A0A060X8Q3_ONCMY Loading...

Metaxin-2

Involved in transport of proteins into the mitochondrion.

AlphaFold DB , UniProt , Accession A0A060X8Q3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mtx2, Length 273 aa.

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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	47.6	Very low	49.1	Very low	206 Å²	206	97.6 Å²	97.6	100%	1.015	56%	0.555	S	S	*	*				0	153.5	0	-75.4	-162	-81.9	0	0	108.4
2	S	44.8	Very low	49.4	Very low	79 Å²	79	97.3 Å²	97.3	55%	0.552	55%	0.549	S	S	*	.			trans	-77.2	143.8	-178.8	170.5	0	0	0	0	110.8	A4 A5 E6	S2-A4 PolarHBondContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 3.47Å; S2-A5 WeakPolarHBondContact O-CB 3.49Å; S2-A5 PolarHBondContact O-N 3.43Å; S2-E6 PolarHBondContact O-N 3.12Å
3	L	49.6	Very low	49.8	Very low	143 Å²	143	90 Å²	90	75%	0.749	51%	0.508	S	S	*	.	H	α-helix	trans	-49.1	-28.6	172.7	-74.4	162.3	0	0	0	113	E6 A7	L3-E6 PolarHBondContact O-N 3.37Å; L3-A7 WeakPolarHBondContact O-CB 3.41Å; L3-A7 PolarHBondContact O-N 3.31Å
4	A	40.7	Very low	50.3	Low	68 Å²	68	87.9 Å²	87.9	56%	0.562	51%	0.508	S	S	*	.	H	α-helix	trans	-69.9	-34.1	176.9	0	0	0	0	0	113.3	S2 F8	S2-A4 PolarHBondContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 3.47Å; A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 3.2Å; A4-F8 VanDerWaalsContact O-N 3.16Å
5	A	48	Very low	50.9	Low	45 Å²	45	88.1 Å²	88.1	37%	0.372	52%	0.524	S	S	.	.	H	α-helix	trans	-70.9	-37.8	176	0	0	0	0	0	110.9	S2 F8 V9	S2-A5 WeakPolarHBondContact O-CB 3.49Å; S2-A5 PolarHBondContact O-N 3.43Å; A5-F8 PolarHBondContact O-N 3.32Å; A5-V9 WeakPolarHBondContact O-CG2 3.41Å; A5-V9 PolarHBondContact O-N 3.34Å; A5-V9 VanDerWaalsContact O-N 3.12Å
6	E	51.7	Low	52.2	Low	79 Å²	79	90.7 Å²	90.7	37%	0.369	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-42.4	176.3	-64.7	175.5	170	0	0	111.6	S2 L3 F8 S10	S2-E6 PolarHBondContact O-N 3.12Å; L3-E6 PolarHBondContact O-N 3.37Å; E6-F8 PolarHBondContact O-N 3.42Å; E6-S10 WeakPolarHBondContact O-CB 3.46Å; E6-S10 PolarHBondContact O-N 2.87Å; E6-S10 VanDerWaalsContact O-N 3.13Å
7	A	51.3	Low	54	Low	53 Å²	53	91.9 Å²	91.9	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-37.2	176.4	0	0	0	0	0	113.1	L3 S10 Q11	L3-A7 WeakPolarHBondContact O-CB 3.41Å; L3-A7 PolarHBondContact O-N 3.31Å; A7-S10 PolarHBondContact O-N 2.84Å; A7-Q11 PolarHBondContact O-N 3.34Å
