobicContact CZ3-CB 4.48Å; W448-I453 HydrophobicContact CZ3-CD1 4.18Å; W448-I453 HydrophobicContact CZ3-CG1 4.4Å; D451-I453 PolarHBondContact O-N 3.37Å; I453-T455 PolarHBondContact O-N 3.12Å; I453-L456 HydrophobicContact CG1-CD1 4.39Å; I453-L456 WeakPolarHBondContact O-CB 3.32Å; I453-L456 PolarHBondContact O-N 2.81Å; I453-F483 HydrophobicContact CD1-CZ 4.16Å; I453-F483 HydrophobicContact CG1-CZ 3.85Å; I453-L488 HydrophobicContact CD1-CD2 3.67Å; I453-L488 HydrophobicContact CG1-CD2 4.42Å
454	K	77.9	Confident	81.6	Confident	136 Å²	136	70.1 Å²	70.1	59%	0.591	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.4	175.4	-64.4	167.1	-171	165.3	0	113.6	D452 L456 G457	D452-K454 PolarHBondContact O-N 2.93Å; D452-K454 WeakPolarHBondContact OD1-CB 3.43Å; D452-K454 WeakPolarHBondContact OD1-CG 3.25Å; D452-K454 PolarHBondContact OD1-N 2.84Å; K454-L456 VanDerWaalsContact C-N 3.26Å; K454-L456 PolarHBondContact O-N 3.5Å; K454-G457 PolarHBondContact O-N 2.83Å
455	T	79.6	Confident	82.2	Confident	94 Å²	94	64.1 Å²	64.1	58%	0.577	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-72.9	-18.1	177.4	67.1	0	0	0	0	113.1	D451 D452 I453 G457	D451-T455 HydrophobicContact CB-CG2 4.14Å; D452-T455 HydrophobicContact CB-CG2 4.34Å; D452-T455 WeakPolarHBondContact O-CB 3.49Å; D452-T455 WeakPolarHBondContact O-CG2 3.47Å; D452-T455 PolarHBondContact O-N 3.27Å; D452-T455 PolarHBondContact O-OG1 3.49Å; I453-T455 PolarHBondContact O-N 3.12Å; T455-G457 PolarHBondContact O-N 3.07Å
456	L	77.2	Confident	82.5	Confident	50 Å²	50	66 Å²	66	26%	0.262	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-71.9	-9.4	176.1	-58.5	-179.9	0	0	0	113.2	W448 I453 K454 F483	W448-L456 HydrophobicContact CH2-CD1 3.77Å; W448-L456 HydrophobicContact CZ2-CD1 4.09Å; I453-L456 HydrophobicContact CG1-CD1 4.39Å; I453-L456 WeakPolarHBondContact O-CB 3.32Å; I453-L456 PolarHBondContact O-N 2.81Å; K454-L456 VanDerWaalsContact C-N 3.26Å; K454-L456 PolarHBondContact O-N 3.5Å; L456-F483 HydrophobicContact CB-CB 4.22Å; L456-F483 HydrophobicContact CB-CD1 3.48Å; L456-F483 VanDerWaalsContact CB-CD1 3.48Å; L456-F483 HydrophobicContact CB-CD2 4.29Å; L456-F483 HydrophobicContact CB-CE1 3.78Å; L456-F483 HydrophobicContact CB-CG 3.75Å; L456-F483 HydrophobicContact CB-CZ 4.32Å; L456-F483 HydrophobicContact CD1-CD2 4.22Å; L456-F483 HydrophobicContact CD1-CE2 4.12Å; L456-F483 HydrophobicContact CD1-CG 4.5Å; L456-F483 HydrophobicContact CD1-CZ 4.29Å
457	G	78.8	Confident	83	Confident	39 Å²	39	60.5 Å²	60.5	40%	0.402	34%	0.336	S	S	.	.			trans	95.5	-165	178.9	0	0	0	0	0	113.5	K454 T455 F483	K454-G457 PolarHBondContact O-N 2.83Å; T455-G457 PolarHBondContact O-N 3.07Å; G457-F483 WeakPolarHBondContact O-CD1 3.27Å; G457-F483 WeakPolarHBondContact O-CE1 3.4Å
458	S	81.1	Confident	83.3	Confident	91 Å²	91	55.4 Å²	55.4	64%	0.636	31%	0.309	S	S	*	.			trans	-75.5	135.1	179.5	51.1	0	0	0	0	112	I460	S458-I460 PolarHBondContact O-N 3.39Å
459	V	85.4	Confident	83.1	Confident	12 Å²	12	54.4 Å²	54.4	7%	0.073	31%	0.312	C	S	.	.			trans	-69.8	117.3	173.1	-177.3	0	0	0	0	109	E437 L441 M462 M481 F483	E437-V459 VanDerWaalsContact CD-CB 3.5Å; E437-V459 HydrophobicContact CG-CB 3.91Å; E437-V459 HydrophobicContact CG-CG1 3.96Å; E437-V459 HydrophobicContact CG-CG2 3.96Å; E437-V459 WeakPolarHBondContact OE2-CG1 3.44Å; L441-V459 HydrophobicContact CD1-CG2 4.21Å; V459-M462 HydrophobicContact CG1-CB 4.23Å; V459-M462 HydrophobicContact CG1-CG 4.22Å; V459-M481 HydrophobicContact CG1-CB 4.48Å; V459-M481 HydrophobicContact CG1-CE 4.35Å; V459-M481 HydrophobicContact CG2-CE 3.69Å; V459-F483 HydrophobicContact CG2-CD1 4.21Å; V459-F483 HydrophobicContact CG2-CE1 3.53Å; V459-F483 HydrophobicContact CG2-CE2 4.41Å; V459-F483 HydrophobicContact CG2-CZ 3.65Å
460	I	85.6	Confident	82.9	Confident	37 Å²	37	52.4 Å²	52.4	19%	0.19	31%	0.31	C	S	.	.			trans	-78.5	-48.8	-179.9	-65.6	149.9	0	0	0	109.8	S458 L482 P484 Q555	S458-I460 PolarHBondContact O-N 3.39Å; I460-L482 HydrophobicContact CB-CD2 4.4Å; I460-L482 HydrophobicContact CB-CG 4.32Å; I460-L482 HydrophobicContact CD1-CG 4.32Å; I460-L482 HydrophobicContact CG2-CD2 4.23Å; I460-L482 PolarHBondContact N-O 3.41Å; I460-P484 HydrophobicContact CD1-CB 4.33Å; I460-P484 HydrophobicContact CD1-CG 4.02Å; I460-Q555 VanDerWaalsContact CD1-CD 3.49Å; I460-Q555 HydrophobicContact CD1-CG 3.75Å; I460-Q555 VanDerWaalsContact CD1-NE2 3.32Å
461	Y	87.8	Confident	82.5	Confident	23 Å²	23	57.8 Å²	57.8	9%	0.09	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.1	-179.8	-161.6	-103	0	0	0	110.7	L482 D544 D547 W548 H551	Y461-L482 WeakPolarHBondContact O-CB 3.45Å; Y461-L482 PolarHBondContact O-N 3.31Å; Y461-D544 WeakPolarHBondContact CE1-OD1 3.08Å; Y461-D544 PolarHBondContact OH-OD1 3.23Å; Y461-D547 HydrophobicContact CE1-CB 4.48Å; Y461-D547 HydrophobicContact CE2-CB 3.98Å; Y461-D547 PolarHBondContact OH-OD2 2.91Å; Y461-W548 AromaticContact CD1-CD2 3.82Å; Y461-W548 HydrophobicContact CD1-CD2 3.82Å; Y461-W548 AromaticContact CD1-CE2 3.62Å; Y461-W548 HydrophobicContact CD1-CE3 4.21Å; Y461-W548 HydrophobicContact CD1-CG 4.25Å; Y461-W548 HydrophobicContact CD1-CH2 4.24Å; Y461-W548 AromaticContact CD1-CZ2 3.83Å; Y461-W548 HydrophobicContact CD1-CZ2 3.83Å; Y461-W548 HydrophobicContact CD1-CZ3 4.43Å; Y461-W548 AromaticContact CD1-NE1 3.95Å; Y461-W548 AromaticContact CE1-CD1 3.82Å; Y461-W548 HydrophobicContact CE1-CD2 4.13Å; Y461-W548 AromaticContact CE1-CE2 3.8Å; Y461-W548 HydrophobicContact CE1-CG 4.15Å; Y461-W548 HydrophobicContact CE1-CZ2 4.33Å; Y461-W548 AromaticContact CE1-NE1 3.62Å; Y461-H551 AromaticContact CD2-CD2 3.43Å; Y461-H551 VanDerWaalsContact CD2-CD2 3.43Å; Y461-H551 WeakPolarHBondContact CD2-CD2 3.29Å; Y461-H551 AromaticContact CD2-NE2 3.42Å; Y461-H551 WeakPolarHBondContact CD2-NE2 3.45Å; Y461-H551 AromaticContact CG-CD2 3.6Å
462	M	89.8	Confident	82.2	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	143.7	171	59.5	155.8	-81.1	0	0	111.4	R433 L436 E437 I440 V459 L480 M481	R433-M462 WeakPolarHBondContact CD-O 3.29Å; R433-M462 HydrophobicContact CG-CG 4.19Å; R433-M462 VanDerWaalsContact CG-O 3.25Å; R433-M462 WeakPolarHBondContact CG-O 3.43Å; R433-M462 VanDerWaalsContact NH1-N 3.17Å; L436-M462 HydrophobicContact CB-CE 4.1Å; L436-M462 HydrophobicContact CD2-CE 3.65Å; L436-M462 HydrophobicContact CG-CE 3.79Å; E437-M462 WeakPolarHBondContact CA-SD 3.44Å; E437-M462 HydrophobicContact CB-CG 4.29Å; E437-M462 HydrophobicContact CB-SD 3.39Å; E437-M462 WeakPolarHBondContact CB-SD 3.33Å; E437-M462 HydrophobicContact CG-CG 4.23Å; E437-M462 HydrophobicContact CG-SD 3.65Å; I440-M462 HydrophobicContact CD1-CE 4.25Å; V459-M462 HydrophobicContact CG1-CB 4.23Å; V459-M462 HydrophobicContact CG1-CG 4.22Å; M462-L480 WeakPolarHBondContact CA-O 3.47Å; M462-L480 WeakPolarHBondContact CB-O 3.28Å; M462-M481 HydrophobicContact CB-CB 4.24Å; M462-M481 HydrophobicContact CB-CG 3.82Å; M462-M481 HydrophobicContact SD-CE 4.18Å; M462-M481 HydrophobicContact SD-CG 4.22Å
463	S	89.6	Confident	81.9	Confident	17 Å²	17	58.2 Å²	58.2	12%	0.119	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168.8	169.2	72.4	0	0	0	0	111.5	L480 D544 W548	S463-L480 PolarHBondContact N-O 3.25Å; S463-L480 PolarHBondContact O-N 3.05Å; S463-L480 VanDerWaalsContact O-N 3.09Å; S463-D544 WeakPolarHBondContact CB-OD1 3.18Å; S463-D544 PolarHBondContact OG-OD1 3.04Å; S463-D544 PolarHBondContact OG-OD2 2.75Å; S463-W548 PolarHBondContact OG-NE1 3.45Å
464	Q	89.6	Confident	81.9	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.411	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.6	172.1	-173.4	179.8	-5.3	0	0	108.5	E477 Y479	Q464-E477 PolarHBondContact NE2-OE2 3.21Å; Q464-Y479 HydrophobicContact CB-CD1 3.81Å; Q464-Y479 HydrophobicContact CB-CE1 3.68Å; Q464-Y479 HydrophobicContact CG-CD1 4.11Å; Q464-Y479 HydrophobicContact CG-CE1 3.77Å
465	V	90.7	Very high	82.2	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159	-174.9	-65.9	0	0	0	0	110.7	V467 R478 L480 V537	V465-V467 HydrophobicContact CG2-CG2 3.92Å; V465-R478 PolarHBondContact N-O 3.02Å; V465-R478 PolarHBondContact O-N 3.09Å; V465-R478 VanDerWaalsContact O-O 3.07Å; V465-L480 HydrophobicContact CG2-CB 4.32Å; V465-L480 HydrophobicContact CG2-CD1 3.63Å; V465-L480 HydrophobicContact CG2-CG 3.61Å; V465-V537 HydrophobicContact CB-CG1 3.69Å; V465-V537 HydrophobicContact CG1-CG1 3.94Å; V465-V537 HydrophobicContact CG2-CG1 3.72Å
466	L	90.2	Very high	82.7	Confident	62 Å²	62	60.4 Å²	60.4	33%	0.325	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115	168.3	-72.7	163	0	0	0	108.4	K475 E477 V538	L466-K475 HydrophobicContact CB-CB 4.49Å; L466-K475 HydrophobicContact CD2-CB 4.26Å; L466-E477 HydrophobicContact CD2-CB 4.4Å; L466-E477 HydrophobicContact CD2-CG 3.48Å; L466-E477 VanDerWaalsContact CD2-CG 3.48Å; L466-E477 HydrophobicContact CG-CG 4.41Å; L466-V538 HydrophobicContact CB-CB 4.16Å; L466-V538 PolarHBondContact N-O 2.99Å; L466-V538 PolarHBondContact O-N 2.89Å
467	V	90.3	Very high	83.3	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.1	176.3	-177	0	0	0	0	109.1	V465 N476 R478 M489 L535 Q536 V537	V465-V467 HydrophobicContact CG2-CG2 3.92Å; V467-N476 PolarHBondContact N-O 2.84Å; V467-N476 PolarHBondContact O-N 3.37Å; V467-R478 HydrophobicContact CB-CG 4.26Å; V467-R478 HydrophobicContact CG2-CB 3.92Å; V467-R478 HydrophobicContact CG2-CG 4.12Å; V467-M489 HydrophobicContact CG1-CE 4.05Å; V467-M489 HydrophobicContact CG2-CE 4.31Å; V467-L535 HydrophobicContact CG1-CD2 3.98Å; V467-Q536 WeakPolarHBondContact CA-O 2.95Å; V467-V537 HydrophobicContact CG2-CG2 4.49Å
468	Q	87.1	Confident	83.9	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.5	172.2	-173.9	172.3	-9.6	0	0	108.3	S472 K475 H521 Q536	Q468-S472 WeakPolarHBondContact CG-O 3.43Å; Q468-K475 HydrophobicContact CB-CG 4.31Å; Q468-K475 VanDerWaalsContact OE1-CE 3.29Å; Q468-H521 PolarHBondContact OE1-NE2 2.72Å; Q468-Q536 HydrophobicContact CB-CB 4.37Å; Q468-Q536 PolarHBondContact N-O 2.84Å; Q468-Q536 PolarHBondContact O-N 3.17Å
469	S	80.6	Confident	84.4	Confident	45 Å²	45	61.1 Å²	61.1	32%	0.315	31%	0.307	S	S	.	.			trans	-91.1	154.8	174.4	64.5	0	0	0	0	109.7	M471 S472	S469-M471 PolarHBondContact O-N 2.92Å; S469-S472 PolarHBondContact O-N 2.9Å; S469-S472 VanDerWaalsContact O-N 3.12Å; S469-S472 WeakPolarHBondContact OG-CB 3.46Å
470	P	70.9	Confident	84.7	Confident	84 Å²	84	60.6 Å²	60.6	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.6	-175.3	30	-27.6	0	0	0	111.8	D533 R534	P470-D533 HydrophobicContact CG-CB 3.95Å; P470-R534 WeakPolarHBondContact CD-O 3.43Å; P470-R534 WeakPolarHBondContact CG-O 3.21Å
471	M	65.8	Low	85	Confident	166 Å²	166	58.8 Å²	58.8	82%	0.818	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.8	174.2	-71.8	-67.4	-58.6	0	0	113.7	S469	S469-M471 PolarHBondContact O-N 2.92Å
472	S	68.7	Low	85.1	Confident	40 Å²	40	57.7 Å²	57.7	28%	0.28	29%	0.29	S	S	.	.			trans	-143.5	125.4	-174.8	-174.7	0	0	0	0	112.2	Q468 S469 E474	Q468-S472 WeakPolarHBondContact CG-O 3.43Å; S469-S472 PolarHBondContact O-N 2.9Å; S469-S472 VanDerWaalsContact O-N 3.12Å; S469-S472 WeakPolarHBondContact OG-CB 3.46Å; S472-E474 PolarHBondContact O-N 3.42Å; S472-E474 PolarHBondContact OG-N 2.76Å
473	E	71.6	Confident	85.1	Confident	184 Å²	184	57.7 Å²	57.7	86%	0.86	29%	0.29	S	S	*	.	S	Bend	trans	-72.9	-12.6	172	-61.3	-149	148.2	0	0	113.2	K475	E473-K475 PolarHBondContact O-N 3.31Å
474	E	81.3	Confident	85	Confident	145 Å²	145	58.4 Å²	58.4	68%	0.678	29%	0.294	S	S	*	.	S	Bend	trans	-77	111.4	179.1	-67.8	-168.1	158.2	0	0	112.4	S472 N476	S472-E474 PolarHBondContact O-N 3.42Å; S472-E474 PolarHBondContact OG-N 2.76Å; E474-N476 PolarHBondContact O-N 3.23Å; E474-N476 PolarHBondContact O-ND2 2.76Å
475	K	85.8	Confident	84.8	Confident	90 Å²	90	59.8 Å²	59.8	39%	0.391	30%	0.301	S	S	.	.			trans	-64.8	121	168.5	-67	175.5	-179.6	176	0	110	L466 Q468 E473 A520 H521	L466-K475 HydrophobicContact CB-CB 4.49Å; L466-K475 HydrophobicContact CD2-CB 4.26Å; Q468-K475 HydrophobicContact CB-CG 4.31Å; Q468-K475 VanDerWaalsContact OE1-CE 3.29Å; E473-K475 PolarHBondContact O-N 3.31Å; K475-A520 PolarHBondContact NZ-O 3.13Å; K475-H521 WeakPolarHBondContact CE-CD2 3.38Å; K475-H521 WeakPolarHBondContact CE-NE2 3.35Å; K475-H521 PolarHBondContact NZ-CD2 2.68Å
476	N	88.9	Confident	84.7	Confident	53 Å²	53	61 Å²	61	28%	0.283	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.1	-171.6	-98.5	-93.7	0	0	0	110.2	V467 E474 R478	V467-N476 PolarHBondContact N-O 2.84Å; V467-N476 PolarHBondContact O-N 3.37Å; E474-N476 PolarHBondContact O-N 3.23Å; E474-N476 PolarHBondContact O-ND2 2.76Å; N476-R478 PolarHBondContact O-N 2.94Å; N476-R478 VanDerWaalsContact OD1-CZ 3.3Å; N476-R478 PolarHBondContact OD1-NH1 3.23Å; N476-R478 PolarHBondContact OD1-NH2 3.43Å
477	E	90.6	Very high	84.7	Confident	120 Å²	120	58.1 Å²	58.1	56%	0.561	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	125.9	172.8	-71.8	-173	-161.1	0	0	110.5	Q464 L466	Q464-E477 PolarHBondContact NE2-OE2 3.21Å; L466-E477 HydrophobicContact CD2-CB 4.4Å; L466-E477 HydrophobicContact CD2-CG 3.48Å; L466-E477 VanDerWaalsContact CD2-CG 3.48Å; L466-E477 HydrophobicContact CG-CG 4.41Å
478	R	91.3	Very high	84.7	Confident	41 Å²	41	57.7 Å²	57.7	16%	0.155	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.5	-179.6	-63.7	-63.9	-178.5	-85.4	-1.1	110	V465 V467 N476 M489 L490 Q502	V465-R478 PolarHBondContact N-O 3.02Å; V465-R478 PolarHBondContact O-N 3.09Å; V465-R478 VanDerWaalsContact O-O 3.07Å; V467-R478 HydrophobicContact CB-CG 4.26Å; V467-R478 HydrophobicContact CG2-CB 3.92Å; V467-R478 HydrophobicContact CG2-CG 4.12Å; N476-R478 PolarHBondContact O-N 2.94Å; N476-R478 VanDerWaalsContact OD1-CZ 3.3Å; N476-R478 PolarHBondContact OD1-NH1 3.23Å; N476-R478 PolarHBondContact OD1-NH2 3.43Å; R478-M489 HydrophobicContact CB-CG 4.02Å; R478-M489 HydrophobicContact CB-SD 4.45Å; R478-M489 HydrophobicContact CG-CG 4.13Å; R478-M489 HydrophobicContact CG-SD 4.01Å; R478-L490 CarbonylContact C-O 3.59Å; R478-L490 VanDerWaalsContact CA-O 3.31Å; R478-L490 WeakPolarHBondContact CA-O 3.4Å; R478-L490 WeakPolarHBondContact CB-O 3.45Å; R478-L490 WeakPolarHBondContact CD-O 3.36Å; R478-Q502 VanDerWaalsContact NH2-OE1 3.09Å
479	Y	91.4	Very high	84.9	Confident	34 Å²	34	57.5 Å²	57.5	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	166.4	-60.5	-80.1	0	0	0	108.3	L436 Q464 L490 A492 F499	L436-Y479 HydrophobicContact CD2-CD1 3.94Å; L436-Y479 HydrophobicContact CD2-CE1 3.62Å; Q464-Y479 HydrophobicContact CB-CD1 3.81Å; Q464-Y479 HydrophobicContact CB-CE1 3.68Å; Q464-Y479 HydrophobicContact CG-CD1 4.11Å; Q464-Y479 HydrophobicContact CG-CE1 3.77Å; Y479-L490 PolarHBondContact N-O 3.29Å; Y479-L490 PolarHBondContact O-N 3.41Å; Y479-A492 HydrophobicContact CE2-CB 4.19Å; Y479-F499 HydrophobicContact CD2-CD1 4.02Å; Y479-F499 AromaticContact CD2-CE1 3.98Å; Y479-F499 HydrophobicContact CD2-CE1 3.98Å; Y479-F499 HydrophobicContact CE2-CD1 4.1Å; Y479-F499 AromaticContact CE2-CE1 3.75Å; Y479-F499 HydrophobicContact CE2-CE1 3.75Å
480	L	91.6	Very high	85.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.2	172	-71	-174.9	0	0	0	109.5	M462 S463 V465 L487 L488 M489 V537 W548	M462-L480 WeakPolarHBondContact CA-O 3.47Å; M462-L480 WeakPolarHBondContact CB-O 3.28Å; S463-L480 PolarHBondContact N-O 3.25Å; S463-L480 PolarHBondContact O-N 3.05Å; S463-L480 VanDerWaalsContact O-N 3.09Å; V465-L480 HydrophobicContact CG2-CB 4.32Å; V465-L480 HydrophobicContact CG2-CD1 3.63Å; V465-L480 HydrophobicContact CG2-CG 3.61Å; L480-L487 HydrophobicContact CB-CD1 4.18Å; L480-L487 HydrophobicContact CD2-CD1 4.49Å; L480-L487 HydrophobicContact CD2-CG 4.47Å; L480-L488 WeakPolarHBondContact CA-O 3.32Å; L480-M489 HydrophobicContact CD2-CB 3.87Å; L480-M489 HydrophobicContact CD2-CE 4.07Å; L480-M489 HydrophobicContact CD2-CG 3.84Å; L480-V537 HydrophobicContact CD1-CG1 4.03Å; L480-V537 HydrophobicContact CD1-CG2 4.28Å; L480-W548 HydrophobicContact CB-CH2 3.56Å; L480-W548 HydrophobicContact CB-CZ2 3.55Å; L480-W548 HydrophobicContact CD1-CZ2 4.44Å
481	M	91.4	Very high	86.3	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.3	176.3	-59.2	174.6	73.8	0	0	110.3	E437 I440 V459 M462 F483 L488 L490	E437-M481 HydrophobicContact CG-CE 4.25Å; I440-M481 HydrophobicContact CB-CE 4.33Å; I440-M481 HydrophobicContact CB-SD 4.21Å; I440-M481 HydrophobicContact CD1-SD 3.96Å; I440-M481 HydrophobicContact CG2-CE 4.05Å; I440-M481 HydrophobicContact CG2-SD 3.56Å; I440-M481 VanDerWaalsContact CG2-SD 3.56Å; V459-M481 HydrophobicContact CG1-CB 4.48Å; V459-M481 HydrophobicContact CG1-CE 4.35Å; V459-M481 HydrophobicContact CG2-CE 3.69Å; M462-M481 HydrophobicContact CB-CB 4.24Å; M462-M481 HydrophobicContact CB-CG 3.82Å; M462-M481 HydrophobicContact SD-CE 4.18Å; M462-M481 HydrophobicContact SD-CG 4.22Å; M481-F483 HydrophobicContact CB-CE2 3.9Å; M481-F483 HydrophobicContact CE-CZ 4.31Å; M481-L488 HydrophobicContact CB-CB 4.26Å; M481-L488 HydrophobicContact CB-CD2 4.5Å; M481-L488 PolarHBondContact N-O 3.45Å; M481-L488 PolarHBondContact O-N 3.46Å; M481-L488 HydrophobicContact SD-CD2 4.11Å; M481-L490 HydrophobicContact SD-CD1 3.96Å