8	F	47.6	Very low	56.1	Low	131 Å²	131	88.1 Å²	88.1	58%	0.575	52%	0.515	S	S	*	.	H	α-helix	trans	-71.8	-41.8	-179.6	-173	-103.9	0	0	0	112.6	A4 A5 E6 S10 Q11 I12	A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 3.2Å; A4-F8 VanDerWaalsContact O-N 3.16Å; A5-F8 PolarHBondContact O-N 3.32Å; E6-F8 PolarHBondContact O-N 3.42Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.49Å; F8-Q11 PolarHBondContact O-N 3.12Å; F8-I12 HydrophobicContact CD1-CD1 4.01Å; F8-I12 HydrophobicContact CE1-CD1 3.41Å; F8-I12 VanDerWaalsContact CE1-CD1 3.41Å; F8-I12 HydrophobicContact CE2-CD1 4.21Å; F8-I12 HydrophobicContact CZ-CD1 3.54Å; F8-I12 PolarHBondContact O-N 3.43Å
9	V	54	Low	57.8	Low	58 Å²	58	85.2 Å²	85.2	35%	0.352	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-38	174	172.7	0	0	0	0	110.9	A5 Q11 A13	A5-V9 WeakPolarHBondContact O-CG2 3.41Å; A5-V9 PolarHBondContact O-N 3.34Å; A5-V9 VanDerWaalsContact O-N 3.12Å; V9-Q11 PolarHBondContact O-N 3.01Å; V9-A13 VanDerWaalsContact O-CB 3.31Å; V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 3.5Å; V9-A13 VanDerWaalsContact O-N 3.12Å
10	S	51.9	Low	59.4	Low	57 Å²	57	88.8 Å²	88.8	40%	0.399	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-39.1	177	-175.5	0	0	0	0	113.2	E6 A7 F8	E6-S10 WeakPolarHBondContact O-CB 3.46Å; E6-S10 PolarHBondContact O-N 2.87Å; E6-S10 VanDerWaalsContact O-N 3.13Å; A7-S10 PolarHBondContact O-N 2.84Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.49Å
11	Q	52.8	Low	60.8	Low	155 Å²	155	90.1 Å²	90.1	72%	0.724	52%	0.517	S	S	*	.	H	α-helix	trans	-71.4	-34.7	179.6	-76.4	-178.4	-10.1	0	0	113.7	A7 F8 V9	A7-Q11 PolarHBondContact O-N 3.34Å; F8-Q11 PolarHBondContact O-N 3.12Å; V9-Q11 PolarHBondContact O-N 3.01Å
12	I	52.8	Low	63.1	Low	93 Å²	93	80.3 Å²	80.3	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-79.1	-31.9	179.7	-64.9	175.8	0	0	0	111.5	F8 A14	F8-I12 HydrophobicContact CD1-CD1 4.01Å; F8-I12 HydrophobicContact CE1-CD1 3.41Å; F8-I12 VanDerWaalsContact CE1-CD1 3.41Å; F8-I12 HydrophobicContact CE2-CD1 4.21Å; F8-I12 HydrophobicContact CZ-CD1 3.54Å; F8-I12 PolarHBondContact O-N 3.43Å; I12-A14 VanDerWaalsContact C-N 3.29Å; I12-A14 PolarHBondContact O-N 3.13Å
13	A	54	Low	65.6	Low	3 Å²	3	77.6 Å²	77.6	3%	0.025	45%	0.448	C	S	.	.	H	α-helix	trans	-69.8	-22.6	-178.5	0	0	0	0	0	114.3	V9 A15 F91 K95	V9-A13 VanDerWaalsContact O-CB 3.31Å; V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 3.5Å; V9-A13 VanDerWaalsContact O-N 3.12Å; A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.5Å; A13-F91 HydrophobicContact CB-CD2 3.85Å; A13-F91 HydrophobicContact CB-CE2 3.58Å; A13-K95 WeakPolarHBondContact O-CG 3.31Å; A13-K95 PolarHBondContact O-NZ 3.06Å
14	A	56.9	Low	67.9	Low	61 Å²	61	70.8 Å²	70.8	50%	0.504	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.7	-170.2	0	0	0	0	0	115.4	I12 A94	I12-A14 VanDerWaalsContact C-N 3.29Å; I12-A14 PolarHBondContact O-N 3.13Å; A14-A94 WeakPolarHBondContact CA-O 3.44Å; A14-A94 WeakPolarHBondContact CB-O 3.38Å
15	A	59.3	Low	70.5	Confident	90 Å²	90	69.4 Å²	69.4	74%	0.744	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.1	-170.7	0	0	0	0	0	115.1	A13	A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.5Å
16	E	72.6	Confident	72.8	Confident	130 Å²	130	67.5 Å²	67.5	61%	0.607	38%	0.377	S	S	*	.	S	Bend	trans	-114.8	134.8	-173.8	-68.4	-177.1	172.9	0	0	112.2	K95	E16-K95 PolarHBondContact O-NZ 3.32Å
17	P	83.1	Confident	74.7	Confident	111 Å²	111	64.3 Å²	64.3	72%	0.721	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-61.5	160.1	176.8	28.1	-34.8	0	0	0	111.2	P19	P17-P19 WeakPolarHBondContact O-CD 3.48Å
18	W	90.2	Very high	76.6	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.087	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-62.7	120.4	175.1	-170.4	-84.4	0	0	0	110.2	A22 L48 L53 P54 V77 F91 T92 K95	W18-A22 HydrophobicContact CZ2-CB 3.83Å; W18-L48 HydrophobicContact CH2-CD2 3.69Å; W18-L48 HydrophobicContact CZ2-CD2 3.94Å; W18-L53 HydrophobicContact CB-CD2 3.86Å; W18-L53 HydrophobicContact CD2-CB 4.25Å; W18-L53 HydrophobicContact CD2-CD1 3.9Å; W18-L53 HydrophobicContact CD2-CD2 3.86Å; W18-L53 HydrophobicContact CD2-CG 4.22Å; W18-L53 HydrophobicContact CE3-CD1 3.81Å; W18-L53 HydrophobicContact CE3-CD2 4.34Å; W18-L53 HydrophobicContact CG-CB 4.45Å; W18-L53 HydrophobicContact CG-CD2 3.63Å; W18-L53 HydrophobicContact CG-CG 4.43Å; W18-L53 HydrophobicContact CH2-CD1 4.08Å; W18-L53 HydrophobicContact CZ2-CB 4.21Å; W18-L53 HydrophobicContact CZ2-CD1 4.17Å; W18-L53 HydrophobicContact CZ3-CD1 3.92Å; W18-P54 PolarHBondContact NE1-O 3.17Å; W18-V77 HydrophobicContact CD2-CG1 4.44Å; W18-V77 HydrophobicContact CE3-CG1 4.26Å; W18-V77 HydrophobicContact CH2-CG2 3.72Å; W18-V77 HydrophobicContact CZ2-CG2 3.94Å; W18-V77 HydrophobicContact CZ3-CG1 4.35Å; W18-V77 HydrophobicContact CZ3-CG2 4.12Å; W18-F91 HydrophobicContact CZ3-CD1 4.12Å; W18-F91 AromaticContact CZ3-CE1 3.86Å; W18-F91 HydrophobicContact CZ3-CE1 3.86Å; W18-T92 HydrophobicContact CE3-CG2 4.39Å; W18-T92 HydrophobicContact CH2-CG2 4Å; W18-T92 HydrophobicContact CZ3-CG2 3.56Å; W18-K95 HydrophobicContact CE3-CD 3.98Å; W18-K95 HydrophobicContact CZ3-CD 4.49Å
19	P	89.9	Confident	78.2	Confident	33 Å²	33	62 Å²	62	21%	0.214	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-82.6	147.8	-174.3	35.3	-36.5	0	0	0	111.9	P17 N21 A22 V77	P17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 PolarHBondContact O-N 3.03Å; P19-A22 HydrophobicContact CG-CB 4.45Å; P19-A22 WeakPolarHBondContact O-CB 3.41Å; P19-A22 PolarHBondContact O-N 3.25Å; P19-V77 HydrophobicContact CG-CG1 3.71Å