482	L	89.9	Confident	87.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.8	-178.7	-177.1	59.8	0	0	0	110.9	I460 Y461 L487 L507 W548 H551 L552 Q555	I460-L482 HydrophobicContact CB-CD2 4.4Å; I460-L482 HydrophobicContact CB-CG 4.32Å; I460-L482 HydrophobicContact CD1-CG 4.32Å; I460-L482 HydrophobicContact CG2-CD2 4.23Å; I460-L482 PolarHBondContact N-O 3.41Å; Y461-L482 WeakPolarHBondContact O-CB 3.45Å; Y461-L482 PolarHBondContact O-N 3.31Å; L482-L487 HydrophobicContact CB-CD1 4.33Å; L482-L487 HydrophobicContact CD1-CB 4.48Å; L482-L487 HydrophobicContact CD1-CD1 4.36Å; L482-L507 HydrophobicContact CD1-CD1 3.75Å; L482-L507 HydrophobicContact CD1-CD2 3.76Å; L482-L507 HydrophobicContact CD1-CG 4.36Å; L482-W548 HydrophobicContact CB-CH2 4.27Å; L482-W548 HydrophobicContact CB-CZ3 3.93Å; L482-W548 HydrophobicContact CD2-CZ3 4.41Å; L482-H551 HydrophobicContact CD2-CB 3.82Å; L482-L552 HydrophobicContact CD1-CD2 3.69Å; L482-L552 HydrophobicContact CD2-CD2 3.99Å; L482-L552 HydrophobicContact CD2-CG 4.34Å; L482-L552 HydrophobicContact CG-CD2 4.43Å; L482-Q555 HydrophobicContact CD2-CG 4.27Å
483	F	90.2	Very high	88	Confident	1 Å²	1	45 Å²	45	0%	0.004	22%	0.223	C	C	.	.			trans	-101.8	165.9	168.5	-63.4	-93.1	0	0	0	110	I453 L456 G457 V459 M481 H485 V486 L488 L507	I453-F483 HydrophobicContact CD1-CZ 4.16Å; I453-F483 HydrophobicContact CG1-CZ 3.85Å; L456-F483 HydrophobicContact CB-CB 4.22Å; L456-F483 HydrophobicContact CB-CD1 3.48Å; L456-F483 VanDerWaalsContact CB-CD1 3.48Å; L456-F483 HydrophobicContact CB-CD2 4.29Å; L456-F483 HydrophobicContact CB-CE1 3.78Å; L456-F483 HydrophobicContact CB-CG 3.75Å; L456-F483 HydrophobicContact CB-CZ 4.32Å; L456-F483 HydrophobicContact CD1-CD2 4.22Å; L456-F483 HydrophobicContact CD1-CE2 4.12Å; L456-F483 HydrophobicContact CD1-CG 4.5Å; L456-F483 HydrophobicContact CD1-CZ 4.29Å; G457-F483 WeakPolarHBondContact O-CD1 3.27Å; G457-F483 WeakPolarHBondContact O-CE1 3.4Å; V459-F483 HydrophobicContact CG2-CD1 4.21Å; V459-F483 HydrophobicContact CG2-CE1 3.53Å; V459-F483 HydrophobicContact CG2-CE2 4.41Å; V459-F483 HydrophobicContact CG2-CZ 3.65Å; M481-F483 HydrophobicContact CB-CE2 3.9Å; M481-F483 HydrophobicContact CE-CZ 4.31Å; F483-H485 PolarHBondContact O-N 3.21Å; F483-V486 WeakPolarHBondContact CA-O 3.36Å; F483-V486 WeakPolarHBondContact CB-O 3.4Å; F483-V486 PolarHBondContact N-O 3.12Å; F483-V486 PolarHBondContact O-N 3.42Å; F483-L488 HydrophobicContact CD2-CB 4.17Å; F483-L488 HydrophobicContact CE2-CB 3.87Å; F483-L488 HydrophobicContact CE2-CD2 3.82Å; F483-L488 HydrophobicContact CZ-CD2 4.43Å; F483-L507 WeakPolarHBondContact O-CD1 3.4Å
484	P	86.8	Confident	88.2	Confident	32 Å²	32	42.4 Å²	42.4	21%	0.208	22%	0.222	C	C	.	.	S	Bend	trans	-58.7	-22.9	-173.5	-27.4	36.5	0	0	0	115.9	I460	I460-P484 HydrophobicContact CD1-CB 4.33Å; I460-P484 HydrophobicContact CD1-CG 4.02Å
485	H	85.6	Confident	88	Confident	117 Å²	117	46.1 Å²	46.1	54%	0.542	23%	0.23	S	C	.	.	S	Bend	trans	-128.3	-9.8	-177.8	-56.5	-40.1	0	0	0	114.1	F483 L507	F483-H485 PolarHBondContact O-N 3.21Å; H485-L507 PolarHBondContact O-N 2.8Å; H485-L507 VanDerWaalsContact O-N 3.09Å
486	V	89.5	Confident	87.2	Confident	30 Å²	30	48.4 Å²	48.4	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.9	-171.3	178	0	0	0	0	110.3	F483 K504 L505	F483-V486 WeakPolarHBondContact CA-O 3.36Å; F483-V486 WeakPolarHBondContact CB-O 3.4Å; F483-V486 PolarHBondContact N-O 3.12Å; F483-V486 PolarHBondContact O-N 3.42Å; V486-K504 HydrophobicContact CG1-CB 3.85Å; V486-L505 WeakPolarHBondContact CA-O 3.38Å
487	L	89.9	Confident	86.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.7	164.3	176.9	64.3	0	0	0	108.8	L480 L482 L505 L507 L527 W548 L552	L480-L487 HydrophobicContact CB-CD1 4.18Å; L480-L487 HydrophobicContact CD2-CD1 4.49Å; L480-L487 HydrophobicContact CD2-CG 4.47Å; L482-L487 HydrophobicContact CB-CD1 4.33Å; L482-L487 HydrophobicContact CD1-CB 4.48Å; L482-L487 HydrophobicContact CD1-CD1 4.36Å; L487-L505 HydrophobicContact CB-CB 4.27Å; L487-L505 HydrophobicContact CD2-CD1 4.25Å; L487-L505 PolarHBondContact N-O 2.94Å; L487-L505 PolarHBondContact O-N 3.48Å; L487-L507 HydrophobicContact CB-CD2 3.96Å; L487-L527 HydrophobicContact CD2-CD1 3.45Å; L487-L527 VanDerWaalsContact CD2-CD1 3.45Å; L487-W548 HydrophobicContact CD1-CH2 3.86Å; L487-W548 HydrophobicContact CD1-CZ3 3.79Å; L487-L552 HydrophobicContact CD2-CD2 4.39Å
488	L	90.3	Very high	85.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.6	-180	174	66.6	0	0	0	110.4	W448 I453 L480 M481 F483 L490 F501	W448-L488 HydrophobicContact CH2-CD1 4.06Å; W448-L488 HydrophobicContact CH2-CD2 4.06Å; W448-L488 HydrophobicContact CZ3-CD1 3.66Å; W448-L488 HydrophobicContact CZ3-CD2 3.84Å; W448-L488 HydrophobicContact CZ3-CG 4.43Å; I453-L488 HydrophobicContact CD1-CD2 3.67Å; I453-L488 HydrophobicContact CG1-CD2 4.42Å; L480-L488 WeakPolarHBondContact CA-O 3.32Å; M481-L488 HydrophobicContact CB-CB 4.26Å; M481-L488 HydrophobicContact CB-CD2 4.5Å; M481-L488 PolarHBondContact N-O 3.45Å; M481-L488 PolarHBondContact O-N 3.46Å; M481-L488 HydrophobicContact SD-CD2 4.11Å; F483-L488 HydrophobicContact CD2-CB 4.17Å; F483-L488 HydrophobicContact CE2-CB 3.87Å; F483-L488 HydrophobicContact CE2-CD2 3.82Å; F483-L488 HydrophobicContact CZ-CD2 4.43Å; L488-L490 HydrophobicContact CD1-CD2 4.04Å; L488-L490 HydrophobicContact CD2-CD1 4.23Å; L488-L490 HydrophobicContact CD2-CD2 4.16Å; L488-L490 HydrophobicContact CD2-CG 4.21Å; L488-L490 HydrophobicContact CG-CD2 4.07Å; L488-L490 HydrophobicContact CG-CG 4.13Å; L488-F501 HydrophobicContact CD1-CD2 3.71Å; L488-F501 HydrophobicContact CD1-CE2 3.48Å; L488-F501 VanDerWaalsContact CD1-CE2 3.48Å
489	M	90.8	Very high	85.7	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127	174.8	-171.2	-172.5	-62.5	0	0	111.1	V467 R478 L480 Q502 G503 L505 L535	V467-M489 HydrophobicContact CG1-CE 4.05Å; V467-M489 HydrophobicContact CG2-CE 4.31Å; R478-M489 HydrophobicContact CB-CG 4.02Å; R478-M489 HydrophobicContact CB-SD 4.45Å; R478-M489 HydrophobicContact CG-CG 4.13Å; R478-M489 HydrophobicContact CG-SD 4.01Å; L480-M489 HydrophobicContact CD2-CB 3.87Å; L480-M489 HydrophobicContact CD2-CE 4.07Å; L480-M489 HydrophobicContact CD2-CG 3.84Å; M489-Q502 HydrophobicContact CB-CB 4.41Å; M489-Q502 HydrophobicContact CG-CB 4.12Å; M489-Q502 WeakPolarHBondContact O-CB 3.48Å; M489-Q502 PolarHBondContact O-N 3.27Å; M489-Q502 HydrophobicContact SD-CB 4.26Å; M489-G503 PolarHBondContact N-O 3.48Å; M489-G503 PolarHBondContact O-N 3.42Å; M489-L505 HydrophobicContact CE-CD1 4.41Å; M489-L535 HydrophobicContact CE-CD1 3.9Å
490	L	90.8	Very high	85.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.8	178.3	-54	177.2	0	0	0	111	I440 I445 R478 Y479 M481 L488 F499 I500 F501	I440-L490 HydrophobicContact CD1-CD1 4.44Å; I440-L490 HydrophobicContact CG2-CD1 3.45Å; I440-L490 VanDerWaalsContact CG2-CD1 3.45Å; I445-L490 HydrophobicContact CD1-CD1 4.09Å; I445-L490 HydrophobicContact CD1-CD2 4.31Å; I445-L490 HydrophobicContact CG2-CD2 3.9Å; R478-L490 CarbonylContact C-O 3.59Å; R478-L490 VanDerWaalsContact CA-O 3.31Å; R478-L490 WeakPolarHBondContact CA-O 3.4Å; R478-L490 WeakPolarHBondContact CB-O 3.45Å; R478-L490 WeakPolarHBondContact CD-O 3.36Å; Y479-L490 PolarHBondContact N-O 3.29Å; Y479-L490 PolarHBondContact O-N 3.41Å; M481-L490 HydrophobicContact SD-CD1 3.96Å; L488-L490 HydrophobicContact CD1-CD2 4.04Å; L488-L490 HydrophobicContact CD2-CD1 4.23Å; L488-L490 HydrophobicContact CD2-CD2 4.16Å; L488-L490 HydrophobicContact CD2-CG 4.21Å; L488-L490 HydrophobicContact CG-CD2 4.07Å; L488-L490 HydrophobicContact CG-CG 4.13Å; L490-F499 HydrophobicContact CD1-CB 4.43Å; L490-I500 CarbonylContact C-O 3.54Å; L490-I500 VanDerWaalsContact CA-O 3.31Å; L490-I500 WeakPolarHBondContact CA-O 3.35Å; L490-F501 HydrophobicContact CD2-CB 4.42Å; L490-F501 HydrophobicContact CD2-CD2 4.22Å
491	S	90.3	Very high	85.5	Confident	12 Å²	12	42.3 Å²	42.3	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152	168.3	57.1	0	0	0	0	111.3	I500 Q502	S491-I500 PolarHBondContact N-O 2.96Å; S491-I500 PolarHBondContact O-N 3.02Å; S491-Q502 WeakPolarHBondContact OG-CG 3.24Å; S491-Q502 PolarHBondContact OG-NE2 3.19Å
492	A	87.7	Confident	85.3	Confident	50 Å²	50	46.4 Å²	46.4	41%	0.413	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.6	168.9	0	0	0	0	0	110	Y479 P494	Y479-A492 HydrophobicContact CE2-CB 4.19Å; A492-P494 WeakPolarHBondContact O-CD 3.15Å
493	S	81.4	Confident	85.1	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.063	26%	0.255	C	S	.	.			trans	-63.1	126.3	167.3	172.7	0	0	0	0	110.3	R495 M496 S497 G498	S493-R495 PolarHBondContact O-N 3.47Å; S493-R495 PolarHBondContact OG-N 3Å; S493-M496 PolarHBondContact O-N 2.97Å; S493-S497 PolarHBondContact OG-OG 3.4Å; S493-G498 WeakPolarHBondContact CB-O 3.34Å; S493-G498 PolarHBondContact N-O 3.44Å
494	P	76.4	Confident	85	Confident	130 Å²	130	52.6 Å²	52.6	84%	0.844	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.6	174.7	-25.2	35	0	0	0	114.3	A492	A492-P494 WeakPolarHBondContact O-CD 3.15Å
495	R	76.8	Confident	85	Confident	223 Å²	223	52 Å²	52	84%	0.842	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	14.9	174.8	-58.8	-175.3	-176.2	176.1	2.3	112.9	S493 S497	S493-R495 PolarHBondContact O-N 3.47Å; S493-R495 PolarHBondContact OG-N 3Å; R495-S497 PolarHBondContact O-N 2.91Å; R495-S497 VanDerWaalsContact O-N 3.15Å
496	M	69.9	Low	85.1	Confident	138 Å²	138	48.8 Å²	48.8	68%	0.68	26%	0.262	S	S	*	.	S	Bend	trans	53.4	32.5	-178.2	-63.4	-68.9	-80.8	0	0	113.6	S493	S493-M496 PolarHBondContact O-N 2.97Å
497	S	69.5	Low	84.9	Confident	42 Å²	42	47.3 Å²	47.3	29%	0.294	25%	0.254	S	S	.	.	S	Bend	trans	-113.8	38.5	-166.2	63.5	0	0	0	0	114	R446 S493 R495	R446-S497 PolarHBondContact NE-O 2.88Å; R446-S497 PolarHBondContact NH2-O 3.03Å; R446-S497 PolarHBondContact NH2-OG 3.47Å; S493-S497 PolarHBondContact OG-OG 3.4Å; R495-S497 PolarHBondContact O-N 2.91Å; R495-S497 VanDerWaalsContact O-N 3.15Å
498	G	81.4	Confident	84.6	Confident	18 Å²	18	51.6 Å²	51.6	19%	0.186	28%	0.28	C	S	.	.			trans	96.8	-173.6	-176.6	0	0	0	0	0	114	S493	S493-G498 WeakPolarHBondContact CB-O 3.34Å; S493-G498 PolarHBondContact N-O 3.44Å
499	F	88.3	Confident	84	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.057	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	152.2	-178.3	-56.8	-89.8	0	0	0	111.8	L436 Q439 I440 R446 Y479 L490	L436-F499 HydrophobicContact CD1-CE1 4.18Å; L436-F499 HydrophobicContact CD1-CZ 3.7Å; Q439-F499 HydrophobicContact CG-CE2 4.29Å; I440-F499 HydrophobicContact CD1-CD1 4.33Å; I440-F499 HydrophobicContact CD1-CE1 4.01Å; I440-F499 HydrophobicContact CD1-CZ 4.2Å; I440-F499 HydrophobicContact CG1-CD1 4.04Å; I440-F499 HydrophobicContact CG1-CD2 3.84Å; I440-F499 HydrophobicContact CG1-CE1 3.8Å; I440-F499 HydrophobicContact CG1-CE2 3.61Å; I440-F499 HydrophobicContact CG1-CG 4.06Å; I440-F499 HydrophobicContact CG1-CZ 3.59Å; R446-F499 PolarHBondContact N-O 2.86Å; Y479-F499 HydrophobicContact CD2-CD1 4.02Å; Y479-F499 AromaticContact CD2-CE1 3.98Å; Y479-F499 HydrophobicContact CD2-CE1 3.98Å; Y479-F499 HydrophobicContact CE2-CD1 4.1Å; Y479-F499 AromaticContact CE2-CE1 3.75Å; Y479-F499 HydrophobicContact CE2-CE1 3.75Å; L490-F499 HydrophobicContact CD1-CB 4.43Å
500	I	87.9	Confident	83.9	Confident	34 Å²	34	52.7 Å²	52.7	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.3	178.1	-53.3	174.6	0	0	0	108.4	R446 L447 L490 S491	R446-I500 HydrophobicContact CB-CG1 4.29Å; L447-I500 HydrophobicContact CD1-CG2 4.12Å; L490-I500 CarbonylContact C-O 3.54Å; L490-I500 VanDerWaalsContact CA-O 3.31Å; L490-I500 WeakPolarHBondContact CA-O 3.35Å; S491-I500 PolarHBondContact N-O 2.96Å; S491-I500 PolarHBondContact O-N 3.02Å
501	F	89.6	Confident	83.6	Confident	14 Å²	14	57.6 Å²	57.6	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.4	172.1	-178.3	-106	0	0	0	110.5	I445 R446 L447 W448 E449 L488 L490 K504	I445-F501 HydrophobicContact CG2-CB 4Å; R446-F501 WeakPolarHBondContact O-CB 3.41Å; R446-F501 PolarHBondContact O-N 3.35Å; L447-F501 WeakPolarHBondContact O-CB 3.37Å; L447-F501 VanDerWaalsContact O-CD1 3.22Å; L447-F501 WeakPolarHBondContact O-CD1 3.29Å; W448-F501 AromaticContact CE3-CD2 3.69Å; W448-F501 HydrophobicContact CE3-CD2 3.69Å; W448-F501 HydrophobicContact CE3-CE2 4.23Å; W448-F501 HydrophobicContact CE3-CG 4.39Å; W448-F501 AromaticContact CZ3-CD2 3.81Å; W448-F501 HydrophobicContact CZ3-CD2 3.81Å; W448-F501 HydrophobicContact CZ3-CE2 4.08Å; E449-F501 HydrophobicContact CB-CD1 4.33Å; E449-F501 HydrophobicContact CB-CE1 3.76Å; E449-F501 HydrophobicContact CB-CZ 4.23Å; E449-F501 HydrophobicContact CG-CD1 4.15Å; E449-F501 HydrophobicContact CG-CE1 3.9Å; L488-F501 HydrophobicContact CD1-CD2 3.71Å; L488-F501 HydrophobicContact CD1-CE2 3.48Å; L488-F501 VanDerWaalsContact CD1-CE2 3.48Å; L490-F501 HydrophobicContact CD2-CB 4.42Å; L490-F501 HydrophobicContact CD2-CD2 4.22Å; F501-K504 HydrophobicContact CE2-CB 4.37Å; F501-K504 HydrophobicContact CZ-CB 4.22Å; F501-K504 HydrophobicContact CZ-CD 4.31Å; F501-K504 HydrophobicContact CZ-CG 4.22Å
502	Q	87.3	Confident	83.6	Confident	87 Å²	87	58.1 Å²	58.1	41%	0.407	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-31.4	177	-65.4	-74.5	-85.7	0	0	112.1	R478 M489 S491	R478-Q502 VanDerWaalsContact NH2-OE1 3.09Å; M489-Q502 HydrophobicContact CB-CB 4.41Å; M489-Q502 HydrophobicContact CG-CB 4.12Å; M489-Q502 WeakPolarHBondContact O-CB 3.48Å; M489-Q502 PolarHBondContact O-N 3.27Å; M489-Q502 HydrophobicContact SD-CB 4.26Å; S491-Q502 WeakPolarHBondContact OG-CG 3.24Å; S491-Q502 PolarHBondContact OG-NE2 3.19Å
503	G	86.6	Confident	83.7	Confident	19 Å²	19	58.8 Å²	58.8	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	169.5	174.2	0	0	0	0	0	113.2	M489	M489-G503 PolarHBondContact N-O 3.48Å; M489-G503 PolarHBondContact O-N 3.42Å
504	K	88.3	Confident	84	Confident	111 Å²	111	63.6 Å²	63.6	48%	0.483	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.6	174.5	61.1	-168.8	173.9	-167.7	0	109.2	E449 V486 F501	E449-K504 PolarHBondContact O-NZ 3.39Å; V486-K504 HydrophobicContact CG1-CB 3.85Å; F501-K504 HydrophobicContact CE2-CB 4.37Å; F501-K504 HydrophobicContact CZ-CB 4.22Å; F501-K504 HydrophobicContact CZ-CD 4.31Å; F501-K504 HydrophobicContact CZ-CG 4.22Å
505	L	87.5	Confident	84.4	Confident	19 Å²	19	59.3 Å²	59.3	10%	0.099	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.1	-176.3	-53.6	175.9	0	0	0	108.3	V486 L487 M489 F532 L535	V486-L505 WeakPolarHBondContact CA-O 3.38Å; L487-L505 HydrophobicContact CB-CB 4.27Å; L487-L505 HydrophobicContact CD2-CD1 4.25Å; L487-L505 PolarHBondContact N-O 2.94Å; L487-L505 PolarHBondContact O-N 3.48Å; M489-L505 HydrophobicContact CE-CD1 4.41Å; L505-F532 HydrophobicContact CB-CD1 4.3Å; L505-F532 HydrophobicContact CB-CE1 4.06Å; L505-F532 HydrophobicContact CB-CZ 4.45Å; L505-F532 HydrophobicContact CD1-CD2 4.48Å; L505-F532 HydrophobicContact CD1-CE2 4.27Å; L505-F532 HydrophobicContact CD1-CZ 4.37Å; L505-F532 HydrophobicContact CD2-CB 3.98Å; L505-F532 HydrophobicContact CD2-CD1 3.88Å; L505-F532 HydrophobicContact CD2-CD2 4.07Å; L505-F532 HydrophobicContact CD2-CE1 4.36Å; L505-F532 HydrophobicContact CD2-CG 3.72Å; L505-L535 HydrophobicContact CD1-CD1 3.56Å; L505-L535 HydrophobicContact CD2-CD1 4.48Å
506	P	87.2	Confident	84.7	Confident	50 Å²	50	57 Å²	57	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.9	176.6	28.6	-33.4	0	0	0	110.2	T508 M531	P506-T508 VanDerWaalsContact C-N 3.27Å; P506-T508 PolarHBondContact O-N 3.23Å; P506-M531 HydrophobicContact CG-CB 4.44Å; P506-M531 HydrophobicContact CG-CG 4.46Å
507	L	85.4	Confident	85.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-74.5	-20.8	177	-59	-179.7	0	0	0	112.6	L482 F483 H485 L487 G509 M510 L552 Q555	L482-L507 HydrophobicContact CD1-CD1 3.75Å; L482-L507 HydrophobicContact CD1-CD2 3.76Å; L482-L507 HydrophobicContact CD1-CG 4.36Å; F483-L507 WeakPolarHBondContact O-CD1 3.4Å; H485-L507 PolarHBondContact O-N 2.8Å; H485-L507 VanDerWaalsContact O-N 3.09Å; L487-L507 HydrophobicContact CB-CD2 3.96Å; L507-G509 PolarHBondContact O-N 2.83Å; L507-M510 HydrophobicContact CD2-CE 3.35Å; L507-M510 HydrophobicContact CD2-SD 4.37Å; L507-M510 WeakPolarHBondContact O-CB 3.38Å; L507-M510 PolarHBondContact O-N 2.91Å; L507-M510 VanDerWaalsContact O-N 3.11Å; L507-L552 HydrophobicContact CD2-CD2 4.38Å; L507-Q555 HydrophobicContact CD1-CB 3.74Å
508	T	82.7	Confident	85.7	Confident	91 Å²	91	56.2 Å²	56.2	56%	0.558	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	117.4	178.3	-49	0	0	0	0	110.8	P506 M510 S559	P506-T508 VanDerWaalsContact C-N 3.27Å; P506-T508 PolarHBondContact O-N 3.23Å; T508-M510 VanDerWaalsContact C-N 3.27Å; T508-M510 PolarHBondContact O-N 2.96Å; T508-S559 PolarHBondContact OG1-OG 3.07Å
509	G	78.3	Confident	85	Confident	44 Å²	44	65.2 Å²	65.2	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	9.5	-178	0	0	0	0	0	114.6	L507	L507-G509 PolarHBondContact O-N 2.83Å
510	M	87.8	Confident	83.9	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.015	37%	0.369	C	S	.	.			trans	-79.2	142.5	171.2	-168.5	168.4	76.4	0	0	110.9	L507 T508 V512 L527 N528 F532 L552 I556	L507-M510 HydrophobicContact CD2-CE 3.35Å; L507-M510 HydrophobicContact CD2-SD 4.37Å; L507-M510 WeakPolarHBondContact O-CB 3.38Å; L507-M510 PolarHBondContact O-N 2.91Å; L507-M510 VanDerWaalsContact O-N 3.11Å; T508-M510 VanDerWaalsContact C-N 3.27Å; T508-M510 PolarHBondContact O-N 2.96Å; M510-V512 HydrophobicContact CE-CG2 4.49Å; M510-L527 HydrophobicContact CE-CD2 3.96Å; M510-L527 HydrophobicContact CG-CD2 4.44Å; M510-L527 HydrophobicContact SD-CB 4.41Å; M510-L527 HydrophobicContact SD-CD1 4.41Å; M510-L527 HydrophobicContact SD-CD2 3.89Å; M510-L527 HydrophobicContact SD-CG 4.48Å; M510-N528 CarbonylContact C-O 3.56Å; M510-N528 WeakPolarHBondContact CA-O 2.97Å; M510-F532 HydrophobicContact CG-CE1 4.35Å; M510-F532 HydrophobicContact CG-CZ 3.87Å; M510-F532 HydrophobicContact SD-CE1 4.21Å; M510-F532 HydrophobicContact SD-CZ 3.69Å; M510-L552 HydrophobicContact CE-CD2 3.72Å; M510-I556 HydrophobicContact CB-CD1 4.23Å; M510-I556 HydrophobicContact CB-CG1 4.38Å; M510-I556 HydrophobicContact CE-CD1 3.87Å; M510-I556 HydrophobicContact CE-CG1 4.29Å; M510-I556 HydrophobicContact CG-CD1 4.41Å; M510-I556 WeakPolarHBondContact O-CD1 3.33Å; M510-I556 WeakPolarHBondContact O-CG2 3.32Å
511	I	85.9	Confident	83.1	Confident	102 Å²	102	67.9 Å²	67.9	52%	0.523	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.1	175.3	-58.7	176.4	0	0	0	107.6	N528	I511-N528 PolarHBondContact N-O 3.23Å; I511-N528 PolarHBondContact O-N 2.9Å
512	V	89.7	Confident	82.7	Confident	24 Å²	24	73.9 Å²	73.9	15%	0.145	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	175.4	-171.5	0	0	0	0	109.2	M510 F525 E526 L527 V549 L552 I556	M510-V512 HydrophobicContact CE-CG2 4.49Å; V512-F525 HydrophobicContact CG1-CD2 3.9Å; V512-E526 WeakPolarHBondContact CA-O 3.29Å; V512-L527 HydrophobicContact CG1-CD2 4.39Å; V512-L527 HydrophobicContact CG2-CD2 3.79Å; V512-V549 HydrophobicContact CG1-CG2 4.06Å; V512-L552 HydrophobicContact CG1-CD1 4.4Å; V512-L552 HydrophobicContact CG2-CB 3.69Å; V512-L552 HydrophobicContact CG2-CD1 4.05Å; V512-L552 HydrophobicContact CG2-CG 4.47Å; V512-I556 HydrophobicContact CG2-CD1 3.57Å
513	T	89.4	Confident	82.7	Confident	63 Å²	63	71.2 Å²	71.2	39%	0.387	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	175.5	-52.4	0	0	0	0	108.5	L515 F525 E526	T513-L515 PolarHBondContact O-N 3.47Å; T513-F525 CarbonylContact O-C 3.58Å; T513-F525 WeakPolarHBondContact O-CA 3.42Å; T513-E526 PolarHBondContact N-O 3.42Å; T513-E526 PolarHBondContact O-N 3.2Å
514	K	88	Confident	82.8	Confident	111 Å²	111	70.4 Å²	70.4	48%	0.483	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.5	169.8	-172.7	-172.3	178.7	-168.3	0	108.1	L545	K514-L545 HydrophobicContact CG-CD1 4.46Å; K514-L545 HydrophobicContact CG-CD2 4.32Å
515	L	85.4	Confident	83	Confident	39 Å²	39	65.1 Å²	65.1	20%	0.204	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-93.5	152.9	173.9	-60.5	175.7	0	0	0	109.9	T513 A524 E526 Q536	T513-L515 PolarHBondContact O-N 3.47Å; L515-A524 HydrophobicContact CB-CB 4.21Å; L515-A524 HydrophobicContact CD1-CB 4.12Å; L515-A524 PolarHBondContact N-O 3.04Å; L515-E526 HydrophobicContact CD1-CB 4.28Å; L515-E526 HydrophobicContact CD2-CB 4.31Å; L515-E526 HydrophobicContact CG-CB 4.26Å; L515-Q536 HydrophobicContact CD1-CG 3.87Å
516	E	81.8	Confident	83.1	Confident	175 Å²	175	65 Å²	65	82%	0.818	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-81.1	151	172.7	-65.4	-175.8	169.6	0	0	110.5	C518	E516-C518 PolarHBondContact O-N 3Å
517	D	84.8	Confident	83.2	Confident	87 Å²	87	62.7 Å²	62.7	47%	0.465	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.4	120.8	-178.8	-80.7	-6.2	0	0	0	110.7	K522 N523	D517-K522 HydrophobicContact CB-CG 4.34Å; D517-K522 VanDerWaalsContact OD1-CA 3.29Å; D517-K522 WeakPolarHBondContact OD1-CA 3.5Å; D517-N523 PolarHBondContact OD1-N 3.38Å
518	C	75.6	Confident	83.3	Confident	77 Å²	77	66.1 Å²	66.1	52%	0.52	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-121.2	167.5	179.5	-70	0	0	0	0	110.4	E516 A520 H521	E516-C518 PolarHBondContact O-N 3Å; C518-A520 PolarHBondContact O-N 3.32Å; C518-A520 VanDerWaalsContact O-N 3.17Å; C518-H521 PolarHBondContact N-O 2.88Å; C518-H521 CarbonylContact O-C 3.58Å; C518-H521 PolarHBondContact O-N 3.21Å; C518-H521 VanDerWaalsContact O-N 3.14Å
519	E	66.7	Low	83.2	Confident	207 Å²	207	62.4 Å²	62.4	97%	0.967	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.5	176.5	-64.3	-168.3	158.5	0	0	113.1
520	A	65.7	Low	83	Confident	57 Å²	57	65.7 Å²	65.7	47%	0.471	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.8	179.8	0	0	0	0	0	114.2	K475 C518	K475-A520 PolarHBondContact NZ-O 3.13Å; C518-A520 PolarHBondContact O-N 3.32Å; C518-A520 VanDerWaalsContact O-N 3.17Å
521	H	72	Confident	82.2	Confident	46 Å²	46	72.7 Å²	72.7	21%	0.213	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-154.3	123.1	-171.5	-53.2	93.7	0	0	0	110.9	Q468 K475 C518 A524 Q536	Q468-H521 PolarHBondContact OE1-NE2 2.72Å; K475-H521 WeakPolarHBondContact CE-CD2 3.38Å; K475-H521 WeakPolarHBondContact CE-NE2 3.35Å; K475-H521 PolarHBondContact NZ-CD2 2.68Å; C518-H521 PolarHBondContact N-O 2.88Å; C518-H521 CarbonylContact O-C 3.58Å; C518-H521 PolarHBondContact O-N 3.21Å; C518-H521 VanDerWaalsContact O-N 3.14Å; H521-A524 HydrophobicContact CB-CB 4.11Å; H521-Q536 PolarHBondContact CD2-NE2 3.45Å; H521-Q536 PolarHBondContact ND1-NE2 2.97Å; H521-Q536 PolarHBondContact NE2-OE1 3.42Å
522	K	80.8	Confident	81.8	Confident	140 Å²	140	69.4 Å²	69.4	61%	0.609	36%	0.363	S	S	*	.	S	Bend	trans	-116	148.3	169.2	-61.4	-172.4	179.1	-173.8	0	109.6	D517 V538	D517-K522 HydrophobicContact CB-CG 4.34Å; D517-K522 VanDerWaalsContact OD1-CA 3.29Å; D517-K522 WeakPolarHBondContact OD1-CA 3.5Å; K522-V538 VanDerWaalsContact O-CG1 3.27Å; K522-V538 WeakPolarHBondContact O-CG1 3.39Å
523	N	86.6	Confident	81.1	Confident	31 Å²	31	73.7 Å²	73.7	17%	0.166	39%	0.386	C	S	.	.	S	Bend	trans	56.8	45.1	-175.1	-49.4	-60.9	0	0	0	113.4	D517 C539 Q542 L545	D517-N523 PolarHBondContact OD1-N 3.38Å; N523-C539 HydrophobicContact CB-CB 4.21Å; N523-C539 WeakPolarHBondContact O-CB 3.41Å; N523-C539 PolarHBondContact O-N 3.15Å; N523-Q542 WeakPolarHBondContact OD1-CA 3.5Å; N523-Q542 VanDerWaalsContact OD1-CB 3.24Å; N523-Q542 WeakPolarHBondContact OD1-CB 3.4Å; N523-Q542 PolarHBondContact OD1-N 2.99Å; N523-L545 HydrophobicContact CB-CB 4.41Å; N523-L545 HydrophobicContact CB-CD2 4.26Å
524	A	89.4	Confident	80.9	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.008	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.6	-178.8	0	0	0	0	0	114.3	L515 H521 V537 V538	L515-A524 HydrophobicContact CB-CB 4.21Å; L515-A524 HydrophobicContact CD1-CB 4.12Å; L515-A524 PolarHBondContact N-O 3.04Å; H521-A524 HydrophobicContact CB-CB 4.11Å; A524-V537 CarbonylContact C-O 3.39Å; A524-V537 VanDerWaalsContact CA-O 3.28Å; A524-V537 WeakPolarHBondContact CA-O 3.41Å; A524-V538 HydrophobicContact CB-CG2 4.34Å
525	F	91.7	Very high	80.9	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	170.9	163.9	68.6	-86.2	0	0	0	110.7	V512 T513 L527 V537 L545 W548 V549 L552	V512-F525 HydrophobicContact CG1-CD2 3.9Å; T513-F525 CarbonylContact O-C 3.58Å; T513-F525 WeakPolarHBondContact O-CA 3.42Å; F525-L527 HydrophobicContact CD2-CD2 4.03Å; F525-L527 HydrophobicContact CD2-CG 4.12Å; F525-L527 HydrophobicContact CE2-CD1 4.1Å; F525-L527 HydrophobicContact CE2-CD2 3.66Å; F525-L527 HydrophobicContact CE2-CG 3.69Å; F525-V537 HydrophobicContact CD1-CB 4.07Å; F525-V537 HydrophobicContact CD1-CG1 4.29Å; F525-V537 HydrophobicContact CD2-CB 4.25Å; F525-V537 HydrophobicContact CE1-CB 3.73Å; F525-V537 HydrophobicContact CE1-CG1 3.56Å; F525-V537 HydrophobicContact CE2-CB 3.91Å; F525-V537 HydrophobicContact CE2-CG1 4.35Å; F525-V537 HydrophobicContact CE2-CG2 3.98Å; F525-V537 HydrophobicContact CG-CB 4.34Å; F525-V537 HydrophobicContact CZ-CB 3.66Å; F525-V537 HydrophobicContact CZ-CG1 3.6Å; F525-V537 HydrophobicContact CZ-CG2 4.04Å; F525-V537 PolarHBondContact N-O 3.26Å; F525-V537 PolarHBondContact O-N 3Å; F525-V537 VanDerWaalsContact O-O 3.11Å; F525-L545 HydrophobicContact CB-CD1 3.67Å; F525-L545 HydrophobicContact CD1-CD1 3.61Å; F525-L545 HydrophobicContact CG-CD1 4.07Å; F525-W548 HydrophobicContact CD1-CB 4.49Å; F525-W548 HydrophobicContact CE1-CB 3.79Å; F525-W548 AromaticContact CE1-CG 3.87Å; F525-W548 HydrophobicContact CE1-CG 3.87Å; F525-W548 HydrophobicContact CZ-CB 4Å; F525-W548 HydrophobicContact CZ-CD2 4.18Å; F525-W548 HydrophobicContact CZ-CE3 4.49Å; F525-W548 AromaticContact CZ-CG 3.96Å; F525-W548 HydrophobicContact CZ-CG 3.96Å; F525-V549 HydrophobicContact CB-CG2 4.16Å; F525-V549 HydrophobicContact CG-CG2 4.47Å; F525-L552 HydrophobicContact CE2-CD1 3.72Å; F525-L552 HydrophobicContact CZ-CD1 4.08Å
526	E	89.8	Confident	81.1	Confident	18 Å²	18	72.8 Å²	72.8	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.8	-177.4	-178.5	163.9	-67	0	0	110.7	V512 T513 L515 R534 L535	V512-E526 WeakPolarHBondContact CA-O 3.29Å; T513-E526 PolarHBondContact N-O 3.42Å; T513-E526 PolarHBondContact O-N 3.2Å; L515-E526 HydrophobicContact CD1-CB 4.28Å; L515-E526 HydrophobicContact CD2-CB 4.31Å; L515-E526 HydrophobicContact CG-CB 4.26Å; E526-R534 HydrophobicContact CG-CG 3.87Å; E526-R534 IonicContact OE1-CZ 2.78Å; E526-R534 IonicContact OE1-NE 2.64Å; E526-R534 PolarHBondContact OE1-NE 3.14Å; E526-R534 IonicContact OE1-NH2 3.78Å; E526-R534 PolarHBondContact OE1-NH2 2.71Å; E526-R534 IonicContact OE2-CZ 3.16Å; E526-R534 VanDerWaalsContact OE2-CZ 3.28Å; E526-R534 IonicContact OE2-NE 2.91Å; E526-R534 PolarHBondContact OE2-NE 2.96Å; E526-R534 IonicContact OE2-NH2 2.65Å; E526-R534 PolarHBondContact OE2-NH2 3.35Å; E526-L535 WeakPolarHBondContact CA-O 3.38Å
527	L	90.1	Very high	81.5	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.2	171.7	-62.9	179.1	0	0	0	108.6	L487 M510 V512 F525 F532 L535 V537 L552	L487-L527 HydrophobicContact CD2-CD1 3.45Å; L487-L527 VanDerWaalsContact CD2-CD1 3.45Å; M510-L527 HydrophobicContact CE-CD2 3.96Å; M510-L527 HydrophobicContact CG-CD2 4.44Å; M510-L527 HydrophobicContact SD-CB 4.41Å; M510-L527 HydrophobicContact SD-CD1 4.41Å; M510-L527 HydrophobicContact SD-CD2 3.89Å; M510-L527 HydrophobicContact SD-CG 4.48Å; V512-L527 HydrophobicContact CG1-CD2 4.39Å; V512-L527 HydrophobicContact CG2-CD2 3.79Å; F525-L527 HydrophobicContact CD2-CD2 4.03Å; F525-L527 HydrophobicContact CD2-CG 4.12Å; F525-L527 HydrophobicContact CE2-CD1 4.1Å; F525-L527 HydrophobicContact CE2-CD2 3.66Å; F525-L527 HydrophobicContact CE2-CG 3.69Å; L527-F532 HydrophobicContact CB-CE2 4.09Å; L527-F532 HydrophobicContact CB-CZ 4.35Å; L527-L535 HydrophobicContact CB-CB 4.3Å; L527-L535 PolarHBondContact N-O 3.36Å; L527-L535 PolarHBondContact O-N 3.23Å; L527-V537 HydrophobicContact CD1-CG2 4.11Å; L527-V537 HydrophobicContact CG-CG2 4.34Å; L527-L552 HydrophobicContact CD2-CD1 3.99Å
528	N	86.7	Confident	81.7	Confident	72 Å²	72	61.2 Å²	61.2	39%	0.385	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.5	171.1	-171.5	19.7	0	0	0	108.8	M510 I511	M510-N528 CarbonylContact C-O 3.56Å; M510-N528 WeakPolarHBondContact CA-O 2.97Å; I511-N528 PolarHBondContact N-O 3.23Å; I511-N528 PolarHBondContact O-N 2.9Å
529	G	81.3	Confident	82.4	Confident	12 Å²	12	57.9 Å²	57.9	12%	0.124	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.1	-179.3	0	0	0	0	0	112	M531	G529-M531 PolarHBondContact O-N 1.88Å
530	T	73.8	Confident	83.3	Confident	113 Å²	113	51.9 Å²	51.9	69%	0.693	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-15.1	178.3	54.1	0	0	0	0	113.8
531	M	71.3	Confident	84.2	Confident	151 Å²	151	53 Å²	53	74%	0.744	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	0.6	-172.7	-57.2	-60.9	-65.7	0	0	113.7	P506 G529	P506-M531 HydrophobicContact CG-CB 4.44Å; P506-M531 HydrophobicContact CG-CG 4.46Å; G529-M531 PolarHBondContact O-N 1.88Å
532	F	77.6	Confident	84.9	Confident	32 Å²	32	53.8 Å²	53.8	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	148.8	-177.5	66.2	-92.8	0	0	0	111.3	L505 M510 L527 L535	L505-F532 HydrophobicContact CB-CD1 4.3Å; L505-F532 HydrophobicContact CB-CE1 4.06Å; L505-F532 HydrophobicContact CB-CZ 4.45Å; L505-F532 HydrophobicContact CD1-CD2 4.48Å; L505-F532 HydrophobicContact CD1-CE2 4.27Å; L505-F532 HydrophobicContact CD1-CZ 4.37Å; L505-F532 HydrophobicContact CD2-CB 3.98Å; L505-F532 HydrophobicContact CD2-CD1 3.88Å; L505-F532 HydrophobicContact CD2-CD2 4.07Å; L505-F532 HydrophobicContact CD2-CE1 4.36Å; L505-F532 HydrophobicContact CD2-CG 3.72Å; M510-F532 HydrophobicContact CG-CE1 4.35Å; M510-F532 HydrophobicContact CG-CZ 3.87Å; M510-F532 HydrophobicContact SD-CE1 4.21Å; M510-F532 HydrophobicContact SD-CZ 3.69Å; L527-F532 HydrophobicContact CB-CE2 4.09Å; L527-F532 HydrophobicContact CB-CZ 4.35Å; F532-L535 HydrophobicContact CD2-CD1 3.98Å; F532-L535 HydrophobicContact CD2-CG 4.3Å; F532-L535 HydrophobicContact CE2-CD1 4.09Å; F532-L535 HydrophobicContact CE2-CG 4.48Å
533	D	75.8	Confident	85	Confident	114 Å²	114	52.2 Å²	52.2	61%	0.61	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.4	-178.9	-63.4	-48.8	0	0	0	112.8	P470 L535	P470-D533 HydrophobicContact CG-CB 3.95Å; D533-L535 WeakPolarHBondContact O-CG 3.5Å; D533-L535 PolarHBondContact O-N 3.25Å
534	R	83.9	Confident	85.1	Confident	139 Å²	139	51.1 Å²	51.1	53%	0.525	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.1	105.2	175.2	177.7	-173.3	174.4	157.7	14	112.5	P470 E526	P470-R534 WeakPolarHBondContact CD-O 3.43Å; P470-R534 WeakPolarHBondContact CG-O 3.21Å; E526-R534 HydrophobicContact CG-CG 3.87Å; E526-R534 IonicContact OE1-CZ 2.78Å; E526-R534 IonicContact OE1-NE 2.64Å; E526-R534 PolarHBondContact OE1-NE 3.14Å; E526-R534 IonicContact OE1-NH2 3.78Å; E526-R534 PolarHBondContact OE1-NH2 2.71Å; E526-R534 IonicContact OE2-CZ 3.16Å; E526-R534 VanDerWaalsContact OE2-CZ 3.28Å; E526-R534 IonicContact OE2-NE 2.91Å; E526-R534 PolarHBondContact OE2-NE 2.96Å; E526-R534 IonicContact OE2-NH2 2.65Å; E526-R534 PolarHBondContact OE2-NH2 3.35Å
535	L	88.2	Confident	85	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124	177.1	-70.5	170.4	0	0	0	110.6	V467 M489 L505 E526 L527 F532 D533	V467-L535 HydrophobicContact CG1-CD2 3.98Å; M489-L535 HydrophobicContact CE-CD1 3.9Å; L505-L535 HydrophobicContact CD1-CD1 3.56Å; L505-L535 HydrophobicContact CD2-CD1 4.48Å; E526-L535 WeakPolarHBondContact CA-O 3.38Å; L527-L535 HydrophobicContact CB-CB 4.3Å; L527-L535 PolarHBondContact N-O 3.36Å; L527-L535 PolarHBondContact O-N 3.23Å; F532-L535 HydrophobicContact CD2-CD1 3.98Å; F532-L535 HydrophobicContact CD2-CG 4.3Å; F532-L535 HydrophobicContact CE2-CD1 4.09Å; F532-L535 HydrophobicContact CE2-CG 4.48Å; D533-L535 WeakPolarHBondContact O-CG 3.5Å; D533-L535 PolarHBondContact O-N 3.25Å
536	Q	89.3	Confident	84.8	Confident	34 Å²	34	55.9 Å²	55.9	16%	0.159	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.5	170.4	-172.6	179.6	3.2	0	0	109.4	V467 Q468 L515 H521	V467-Q536 WeakPolarHBondContact CA-O 2.95Å; Q468-Q536 HydrophobicContact CB-CB 4.37Å; Q468-Q536 PolarHBondContact N-O 2.84Å; Q468-Q536 PolarHBondContact O-N 3.17Å; L515-Q536 HydrophobicContact CD1-CG 3.87Å; H521-Q536 PolarHBondContact CD2-NE2 3.45Å; H521-Q536 PolarHBondContact ND1-NE2 2.97Å; H521-Q536 PolarHBondContact NE2-OE1 3.42Å
537	V	90.4	Very high	84.8	Confident	1 Å²	1	57 Å²	57	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	-178.3	-174	0	0	0	0	109.1	V465 V467 L480 A524 F525 L527	V465-V537 HydrophobicContact CB-CG1 3.69Å; V465-V537 HydrophobicContact CG1-CG1 3.94Å; V465-V537 HydrophobicContact CG2-CG1 3.72Å; V467-V537 HydrophobicContact CG2-CG2 4.49Å; L480-V537 HydrophobicContact CD1-CG1 4.03Å; L480-V537 HydrophobicContact CD1-CG2 4.28Å; A524-V537 CarbonylContact C-O 3.39Å; A524-V537 VanDerWaalsContact CA-O 3.28Å; A524-V537 WeakPolarHBondContact CA-O 3.41Å; F525-V537 HydrophobicContact CD1-CB 4.07Å; F525-V537 HydrophobicContact CD1-CG1 4.29Å; F525-V537 HydrophobicContact CD2-CB 4.25Å; F525-V537 HydrophobicContact CE1-CB 3.73Å; F525-V537 HydrophobicContact CE1-CG1 3.56Å; F525-V537 HydrophobicContact CE2-CB 3.91Å; F525-V537 HydrophobicContact CE2-CG1 4.35Å; F525-V537 HydrophobicContact CE2-CG2 3.98Å; F525-V537 HydrophobicContact CG-CB 4.34Å; F525-V537 HydrophobicContact CZ-CB 3.66Å; F525-V537 HydrophobicContact CZ-CG1 3.6Å; F525-V537 HydrophobicContact CZ-CG2 4.04Å; F525-V537 PolarHBondContact N-O 3.26Å; F525-V537 PolarHBondContact O-N 3Å; F525-V537 VanDerWaalsContact O-O 3.11Å; L527-V537 HydrophobicContact CD1-CG2 4.11Å; L527-V537 HydrophobicContact CG-CG2 4.34Å
538	V	89.9	Confident	84.9	Confident	17 Å²	17	57 Å²	57	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.1	177.9	-169.4	0	0	0	0	108.9	L466 K522 A524	L466-V538 HydrophobicContact CB-CB 4.16Å; L466-V538 PolarHBondContact N-O 2.99Å; L466-V538 PolarHBondContact O-N 2.89Å; K522-V538 VanDerWaalsContact O-CG1 3.27Å; K522-V538 WeakPolarHBondContact O-CG1 3.39Å; A524-V538 HydrophobicContact CB-CG2 4.34Å
539	C	88.8	Confident	85	Confident	7 Å²	7	55.1 Å²	55.1	5%	0.047	29%	0.29	C	S	.	.			trans	-82.3	155.9	179.1	-74.4	0	0	0	0	112.1	N523 N541 D544 L545	N523-C539 HydrophobicContact CB-CB 4.21Å; N523-C539 WeakPolarHBondContact O-CB 3.41Å; N523-C539 PolarHBondContact O-N 3.15Å; C539-N541 VanDerWaalsContact C-N 3.31Å; C539-N541 PolarHBondContact O-N 3.27Å; C539-D544 HydrophobicContact CB-CB 4.23Å; C539-D544 WeakPolarHBondContact CB-OD2 3.36Å; C539-D544 PolarHBondContact SG-OD2 3.29Å; C539-L545 HydrophobicContact CB-CB 4.05Å
540	A	85.4	Confident	85.5	Confident	82 Å²	82	60 Å²	60	68%	0.678	31%	0.31	S	S	*	.	S	Bend	trans	-68.8	-29.3	177.3	0	0	0	0	0	112.8