20	E	88.5	Confident	79.4	Confident	158 Å²	158	65.3 Å²	65.3	74%	0.738	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.1	177.6	-68.8	-64.6	159.1	0	0	113.7	A22	E20-A22 VanDerWaalsContact C-N 3.34Å
21	N	90.3	Very high	80.6	Confident	117 Å²	117	67.4 Å²	67.4	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	13.9	179.9	71	-14.5	0	0	0	113.7	P19 T23	P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 PolarHBondContact O-N 3.03Å; N21-T23 PolarHBondContact O-N 3.47Å; N21-T23 PolarHBondContact O-OG1 2.94Å; N21-T23 VanDerWaalsContact O-OG1 3.12Å
22	A	95.2	Very high	82.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.33	C	S	.	.			trans	-53.5	129.8	173.2	0	0	0	0	0	110.2	W18 P19 E20 V55 H56 V77	W18-A22 HydrophobicContact CZ2-CB 3.83Å; P19-A22 HydrophobicContact CG-CB 4.45Å; P19-A22 WeakPolarHBondContact O-CB 3.41Å; P19-A22 PolarHBondContact O-N 3.25Å; E20-A22 VanDerWaalsContact C-N 3.34Å; A22-V55 WeakPolarHBondContact O-CA 3.39Å; A22-H56 PolarHBondContact O-N 3.22Å; A22-V77 HydrophobicContact CB-CG2 4.03Å
23	T	97.1	Very high	83.9	Confident	22 Å²	22	57 Å²	57	14%	0.135	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.1	-174.7	-57.8	0	0	0	0	110.6	N21 Y25 H56 V75 H76	N21-T23 PolarHBondContact O-N 3.47Å; N21-T23 PolarHBondContact O-OG1 2.94Å; N21-T23 VanDerWaalsContact O-OG1 3.12Å; T23-Y25 HydrophobicContact CG2-CD1 4.49Å; T23-Y25 HydrophobicContact CG2-CD2 3.93Å; T23-Y25 HydrophobicContact CG2-CE1 4.12Å; T23-Y25 HydrophobicContact CG2-CE2 3.5Å; T23-Y25 HydrophobicContact CG2-CG 4.42Å; T23-H56 CarbonylContact C-O 3.56Å; T23-H56 VanDerWaalsContact CA-O 3.27Å; T23-H56 WeakPolarHBondContact CA-O 3.46Å; T23-H56 WeakPolarHBondContact CG2-O 3.38Å; T23-V75 CarbonylContact O-C 3.53Å; T23-V75 WeakPolarHBondContact O-CA 3.44Å; T23-H76 PolarHBondContact N-O 2.93Å; T23-H76 PolarHBondContact O-N 2.94Å
24	L	97.2	Very high	85.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.5	169	-177.1	75.7	0	0	0	109.1	V44 Q45 V55 H56 V57 S58 P73 V75	L24-V44 HydrophobicContact CD1-CB 4.37Å; L24-V44 HydrophobicContact CD1-CG1 3.51Å; L24-V44 HydrophobicContact CD2-CG1 4.48Å; L24-Q45 HydrophobicContact CD2-CG 3.32Å; L24-V55 HydrophobicContact CB-CG2 3.67Å; L24-H56 PolarHBondContact N-O 3.41Å; L24-V57 HydrophobicContact CD2-CG2 4.34Å; L24-V57 CarbonylContact O-C 3.59Å; L24-V57 WeakPolarHBondContact O-CA 3.31Å; L24-S58 PolarHBondContact O-N 3.38Å; L24-P73 HydrophobicContact CD1-CB 3.73Å; L24-P73 HydrophobicContact CD1-CG 4.15Å; L24-P73 HydrophobicContact CD2-CB 4.48Å; L24-P73 HydrophobicContact CG-CB 4.11Å; L24-V75 HydrophobicContact CD1-CG1 3.55Å