541	N	85.6	Confident	86.3	Confident	79 Å²	79	56.2 Å²	56.2	42%	0.422	28%	0.284	S	S	.	.	S	Bend	trans	-151.8	167.6	-179.9	65.1	60.8	0	0	0	112.2	C539 Q543 D544 L545	C539-N541 VanDerWaalsContact C-N 3.31Å; C539-N541 PolarHBondContact O-N 3.27Å; N541-Q543 VanDerWaalsContact C-N 3.28Å; N541-Q543 PolarHBondContact O-N 2.87Å; N541-Q543 WeakPolarHBondContact OD1-CA 3.45Å; N541-Q543 WeakPolarHBondContact OD1-CB 3.36Å; N541-Q543 PolarHBondContact OD1-N 3.34Å; N541-D544 PolarHBondContact O-N 2.91Å; N541-D544 WeakPolarHBondContact OD1-CB 3.45Å; N541-D544 PolarHBondContact OD1-N 3.02Å; N541-L545 PolarHBondContact O-N 2.99Å
542	Q	85.8	Confident	87.1	Confident	64 Å²	64	49 Å²	49	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-67.9	-24.2	-177.9	-178.2	53.9	101.3	0	0	113	N523 Q546	N523-Q542 WeakPolarHBondContact OD1-CA 3.5Å; N523-Q542 VanDerWaalsContact OD1-CB 3.24Å; N523-Q542 WeakPolarHBondContact OD1-CB 3.4Å; N523-Q542 PolarHBondContact OD1-N 2.99Å; Q542-Q546 WeakPolarHBondContact O-CG 3.22Å; Q542-Q546 PolarHBondContact O-N 2.86Å
543	Q	84.4	Confident	87.6	Confident	107 Å²	107	49.6 Å²	49.6	50%	0.5	26%	0.255	S	S	.	.	H	α-helix	trans	-73.5	-47.8	176.9	-171.9	64	55.7	0	0	110.8	N541 L545 Q546 D547	N541-Q543 VanDerWaalsContact C-N 3.28Å; N541-Q543 PolarHBondContact O-N 2.87Å; N541-Q543 WeakPolarHBondContact OD1-CA 3.45Å; N541-Q543 WeakPolarHBondContact OD1-CB 3.36Å; N541-Q543 PolarHBondContact OD1-N 3.34Å; Q543-L545 VanDerWaalsContact C-N 3.25Å; Q543-L545 PolarHBondContact O-N 2.87Å; Q543-Q546 WeakPolarHBondContact O-CA 3.21Å; Q543-Q546 WeakPolarHBondContact O-CB 3.31Å; Q543-Q546 PolarHBondContact O-N 2.85Å; Q543-D547 PolarHBondContact NE2-OD1 3.4Å; Q543-D547 VanDerWaalsContact O-CG 3.24Å; Q543-D547 PolarHBondContact O-N 3.32Å
544	D	87	Confident	88.2	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-39.7	174.5	178.6	60.4	0	0	0	111.1	Y461 S463 C539 N541 W548	Y461-D544 WeakPolarHBondContact CE1-OD1 3.08Å; Y461-D544 PolarHBondContact OH-OD1 3.23Å; S463-D544 WeakPolarHBondContact CB-OD1 3.18Å; S463-D544 PolarHBondContact OG-OD1 3.04Å; S463-D544 PolarHBondContact OG-OD2 2.75Å; C539-D544 HydrophobicContact CB-CB 4.23Å; C539-D544 WeakPolarHBondContact CB-OD2 3.36Å; C539-D544 PolarHBondContact SG-OD2 3.29Å; N541-D544 PolarHBondContact O-N 2.91Å; N541-D544 WeakPolarHBondContact OD1-CB 3.45Å; N541-D544 PolarHBondContact OD1-N 3.02Å; D544-W548 VanDerWaalsContact O-CB 3.29Å; D544-W548 WeakPolarHBondContact O-CB 3.35Å; D544-W548 PolarHBondContact O-N 3.38Å; D544-W548 PolarHBondContact OD1-NE1 2.9Å
545	L	88.4	Confident	88.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-43.4	171.2	171.2	60.6	0	0	0	113	K514 N523 F525 C539 N541 Q543 V549	K514-L545 HydrophobicContact CG-CD1 4.46Å; K514-L545 HydrophobicContact CG-CD2 4.32Å; N523-L545 HydrophobicContact CB-CB 4.41Å; N523-L545 HydrophobicContact CB-CD2 4.26Å; F525-L545 HydrophobicContact CB-CD1 3.67Å; F525-L545 HydrophobicContact CD1-CD1 3.61Å; F525-L545 HydrophobicContact CG-CD1 4.07Å; C539-L545 HydrophobicContact CB-CB 4.05Å; N541-L545 PolarHBondContact O-N 2.99Å; Q543-L545 VanDerWaalsContact C-N 3.25Å; Q543-L545 PolarHBondContact O-N 2.87Å; L545-V549 HydrophobicContact CD1-CG2 3.93Å; L545-V549 WeakPolarHBondContact O-CB 3.31Å; L545-V549 VanDerWaalsContact O-CG2 3.27Å; L545-V549 WeakPolarHBondContact O-CG2 3.43Å; L545-V549 PolarHBondContact O-N 2.91Å; L545-V549 VanDerWaalsContact O-N 3.08Å
546	Q	88.3	Confident	88.2	Confident	99 Å²	99	43.6 Å²	43.6	46%	0.463	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-47	178.3	-73	176.4	23.5	0	0	111	Q542 Q543 W548 V549 E550	Q542-Q546 WeakPolarHBondContact O-CG 3.22Å; Q542-Q546 PolarHBondContact O-N 2.86Å; Q543-Q546 WeakPolarHBondContact O-CA 3.21Å; Q543-Q546 WeakPolarHBondContact O-CB 3.31Å; Q543-Q546 PolarHBondContact O-N 2.85Å; Q546-W548 PolarHBondContact O-N 2.86Å; Q546-V549 PolarHBondContact O-N 3.27Å; Q546-E550 WeakPolarHBondContact O-CB 3.32Å; Q546-E550 PolarHBondContact O-N 3.23Å
547	D	88.8	Confident	87.7	Confident	42 Å²	42	48.9 Å²	48.9	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-47.4	178.7	-62.4	-8.9	0	0	0	110.4	Y461 Q543 E550 H551	Y461-D547 HydrophobicContact CE1-CB 4.48Å; Y461-D547 HydrophobicContact CE2-CB 3.98Å; Y461-D547 PolarHBondContact OH-OD2 2.91Å; Q543-D547 PolarHBondContact NE2-OD1 3.4Å; Q543-D547 VanDerWaalsContact O-CG 3.24Å; Q543-D547 PolarHBondContact O-N 3.32Å; D547-E550 PolarHBondContact O-N 3Å; D547-H551 VanDerWaalsContact O-CB 3.26Å; D547-H551 WeakPolarHBondContact O-CB 3.45Å; D547-H551 PolarHBondContact O-CD2 3.17Å; D547-H551 PolarHBondContact O-N 3.39Å
548	W	91.6	Very high	86.9	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-53.2	174.6	-92.4	115.5	0	0	0	112.3	Y461 S463 L480 L482 L487 F525 D544 Q546 E550 H551 L552	Y461-W548 AromaticContact CD1-CD2 3.82Å; Y461-W548 HydrophobicContact CD1-CD2 3.82Å; Y461-W548 AromaticContact CD1-CE2 3.62Å; Y461-W548 HydrophobicContact CD1-CE3 4.21Å; Y461-W548 HydrophobicContact CD1-CG 4.25Å; Y461-W548 HydrophobicContact CD1-CH2 4.24Å; Y461-W548 AromaticContact CD1-CZ2 3.83Å; Y461-W548 HydrophobicContact CD1-CZ2 3.83Å; Y461-W548 HydrophobicContact CD1-CZ3 4.43Å; Y461-W548 AromaticContact CD1-NE1 3.95Å; Y461-W548 AromaticContact CE1-CD1 3.82Å; Y461-W548 HydrophobicContact CE1-CD2 4.13Å; Y461-W548 AromaticContact CE1-CE2 3.8Å; Y461-W548 HydrophobicContact CE1-CG 4.15Å; Y461-W548 HydrophobicContact CE1-CZ2 4.33Å; Y461-W548 AromaticContact CE1-NE1 3.62Å; S463-W548 PolarHBondContact OG-NE1 3.45Å; L480-W548 HydrophobicContact CB-CH2 3.56Å; L480-W548 HydrophobicContact CB-CZ2 3.55Å; L480-W548 HydrophobicContact CD1-CZ2 4.44Å; L482-W548 HydrophobicContact CB-CH2 4.27Å; L482-W548 HydrophobicContact CB-CZ3 3.93Å; L482-W548 HydrophobicContact CD2-CZ3 4.41Å; L487-W548 HydrophobicContact CD1-CH2 3.86Å; L487-W548 HydrophobicContact CD1-CZ3 3.79Å; F525-W548 HydrophobicContact CD1-CB 4.49Å; F525-W548 HydrophobicContact CE1-CB 3.79Å; F525-W548 AromaticContact CE1-CG 3.87Å; F525-W548 HydrophobicContact CE1-CG 3.87Å; F525-W548 HydrophobicContact CZ-CB 4Å; F525-W548 HydrophobicContact CZ-CD2 4.18Å; F525-W548 HydrophobicContact CZ-CE3 4.49Å; F525-W548 AromaticContact CZ-CG 3.96Å; F525-W548 HydrophobicContact CZ-CG 3.96Å; D544-W548 VanDerWaalsContact O-CB 3.29Å; D544-W548 WeakPolarHBondContact O-CB 3.35Å; D544-W548 PolarHBondContact O-N 3.38Å; D544-W548 PolarHBondContact OD1-NE1 2.9Å; Q546-W548 PolarHBondContact O-N 2.86Å; W548-E550 VanDerWaalsContact C-N 3.3Å; W548-E550 PolarHBondContact O-N 2.85Å; W548-H551 PolarHBondContact O-N 3.22Å; W548-L552 HydrophobicContact CB-CD1 4.43Å; W548-L552 HydrophobicContact CE3-CD1 3.66Å; W548-L552 HydrophobicContact CE3-CD2 4.14Å; W548-L552 HydrophobicContact CE3-CG 3.79Å; W548-L552 HydrophobicContact CZ3-CD1 4.37Å; W548-L552 HydrophobicContact CZ3-CD2 4.11Å; W548-L552 HydrophobicContact CZ3-CG 4.27Å; W548-L552 VanDerWaalsContact O-CB 3.27Å; W548-L552 WeakPolarHBondContact O-CB 3.15Å; W548-L552 WeakPolarHBondContact O-CD1 3.31Å; W548-L552 WeakPolarHBondContact O-CG 3.5Å; W548-L552 PolarHBondContact O-N 2.93Å
549	V	89.6	Confident	85.7	Confident	33 Å²	33	53.8 Å²	53.8	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-40.6	-178.8	172.3	0	0	0	0	110.6	V512 F525 L545 Q546 T553	V512-V549 HydrophobicContact CG1-CG2 4.06Å; F525-V549 HydrophobicContact CB-CG2 4.16Å; F525-V549 HydrophobicContact CG-CG2 4.47Å; L545-V549 HydrophobicContact CD1-CG2 3.93Å; L545-V549 WeakPolarHBondContact O-CB 3.31Å; L545-V549 VanDerWaalsContact O-CG2 3.27Å; L545-V549 WeakPolarHBondContact O-CG2 3.43Å; L545-V549 PolarHBondContact O-N 2.91Å; L545-V549 VanDerWaalsContact O-N 3.08Å; Q546-V549 PolarHBondContact O-N 3.27Å; V549-T553 WeakPolarHBondContact O-CB 3.44Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.31Å
550	E	91.3	Very high	84.4	Confident	114 Å²	114	57 Å²	57	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-48.8	178.7	-162.6	-154.8	106.4	0	0	112.1	Q546 D547 W548 R554	Q546-E550 WeakPolarHBondContact O-CB 3.32Å; Q546-E550 PolarHBondContact O-N 3.23Å; D547-E550 PolarHBondContact O-N 3Å; W548-E550 VanDerWaalsContact C-N 3.3Å; W548-E550 PolarHBondContact O-N 2.85Å; E550-R554 VanDerWaalsContact O-CB 3.25Å; E550-R554 WeakPolarHBondContact O-CB 3.47Å; E550-R554 PolarHBondContact O-N 2.89Å; E550-R554 PolarHBondContact O-NH1 3.09Å; E550-R554 IonicContact OE1-CZ 3.14Å; E550-R554 IonicContact OE1-NH1 2.7Å; E550-R554 PolarHBondContact OE1-NH1 3.28Å; E550-R554 IonicContact OE1-NH2 2.72Å; E550-R554 PolarHBondContact OE1-NH2 3.35Å
551	H	89.9	Confident	83	Confident	34 Å²	34	57.1 Å²	57.1	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-48.8	179.2	-77.9	-59.3	0	0	0	111.8	Y461 L482 D547 W548 R554 Q555	Y461-H551 AromaticContact CD2-CD2 3.43Å; Y461-H551 VanDerWaalsContact CD2-CD2 3.43Å; Y461-H551 WeakPolarHBondContact CD2-CD2 3.29Å; Y461-H551 AromaticContact CD2-NE2 3.42Å; Y461-H551 WeakPolarHBondContact CD2-NE2 3.45Å; Y461-H551 AromaticContact CG-CD2 3.6Å; L482-H551 HydrophobicContact CD2-CB 3.82Å; D547-H551 VanDerWaalsContact O-CB 3.26Å; D547-H551 WeakPolarHBondContact O-CB 3.45Å; D547-H551 PolarHBondContact O-CD2 3.17Å; D547-H551 PolarHBondContact O-N 3.39Å; W548-H551 PolarHBondContact O-N 3.22Å; H551-R554 PolarHBondContact CE1-NH2 3Å; H551-R554 PolarHBondContact ND1-NH2 2.73Å; H551-R554 VanDerWaalsContact ND1-NH2 3.14Å; H551-R554 PolarHBondContact O-N 3.15Å; H551-Q555 WeakPolarHBondContact O-CG 3.06Å; H551-Q555 PolarHBondContact O-N 3.36Å
552	L	89.4	Confident	81.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-48.4	178.4	-66.4	163.9	0	0	0	111.3	L482 L487 L507 M510 V512 F525 L527 W548 R554 Q555 I556	L482-L552 HydrophobicContact CD1-CD2 3.69Å; L482-L552 HydrophobicContact CD2-CD2 3.99Å; L482-L552 HydrophobicContact CD2-CG 4.34Å; L482-L552 HydrophobicContact CG-CD2 4.43Å; L487-L552 HydrophobicContact CD2-CD2 4.39Å; L507-L552 HydrophobicContact CD2-CD2 4.38Å; M510-L552 HydrophobicContact CE-CD2 3.72Å; V512-L552 HydrophobicContact CG1-CD1 4.4Å; V512-L552 HydrophobicContact CG2-CB 3.69Å; V512-L552 HydrophobicContact CG2-CD1 4.05Å; V512-L552 HydrophobicContact CG2-CG 4.47Å; F525-L552 HydrophobicContact CE2-CD1 3.72Å; F525-L552 HydrophobicContact CZ-CD1 4.08Å; L527-L552 HydrophobicContact CD2-CD1 3.99Å; W548-L552 HydrophobicContact CB-CD1 4.43Å; W548-L552 HydrophobicContact CE3-CD1 3.66Å; W548-L552 HydrophobicContact CE3-CD2 4.14Å; W548-L552 HydrophobicContact CE3-CG 3.79Å; W548-L552 HydrophobicContact CZ3-CD1 4.37Å; W548-L552 HydrophobicContact CZ3-CD2 4.11Å; W548-L552 HydrophobicContact CZ3-CG 4.27Å; W548-L552 VanDerWaalsContact O-CB 3.27Å; W548-L552 WeakPolarHBondContact O-CB 3.15Å; W548-L552 WeakPolarHBondContact O-CD1 3.31Å; W548-L552 WeakPolarHBondContact O-CG 3.5Å; W548-L552 PolarHBondContact O-N 2.93Å; L552-R554 PolarHBondContact O-N 3.05Å; L552-Q555 PolarHBondContact O-N 2.91Å; L552-Q555 VanDerWaalsContact O-N 3.15Å; L552-I556 HydrophobicContact CB-CD1 4.45Å; L552-I556 WeakPolarHBondContact O-CB 3.33Å; L552-I556 WeakPolarHBondContact O-CD1 3.32Å; L552-I556 VanDerWaalsContact O-CG1 3.28Å; L552-I556 WeakPolarHBondContact O-CG1 3.4Å; L552-I556 PolarHBondContact O-N 2.97Å
553	T	88.6	Confident	78.9	Confident	45 Å²	45	58.2 Å²	58.2	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-39.2	177.5	-60	0	0	0	0	111.6	V549 K557	V549-T553 WeakPolarHBondContact O-CB 3.44Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.31Å; T553-K557 HydrophobicContact CG2-CD 4.13Å; T553-K557 WeakPolarHBondContact O-CB 3.46Å; T553-K557 VanDerWaalsContact O-CG 3.26Å; T553-K557 WeakPolarHBondContact O-CG 3.37Å; T553-K557 PolarHBondContact O-N 2.93Å
554	R	87.8	Confident	76.7	Confident	87 Å²	87	58 Å²	58	33%	0.328	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-50.3	175.1	175.8	160.7	63.3	-103.1	19.5	111.4	E550 H551 L552 K557 H558	E550-R554 VanDerWaalsContact O-CB 3.25Å; E550-R554 WeakPolarHBondContact O-CB 3.47Å; E550-R554 PolarHBondContact O-N 2.89Å; E550-R554 PolarHBondContact O-NH1 3.09Å; E550-R554 IonicContact OE1-CZ 3.14Å; E550-R554 IonicContact OE1-NH1 2.7Å; E550-R554 PolarHBondContact OE1-NH1 3.28Å; E550-R554 IonicContact OE1-NH2 2.72Å; E550-R554 PolarHBondContact OE1-NH2 3.35Å; H551-R554 PolarHBondContact CE1-NH2 3Å; H551-R554 PolarHBondContact ND1-NH2 2.73Å; H551-R554 VanDerWaalsContact ND1-NH2 3.14Å; H551-R554 PolarHBondContact O-N 3.15Å; L552-R554 PolarHBondContact O-N 3.05Å; R554-K557 PolarHBondContact O-N 3.46Å; R554-H558 PolarHBondContact O-CD2 3.29Å; R554-H558 PolarHBondContact O-N 3.48Å
555	Q	86.1	Confident	74.1	Confident	30 Å²	30	62.6 Å²	62.6	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-38.1	-178.2	-64.7	-55.1	-24.4	0	0	113.6	I460 L482 L507 H551 L552 K557 H558 S559	I460-Q555 VanDerWaalsContact CD1-CD 3.49Å; I460-Q555 HydrophobicContact CD1-CG 3.75Å; I460-Q555 VanDerWaalsContact CD1-NE2 3.32Å; L482-Q555 HydrophobicContact CD2-CG 4.27Å; L507-Q555 HydrophobicContact CD1-CB 3.74Å; H551-Q555 WeakPolarHBondContact O-CG 3.06Å; H551-Q555 PolarHBondContact O-N 3.36Å; L552-Q555 PolarHBondContact O-N 2.91Å; L552-Q555 VanDerWaalsContact O-N 3.15Å; Q555-K557 VanDerWaalsContact C-N 3.33Å; Q555-K557 PolarHBondContact O-N 2.78Å; Q555-H558 PolarHBondContact O-N 3.17Å; Q555-S559 WeakPolarHBondContact O-CB 3.44Å; Q555-S559 PolarHBondContact O-N 3.43Å
556	I	85	Confident	71.6	Confident	32 Å²	32	70.6 Å²	70.6	16%	0.164	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-44.5	174	-68.5	159.7	0	0	0	110.4	M510 V512 L552 S559 A560	M510-I556 HydrophobicContact CB-CD1 4.23Å; M510-I556 HydrophobicContact CB-CG1 4.38Å; M510-I556 HydrophobicContact CE-CD1 3.87Å; M510-I556 HydrophobicContact CE-CG1 4.29Å; M510-I556 HydrophobicContact CG-CD1 4.41Å; M510-I556 WeakPolarHBondContact O-CD1 3.33Å; M510-I556 WeakPolarHBondContact O-CG2 3.32Å; V512-I556 HydrophobicContact CG2-CD1 3.57Å; L552-I556 HydrophobicContact CB-CD1 4.45Å; L552-I556 WeakPolarHBondContact O-CB 3.33Å; L552-I556 WeakPolarHBondContact O-CD1 3.32Å; L552-I556 VanDerWaalsContact O-CG1 3.28Å; L552-I556 WeakPolarHBondContact O-CG1 3.4Å; L552-I556 PolarHBondContact O-N 2.97Å; I556-S559 PolarHBondContact O-N 3.34Å; I556-A560 WeakPolarHBondContact O-CB 3.33Å; I556-A560 PolarHBondContact O-N 2.67Å
557	K	80.4	Confident	68.8	Low	145 Å²	145	74.1 Å²	74.1	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-63.3	-41.1	175.7	-74.5	172.3	-179.6	176.6	0	112.5	T553 R554 Q555 A561	T553-K557 HydrophobicContact CG2-CD 4.13Å; T553-K557 WeakPolarHBondContact O-CB 3.46Å; T553-K557 VanDerWaalsContact O-CG 3.26Å; T553-K557 WeakPolarHBondContact O-CG 3.37Å; T553-K557 PolarHBondContact O-N 2.93Å; R554-K557 PolarHBondContact O-N 3.46Å; Q555-K557 VanDerWaalsContact C-N 3.33Å; Q555-K557 PolarHBondContact O-N 2.78Å; K557-A561 PolarHBondContact O-N 3.49Å
558	H	73.6	Confident	66.1	Low	108 Å²	108	78 Å²	78	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-66.3	-41.4	175.5	-76.1	-66	0	0	0	112.4	R554 Q555 A561 T562	R554-H558 PolarHBondContact O-CD2 3.29Å; R554-H558 PolarHBondContact O-N 3.48Å; Q555-H558 PolarHBondContact O-N 3.17Å; H558-A561 PolarHBondContact O-N 3.06Å; H558-T562 PolarHBondContact O-N 2.85Å; H558-T562 PolarHBondContact O-OG1 2.92Å
559	S	63.9	Low	63.2	Low	12 Å²	12	86.2 Å²	86.2	8%	0.084	48%	0.482	C	S	.	.	H	α-helix	trans	-64.9	-39	176.6	178.8	0	0	0	0	112.6	T508 Q555 I556 A561 T562 A563	T508-S559 PolarHBondContact OG1-OG 3.07Å; Q555-S559 WeakPolarHBondContact O-CB 3.44Å; Q555-S559 PolarHBondContact O-N 3.43Å; I556-S559 PolarHBondContact O-N 3.34Å; S559-A561 VanDerWaalsContact C-N 3.29Å; S559-A561 PolarHBondContact O-N 3.32Å; S559-T562 PolarHBondContact O-N 3.38Å; S559-T562 PolarHBondContact O-OG1 3.39Å; S559-A563 PolarHBondContact O-N 3.17Å
560	A	60.7	Low	60.3	Low	75 Å²	75	88.9 Å²	88.9	62%	0.62	51%	0.508	S	S	*	.	H	α-helix	trans	-65.8	-30.3	174.3	0	0	0	0	0	113	I556	I556-A560 WeakPolarHBondContact O-CB 3.33Å; I556-A560 PolarHBondContact O-N 2.67Å
561	A	57.4	Low	57.8	Low	85 Å²	85	89.6 Å²	89.6	70%	0.702	52%	0.519	S	S	*	.	H	α-helix	trans	-81.1	-21.3	179	0	0	0	0	0	114.1	K557 H558 S559	K557-A561 PolarHBondContact O-N 3.49Å; H558-A561 PolarHBondContact O-N 3.06Å; S559-A561 VanDerWaalsContact C-N 3.29Å; S559-A561 PolarHBondContact O-N 3.32Å
562	T	48.5	Very low	55	Low	101 Å²	101	93.7 Å²	93.7	62%	0.62	55%	0.549	S	S	*	.	H	α-helix	trans	-98.7	0.8	179.8	53.5	0	0	0	0	114.3	H558 S559 P564	H558-T562 PolarHBondContact O-N 2.85Å; H558-T562 PolarHBondContact O-OG1 2.92Å; S559-T562 PolarHBondContact O-N 3.38Å; S559-T562 PolarHBondContact O-OG1 3.39Å; T562-P564 WeakPolarHBondContact O-CD 3.49Å
563	A	36.6	Very low	52.1	Low	65 Å²	65	98.1 Å²	98.1	54%	0.537	58%	0.579	S	S	.	*			trans	-63.4	119.4	173.8	0	0	0	0	0	111.1	S559 S565	S559-A563 PolarHBondContact O-N 3.17Å; A563-S565 PolarHBondContact O-N 3.3Å
564	P	38.3	Very low	49.3	Very low	103 Å²	103	104 Å²	104	67%	0.669	60%	0.603	S	S	*	*			trans	-67.8	130.9	179.3	26.8	-33.1	0	0	0	110.6	T562 H566	T562-P564 WeakPolarHBondContact O-CD 3.49Å; P564-H566 VanDerWaalsContact C-N 3.25Å; P564-H566 PolarHBondContact O-N 3.17Å
565	S	31.3	Very low	46.5	Very low	104 Å²	104	106.6 Å²	106.6	73%	0.727	63%	0.629	S	S	*	*			trans	-70.3	75.2	178.6	-173.3	0	0	0	0	112.1	A563 K567	A563-S565 PolarHBondContact O-N 3.3Å; S565-K567 VanDerWaalsContact C-N 3.29Å; S565-K567 PolarHBondContact O-N 3.12Å
566	H	37.2	Very low	43.6	Very low	169 Å²	169	113.1 Å²	113.1	78%	0.782	66%	0.664	S	S	*	*			trans	-73.1	88.2	159.4	-81.3	-82.6	0	0	0	108.9	P564	P564-H566 VanDerWaalsContact C-N 3.25Å; P564-H566 PolarHBondContact O-N 3.17Å
567	K	28.8	Very low	41.4	Very low	172 Å²	172	116.9 Å²	116.9	75%	0.748	69%	0.69	S	S	*	*			trans	-58.8	129.4	167.4	-69.1	-176.9	178	179.4	0	109.2	S565 L569	S565-K567 VanDerWaalsContact C-N 3.29Å; S565-K567 PolarHBondContact O-N 3.12Å; K567-L569 PolarHBondContact O-N 3.36Å
568	P	32.5	Very low	38.8	Very low	124 Å²	124	115.3 Å²	115.3	81%	0.805	70%	0.698	S	S	*	*			trans	-62.4	125.9	164.5	-16.6	30.2	0	0	0	108.7	A570	P568-A570 VanDerWaalsContact C-N 3.31Å; P568-A570 PolarHBondContact O-N 3.21Å
569	L	29.5	Very low	36.7	Very low	172 Å²	172	118.9 Å²	118.9	90%	0.901	71%	0.714	S	S	*	*			trans	-72.3	88.7	171.4	-84.7	163	0	0	0	109.2	K567	K567-L569 PolarHBondContact O-N 3.36Å
570	A	30.7	Very low	35.1	Very low	89 Å²	89	124.5 Å²	124.5	74%	0.736	75%	0.75	S	S	*	*			trans	-66	129.5	162.5	0	0	0	0	0	108.9	P568 P572	P568-A570 VanDerWaalsContact C-N 3.31Å; P568-A570 PolarHBondContact O-N 3.21Å; A570-P572 WeakPolarHBondContact O-CD 3.46Å
571	V	37.8	Very low	33.5	Very low	129 Å²	129	128.9 Å²	128.9	78%	0.782	76%	0.762	S	S	*	*			trans	-79.5	132.5	175.3	-176.1	0	0	0	0	109.5
572	P	31.8	Very low	32.2	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	77%	0.768	S	S	*	*			trans	-120.9	130.1	154.1	14.4	7.4	0	0	0	110.6	A570	A570-P572 WeakPolarHBondContact O-CD 3.46Å
573	C	28.5	Very low	31.5	Very low	93 Å²	93	132.2 Å²	132.2	63%	0.628	78%	0.777	S	S	*	*			trans	-77.3	161.5	172.7	-65.1	0	0	0	0	111.9
574	H	29.6	Very low	31.1	Very low	169 Å²	169	133.7 Å²	133.7	78%	0.782	78%	0.783	S	S	*	*			trans	98	111.7	157.6	-49.4	-66.7	0	0	0	120.1
575	T	28.8	Very low	30.6	Very low	141 Å²	141	139.4 Å²	139.4	87%	0.865	79%	0.791	S	S	*	*			trans	78.2	130.2	137.8	48.9	0	0	0	0	122.3
576	L	26	Very low	30.4	Very low	167 Å²	167	143.8 Å²	143.8	87%	0.874	80%	0.8	S	S	*	*			trans	-59	176.6	172.6	-63.9	165.4	0	0	0	113.6
577	P	37.1	Very low	29.9	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	80%	0.795	S	S	*	*			cis	-146.1	178.9	16.3	42.9	-23.3	0	0	0	119.7
578	S	25.9	Very low	29.8	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	80%	0.801	S	S	*	*			trans	99.4	142.7	140.8	74	0	0	0	0	121.3
579	H	30.2	Very low	29.5	Very low	182 Å²	182	139 Å²	139	84%	0.843	79%	0.794	S	S	*	*			trans	-92.3	178.8	-167.5	-62.8	-97.8	0	0	0	113.4
580	P	30.5	Very low	29.5	Very low	130 Å²	130	142.2 Å²	142.2	84%	0.844	80%	0.795	S	S	*	*				-135.8	139.8	106.8	34.5	-22.7	0	0	0	117.3
581	L	27.1	Very low	29.3	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	79%	0.791	S	S	*	*			trans	-17.4	142.2	160.7	-62.7	156.5	0	0	0	120.6
582	T	30.5	Very low	28.9	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	79%	0.794	S	S	*	*			trans	-111.2	155.4	148.1	51.5	0	0	0	0	110.5
583	P	34.1	Very low	28.7	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	79%	0.791	S	S	*	*			trans	-103.3	119.4	174.8	34.8	-28.7	0	0	0	114.7
584	S	26.9	Very low	28.7	Very low	95 Å²	95	146 Å²	146	66%	0.664	80%	0.802	S	S	*	*				59.5	112.8	127.5	-179.2	0	0	0	0	123.1
585	R	27.3	Very low	28.6	Very low	223 Å²	223	141.8 Å²	141.8	84%	0.842	80%	0.796	S	S	*	*			trans	65.9	126.7	133.6	-66	176.7	164.7	-175.3	-5.2	121.3
586	H	27.4	Very low	29.2	Very low	197 Å²	197	139.9 Å²	139.9	91%	0.912	79%	0.786	S	S	*	*				-160.9	172.4	102.6	-109.5	-81.5	0	0	0	110.9
587	A	26.9	Very low	29.2	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	78%	0.776	S	S	*	*			trans	-139.4	167.7	-165.6	0	0	0	0	0	114.3
588	E	27.5	Very low	28.8	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.864	78%	0.776	S	S	*	*			trans	72	119.6	161.3	-59	-172.6	174.1	0	0	121.4
589	S	26.3	Very low	28.9	Very low	96 Å²	96	142.4 Å²	142.4	67%	0.671	77%	0.772	S	S	*	*				137.7	127.3	102.3	-146.9	0	0	0	0	117.3
590	R	29.8	Very low	28.8	Very low	240 Å²	240	139.1 Å²	139.1	91%	0.906	77%	0.765	S	S	*	*			trans	58.3	154.6	152.2	-70.2	172.6	170.9	179.9	-2.5	120.9
591	A	26.5	Very low	28.6	Very low	79 Å²	79	141.4 Å²	141.4	65%	0.653	77%	0.769	S	S	*	*			cis	-174.6	154.8	-25.9	0	0	0	0	0	110.5
592	M	29.3	Very low	29.1	Very low	173 Å²	173	138.8 Å²	138.8	85%	0.852	76%	0.762	S	S	*	*			trans	64.7	147.5	164.1	-62	173.6	70.4	0	0	116.7
593	T	26.2	Very low	29	Very low	118 Å²	118	141.6 Å²	141.6	72%	0.724	77%	0.766	S	S	*	*			cis	-161.5	173.5	-11.8	20	0	0	0	0	106
594	V	28.6	Very low	29	Very low	141 Å²	141	141.6 Å²	141.6	86%	0.855	77%	0.765	S	S	*	*			cis	-134.8	-158.8	19	-161.6	0	0	0	0	108.8
595	A	27.1	Very low	28.9	Very low	80 Å²	80	142.4 Å²	142.4	66%	0.661	77%	0.771	S	S	*	*			trans	-139.5	-164	172.7	0	0	0	0	0	109.3
596	P	42.9	Very low	29	Very low	100 Å²	100	136.8 Å²	136.8	65%	0.649	77%	0.766	S	S	*	*			cis	-118.1	-165.7	-32.6	28.6	-7	0	0	0	110.3
597	T	25.3	Very low	29	Very low	109 Å²	109	136.7 Å²	136.7	67%	0.669	77%	0.766	S	S	*	*				172.1	109.9	81	-55.3	0	0	0	0	110.4
598	Y	27.7	Very low	29	Very low	185 Å²	185	136.7 Å²	136.7	73%	0.725	77%	0.773	S	S	*	*			trans	38.8	155.5	133.9	-56.2	-49.2	0	0	0	123.8
599	H	28.9	Very low	29	Very low	151 Å²	151	134.1 Å²	134.1	70%	0.699	77%	0.771	S	S	*	*			cis	-155.3	141.8	-3.8	-118.3	-54.8	0	0	0	112.4
600	T	28.1	Very low	29	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.693	77%	0.773	S	S	*	*			trans	-19.7	145.4	154.5	48.9	0	0	0	0	121.6
601	L	27.3	Very low	28.9	Very low	178 Å²	178	132.2 Å²	132.2	93%	0.932	77%	0.769	S	S	*	*			trans	-113.5	137.6	146	-82	171.8	0	0	0	110
602	P	36.3	Very low	28.8	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	77%	0.772	S	S	*	*			trans	-110.3	144.6	175.6	37.1	-29	0	0	0	114.1
603	H	27.9	Very low	28.5	Very low	192 Å²	192	130.6 Å²	130.6	89%	0.889	77%	0.765	S	S	*	*			trans	-90	152.8	153.6	-82.7	-85.3	0	0	0	109.9
604	P	34	Very low	28.5	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	77%	0.767	S	S	*	*			trans	-132.4	148.5	136.2	35.3	-24.8	0	0	0	113.7
605	S	25.1	Very low	28.3	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	76%	0.755	S	S	*	*			trans	-88.9	150.3	170.8	52.8	0	0	0	0	112.3
606	S	29	Very low	28.2	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	77%	0.768	S	S	*	*				176.5	128.4	127.3	56	0	0	0	0	114.6
607	H	28.4	Very low	27.4	Very low	196 Å²	196	136.2 Å²	136.2	91%	0.907	77%	0.767	S	S	*	*			trans	25.2	135.4	142.6	-57.2	-75.1	0	0	0	123.1
608	G	28	Very low	27.8	Very low	82 Å²	82	136.6 Å²	136.6	85%	0.845	77%	0.771	S	S	*	*			trans	172.1	110.1	156.6	0	0	0	0	0	112.9
609	T	27.1	Very low	27.8	Very low	132 Å²	132	136 Å²	136	81%	0.81	78%	0.779	S	S	*	*			trans	-100.9	157.9	-178.4	37.3	0	0	0	0	113.5
610	T	25.9	Very low	27.8	Very low	117 Å²	117	137.4 Å²	137.4	72%	0.718	79%	0.786	S	S	*	*			trans	113.2	125.4	148.2	68.5	0	0	0	0	121.4
611	H	27.3	Very low	28.6	Very low	178 Å²	178	136.5 Å²	136.5	82%	0.824	78%	0.782	S	S	*	*			trans	66.7	114.6	140.7	-68	-55.1	0	0	0	124.9
612	S	24.4	Very low	28.9	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	77%	0.771	S	S	*	*				85.8	110.7	125.5	-121.7	0	0	0	0	124.1
613	T	23.3	Very low	28.4	Very low	118 Å²	118	134.1 Å²	134.1	72%	0.724	77%	0.77	S	S	*	*				56.5	135.1	128	45	0	0	0	0	125
614	M	25.3	Very low	28.6	Very low	155 Å²	155	130.8 Å²	130.8	76%	0.764	76%	0.764	S	S	*	*			trans	82.8	98.6	141.4	-64.8	-93.1	101.4	0	0	120.3
615	T	24.2	Very low	28.5	Very low	98 Å²	98	130.9 Å²	130.9	60%	0.601	76%	0.764	S	S	*	*				44.1	128	119.6	58	0	0	0	0	121.8
616	W	25.2	Very low	28.9	Very low	243 Å²	243	134.8 Å²	134.8	92%	0.92	77%	0.767	S	S	*	*				-177.9	152.5	105.2	-98.4	99.4	0	0	0	111.4
617	G	26.4	Very low	29.4	Very low	61 Å²	61	135 Å²	135	63%	0.629	77%	0.766	S	S	*	*			trans	-84.8	-151.2	167.7	0	0	0	0	0	112.1
618	P	34.8	Very low	29.2	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	77%	0.768	S	S	*	*			cis	-138.3	179.5	12.7	41.9	-24	0	0	0	115.7
619	L	27.8	Very low	29.2	Very low	172 Å²	172	139 Å²	139	90%	0.901	77%	0.765	S	S	*	*				171.5	133.6	125.7	-89.4	172	0	0	0	111.3
620	E	28.1	Very low	29.3	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	77%	0.766	S	S	*	*			trans	-155.7	-179.6	-175.7	-128.8	-162	168	0	0	106.6
621	P	45.5	Very low	29.4	Very low	95 Å²	95	140 Å²	140	62%	0.617	77%	0.769	S	S	*	*			cis	-127.5	-150.6	-16.7	38	-15.3	0	0	0	110.1
622	P	32.7	Very low	29.5	Very low	108 Å²	108	137 Å²	137	70%	0.701	77%	0.766	S	S	*	*				-147.5	144.8	61.7	35.4	-12.6	0	0	0	119.2
623	N	25.6	Very low	29.7	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	77%	0.77	S	S	*	*			trans	61.2	117.7	140.9	-57.2	-24.2	0	0	0	120.8
624	T	32.9	Very low	30	Very low	123 Å²	123	144 Å²	144	76%	0.755	77%	0.774	S	S	*	*			cis	70.9	140.7	48	84.4	0	0	0	0	114.1
625	P	31.5	Very low	30.1	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	78%	0.781	S	S	*	*				-138.1	157.7	74.1	35.9	-19	0	0	0	117.1
626	K	33.8	Very low	30.3	Very low	194 Å²	194	142.7 Å²	142.7	84%	0.843	79%	0.786	S	S	*	*			trans	-111	165.2	154.2	-68	178.2	172.4	174.9	0	107.7
627	P	39	Very low	30.6	Very low	110 Å²	110	135.7 Å²	135.7	71%	0.714	77%	0.772	S	S	*	*				-154.6	152.2	94.2	36.7	-17.3	0	0	0	118.7
628	W	23.9	Very low	30.8	Very low	252 Å²	252	139.3 Å²	139.3	96%	0.955	79%	0.785	S	S	*	*			trans	45.9	153.3	133.9	-54.9	48.6	0	0	0	119.9
629	S	28.3	Very low	30.5	Very low	110 Å²	110	141 Å²	141	77%	0.769	79%	0.786	S	S	*	*			cis	-154.8	-169.7	18	67.9	0	0	0	0	112.8
630	L	30.4	Very low	31	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	78%	0.783	S	S	*	*			trans	-68.8	140.3	174.8	-66.7	156	0	0	0	113.4
631	S	27.7	Very low	31.1	Very low	109 Å²	109	141 Å²	141	76%	0.762	78%	0.784	S	S	*	*			trans	171.5	129.5	136	-82.2	0	0	0	0	114.5
632	C	28.9	Very low	30.3	Very low	115 Å²	115	141.2 Å²	141.2	78%	0.777	79%	0.788	S	S	*	*			trans	61.2	136.2	131.9	-62.8	0	0	0	0	123.8
633	L	27.7	Very low	30.1	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	79%	0.794	S	S	*	*			trans	92.3	111.2	146	-64.2	154.1	0	0	0	121.5
634	R	30	Very low	30.2	Very low	215 Å²	215	138.7 Å²	138.7	81%	0.811	79%	0.794	S	S	*	*			trans	27.7	127.6	137.8	-54.3	-175.8	-167.8	176.5	5	119.9	A636	R634-A636 PolarHBondContact O-N 3.28Å
635	P	27.8	Very low	29.9	Very low	140 Å²	140	141.7 Å²	141.7	91%	0.909	80%	0.804	S	S	*	*			trans	-67.8	123.4	148.9	-11.3	27.8	0	0	0	110.6
636	A	28	Very low	29.5	Very low	86 Å²	86	140.8 Å²	140.8	71%	0.711	80%	0.8	S	S	*	*			trans	-146.1	166	161.2	0	0	0	0	0	107.5	R634	R634-A636 PolarHBondContact O-N 3.28Å
637	P	32.2	Very low	29.2	Very low	97 Å²	97	140.6 Å²	140.6	63%	0.63	80%	0.795	S	S	*	*				-113.7	163.5	-72.3	37.3	-28.9	0	0	0	111.1	L639	P637-L639 HydrophobicContact CG-CG 4.37Å; P637-L639 PolarHBondContact O-N 3.25Å
638	P	30	Very low	28.7	Very low	137 Å²	137	145.4 Å²	145.4	89%	0.89	81%	0.805	S	S	*	*			trans	-76.8	91.9	165	31.1	-30.5	0	0	0	110
639	L	28.4	Very low	28.8	Very low	151 Å²	151	140.1 Å²	140.1	79%	0.791	79%	0.791	S	S	*	*			trans	-71.1	134.5	162.3	-78.9	167.1	0	0	0	109.7	P637	P637-L639 HydrophobicContact CG-CG 4.37Å; P637-L639 PolarHBondContact O-N 3.25Å
640	R	39.6	Very low	28.7	Very low	222 Å²	222	141.3 Å²	141.3	84%	0.838	79%	0.788	S	S	*	*			trans	-59.5	154.2	161.3	-69.5	178.6	176.3	158.6	-2	109.7
641	P	29.8	Very low	28.5	Very low	131 Å²	131	141 Å²	141	85%	0.851	79%	0.787	S	S	*	*				-118.2	154.1	115.8	-8.2	27.4	0	0	0	113.8
642	S	28	Very low	28.6	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	78%	0.779	S	S	*	*			trans	-92.6	163.9	-177.6	-53.4	0	0	0	0	112.9
643	A	27.8	Very low	28.5	Very low	101 Å²	101	143.9 Å²	143.9	84%	0.835	78%	0.783	S	S	*	*			trans	65.2	135.1	162.2	0	0	0	0	0	116.1
644	A	27.7	Very low	28.4	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	78%	0.782	S	S	*	*			cis	-162.3	158.1	33.4	0	0	0	0	0	111.6
645	L	27.5	Very low	28.8	Very low	185 Å²	185	136.9 Å²	136.9	97%	0.969	78%	0.777	S	S	*	*			trans	-127	85.3	149	-78.4	-179.8	0	0	0	108.8
646	C	23.5	Very low	28.8	Very low	106 Å²	106	139.2 Å²	139.2	72%	0.716	77%	0.773	S	S	*	*			trans	-119.1	158.5	157.8	-100.1	0	0	0	0	107.9
647	Y	27.4	Very low	28.8	Very low	189 Å²	189	140.5 Å²	140.5	74%	0.741	78%	0.777	S	S	*	*			trans	73	107.4	-178.8	-67.2	-87.8	0	0	0	117.6	E649	Y647-E649 HydrophobicContact CD1-CG 4.02Å; Y647-E649 HydrophobicContact CE1-CG 4.2Å
648	K	27.8	Very low	28.5	Very low	211 Å²	211	142.2 Å²	142.2	92%	0.917	79%	0.785	S	S	*	*				-137.5	158	88.5	-83.1	-147.3	172	-171	0	111.9
649	E	26.5	Very low	28.6	Very low	142 Å²	142	144.8 Å²	144.8	66%	0.664	78%	0.782	S	S	*	*			trans	-90.8	163.1	-161.1	-80.5	156	124.7	0	0	116.4	Y647	Y647-E649 HydrophobicContact CD1-CG 4.02Å; Y647-E649 HydrophobicContact CE1-CG 4.2Å
650	D	25.9	Very low	28.7	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	79%	0.785	S	S	*	*			trans	58.9	120.8	145	-68	-21.9	0	0	0	122.3
651	L	27.4	Very low	28.1	Very low	155 Å²	155	143.5 Å²	143.5	81%	0.812	78%	0.783	S	S	*	*				-173	100	94.5	-96	165.9	0	0	0	114.1
652	S	28.3	Very low	28.1	Very low	85 Å²	85	144.6 Å²	144.6	59%	0.594	78%	0.781	S	S	*	*			trans	56.5	133.4	135	87.4	0	0	0	0	124
653	K	27	Very low	28.7	Very low	200 Å²	200	144.9 Å²	144.9	87%	0.87	78%	0.781	S	S	*	*			trans	86	120.6	146.9	-64.4	164.4	-174.6	174.9	0	120.7
654	S	26.3	Very low	28.8	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	78%	0.781	S	S	*	*			trans	-93.6	161.8	163.7	-169.8	0	0	0	0	110.6
655	P	38.7	Very low	28.7	Very low	110 Å²	110	157.4 Å²	157.4	71%	0.714	79%	0.793	S	S	*	*				-155.7	143.6	96.8	36.1	-15.1	0	0	0	119.5
656	K	28.1	Very low	28.8	Very low	188 Å²	188	157.6 Å²	157.6	82%	0.817	79%	0.786	S	S	*	*			trans	67.7	125.6	134.4	-64.6	174.7	179.6	178.3	0	125
657	S	26.6	Very low	29.4	Very low	114 Å²	114	158 Å²	158	80%	0.797	79%	0.787	S	S	*	*			trans	69.3	156	143.4	70.3	0	0	0	0	118.8
658	V	26.2	Very low	29.3	Very low	133 Å²	133	157.5 Å²	157.5	81%	0.806	79%	0.792	S	S	*	*			cis	-151.2	172.7	34.3	-166.9	0	0	0	0	112.7
659	K	31.4	Very low	29.3	Very low	190 Å²	190	159.1 Å²	159.1	83%	0.826	79%	0.792	S	S	*	*			trans	-65.9	169.7	-177.8	-55.2	168.7	175.2	175.6	0	118.4
660	K	30.9	Very low	29.6	Very low	193 Å²	193	162.2 Å²	162.2	84%	0.839	80%	0.804	S	S	*	*			trans	117.8	146.9	151.7	-69.3	179	173.2	-177.5	0	113.6
661	L	27.2	Very low	29.7	Very low	153 Å²	153	163.7 Å²	163.7	80%	0.801	81%	0.806	S	S	*	*			cis	-160.3	158.8	-5	-110.9	163.5	0	0	0	110.4
662	L	29.4	Very low	30.2	Very low	155 Å²	155	159.7 Å²	159.7	81%	0.812	79%	0.791	S	S	*	*			trans	-86.8	177.4	164.9	-79.2	162.6	0	0	0	110.4
663	P	42.4	Very low	30.6	Very low	106 Å²	106	164.1 Å²	164.1	69%	0.688	80%	0.802	S	S	*	*			cis	-144	169.5	10.7	40.5	-20.1	0	0	0	119.6
664	K	28.6	Very low	31.1	Very low	196 Å²	196	161.9 Å²	161.9	85%	0.852	80%	0.795	S	S	*	*			trans	53.7	119.3	146.1	-74.1	178.6	177.5	179.9	0	122.4
665	R	25.3	Very low	31.4	Very low	252 Å²	252	160.2 Å²	160.2	95%	0.951	78%	0.775	S	S	*	*				-165.9	146.2	104	-106.6	176.2	170.7	114.3	-5.7	112.4
666	K	30.8	Very low	31.4	Very low	189 Å²	189	162.6 Å²	162.6	82%	0.822	78%	0.775	S	S	*	*			trans	-88.9	168.4	167.6	-101.4	-171.8	-177.3	-174.5	0	108.9
667	P	36.4	Very low	32.1	Very low	114 Å²	114	156.6 Å²	156.6	74%	0.74	76%	0.76	S	S	*	*			cis	-123.5	-163.2	29.4	38.9	-18.4	0	0	0	111.9
668	E	24	Very low	32.8	Very low	179 Å²	179	156.9 Å²	156.9	84%	0.836	75%	0.752	S	S	*	*			cis	-129.7	-120.6	10.3	-62.2	-171.6	76	0	0	113.2
669	R	28.4	Very low	33.4	Very low	246 Å²	246	157.5 Å²	157.5	93%	0.928	74%	0.74	S	S	*	*			trans	-144.9	139.6	177.7	-95.4	178.4	162.6	133	-8.9	109.6
670	K	32.8	Very low	34.2	Very low	206 Å²	206	155.8 Å²	155.8	90%	0.896	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-91.7	147.9	160.3	-70.6	-175.9	173.7	-174.7	0	109.3
671	Q	28.1	Very low	34.9	Very low	166 Å²	166	149.8 Å²	149.8	78%	0.776	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-67.4	153.2	168.3	-82	167.3	-81	0	0	111	E675	Q671-E675 PolarHBondContact NE2-OE2 3.42Å
672	S	37.1	Very low	36.1	Very low	70 Å²	70	146.3 Å²	146.3	49%	0.49	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-89.6	153	-168	47.9	0	0	0	0	114.3	E674 E675	S672-E674 PolarHBondContact O-N 2.98Å; S672-E674 VanDerWaalsContact O-N 3.15Å; S672-E675 PolarHBondContact O-N 2.87Å
673	E	37	Very low	37.1	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-26.3	175.8	-87.3	166.3	118.5	0	0	114.3	E675 F676 A677	E673-E675 VanDerWaalsContact C-N 3.27Å; E673-E675 PolarHBondContact O-N 2.97Å; E673-F676 WeakPolarHBondContact O-CA 3.33Å; E673-F676 WeakPolarHBondContact O-CB 3.44Å; E673-F676 PolarHBondContact O-N 2.91Å; E673-A677 PolarHBondContact O-N 2.86Å
674	E	36.7	Very low	37.6	Very low	153 Å²	153	137.4 Å²	137.4	72%	0.715	66%	0.658	S	S	*	*	H	α-helix	trans	-57.9	-37	177.2	-72.1	173.2	119.8	0	0	112.8	S672 F676 A677 L678	S672-E674 PolarHBondContact O-N 2.98Å; S672-E674 VanDerWaalsContact O-N 3.15Å; E674-F676 PolarHBondContact O-N 3.33Å; E674-A677 PolarHBondContact O-N 3.37Å; E674-L678 WeakPolarHBondContact O-CB 3.46Å; E674-L678 PolarHBondContact O-N 3.43Å
675	E	34	Very low	38.9	Very low	73 Å²	73	133.5 Å²	133.5	34%	0.341	65%	0.646	S	S	.	*	H	α-helix	trans	-70.7	-16.2	178.6	-134.8	-163.3	124.6	0	0	112.3	Q671 S672 E673 R679	Q671-E675 PolarHBondContact NE2-OE2 3.42Å; S672-E675 PolarHBondContact O-N 2.87Å; E673-E675 VanDerWaalsContact C-N 3.27Å; E673-E675 PolarHBondContact O-N 2.97Å; E675-R679 VanDerWaalsContact CD-NH1 3.3Å; E675-R679 VanDerWaalsContact CG-NH1 3.35Å; E675-R679 WeakPolarHBondContact O-CD 3.46Å; E675-R679 WeakPolarHBondContact O-CG 3.46Å; E675-R679 PolarHBondContact O-NH1 3.46Å; E675-R679 IonicContact OE1-CZ 2.8Å; E675-R679 IonicContact OE1-NH1 2.78Å; E675-R679 PolarHBondContact OE1-NH1 3Å; E675-R679 IonicContact OE1-NH2 3.6Å; E675-R679 PolarHBondContact OE1-NH2 2.89Å