25	Y	96.7	Very high	87.5	Confident	38 Å²	38	54.8 Å²	54.8	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.5	177.4	-72.7	-83.6	0	0	0	111.4	T23 S58 R60 M66 P73 F74 H76	T23-Y25 HydrophobicContact CG2-CD1 4.49Å; T23-Y25 HydrophobicContact CG2-CD2 3.93Å; T23-Y25 HydrophobicContact CG2-CE1 4.12Å; T23-Y25 HydrophobicContact CG2-CE2 3.5Å; T23-Y25 HydrophobicContact CG2-CG 4.42Å; Y25-S58 WeakPolarHBondContact CA-O 3.4Å; Y25-R60 HydrophobicContact CD1-CG 3.62Å; Y25-R60 HydrophobicContact CE1-CG 3.85Å; Y25-M66 HydrophobicContact CD1-CE 4.01Å; Y25-M66 HydrophobicContact CE1-CE 3.85Å; Y25-M66 HydrophobicContact CG-CE 4.48Å; Y25-P73 VanDerWaalsContact O-CA 3.24Å; Y25-P73 WeakPolarHBondContact O-CA 3.28Å; Y25-P73 VanDerWaalsContact O-CB 3.3Å; Y25-P73 WeakPolarHBondContact O-CB 3.46Å; Y25-F74 HydrophobicContact CD1-CZ 4.32Å; Y25-F74 HydrophobicContact CD2-CD2 4.07Å; Y25-F74 AromaticContact CD2-CE2 3.34Å; Y25-F74 HydrophobicContact CD2-CE2 3.34Å; Y25-F74 AromaticContact CD2-CZ 3.65Å; Y25-F74 HydrophobicContact CD2-CZ 3.65Å; Y25-F74 HydrophobicContact CE2-CE2 4.19Å; Y25-F74 HydrophobicContact CG-CD2 4.5Å; Y25-F74 HydrophobicContact CG-CE1 4.14Å; Y25-F74 AromaticContact CG-CE2 3.7Å; Y25-F74 HydrophobicContact CG-CE2 3.7Å; Y25-F74 AromaticContact CG-CZ 3.48Å; Y25-F74 HydrophobicContact CG-CZ 3.48Å; Y25-F74 VanDerWaalsContact CG-CZ 3.48Å; Y25-F74 PolarHBondContact N-O 3.44Å; Y25-F74 PolarHBondContact O-N 2.89Å; Y25-H76 HydrophobicContact CD2-CB 4.16Å; Y25-H76 HydrophobicContact CE2-CB 3.72Å
26	Q	95.2	Very high	89.2	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.023	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.5	177.2	58.4	171	68.3	0	0	111.3	V57 S58 C59 R60 P73	Q26-V57 HydrophobicContact CG-CG1 3.87Å; Q26-S58 PolarHBondContact N-O 3.11Å; Q26-S58 VanDerWaalsContact N-O 3.15Å; Q26-C59 CarbonylContact O-C 3.58Å; Q26-C59 VanDerWaalsContact O-CA 3.28Å; Q26-C59 WeakPolarHBondContact O-CA 3.43Å; Q26-R60 PolarHBondContact O-N 2.85Å; Q26-P73 HydrophobicContact CB-CB 4.5Å
27	P	92.9	Very high	90.2	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.084	24%	0.237	C	C	.	.			trans	-62.9	166	173.8	-22.6	34.7	0	0	0	113.3	R29 Q32 I33 V72	P27-R29 PolarHBondContact O-N 2.95Å; P27-Q32 HydrophobicContact CB-CB 4.1Å; P27-I33 HydrophobicContact CB-CB 4.25Å; P27-I33 HydrophobicContact CB-CG1 4.37Å; P27-I33 HydrophobicContact CG-CG1 4.4Å; P27-V72 HydrophobicContact CG-CB 4.36Å; P27-V72 HydrophobicContact CG-CG1 4.43Å; P27-V72 HydrophobicContact CG-CG2 3.74Å
28	L	89.7	Confident	90.8	Very high	53 Å²	53	42 Å²	42	28%	0.277	21%	0.209	S	C	.	.			trans	-60.6	125.6	173.8	-60.4	179.7	0	0	0	110.7	E30 Q32 I33 C59	L28-E30 PolarHBondContact O-N 2.64Å; L28-Q32 HydrophobicContact CB-CB 4.1Å; L28-Q32 HydrophobicContact CB-CG 4.25Å; L28-Q32 PolarHBondContact O-N 3.12Å; L28-I33 PolarHBondContact O-N 3.45Å; L28-C59 HydrophobicContact CD2-CB 3.91Å