676	F	38.1	Very low	40.4	Very low	160 Å²	160	127.1 Å²	127.1	70%	0.702	63%	0.627	S	S	*	*	H	α-helix	trans	-90.1	-41.2	174.3	-153.1	-94.8	0	0	0	110.9	E673 E674 K680	E673-F676 WeakPolarHBondContact O-CA 3.33Å; E673-F676 WeakPolarHBondContact O-CB 3.44Å; E673-F676 PolarHBondContact O-N 2.91Å; E674-F676 PolarHBondContact O-N 3.33Å; F676-K680 PolarHBondContact O-N 2.99Å; F676-K680 VanDerWaalsContact O-N 3.11Å
677	A	43.7	Very low	41.3	Very low	63 Å²	63	120.6 Å²	120.6	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-63.6	-43.1	175.1	0	0	0	0	0	112.4	E673 E674 K680 S681	E673-A677 PolarHBondContact O-N 2.86Å; E674-A677 PolarHBondContact O-N 3.37Å; A677-K680 PolarHBondContact O-N 3.5Å; A677-S681 PolarHBondContact O-N 3.06Å
678	L	39.9	Very low	42.3	Very low	119 Å²	119	119.5 Å²	119.5	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-42.2	179.2	-171.9	63.9	0	0	0	111.9	E674 K680 S681 T682	E674-L678 WeakPolarHBondContact O-CB 3.46Å; E674-L678 PolarHBondContact O-N 3.43Å; L678-K680 VanDerWaalsContact C-N 3.29Å; L678-K680 PolarHBondContact O-N 3.24Å; L678-S681 PolarHBondContact O-N 3.33Å; L678-T682 PolarHBondContact O-N 2.89Å; L678-T682 PolarHBondContact O-OG1 3Å; L678-T682 VanDerWaalsContact O-OG1 3.09Å
679	R	40.3	Very low	44.1	Very low	146 Å²	146	113 Å²	113	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-60.5	-37.7	173.4	-76.9	-179.2	178.2	98.7	0.4	112.4	E675 T682 A683	E675-R679 VanDerWaalsContact CD-NH1 3.3Å; E675-R679 VanDerWaalsContact CG-NH1 3.35Å; E675-R679 WeakPolarHBondContact O-CD 3.46Å; E675-R679 WeakPolarHBondContact O-CG 3.46Å; E675-R679 PolarHBondContact O-NH1 3.46Å; E675-R679 IonicContact OE1-CZ 2.8Å; E675-R679 IonicContact OE1-NH1 2.78Å; E675-R679 PolarHBondContact OE1-NH1 3Å; E675-R679 IonicContact OE1-NH2 3.6Å; E675-R679 PolarHBondContact OE1-NH2 2.89Å; R679-T682 WeakPolarHBondContact CA-OG1 3.47Å; R679-T682 PolarHBondContact O-OG1 2.91Å; R679-A683 WeakPolarHBondContact O-CB 3.32Å; R679-A683 PolarHBondContact O-N 2.88Å
680	K	47.3	Very low	45.3	Very low	154 Å²	154	103.2 Å²	103.2	67%	0.67	53%	0.529	S	S	*	.	H	α-helix	trans	-71.3	-36.3	178.2	-148.8	176	-172.8	-175.4	0	112.4	F676 A677 L678 A684	F676-K680 PolarHBondContact O-N 2.99Å; F676-K680 VanDerWaalsContact O-N 3.11Å; A677-K680 PolarHBondContact O-N 3.5Å; L678-K680 VanDerWaalsContact C-N 3.29Å; L678-K680 PolarHBondContact O-N 3.24Å; K680-A684 WeakPolarHBondContact O-CB 3.38Å; K680-A684 PolarHBondContact O-N 2.91Å
681	S	45.4	Very low	46.7	Very low	67 Å²	67	96.3 Å²	96.3	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-70	-39.9	175.3	-171.8	0	0	0	0	112.6	A677 L678 A684 L685	A677-S681 PolarHBondContact O-N 3.06Å; L678-S681 PolarHBondContact O-N 3.33Å; S681-A684 PolarHBondContact O-N 3.15Å; S681-L685 WeakPolarHBondContact O-CG 3.31Å; S681-L685 PolarHBondContact O-N 3.34Å; S681-L685 VanDerWaalsContact O-N 3.15Å
682	T	51.6	Low	48.3	Very low	80 Å²	80	93.7 Å²	93.7	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-68.4	-39.5	174	48.5	0	0	0	0	112.2	L678 R679 L685 E686	L678-T682 PolarHBondContact O-N 2.89Å; L678-T682 PolarHBondContact O-OG1 3Å; L678-T682 VanDerWaalsContact O-OG1 3.09Å; R679-T682 WeakPolarHBondContact CA-OG1 3.47Å; R679-T682 PolarHBondContact O-OG1 2.91Å; T682-L685 PolarHBondContact O-N 2.75Å; T682-E686 PolarHBondContact O-N 3.32Å
683	A	51.2	Low	49.1	Very low	32 Å²	32	94.8 Å²	94.8	26%	0.264	49%	0.488	S	S	.	.	H	α-helix	trans	-61	-44.9	173.4	0	0	0	0	0	111.5	R679 L685 E686 E687	R679-A683 WeakPolarHBondContact O-CB 3.32Å; R679-A683 PolarHBondContact O-N 2.88Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 2.96Å; A683-E686 PolarHBondContact O-N 3.18Å; A683-E686 VanDerWaalsContact O-N 3.14Å; A683-E687 WeakPolarHBondContact O-CB 3.37Å; A683-E687 WeakPolarHBondContact O-CG 3.27Å; A683-E687 PolarHBondContact O-N 2.79Å
684	A	53.8	Low	50	Low	43 Å²	43	87.4 Å²	87.4	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-38.7	177.6	0	0	0	0	0	113.3	K680 S681 E687 D688	K680-A684 WeakPolarHBondContact O-CB 3.38Å; K680-A684 PolarHBondContact O-N 2.91Å; S681-A684 PolarHBondContact O-N 3.15Å; A684-E687 PolarHBondContact O-N 3.03Å; A684-D688 WeakPolarHBondContact O-CB 3.41Å; A684-D688 PolarHBondContact O-N 2.98Å
685	L	54.8	Low	51	Low	114 Å²	114	83.9 Å²	83.9	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-71.7	-29.7	175.5	-70.1	172.3	0	0	0	113.1	S681 T682 A683 A689	S681-L685 WeakPolarHBondContact O-CG 3.31Å; S681-L685 PolarHBondContact O-N 3.34Å; S681-L685 VanDerWaalsContact O-N 3.15Å; T682-L685 PolarHBondContact O-N 2.75Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 2.96Å; L685-A689 VanDerWaalsContact O-CB 3.25Å; L685-A689 WeakPolarHBondContact O-CB 3.35Å; L685-A689 PolarHBondContact O-N 3Å
686	E	57.7	Low	52	Low	117 Å²	117	86.4 Å²	86.4	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-73.6	-41.4	172.7	-173.1	167.6	-163.8	0	0	111.3	T682 A683 A689 Q690	T682-E686 PolarHBondContact O-N 3.32Å; A683-E686 PolarHBondContact O-N 3.18Å; A683-E686 VanDerWaalsContact O-N 3.14Å; E686-A689 PolarHBondContact O-N 3.45Å; E686-Q690 VanDerWaalsContact O-CB 3.3Å; E686-Q690 WeakPolarHBondContact O-CB 3.48Å; E686-Q690 PolarHBondContact O-N 3.15Å
687	E	49.9	Very low	52.5	Low	52 Å²	52	79.1 Å²	79.1	24%	0.243	42%	0.422	C	S	.	.	H	α-helix	trans	-56.3	-52	169.1	-73.9	-177.5	175.8	0	0	110.5	S372 A683 A684 A689 Q690 I691	S372-E687 VanDerWaalsContact C-OE1 3.25Å; S372-E687 WeakPolarHBondContact CB-OE1 3.43Å; S372-E687 WeakPolarHBondContact O-CG 3.21Å; S372-E687 PolarHBondContact OG-OE1 2.94Å; A683-E687 WeakPolarHBondContact O-CB 3.37Å; A683-E687 WeakPolarHBondContact O-CG 3.27Å; A683-E687 PolarHBondContact O-N 2.79Å; A684-E687 PolarHBondContact O-N 3.03Å; E687-A689 PolarHBondContact O-N 2.88Å; E687-Q690 CarbonylContact O-C 3.47Å; E687-Q690 WeakPolarHBondContact O-CB 3.47Å; E687-Q690 PolarHBondContact O-N 2.8Å; E687-Q690 VanDerWaalsContact O-N 3.14Å; E687-I691 WeakPolarHBondContact O-CB 3.38Å; E687-I691 VanDerWaalsContact O-CG1 3.24Å; E687-I691 WeakPolarHBondContact O-CG1 3.26Å; E687-I691 PolarHBondContact O-N 2.74Å
688	D	56.4	Low	53	Low	91 Å²	91	78.1 Å²	78.1	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-42.1	177	-83.7	-17.4	0	0	0	112.6	A684 Q690 I691 L692	A684-D688 WeakPolarHBondContact O-CB 3.41Å; A684-D688 PolarHBondContact O-N 2.98Å; D688-Q690 VanDerWaalsContact C-N 3.28Å; D688-Q690 PolarHBondContact O-N 3.1Å; D688-I691 PolarHBondContact O-N 3.22Å; D688-L692 WeakPolarHBondContact O-CB 3.5Å; D688-L692 VanDerWaalsContact O-CG 3.28Å; D688-L692 WeakPolarHBondContact O-CG 3.26Å; D688-L692 PolarHBondContact O-N 2.97Å
689	A	62.6	Low	53.3	Low	44 Å²	44	75.3 Å²	75.3	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-32.2	175.9	0	0	0	0	0	112.3	L685 E686 E687 K693	L685-A689 VanDerWaalsContact O-CB 3.25Å; L685-A689 WeakPolarHBondContact O-CB 3.35Å; L685-A689 PolarHBondContact O-N 3Å; E686-A689 PolarHBondContact O-N 3.45Å; E687-A689 PolarHBondContact O-N 2.88Å; A689-K693 WeakPolarHBondContact O-CG 3.35Å; A689-K693 PolarHBondContact O-N 3.33Å; A689-K693 VanDerWaalsContact O-N 3.13Å
690	Q	52	Low	53.5	Low	39 Å²	39	73 Å²	73	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-75.3	-42.1	175.1	-161.6	77	-25.2	0	0	111.3	L376 T380 E686 E687 D688 L692 K693 V694	L376-Q690 HydrophobicContact CB-CG 4.3Å; T380-Q690 WeakPolarHBondContact OG1-CG 3.49Å; T380-Q690 PolarHBondContact OG1-NE2 2.87Å; E686-Q690 VanDerWaalsContact O-CB 3.3Å; E686-Q690 WeakPolarHBondContact O-CB 3.48Å; E686-Q690 PolarHBondContact O-N 3.15Å; E687-Q690 CarbonylContact O-C 3.47Å; E687-Q690 WeakPolarHBondContact O-CB 3.47Å; E687-Q690 PolarHBondContact O-N 2.8Å; E687-Q690 VanDerWaalsContact O-N 3.14Å; D688-Q690 VanDerWaalsContact C-N 3.28Å; D688-Q690 PolarHBondContact O-N 3.1Å; Q690-L692 VanDerWaalsContact C-N 3.29Å; Q690-L692 PolarHBondContact O-N 3.5Å; Q690-K693 PolarHBondContact O-N 2.84Å; Q690-K693 VanDerWaalsContact O-N 3.17Å; Q690-V694 WeakPolarHBondContact O-CG2 3.48Å; Q690-V694 PolarHBondContact O-N 3.37Å
691	I	64.2	Low	53.1	Low	61 Å²	61	67.8 Å²	67.8	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-43.9	171.2	-69.6	165.6	0	0	0	109.9	L376 E687 D688 K693 V694 I695	L376-I691 HydrophobicContact CD1-CD1 4.19Å; L376-I691 HydrophobicContact CD1-CG1 3.46Å; L376-I691 VanDerWaalsContact CD1-CG1 3.46Å; E687-I691 WeakPolarHBondContact O-CB 3.38Å; E687-I691 VanDerWaalsContact O-CG1 3.24Å; E687-I691 WeakPolarHBondContact O-CG1 3.26Å; E687-I691 PolarHBondContact O-N 2.74Å; D688-I691 PolarHBondContact O-N 3.22Å; I691-K693 PolarHBondContact O-N 3.33Å; I691-V694 CarbonylContact O-C 3.53Å; I691-V694 PolarHBondContact O-N 3.18Å; I691-I695 HydrophobicContact CG2-CD1 3.7Å; I691-I695 HydrophobicContact CG2-CG1 4.33Å; I691-I695 WeakPolarHBondContact O-CB 3.39Å; I691-I695 VanDerWaalsContact O-CG1 3.29Å; I691-I695 WeakPolarHBondContact O-CG1 3.46Å; I691-I695 PolarHBondContact O-N 3.46Å
692	L	61	Low	52.5	Low	112 Å²	112	67.4 Å²	67.4	59%	0.586	38%	0.38	S	S	*	.	H	α-helix	trans	-65.3	-35.8	176.8	-74.7	170.5	0	0	0	113	D688 Q690 I695 E696	D688-L692 WeakPolarHBondContact O-CB 3.5Å; D688-L692 VanDerWaalsContact O-CG 3.28Å; D688-L692 WeakPolarHBondContact O-CG 3.26Å; D688-L692 PolarHBondContact O-N 2.97Å; Q690-L692 VanDerWaalsContact C-N 3.29Å; Q690-L692 PolarHBondContact O-N 3.5Å; L692-I695 PolarHBondContact O-N 2.95Å; L692-E696 WeakPolarHBondContact O-CB 3.37Å; L692-E696 PolarHBondContact O-N 3.32Å
693	K	53.7	Low	51.6	Low	92 Å²	92	73.2 Å²	73.2	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-68.6	-36.8	171.7	-71.1	166.8	-166.1	163.4	0	112.5	T380 A689 Q690 I691 E696 A697	T380-K693 HydrophobicContact CG2-CB 4.28Å; A689-K693 WeakPolarHBondContact O-CG 3.35Å; A689-K693 PolarHBondContact O-N 3.33Å; A689-K693 VanDerWaalsContact O-N 3.13Å; Q690-K693 PolarHBondContact O-N 2.84Å; Q690-K693 VanDerWaalsContact O-N 3.17Å; I691-K693 PolarHBondContact O-N 3.33Å; K693-E696 PolarHBondContact O-N 3.08Å; K693-A697 WeakPolarHBondContact O-CB 3.29Å; K693-A697 PolarHBondContact O-N 2.97Å
694	V	55.2	Low	50.8	Low	23 Å²	23	77.2 Å²	77.2	14%	0.139	42%	0.42	C	S	.	.	H	α-helix	trans	-65.5	-45.6	171.8	173.1	0	0	0	0	109.8	L376 T379 T380 Q690 I691 E696 A697 Y698	L376-V694 HydrophobicContact CD2-CG2 4.45Å; T379-V694 HydrophobicContact CG2-CG1 4.01Å; T379-V694 HydrophobicContact CG2-CG2 4.18Å; T380-V694 WeakPolarHBondContact OG1-CG2 3.27Å; Q690-V694 WeakPolarHBondContact O-CG2 3.48Å; Q690-V694 PolarHBondContact O-N 3.37Å; I691-V694 CarbonylContact O-C 3.53Å; I691-V694 PolarHBondContact O-N 3.18Å; V694-E696 VanDerWaalsContact C-N 3.35Å; V694-E696 PolarHBondContact O-N 3.05Å; V694-A697 CarbonylContact O-C 3.57Å; V694-A697 PolarHBondContact O-N 3.24Å; V694-Y698 HydrophobicContact CG1-CD2 3.81Å; V694-Y698 HydrophobicContact CG1-CE2 4.04Å; V694-Y698 HydrophobicContact CG1-CG 4.45Å; V694-Y698 WeakPolarHBondContact O-CB 3.3Å; V694-Y698 WeakPolarHBondContact O-CD2 3.37Å; V694-Y698 PolarHBondContact O-N 3.23Å
695	I	58.5	Low	49.8	Very low	80 Å²	80	86.6 Å²	86.6	41%	0.41	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-43.3	174.6	-71	170.2	0	0	0	110.5	I691 L692 A697 Y698 C699	I691-I695 HydrophobicContact CG2-CD1 3.7Å; I691-I695 HydrophobicContact CG2-CG1 4.33Å; I691-I695 WeakPolarHBondContact O-CB 3.39Å; I691-I695 VanDerWaalsContact O-CG1 3.29Å; I691-I695 WeakPolarHBondContact O-CG1 3.46Å; I691-I695 PolarHBondContact O-N 3.46Å; L692-I695 PolarHBondContact O-N 2.95Å; I695-A697 PolarHBondContact O-N 3.33Å; I695-Y698 PolarHBondContact O-N 3.32Å; I695-C699 HydrophobicContact CG2-CB 4.12Å; I695-C699 VanDerWaalsContact O-CA 3.32Å; I695-C699 WeakPolarHBondContact O-CA 3.31Å; I695-C699 WeakPolarHBondContact O-CB 3.48Å; I695-C699 PolarHBondContact O-N 3.35Å
696	E	54.7	Low	48.7	Very low	125 Å²	125	86.4 Å²	86.4	58%	0.584	44%	0.442	S	S	*	.	H	α-helix	trans	-61.4	-45.1	175	-174.1	177.7	-149.2	0	0	112	M387 L692 K693 V694 Y698 T700	M387-E696 HydrophobicContact CE-CG 4.4Å; M387-E696 VanDerWaalsContact CE-OE2 3.27Å; M387-E696 WeakPolarHBondContact CE-OE2 3.28Å; L692-E696 WeakPolarHBondContact O-CB 3.37Å; L692-E696 PolarHBondContact O-N 3.32Å; K693-E696 PolarHBondContact O-N 3.08Å; V694-E696 VanDerWaalsContact C-N 3.35Å; V694-E696 PolarHBondContact O-N 3.05Å; E696-Y698 PolarHBondContact O-N 3.24Å; E696-T700 PolarHBondContact O-OG1 3.36Å
697	A	48.5	Very low	47.2	Very low	7 Å²	7	87.3 Å²	87.3	6%	0.058	46%	0.456	C	S	.	.	H	α-helix	trans	-79.1	-11.8	-176.7	0	0	0	0	0	115.2	M387 R431 K693 V694 I695	M387-A697 HydrophobicContact CG-CB 3.97Å; M387-A697 HydrophobicContact SD-CB 3.96Å; R431-A697 PolarHBondContact NH1-O 3.37Å; R431-A697 PolarHBondContact NH2-O 3.01Å; K693-A697 WeakPolarHBondContact O-CB 3.29Å; K693-A697 PolarHBondContact O-N 2.97Å; V694-A697 CarbonylContact O-C 3.57Å; V694-A697 PolarHBondContact O-N 3.24Å; I695-A697 PolarHBondContact O-N 3.33Å
698	Y	54	Low	46.4	Very low	43 Å²	43	91.2 Å²	91.2	17%	0.169	48%	0.478	C	S	.	.	H	α-helix	trans	-117.8	-34.1	178.4	-71.3	-110.3	0	0	0	112.4	H347 V351 T379 V694 I695 E696 T700 S701	H347-Y698 AromaticContact CE1-CZ 3.6Å; H347-Y698 PolarHBondContact CE1-OH 2.89Å; H347-Y698 AromaticContact NE2-CD1 3.85Å; H347-Y698 AromaticContact NE2-CE1 2.97Å; H347-Y698 WeakPolarHBondContact NE2-CE1 3.46Å; H347-Y698 AromaticContact NE2-CE2 3.81Å; H347-Y698 AromaticContact NE2-CZ 2.97Å; H347-Y698 PolarHBondContact NE2-OH 3.11Å; V351-Y698 HydrophobicContact CG1-CE1 4.05Å; V351-Y698 HydrophobicContact CG2-CE1 3.76Å; V351-Y698 WeakPolarHBondContact CG2-OH 3.41Å; T379-Y698 HydrophobicContact CG2-CE2 3.91Å; T379-Y698 WeakPolarHBondContact CG2-OH 3.48Å; T379-Y698 PolarHBondContact O-OH 3.06Å; V694-Y698 HydrophobicContact CG1-CD2 3.81Å; V694-Y698 HydrophobicContact CG1-CE2 4.04Å; V694-Y698 HydrophobicContact CG1-CG 4.45Å; V694-Y698 WeakPolarHBondContact O-CB 3.3Å; V694-Y698 WeakPolarHBondContact O-CD2 3.37Å; V694-Y698 PolarHBondContact O-N 3.23Å; I695-Y698 PolarHBondContact O-N 3.32Å; E696-Y698 PolarHBondContact O-N 3.24Å; Y698-T700 VanDerWaalsContact C-N 3.34Å; Y698-T700 PolarHBondContact O-N 2.99Å; Y698-S701 WeakPolarHBondContact O-CB 3.44Å; Y698-S701 PolarHBondContact O-N 2.82Å
699	C	46.2	Very low	45.1	Very low	60 Å²	60	95 Å²	95	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-85.1	2.2	-179	-60.2	0	0	0	0	115	I695 S701 A702	I695-C699 HydrophobicContact CG2-CB 4.12Å; I695-C699 VanDerWaalsContact O-CA 3.32Å; I695-C699 WeakPolarHBondContact O-CA 3.31Å; I695-C699 WeakPolarHBondContact O-CB 3.48Å; I695-C699 PolarHBondContact O-N 3.35Å; C699-S701 PolarHBondContact O-N 2.92Å; C699-A702 HydrophobicContact CB-CB 3.76Å; C699-A702 PolarHBondContact O-N 3.42Å
700	T	45.8	Very low	43.4	Very low	98 Å²	98	98.3 Å²	98.3	60%	0.601	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28	155.4	29.3	0	0	0	0	111.6	E696 Y698	E696-T700 PolarHBondContact O-OG1 3.36Å; Y698-T700 VanDerWaalsContact C-N 3.34Å; Y698-T700 PolarHBondContact O-N 2.99Å
701	S	37.1	Very low	42.2	Very low	43 Å²	43	108.3 Å²	108.3	30%	0.301	55%	0.554	S	S	.	*	S	Bend	trans	-79.7	-24.7	170.2	-149.8	0	0	0	0	113.2	E435 Y698 C699 K703	E435-S701 PolarHBondContact OE2-OG 3.17Å; Y698-S701 WeakPolarHBondContact O-CB 3.44Å; Y698-S701 PolarHBondContact O-N 2.82Å; C699-S701 PolarHBondContact O-N 2.92Å; S701-K703 PolarHBondContact O-N 3.41Å
702	A	34.5	Very low	40.4	Very low	59 Å²	59	111 Å²	111	49%	0.488	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-84.1	-5.9	-166.2	0	0	0	0	0	115.7	C699 T704	C699-A702 HydrophobicContact CB-CB 3.76Å; C699-A702 PolarHBondContact O-N 3.42Å; A702-T704 PolarHBondContact O-N 3.42Å
703	K	31.6	Very low	38.7	Very low	203 Å²	203	115.7 Å²	115.7	88%	0.883	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-79.6	8.9	-177.9	-112.6	178.7	-177	175.7	0	115.2	S701	S701-K703 PolarHBondContact O-N 3.41Å
704	T	34.1	Very low	37.6	Very low	115 Å²	115	116.6 Å²	116.6	71%	0.706	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-116.2	39.3	176	50.4	0	0	0	0	114.2	A702 Q706	A702-T704 PolarHBondContact O-N 3.42Å; T704-Q706 PolarHBondContact O-N 3.06Å
705	R	33.6	Very low	36.2	Very low	241 Å²	241	124.8 Å²	124.8	91%	0.909	64%	0.641	S	S	*	*	S	Bend	trans	-72.8	81.3	152.1	-82.7	-170.6	175.2	-105.5	-2	109.8
706	Q	32.1	Very low	34.7	Very low	109 Å²	109	127.4 Å²	127.4	51%	0.509	66%	0.661	S	S	.	*			trans	-1.9	116.1	166	-67.4	171	-11.1	0	0	117.8	T704 L708	T704-Q706 PolarHBondContact O-N 3.06Å; Q706-L708 HydrophobicContact CB-CD1 4.34Å; Q706-L708 HydrophobicContact CB-CG 4.1Å; Q706-L708 HydrophobicContact CG-CD1 4.15Å; Q706-L708 HydrophobicContact CG-CG 4.09Å
707	T	26.3	Very low	33.5	Very low	137 Å²	137	124.1 Å²	124.1	84%	0.84	66%	0.66	S	S	*	*			trans	-107.7	82.7	141	42.3	0	0	0	0	108.5	N709	T707-N709 PolarHBondContact O-N 2.91Å
708	L	33	Very low	32.6	Very low	133 Å²	133	131.7 Å²	131.7	70%	0.696	70%	0.699	S	S	*	*			trans	-68.6	87.7	178.9	-77.4	164.3	0	0	0	110.9	Q706	Q706-L708 HydrophobicContact CB-CD1 4.34Å; Q706-L708 HydrophobicContact CB-CG 4.1Å; Q706-L708 HydrophobicContact CG-CD1 4.15Å; Q706-L708 HydrophobicContact CG-CG 4.09Å
709	N	28	Very low	31.5	Very low	172 Å²	172	137.8 Å²	137.8	92%	0.92	73%	0.729	S	S	*	*			trans	-166.4	35.5	159.3	-104.7	-22.1	0	0	0	114.6	T707	T707-N709 PolarHBondContact O-N 2.91Å
710	S	27	Very low	30.7	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	74%	0.742	S	S	*	*			trans	-108.4	103.9	163.3	51.6	0	0	0	0	110.5	S712	S710-S712 PolarHBondContact O-N 3.34Å
711	R	27.6	Very low	30	Very low	248 Å²	248	142.9 Å²	142.9	94%	0.936	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-54.1	122.5	172.9	-164.8	177.2	-167.9	173.1	2.6	109.1	R713	R711-R713 PolarHBondContact O-N 3.49Å; R711-R713 VanDerWaalsContact O-N 3.17Å
712	S	25.9	Very low	29.7	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60.5	117.8	179.4	38.3	0	0	0	0	110.4	S710	S710-S712 PolarHBondContact O-N 3.34Å
713	R	25.3	Very low	29.6	Very low	211 Å²	211	150.4 Å²	150.4	80%	0.796	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.3	130.8	168	-166.5	174.8	-178.4	172.8	1.2	106.6	R711 E715	R711-R713 PolarHBondContact O-N 3.49Å; R711-R713 VanDerWaalsContact O-N 3.17Å; R713-E715 PolarHBondContact O-N 3.38Å
714	P	30.3	Very low	29.9	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.1	132.3	180	26.3	-33.4	0	0	0	109.9	T716	P714-T716 PolarHBondContact O-N 2.94Å
715	E	26	Very low	30	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	78%	0.781	S	S	*	*			trans	-72.1	108.7	171.1	-68.7	-173.6	139.6	0	0	109	R713	R713-E715 PolarHBondContact O-N 3.38Å
716	T	27.5	Very low	30.1	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	78%	0.783	S	S	*	*			trans	-66.7	143.7	167.6	-37.7	0	0	0	0	109.3	P714	P714-T716 PolarHBondContact O-N 2.94Å
717	G	28.3	Very low	30.4	Very low	56 Å²	56	143.9 Å²	143.9	58%	0.577	78%	0.783	S	S	*	*			trans	-66.9	176.5	-164.9	0	0	0	0	0	117.2	H719	G717-H719 PolarHBondContact O-N 2.72Å
718	L	30.2	Very low	30.8	Very low	165 Å²	165	142.5 Å²	142.5	86%	0.864	77%	0.774	S	S	*	*			trans	-43.5	124.8	-173.9	-77.7	67.9	0	0	0	114.7	V720	L718-V720 PolarHBondContact O-N 3.26Å
719	H	30	Very low	30.9	Very low	171 Å²	171	144 Å²	144	79%	0.792	78%	0.775	S	S	*	*			trans	-83.1	107.6	158.2	-76.4	-71.7	0	0	0	110.6	G717	G717-H719 PolarHBondContact O-N 2.72Å
720	V	30.5	Very low	31.4	Very low	113 Å²	113	141.7 Å²	141.7	69%	0.685	76%	0.762	S	S	*	*			trans	-96.2	116.9	163.2	179.1	0	0	0	0	108.2	L718 I722	L718-V720 PolarHBondContact O-N 3.26Å; V720-I722 HydrophobicContact CG1-CG1 4.02Å
721	I	30.8	Very low	31.7	Very low	153 Å²	153	144.6 Å²	144.6	79%	0.785	77%	0.769	S	S	*	*			trans	-95.6	111.1	169.4	-60.2	173.8	0	0	0	107.3
722	I	31.8	Very low	32.1	Very low	136 Å²	136	139.6 Å²	139.6	70%	0.697	76%	0.761	S	S	*	*			trans	-91.7	122.8	165.9	-56.5	-177.5	0	0	0	107.1	V720 G724	V720-I722 HydrophobicContact CG1-CG1 4.02Å; I722-G724 PolarHBondContact O-N 2.9Å
723	P	31.1	Very low	32.5	Very low	124 Å²	124	140 Å²	140	81%	0.805	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	116.2	176	-9.9	25.4	0	0	0	109.7
724	G	38.7	Very low	32.8	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	172.9	-42.7	173.2	0	0	0	0	0	116.9	I722	I722-G724 PolarHBondContact O-N 2.9Å
725	E	36.1	Very low	33.3	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	77%	0.768	S	S	*	*			trans	-141.7	143.1	-171.5	-61.2	-172.1	164.8	0	0	112.2	K727	E725-K727 PolarHBondContact O-N 2.75Å
726	D	36.4	Very low	33.8	Very low	178 Å²	178	141.2 Å²	141.2	95%	0.952	77%	0.765	S	S	*	*	S	Bend	trans	-74.7	58.4	179.5	-70.1	-43.8	0	0	0	112.4
727	K	36.7	Very low	34.6	Very low	117 Å²	117	138.6 Å²	138.6	51%	0.509	77%	0.765	S	S	.	*			trans	-133.4	128.5	178.1	-66.7	-161.9	174.2	-157.5	0	112.3	E725 F729 E743	E725-K727 PolarHBondContact O-N 2.75Å; K727-F729 HydrophobicContact CB-CE2 4.42Å; K727-E743 IonicContact NZ-OE1 3Å; K727-E743 PolarHBondContact NZ-OE1 3.23Å
728	V	35.3	Very low	34.7	Very low	107 Å²	107	144.9 Å²	144.9	65%	0.648	78%	0.78	S	S	*	*			trans	-118.1	120.6	175.5	179.4	0	0	0	0	108.1	L730	V728-L730 HydrophobicContact CG1-CD1 4.42Å; V728-L730 HydrophobicContact CG1-CG 4.47Å
729	F	35.9	Very low	34.5	Very low	164 Å²	164	143.3 Å²	143.3	72%	0.719	78%	0.783	S	S	*	*			trans	-94.2	129	173.4	-65.4	-85.4	0	0	0	109.7	K727	K727-F729 HydrophobicContact CB-CE2 4.42Å
730	L	37.9	Very low	34.5	Very low	125 Å²	125	139.5 Å²	139.5	65%	0.654	78%	0.781	S	S	*	*			trans	-131.8	118.6	174.1	-87.8	161.1	0	0	0	108	V728	V728-L730 HydrophobicContact CG1-CD1 4.42Å; V728-L730 HydrophobicContact CG1-CG 4.47Å
731	D	33.5	Very low	34.7	Very low	173 Å²	173	141.8 Å²	141.8	93%	0.925	79%	0.788	S	S	*	*			trans	-84.3	118.7	167.8	-112.3	-22.4	0	0	0	108.1
732	D	36.3	Very low	35	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	78%	0.784	S	S	*	*			trans	-129.9	113.8	176.6	-166.3	12.6	0	0	0	109.3	N734	D732-N734 PolarHBondContact O-N 3.13Å
733	P	34	Very low	35.3	Very low	124 Å²	124	141.9 Å²	141.9	81%	0.805	78%	0.782	S	S	*	*			trans	-77.6	96.2	-171	30.5	-34.9	0	0	0	111.4
734	N	32.5	Very low	36.2	Very low	152 Å²	152	143 Å²	143	81%	0.813	78%	0.775	S	S	*	*			trans	-82	151	171	-153.9	-4	0	0	0	112.5	D732 N736	D732-N734 PolarHBondContact O-N 3.13Å; N734-N736 VanDerWaalsContact C-N 3.28Å; N734-N736 PolarHBondContact O-N 3Å
735	R	39.3	Very low	37.2	Very low	232 Å²	232	142.5 Å²	142.5	88%	0.875	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	27.4	-146	-160.9	175.9	165.5	-156.6	-4	116.6
736	N	37.2	Very low	38.1	Very low	160 Å²	160	140.9 Å²	140.9	86%	0.856	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.8	23.8	-172.2	-116	8.8	0	0	0	117.4	N734 Q738	N734-N736 VanDerWaalsContact C-N 3.28Å; N734-N736 PolarHBondContact O-N 3Å; N736-Q738 PolarHBondContact O-N 3.26Å
737	G	43.2	Very low	39.2	Very low	80 Å²	80	136.2 Å²	136.2	83%	0.825	73%	0.733	S	S	*	*	S	Bend	trans	69.8	21.5	154.4	0	0	0	0	0	118.2
738	Q	30.3	Very low	40.5	Very low	188 Å²	188	134.3 Å²	134.3	88%	0.879	73%	0.729	S	S	*	*			trans	-132.5	120.7	166.8	-82.1	-179.6	-20.8	0	0	110.4	N736 A740	N736-Q738 PolarHBondContact O-N 3.26Å; Q738-A740 PolarHBondContact O-N 2.89Å
739	S	27.9	Very low	42.1	Very low	133 Å²	133	132.4 Å²	132.4	93%	0.93	72%	0.717	S	S	*	*			trans	-78.9	98.9	178.2	54.9	0	0	0	0	110.7
740	A	29.6	Very low	43.6	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	71%	0.708	S	S	*	*			trans	-102.5	121.6	166.1	0	0	0	0	0	109.1	Q738 E742	Q738-A740 PolarHBondContact O-N 2.89Å; A740-E742 PolarHBondContact O-N 2.97Å
741	L	33.4	Very low	45.2	Very low	160 Å²	160	128.8 Å²	128.8	84%	0.838	70%	0.7	S	S	*	*			trans	-83.7	95.4	-179.6	-167.7	144.4	0	0	0	108.8
742	E	38.9	Very low	47.2	Very low	150 Å²	150	123.5 Å²	123.5	70%	0.701	68%	0.68	S	S	*	*			trans	-106.9	111.2	-177.2	-161	175.3	-126.8	0	0	110.2	A740 K744	A740-E742 PolarHBondContact O-N 2.97Å; E742-K744 PolarHBondContact O-N 2.97Å
743	E	37.5	Very low	48.9	Very low	141 Å²	141	121.1 Å²	121.1	66%	0.659	67%	0.667	S	S	*	*			trans	-65.6	112.8	175.4	-73.4	-171.6	126.7	0	0	110.2	K727	K727-E743 IonicContact NZ-OE1 3Å; K727-E743 PolarHBondContact NZ-OE1 3.23Å
744	K	49.7	Very low	51	Low	148 Å²	148	122 Å²	122	64%	0.643	66%	0.655	S	S	*	*			trans	-99.5	140.3	170	-69.7	-175.8	-179.8	174.3	0	110.9	E742 D748	E742-K744 PolarHBondContact O-N 2.97Å; K744-D748 HydrophobicContact CB-CB 4.39Å
745	S	60.4	Low	53.5	Low	62 Å²	62	119 Å²	119	43%	0.434	64%	0.639	S	S	.	*			trans	-73	153.6	-175.4	-178.6	0	0	0	0	110.9	V747 D748 V749	S745-V747 PolarHBondContact O-N 2.98Å; S745-V747 PolarHBondContact OG-N 2.75Å; S745-D748 WeakPolarHBondContact CB-OD2 3.49Å; S745-D748 PolarHBondContact N-OD2 3.28Å; S745-D748 WeakPolarHBondContact O-CB 3.44Å; S745-D748 PolarHBondContact O-N 3.11Å; S745-V749 PolarHBondContact O-N 3.33Å
746	L	55.3	Low	55.6	Low	129 Å²	129	112.3 Å²	112.3	68%	0.675	62%	0.617	S	S	*	*	H	α-helix	trans	-52.1	-29.9	169.3	-159.3	96.6	0	0	0	111.6	V749 V750	L746-V749 PolarHBondContact O-N 2.85Å; L746-V750 WeakPolarHBondContact O-CG2 3.33Å; L746-V750 PolarHBondContact O-N 3.3Å; L746-V750 VanDerWaalsContact O-N 3.12Å
747	V	58.7	Low	57.7	Low	80 Å²	80	108.1 Å²	108.1	49%	0.485	60%	0.597	S	S	.	*	H	α-helix	trans	-62	-42	175.2	177.9	0	0	0	0	111.8	S745 V750 Y751	S745-V747 PolarHBondContact O-N 2.98Å; S745-V747 PolarHBondContact OG-N 2.75Å; V747-V750 PolarHBondContact O-N 2.99Å; V747-Y751 HydrophobicContact CG1-CD2 3.75Å; V747-Y751 HydrophobicContact CG1-CE2 3.5Å; V747-Y751 VanDerWaalsContact CG1-CE2 3.5Å; V747-Y751 WeakPolarHBondContact O-CD2 3.32Å; V747-Y751 PolarHBondContact O-N 3.43Å
748	D	64.4	Low	59.6	Low	78 Å²	78	109.6 Å²	109.6	42%	0.417	58%	0.583	S	S	.	*	H	α-helix	trans	-69	-38.1	-178.9	-55.7	-47.2	0	0	0	111.3	K744 S745 V750 Y751 A752	K744-D748 HydrophobicContact CB-CB 4.39Å; S745-D748 WeakPolarHBondContact CB-OD2 3.49Å; S745-D748 PolarHBondContact N-OD2 3.28Å; S745-D748 WeakPolarHBondContact O-CB 3.44Å; S745-D748 PolarHBondContact O-N 3.11Å; D748-V750 VanDerWaalsContact C-N 3.33Å; D748-V750 PolarHBondContact O-N 3.03Å; D748-Y751 PolarHBondContact O-N 3.47Å; D748-A752 WeakPolarHBondContact O-CB 3.28Å; D748-A752 PolarHBondContact O-N 3.06Å
749	V	68.4	Low	62.4	Low	66 Å²	66	107 Å²	107	40%	0.4	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-40.3	173.8	-176.7	0	0	0	0	110.9	S745 L746 A752 L753	S745-V749 PolarHBondContact O-N 3.33Å; L746-V749 PolarHBondContact O-N 2.85Å; V749-A752 PolarHBondContact O-N 3.28Å; V749-L753 HydrophobicContact CG1-CD1 4.13Å; V749-L753 WeakPolarHBondContact O-CB 3.45Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.5Å
750	V	66.3	Low	64.9	Low	87 Å²	87	105.8 Å²	105.8	53%	0.527	55%	0.553	S	S	.	*	H	α-helix	trans	-67.4	-36.1	176	170.3	0	0	0	0	111.9	L746 V747 D748 R754	L746-V750 WeakPolarHBondContact O-CG2 3.33Å; L746-V750 PolarHBondContact O-N 3.3Å; L746-V750 VanDerWaalsContact O-N 3.12Å; V747-V750 PolarHBondContact O-N 2.99Å; D748-V750 VanDerWaalsContact C-N 3.33Å; D748-V750 PolarHBondContact O-N 3.03Å; V750-R754 VanDerWaalsContact O-CB 3.31Å; V750-R754 WeakPolarHBondContact O-CB 3.48Å; V750-R754 PolarHBondContact O-N 3.35Å
751	Y	72.6	Confident	67.6	Low	126 Å²	126	108.5 Å²	108.5	49%	0.494	55%	0.548	S	S	.	.	H	α-helix	trans	-68.5	-43.8	172.6	-79.6	-66.2	0	0	0	112.3	V747 D748 L753 R754 D755	V747-Y751 HydrophobicContact CG1-CD2 3.75Å; V747-Y751 HydrophobicContact CG1-CE2 3.5Å; V747-Y751 VanDerWaalsContact CG1-CE2 3.5Å; V747-Y751 WeakPolarHBondContact O-CD2 3.32Å; V747-Y751 PolarHBondContact O-N 3.43Å; D748-Y751 PolarHBondContact O-N 3.47Å; Y751-L753 PolarHBondContact O-N 3.03Å; Y751-R754 WeakPolarHBondContact O-CB 3.18Å; Y751-R754 PolarHBondContact O-N 3.27Å; Y751-R754 VanDerWaalsContact O-N 3.15Å; Y751-D755 PolarHBondContact O-N 3.04Å
752	A	75.3	Confident	70.2	Confident	62 Å²	62	107 Å²	107	51%	0.512	54%	0.537	S	S	.	.	H	α-helix	trans	-58.9	-46.5	175.6	0	0	0	0	0	112.3	D748 V749 R754 D755 E756	D748-A752 WeakPolarHBondContact O-CB 3.28Å; D748-A752 PolarHBondContact O-N 3.06Å; V749-A752 PolarHBondContact O-N 3.28Å; A752-R754 VanDerWaalsContact C-N 3.32Å; A752-R754 PolarHBondContact O-N 3.35Å; A752-D755 PolarHBondContact O-N 3.12Å; A752-E756 PolarHBondContact O-N 3.03Å
753	L	71.4	Confident	72.5	Confident	94 Å²	94	103.7 Å²	103.7	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-34.6	175.5	-74.3	169.6	0	0	0	112.7	V749 Y751 V757	V749-L753 HydrophobicContact CG1-CD1 4.13Å; V749-L753 WeakPolarHBondContact O-CB 3.45Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.5Å; Y751-L753 PolarHBondContact O-N 3.03Å; L753-V757 WeakPolarHBondContact O-CB 3.32Å; L753-V757 WeakPolarHBondContact O-CG2 3.23Å; L753-V757 PolarHBondContact O-N 2.83Å
754	R	79.9	Confident	74.5	Confident	143 Å²	143	102.2 Å²	102.2	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-42	175.3	178.7	-174.4	177.1	-142.2	-1.1	111.3	V750 Y751 A752 V757 Q758	V750-R754 VanDerWaalsContact O-CB 3.31Å; V750-R754 WeakPolarHBondContact O-CB 3.48Å; V750-R754 PolarHBondContact O-N 3.35Å; Y751-R754 WeakPolarHBondContact O-CB 3.18Å; Y751-R754 PolarHBondContact O-N 3.27Å; Y751-R754 VanDerWaalsContact O-N 3.15Å; A752-R754 VanDerWaalsContact C-N 3.32Å; A752-R754 PolarHBondContact O-N 3.35Å; R754-V757 PolarHBondContact O-N 3.32Å; R754-Q758 PolarHBondContact O-N 3.09Å
755	D	83.9	Confident	76.5	Confident	89 Å²	89	101 Å²	101	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-71.6	-42.3	-178.6	-68.6	-6.7	0	0	0	110.9	Y751 A752 V757 Q758 E759	Y751-D755 PolarHBondContact O-N 3.04Å; A752-D755 PolarHBondContact O-N 3.12Å; D755-V757 VanDerWaalsContact C-N 3.31Å; D755-V757 PolarHBondContact O-N 2.82Å; D755-Q758 WeakPolarHBondContact O-CA 3.38Å; D755-Q758 WeakPolarHBondContact O-CB 3.48Å; D755-Q758 PolarHBondContact O-N 3.08Å; D755-E759 PolarHBondContact O-N 3.26Å
756	E	83.2	Confident	77.9	Confident	92 Å²	92	105 Å²	105	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-59.2	-40.5	172.1	-166.9	-175.4	-174.9	0	0	111.5	A752 Q758 E759 L760	A752-E756 PolarHBondContact O-N 3.03Å; E756-Q758 VanDerWaalsContact C-N 3.33Å; E756-Q758 PolarHBondContact O-N 2.96Å; E756-E759 PolarHBondContact O-N 3.33Å; E756-L760 HydrophobicContact CG-CD1 4.39Å; E756-L760 WeakPolarHBondContact O-CB 3.47Å; E756-L760 WeakPolarHBondContact O-CG 3.43Å; E756-L760 PolarHBondContact O-N 2.97Å
757	V	82	Confident	79.2	Confident	71 Å²	71	105.3 Å²	105.3	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-68.3	-28.5	173.8	168.4	0	0	0	0	112.7	L753 R754 D755 K761	L753-V757 WeakPolarHBondContact O-CB 3.32Å; L753-V757 WeakPolarHBondContact O-CG2 3.23Å; L753-V757 PolarHBondContact O-N 2.83Å; R754-V757 PolarHBondContact O-N 3.32Å; D755-V757 VanDerWaalsContact C-N 3.31Å; D755-V757 PolarHBondContact O-N 2.82Å; V757-K761 WeakPolarHBondContact O-CB 3.35Å; V757-K761 WeakPolarHBondContact O-CG 3.39Å; V757-K761 PolarHBondContact O-N 3.46Å
758	Q	83.1	Confident	80.6	Confident	111 Å²	111	107.4 Å²	107.4	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-72.6	-41.3	171.2	-76.6	-163.4	-87.7	0	0	111.9	R754 D755 E756 K761 Q762	R754-Q758 PolarHBondContact O-N 3.09Å; D755-Q758 WeakPolarHBondContact O-CA 3.38Å; D755-Q758 WeakPolarHBondContact O-CB 3.48Å; D755-Q758 PolarHBondContact O-N 3.08Å; E756-Q758 VanDerWaalsContact C-N 3.33Å; E756-Q758 PolarHBondContact O-N 2.96Å; Q758-K761 PolarHBondContact O-N 3.35Å; Q758-Q762 PolarHBondContact O-N 3Å
759	E	87.8	Confident	81.8	Confident	134 Å²	134	110.7 Å²	110.7	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-63.4	-48	176.5	-171.4	167.7	-156.6	0	0	111.3	D755 E756 K761 Q762 D763	D755-E759 PolarHBondContact O-N 3.26Å; E756-E759 PolarHBondContact O-N 3.33Å; E759-K761 VanDerWaalsContact C-N 3.25Å; E759-K761 PolarHBondContact O-N 3.35Å; E759-Q762 WeakPolarHBondContact O-CA 3.21Å; E759-Q762 VanDerWaalsContact O-CB 3.3Å; E759-Q762 WeakPolarHBondContact O-CB 3.31Å; E759-Q762 PolarHBondContact O-N 3.25Å; E759-D763 PolarHBondContact O-N 2.94Å
760	L	81.4	Confident	82.8	Confident	107 Å²	107	111 Å²	111	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-58.8	-34.4	174.7	-72.4	170.9	0	0	0	112.9	E756 N764	E756-L760 HydrophobicContact CG-CD1 4.39Å; E756-L760 WeakPolarHBondContact O-CB 3.47Å; E756-L760 WeakPolarHBondContact O-CG 3.43Å; E756-L760 PolarHBondContact O-N 2.97Å; L760-N764 VanDerWaalsContact O-CB 3.29Å; L760-N764 WeakPolarHBondContact O-CB 3.42Å; L760-N764 PolarHBondContact O-N 3.12Å
761	K	85.3	Confident	83.8	Confident	148 Å²	148	111.1 Å²	111.1	64%	0.643	54%	0.536	S	S	*	.	H	α-helix	trans	-69.8	-37.1	172.6	-81.5	175.2	177.6	173.8	0	112.6	V757 Q758 E759 K765	V757-K761 WeakPolarHBondContact O-CB 3.35Å; V757-K761 WeakPolarHBondContact O-CG 3.39Å; V757-K761 PolarHBondContact O-N 3.46Å; Q758-K761 PolarHBondContact O-N 3.35Å; E759-K761 VanDerWaalsContact C-N 3.25Å; E759-K761 PolarHBondContact O-N 3.35Å; K761-K765 WeakPolarHBondContact O-CB 3.17Å; K761-K765 PolarHBondContact O-N 2.94Å; K761-K765 VanDerWaalsContact O-N 3.11Å
762	Q	89.5	Confident	84.6	Confident	129 Å²	129	109.9 Å²	109.9	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-44.6	175.9	-170.5	80.4	-24.3	0	0	110.7	Q758 E759 K765 K766	Q758-Q762 PolarHBondContact O-N 3Å; E759-Q762 WeakPolarHBondContact O-CA 3.21Å; E759-Q762 VanDerWaalsContact O-CB 3.3Å; E759-Q762 WeakPolarHBondContact O-CB 3.31Å; E759-Q762 PolarHBondContact O-N 3.25Å; Q762-K765 WeakPolarHBondContact O-CB 3.47Å; Q762-K765 PolarHBondContact O-N 3.46Å; Q762-K766 PolarHBondContact O-N 3.04Å
763	D	86.9	Confident	85.3	Confident	81 Å²	81	113 Å²	113	43%	0.433	54%	0.539	S	S	.	.	H	α-helix	trans	-69	-40.5	178.1	-93.3	-4.7	0	0	0	112.9	E759 K765 K766 M767	E759-D763 PolarHBondContact O-N 2.94Å; D763-K765 VanDerWaalsContact C-N 3.27Å; D763-K765 PolarHBondContact O-N 3.23Å; D763-K766 WeakPolarHBondContact O-CB 3.33Å; D763-K766 PolarHBondContact O-N 3.24Å; D763-K766 VanDerWaalsContact O-N 3.12Å; D763-M767 WeakPolarHBondContact O-CB 3.41Å; D763-M767 PolarHBondContact O-N 2.77Å
764	N	79.7	Confident	86.3	Confident	110 Å²	110	112.8 Å²	112.8	59%	0.588	54%	0.535	S	S	*	.	H	α-helix	trans	-60	-39.9	173.4	-159.9	-66.8	0	0	0	111.3	L760 M767 K768	L760-N764 VanDerWaalsContact O-CB 3.29Å; L760-N764 WeakPolarHBondContact O-CB 3.42Å; L760-N764 PolarHBondContact O-N 3.12Å; N764-M767 PolarHBondContact O-N 3.1Å; N764-K768 WeakPolarHBondContact O-CB 3.31Å; N764-K768 PolarHBondContact O-N 3.45Å
765	K	91.2	Very high	86.5	Confident	121 Å²	121	110.4 Å²	110.4	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-65.6	-36.6	174.3	-174.1	178.9	-178	179.3	0	112.8	K761 Q762 D763 R769	K761-K765 WeakPolarHBondContact O-CB 3.17Å; K761-K765 PolarHBondContact O-N 2.94Å; K761-K765 VanDerWaalsContact O-N 3.11Å; Q762-K765 WeakPolarHBondContact O-CB 3.47Å; Q762-K765 PolarHBondContact O-N 3.46Å; D763-K765 VanDerWaalsContact C-N 3.27Å; D763-K765 PolarHBondContact O-N 3.23Å; K765-R769 PolarHBondContact O-N 2.98Å
766	K	89.4	Confident	86.9	Confident	148 Å²	148	114.2 Å²	114.2	64%	0.643	54%	0.538	S	S	*	.	H	α-helix	trans	-68.6	-46.7	174.9	-174.7	-178	177.3	-173.7	0	111.3	Q762 D763 K768 R769 S770	Q762-K766 PolarHBondContact O-N 3.04Å; D763-K766 WeakPolarHBondContact O-CB 3.33Å; D763-K766 PolarHBondContact O-N 3.24Å; D763-K766 VanDerWaalsContact O-N 3.12Å; K766-K768 VanDerWaalsContact C-N 3.33Å; K766-K768 PolarHBondContact O-N 3.16Å; K766-R769 PolarHBondContact O-N 3.04Å; K766-S770 PolarHBondContact O-N 3.09Å; K766-S770 VanDerWaalsContact O-N 3.1Å
767	M	82.1	Confident	87.2	Confident	134 Å²	134	112.8 Å²	112.8	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-60.9	-40.8	177.7	-162.8	-175.9	-58.4	0	0	111.6	D763 N764 R769 S770 L771	D763-M767 WeakPolarHBondContact O-CB 3.41Å; D763-M767 PolarHBondContact O-N 2.77Å; N764-M767 PolarHBondContact O-N 3.1Å; M767-R769 PolarHBondContact O-N 3.43Å; M767-S770 WeakPolarHBondContact O-CB 3.42Å; M767-S770 PolarHBondContact O-N 3.2Å; M767-L771 PolarHBondContact O-N 2.95Å
768	K	88.9	Confident	87.6	Confident	125 Å²	125	117.3 Å²	117.3	54%	0.543	55%	0.551	S	S	.	*	H	α-helix	trans	-60.7	-41.7	174.7	-172.5	175.2	178.6	-179.1	0	113	N764 K766 L771 E772	N764-K768 WeakPolarHBondContact O-CB 3.31Å; N764-K768 PolarHBondContact O-N 3.45Å; K766-K768 VanDerWaalsContact C-N 3.33Å; K766-K768 PolarHBondContact O-N 3.16Å; K768-L771 PolarHBondContact O-N 3.43Å; K768-E772 WeakPolarHBondContact CE-OE1 3.48Å; K768-E772 WeakPolarHBondContact O-CG 3.48Å; K768-E772 PolarHBondContact O-N 3.11Å
769	R	90.5	Very high	87.9	Confident	146 Å²	146	118.8 Å²	118.8	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-63	-44.6	174	-69.6	-178.3	-170.5	165.5	-0	111.9	K765 K766 M767 L771 E772 E773	K765-R769 PolarHBondContact O-N 2.98Å; K766-R769 PolarHBondContact O-N 3.04Å; M767-R769 PolarHBondContact O-N 3.43Å; R769-L771 PolarHBondContact O-N 2.88Å; R769-E772 PolarHBondContact O-N 3.03Å; R769-E772 VanDerWaalsContact O-N 3.11Å; R769-E773 WeakPolarHBondContact O-CG 3.45Å; R769-E773 PolarHBondContact O-N 3.32Å
770	S	88.3	Confident	88	Confident	72 Å²	72	115.6 Å²	115.6	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-58.8	-38.5	177.9	-165.6	0	0	0	0	111.8	K766 M767 E774	K766-S770 PolarHBondContact O-N 3.09Å; K766-S770 VanDerWaalsContact O-N 3.1Å; M767-S770 WeakPolarHBondContact O-CB 3.42Å; M767-S770 PolarHBondContact O-N 3.2Å; S770-E774 WeakPolarHBondContact O-CB 3.36Å; S770-E774 PolarHBondContact O-N 2.92Å
771	L	87.1	Confident	88.2	Confident	90 Å²	90	115.8 Å²	115.8	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-67.9	-41.4	174.8	-177.1	65.4	0	0	0	112.3	M767 K768 R769 E773 E774 Q775	M767-L771 PolarHBondContact O-N 2.95Å; K768-L771 PolarHBondContact O-N 3.43Å; R769-L771 PolarHBondContact O-N 2.88Å; L771-E773 VanDerWaalsContact C-N 3.34Å; L771-E774 PolarHBondContact O-N 3.42Å; L771-Q775 WeakPolarHBondContact O-CB 3.31Å; L771-Q775 VanDerWaalsContact O-CG 3.24Å; L771-Q775 WeakPolarHBondContact O-CG 3.41Å; L771-Q775 PolarHBondContact O-N 2.88Å
772	E	89.7	Confident	88.3	Confident	101 Å²	101	113 Å²	113	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-36.1	175.9	-73.4	171.6	-168.5	0	0	112.2	K768 R769 R776	K768-E772 WeakPolarHBondContact CE-OE1 3.48Å; K768-E772 WeakPolarHBondContact O-CG 3.48Å; K768-E772 PolarHBondContact O-N 3.11Å; R769-E772 PolarHBondContact O-N 3.03Å; R769-E772 VanDerWaalsContact O-N 3.11Å; E772-R776 WeakPolarHBondContact O-CB 3.35Å; E772-R776 PolarHBondContact O-N 3.36Å
773	E	90.9	Very high	88.2	Confident	128 Å²	128	112.4 Å²	112.4	60%	0.598	52%	0.524	S	S	*	.	H	α-helix	trans	-68.4	-45.3	173.4	-74.6	171.4	-170.7	0	0	111.7	R769 L771 Q775 R776 A777	R769-E773 WeakPolarHBondContact O-CG 3.45Å; R769-E773 PolarHBondContact O-N 3.32Å; L771-E773 VanDerWaalsContact C-N 3.34Å; E773-Q775 PolarHBondContact O-N 3.36Å; E773-R776 WeakPolarHBondContact O-CB 3.24Å; E773-R776 PolarHBondContact O-N 2.65Å; E773-R776 VanDerWaalsContact O-N 3.13Å; E773-A777 PolarHBondContact O-N 2.91Å
774	E	91.1	Very high	88.3	Confident	88 Å²	88	111.7 Å²	111.7	41%	0.411	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.2	-162	-163	152.2	0	0	111.7	S770 L771 R776 A777 R778	S770-E774 WeakPolarHBondContact O-CB 3.36Å; S770-E774 PolarHBondContact O-N 2.92Å; L771-E774 PolarHBondContact O-N 3.42Å; E774-R776 VanDerWaalsContact C-N 3.27Å; E774-R776 PolarHBondContact O-N 3.13Å; E774-A777 PolarHBondContact O-N 3.46Å; E774-R778 WeakPolarHBondContact O-CG 3.42Å; E774-R778 PolarHBondContact O-N 3.08Å; E774-R778 IonicContact OE1-CZ 3.16Å; E774-R778 IonicContact OE1-NE 3.02Å; E774-R778 PolarHBondContact OE1-NE 2.92Å; E774-R778 IonicContact OE1-NH2 2.64Å; E774-R778 PolarHBondContact OE1-NH2 3.49Å
775	Q	85.1	Confident	88.5	Confident	94 Å²	94	110 Å²	110	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-66.1	-26.5	174.8	-73.6	178.4	6.3	0	0	113.2	L771 E773 R779	L771-Q775 WeakPolarHBondContact O-CB 3.31Å; L771-Q775 VanDerWaalsContact O-CG 3.24Å; L771-Q775 WeakPolarHBondContact O-CG 3.41Å; L771-Q775 PolarHBondContact O-N 2.88Å; E773-Q775 PolarHBondContact O-N 3.36Å; Q775-R779 WeakPolarHBondContact O-CG 3.4Å; Q775-R779 PolarHBondContact O-N 3.47Å; Q775-R779 PolarHBondContact O-NE 2.86Å
776	R	90.9	Very high	88.1	Confident	169 Å²	169	112.2 Å²	112.2	64%	0.638	52%	0.521	S	S	*	.	H	α-helix	trans	-72	-50.6	170.1	-175.3	-174.6	-63.4	-120.5	2.2	110.1	E772 E773 E774 R778 R779 D780	E772-R776 WeakPolarHBondContact O-CB 3.35Å; E772-R776 PolarHBondContact O-N 3.36Å; E773-R776 WeakPolarHBondContact O-CB 3.24Å; E773-R776 PolarHBondContact O-N 2.65Å; E773-R776 VanDerWaalsContact O-N 3.13Å; E774-R776 VanDerWaalsContact C-N 3.27Å; E774-R776 PolarHBondContact O-N 3.13Å; R776-R778 VanDerWaalsContact C-N 3.34Å; R776-R778 PolarHBondContact O-N 3.02Å; R776-R779 PolarHBondContact O-N 2.85Å; R776-R779 VanDerWaalsContact O-N 3.08Å; R776-D780 PolarHBondContact O-N 3.29Å
777	A	90.7	Very high	87.7	Confident	61 Å²	61	113.1 Å²	113.1	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-57.1	-43.9	178.9	0	0	0	0	0	112.4	E773 E774 R779 D780 L781	E773-A777 PolarHBondContact O-N 2.91Å; E774-A777 PolarHBondContact O-N 3.46Å; A777-R779 PolarHBondContact O-N 3.25Å; A777-D780 PolarHBondContact O-N 3.37Å; A777-L781 WeakPolarHBondContact O-CB 3.47Å; A777-L781 PolarHBondContact O-N 2.93Å
778	R	89.1	Confident	87.6	Confident	167 Å²	167	110 Å²	110	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-42.2	174.6	-72.1	-177.1	-174.2	-154.3	4.2	112.6	E774 R776 L781 E782	E774-R778 WeakPolarHBondContact O-CG 3.42Å; E774-R778 PolarHBondContact O-N 3.08Å; E774-R778 IonicContact OE1-CZ 3.16Å; E774-R778 IonicContact OE1-NE 3.02Å; E774-R778 PolarHBondContact OE1-NE 2.92Å; E774-R778 IonicContact OE1-NH2 2.64Å; E774-R778 PolarHBondContact OE1-NH2 3.49Å; R776-R778 VanDerWaalsContact C-N 3.34Å; R776-R778 PolarHBondContact O-N 3.02Å; R778-L781 PolarHBondContact O-N 2.94Å; R778-E782 WeakPolarHBondContact O-CB 3.42Å; R778-E782 PolarHBondContact O-N 3.42Å
779	R	89.7	Confident	86.8	Confident	141 Å²	141	109 Å²	109	53%	0.532	51%	0.509	S	S	.	.	H	α-helix	trans	-68.5	-34.8	176.9	-78.3	-179.3	-73	-171.7	-4	112.8	Q775 R776 A777 K783	Q775-R779 WeakPolarHBondContact O-CG 3.4Å; Q775-R779 PolarHBondContact O-N 3.47Å; Q775-R779 PolarHBondContact O-NE 2.86Å; R776-R779 PolarHBondContact O-N 2.85Å; R776-R779 VanDerWaalsContact O-N 3.08Å; A777-R779 PolarHBondContact O-N 3.25Å; R779-K783 WeakPolarHBondContact O-CG 3.43Å; R779-K783 PolarHBondContact O-N 3.41Å; R779-K783 VanDerWaalsContact O-N 3.11Å
780	D	89.6	Confident	86.1	Confident	67 Å²	67	110 Å²	110	36%	0.358	52%	0.517	S	S	.	.	H	α-helix	trans	-75.3	-36.3	176.5	-69.3	-31.9	0	0	0	111.8	R776 A777 E782 K783 V784	R776-D780 PolarHBondContact O-N 3.29Å; A777-D780 PolarHBondContact O-N 3.37Å; D780-E782 VanDerWaalsContact C-N 3.34Å; D780-K783 PolarHBondContact O-N 3.26Å; D780-K783 WeakPolarHBondContact OD1-CE 3.33Å; D780-K783 IonicContact OD1-NZ 3.46Å; D780-K783 PolarHBondContact OD1-NZ 3.11Å; D780-V784 WeakPolarHBondContact O-CG2 3.38Å; D780-V784 PolarHBondContact O-N 3.09Å
781	L	87.1	Confident	85	Confident	112 Å²	112	108.4 Å²	108.4	59%	0.586	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-43.8	168.3	-174.8	66.8	0	0	0	111.2	A777 R778 K783 V784 V785	A777-L781 WeakPolarHBondContact O-CB 3.47Å; A777-L781 PolarHBondContact O-N 2.93Å; R778-L781 PolarHBondContact O-N 2.94Å; L781-K783 VanDerWaalsContact C-N 3.34Å; L781-K783 PolarHBondContact O-N 2.64Å; L781-V784 WeakPolarHBondContact O-CB 3.49Å; L781-V784 PolarHBondContact O-N 2.84Å; L781-V784 VanDerWaalsContact O-N 3.08Å; L781-V785 HydrophobicContact CG-CG2 4.46Å; L781-V785 WeakPolarHBondContact O-CG2 3.31Å; L781-V785 PolarHBondContact O-N 2.68Å
782	E	86.3	Confident	83.9	Confident	89 Å²	89	109.1 Å²	109.1	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-40.9	175.7	-164.8	-168.3	164.7	0	0	112.1	R778 D780 V784 V785 R786	R778-E782 WeakPolarHBondContact O-CB 3.42Å; R778-E782 PolarHBondContact O-N 3.42Å; D780-E782 VanDerWaalsContact C-N 3.34Å; E782-V784 VanDerWaalsContact C-N 3.33Å; E782-V784 PolarHBondContact O-N 3.01Å; E782-V785 PolarHBondContact O-N 2.86Å; E782-R786 WeakPolarHBondContact O-CB 3.37Å; E782-R786 VanDerWaalsContact O-CG 3.31Å; E782-R786 WeakPolarHBondContact O-CG 3.48Å; E782-R786 PolarHBondContact O-N 3.39Å; E782-R786 IonicContact OE1-CZ 2.64Å; E782-R786 IonicContact OE1-NE 3.2Å; E782-R786 PolarHBondContact OE1-NE 3.44Å; E782-R786 VanDerWaalsContact OE1-NE 3.09Å; E782-R786 IonicContact OE1-NH2 2.68Å; E782-R786 PolarHBondContact OE1-NH2 3.08Å
783	K	89.1	Confident	82.4	Confident	117 Å²	117	111.1 Å²	111.1	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-31.2	173.3	-67	167.3	-161.4	164	0	113.1	R779 D780 L781 R787	R779-K783 WeakPolarHBondContact O-CG 3.43Å; R779-K783 PolarHBondContact O-N 3.41Å; R779-K783 VanDerWaalsContact O-N 3.11Å; D780-K783 PolarHBondContact O-N 3.26Å; D780-K783 WeakPolarHBondContact OD1-CE 3.33Å; D780-K783 IonicContact OD1-NZ 3.46Å; D780-K783 PolarHBondContact OD1-NZ 3.11Å; L781-K783 VanDerWaalsContact C-N 3.34Å; L781-K783 PolarHBondContact O-N 2.64Å; K783-R787 WeakPolarHBondContact O-CB 3.45Å; K783-R787 WeakPolarHBondContact O-CG 3.47Å; K783-R787 PolarHBondContact O-N 2.88Å; K783-R787 PolarHBondContact O-NE 3.3Å
784	V	88.8	Confident	80.7	Confident	65 Å²	65	110 Å²	110	39%	0.394	52%	0.521	S	S	.	.	H	α-helix	trans	-71.6	-50.2	174	171.7	0	0	0	0	109.6	D780 L781 E782 R786 R787 V788	D780-V784 WeakPolarHBondContact O-CG2 3.38Å; D780-V784 PolarHBondContact O-N 3.09Å; L781-V784 WeakPolarHBondContact O-CB 3.49Å; L781-V784 PolarHBondContact O-N 2.84Å; L781-V784 VanDerWaalsContact O-N 3.08Å; E782-V784 VanDerWaalsContact C-N 3.33Å; E782-V784 PolarHBondContact O-N 3.01Å; V784-R786 PolarHBondContact O-N 3.47Å; V784-R787 WeakPolarHBondContact O-CA 3.3Å; V784-R787 WeakPolarHBondContact O-CB 3.49Å; V784-R787 PolarHBondContact O-N 3Å; V784-V788 HydrophobicContact CG1-CG2 4.46Å; V784-V788 WeakPolarHBondContact O-CG2 3.43Å; V784-V788 PolarHBondContact O-N 2.92Å
785	V	84.1	Confident	78.9	Confident	75 Å²	75	112.3 Å²	112.3	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-57.8	-45.2	177.5	170.1	0	0	0	0	111.4	L781 E782 R787 V788 L789	L781-V785 HydrophobicContact CG-CG2 4.46Å; L781-V785 WeakPolarHBondContact O-CG2 3.31Å; L781-V785 PolarHBondContact O-N 2.68Å; E782-V785 PolarHBondContact O-N 2.86Å; V785-R787 VanDerWaalsContact C-N 3.31Å; V785-R787 PolarHBondContact O-N 2.93Å; V785-V788 PolarHBondContact O-N 2.95Å; V785-L789 HydrophobicContact CG1-CD1 3.82Å; V785-L789 WeakPolarHBondContact O-CB 3.49Å; V785-L789 PolarHBondContact O-N 3.2Å
786	R	81.3	Confident	77.6	Confident	167 Å²	167	111.8 Å²	111.8	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-63.4	-31.4	174.2	-72.7	-178.6	-172.9	-152	3.8	113.3	E782 V784 K790	E782-R786 WeakPolarHBondContact O-CB 3.37Å; E782-R786 VanDerWaalsContact O-CG 3.31Å; E782-R786 WeakPolarHBondContact O-CG 3.48Å; E782-R786 PolarHBondContact O-N 3.39Å; E782-R786 IonicContact OE1-CZ 2.64Å; E782-R786 IonicContact OE1-NE 3.2Å; E782-R786 PolarHBondContact OE1-NE 3.44Å; E782-R786 VanDerWaalsContact OE1-NE 3.09Å; E782-R786 IonicContact OE1-NH2 2.68Å; E782-R786 PolarHBondContact OE1-NH2 3.08Å; V784-R786 PolarHBondContact O-N 3.47Å; R786-K790 WeakPolarHBondContact O-CB 3.39Å; R786-K790 PolarHBondContact O-N 3.18Å
787	R	80.9	Confident	75.8	Confident	167 Å²	167	112 Å²	112	63%	0.63	56%	0.557	S	S	*	*	H	α-helix	trans	-71.8	-43.4	173.8	-83.9	-177.2	-71.4	168.8	-1.6	111.8	K783 V784 V785 K790 S791	K783-R787 WeakPolarHBondContact O-CB 3.45Å; K783-R787 WeakPolarHBondContact O-CG 3.47Å; K783-R787 PolarHBondContact O-N 2.88Å; K783-R787 PolarHBondContact O-NE 3.3Å; V784-R787 WeakPolarHBondContact O-CA 3.3Å; V784-R787 WeakPolarHBondContact O-CB 3.49Å; V784-R787 PolarHBondContact O-N 3Å; V785-R787 VanDerWaalsContact C-N 3.31Å; V785-R787 PolarHBondContact O-N 2.93Å; R787-K790 PolarHBondContact O-N 3.2Å; R787-K790 VanDerWaalsContact O-N 3.13Å; R787-S791 PolarHBondContact O-N 3.25Å
788	V	80.1	Confident	73.6	Confident	68 Å²	68	115.8 Å²	115.8	41%	0.412	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-44.4	176.7	175	0	0	0	0	111.2	V784 V785 K790 S791 I792	V784-V788 HydrophobicContact CG1-CG2 4.46Å; V784-V788 WeakPolarHBondContact O-CG2 3.43Å; V784-V788 PolarHBondContact O-N 2.92Å; V785-V788 PolarHBondContact O-N 2.95Å; V788-K790 PolarHBondContact O-N 3.13Å; V788-S791 PolarHBondContact O-N 3.38Å; V788-S791 PolarHBondContact O-OG 3Å; V788-I792 HydrophobicContact CG1-CD1 3.97Å; V788-I792 HydrophobicContact CG1-CG1 4.49Å; V788-I792 VanDerWaalsContact O-CG1 3.3Å; V788-I792 WeakPolarHBondContact O-CG1 3.35Å; V788-I792 PolarHBondContact O-N 3.23Å
789	L	72.4	Confident	71.8	Confident	106 Å²	106	117.2 Å²	117.2	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-60.2	-30	172.3	-90.4	151.3	0	0	0	112.9	V785 N793	V785-L789 HydrophobicContact CG1-CD1 3.82Å; V785-L789 WeakPolarHBondContact O-CB 3.49Å; V785-L789 PolarHBondContact O-N 3.2Å; L789-N793 PolarHBondContact O-N 3.42Å
790	K	75.5	Confident	69.8	Low	165 Å²	165	115.7 Å²	115.7	72%	0.717	59%	0.589	S	S	*	*	H	α-helix	trans	-79	-32.1	176.7	-161.8	175.1	-176.8	-174.6	0	112.8	R786 R787 V788 N793	R786-K790 WeakPolarHBondContact O-CB 3.39Å; R786-K790 PolarHBondContact O-N 3.18Å; R787-K790 PolarHBondContact O-N 3.2Å; R787-K790 VanDerWaalsContact O-N 3.13Å; V788-K790 PolarHBondContact O-N 3.13Å; K790-N793 PolarHBondContact O-N 3.49Å
791	S	65.7	Low	67.8	Low	40 Å²	40	120.4 Å²	120.4	28%	0.28	62%	0.615	S	S	.	*	H	α-helix	trans	-75.2	-32.2	172.6	64.2	0	0	0	0	112.7	R787 V788 N793 D794 W797	R787-S791 PolarHBondContact O-N 3.25Å; V788-S791 PolarHBondContact O-N 3.38Å; V788-S791 PolarHBondContact O-OG 3Å; S791-N793 PolarHBondContact O-N 3.27Å; S791-D794 PolarHBondContact O-N 3.37Å; S791-W797 WeakPolarHBondContact OG-CH2 3.44Å; S791-W797 WeakPolarHBondContact OG-CZ3 3.42Å
792	I	64.3	Low	65.6	Low	104 Å²	104	126.8 Å²	126.8	53%	0.533	65%	0.648	S	S	.	*	H	α-helix	trans	-61.9	-30.9	171.1	-71.8	171.9	0	0	0	112	V788 W797	V788-I792 HydrophobicContact CG1-CD1 3.97Å; V788-I792 HydrophobicContact CG1-CG1 4.49Å; V788-I792 VanDerWaalsContact O-CG1 3.3Å; V788-I792 WeakPolarHBondContact O-CG1 3.35Å; V788-I792 PolarHBondContact O-N 3.23Å; I792-W797 HydrophobicContact CG1-CE3 4.24Å; I792-W797 HydrophobicContact CG1-CZ3 3.66Å
793	N	57.8	Low	64.6	Low	143 Å²	143	128.7 Å²	128.7	77%	0.765	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	5.6	-180	-100.3	20.2	0	0	0	114.2	L789 K790 S791	L789-N793 PolarHBondContact O-N 3.42Å; K790-N793 PolarHBondContact O-N 3.49Å; S791-N793 PolarHBondContact O-N 3.27Å
794	D	55.2	Low	63.3	Low	104 Å²	104	129.3 Å²	129.3	56%	0.556	67%	0.667	S	S	*	*	S	Bend	trans	-94.9	114.5	176.7	-145	-30.7	0	0	0	109	S791 A796 W797	S791-D794 PolarHBondContact O-N 3.37Å; D794-A796 PolarHBondContact O-N 2.94Å; D794-W797 PolarHBondContact O-N 3.06Å
795	P	54.4	Low	61.9	Low	137 Å²	137	132.8 Å²	132.8	89%	0.89	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	16.4	-167.2	30.4	-37.5	0	0	0	115.2
796	A	57.3	Low	60.6	Low	84 Å²	84	136.2 Å²	136.2	69%	0.694	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	10.4	177.2	0	0	0	0	0	113.2	D794 D798	D794-A796 PolarHBondContact O-N 2.94Å; A796-D798 PolarHBondContact O-N 3.3Å
797	W	52.6	Low	59.3	Low	174 Å²	174	134.3 Å²	134.3	66%	0.659	70%	0.7	S	S	*	*			trans	-82.4	84.1	178.2	-143.9	16.1	0	0	0	111	S791 I792 D794	S791-W797 WeakPolarHBondContact OG-CH2 3.44Å; S791-W797 WeakPolarHBondContact OG-CZ3 3.42Å; I792-W797 HydrophobicContact CG1-CE3 4.24Å; I792-W797 HydrophobicContact CG1-CZ3 3.66Å; D794-W797 PolarHBondContact O-N 3.06Å
798	D	44.9	Very low	57.8	Low	140 Å²	140	132.1 Å²	132.1	75%	0.749	71%	0.705	S	S	*	*			trans	-56.9	137.5	-176.9	-105.8	-34.9	0	0	0	113.8	A796 T800	A796-D798 PolarHBondContact O-N 3.3Å; D798-T800 PolarHBondContact O-N 2.84Å
799	E	49.9	Very low	56.3	Low	196 Å²	196	136.7 Å²	136.7	92%	0.916	73%	0.726	S	S	*	*	S	Bend	trans	-69.5	85.3	171.4	-67.7	-174.6	140.4	0	0	110.5
800	T	49.4	Very low	55	Low	110 Å²	110	139.1 Å²	139.1	68%	0.675	74%	0.739	S	S	*	*			trans	-149.9	3.6	172	-6.1	0	0	0	0	117	D798	D798-T800 PolarHBondContact O-N 2.84Å
801	N	47.8	Very low	53.3	Low	166 Å²	166	136.9 Å²	136.9	89%	0.888	74%	0.741	S	S	*	*			trans	-133.8	98.6	174.5	-71.3	-82.1	0	0	0	110.8
802	L	40.4	Very low	52.2	Low	245 Å²	245	145.7 Å²	145.7	100%	1.283	78%	0.782	S	S	*	*			trans	-126.8	0	170.9	-136.2	171.3	0	0	0	107.8

Retrieved 802 of 802 residues in 645.5 ms (Link to these results)

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