29	R	81.9	Confident	91.1	Very high	82 Å²	82	41 Å²	41	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-40.9	-169.9	-169.9	-179.5	-176.9	118.1	6.2	113.8	P27 I33	P27-R29 PolarHBondContact O-N 2.95Å; R29-I33 WeakPolarHBondContact O-CG2 3.44Å
30	E	79.1	Confident	91.5	Very high	128 Å²	128	40.8 Å²	40.8	60%	0.598	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-42.5	-173.5	-65.2	-177.9	177.7	0	0	111.2	L28 R144	L28-E30 PolarHBondContact O-N 2.64Å; E30-R144 PolarHBondContact O-NH1 2.97Å
31	D	78.3	Confident	91.8	Very high	100 Å²	100	33.4 Å²	33.4	54%	0.535	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-27	-168	-56.2	-47.4	0	0	0	114.8	R144	D31-R144 WeakPolarHBondContact O-CA 3.3Å
32	Q	86.1	Confident	92.1	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.079	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-38.7	-164.6	-75.1	173.1	3.7	0	0	115.3	P27 L28 L34 S147 P148	P27-Q32 HydrophobicContact CB-CB 4.1Å; L28-Q32 HydrophobicContact CB-CB 4.1Å; L28-Q32 HydrophobicContact CB-CG 4.25Å; L28-Q32 PolarHBondContact O-N 3.12Å; Q32-L34 PolarHBondContact O-N 2.84Å; Q32-S147 WeakPolarHBondContact CG-OG 3.41Å; Q32-S147 PolarHBondContact NE2-OG 3.33Å; Q32-P148 HydrophobicContact CG-CG 4.25Å
33	I	87.8	Confident	92.3	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.072	14%	0.143	C	C	.	.			trans	-61.7	127.3	-170.3	-155.3	169.2	0	0	0	109.9	P27 L28 R29 D37 C38	P27-I33 HydrophobicContact CB-CB 4.25Å; P27-I33 HydrophobicContact CB-CG1 4.37Å; P27-I33 HydrophobicContact CG-CG1 4.4Å; L28-I33 PolarHBondContact O-N 3.45Å; R29-I33 WeakPolarHBondContact O-CG2 3.44Å; I33-D37 HydrophobicContact CG1-CB 3.92Å; I33-C38 HydrophobicContact CD1-CB 3.92Å; I33-C38 HydrophobicContact CG1-CB 4.01Å; I33-C38 HydrophobicContact CG2-CB 4.43Å
34	L	93.2	Very high	92.3	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	14%	0.137	C	C	.	.			trans	-92.5	158.1	176.7	-63.4	175.5	0	0	0	109.3	Q32 S36 D37 C38 Q130 W131 R144 Y145	Q32-L34 PolarHBondContact O-N 2.84Å; L34-S36 PolarHBondContact O-N 3.42Å; L34-D37 PolarHBondContact O-N 3.09Å; L34-D37 VanDerWaalsContact O-N 3.11Å; L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.9Å; L34-Q130 VanDerWaalsContact CB-NE2 3.27Å; L34-W131 HydrophobicContact CD1-CZ2 3.62Å; L34-R144 HydrophobicContact CD2-CB 3.77Å; L34-Y145 HydrophobicContact CD1-CD2 4.19Å
35	L	93.4	Very high	92.4	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-40.2	-60.6	177.4	-175.1	74.4	0	0	0	114	D37 C38 A39 E126 Q130 T221 T225 L227	L35-D37 PolarHBondContact O-N 2.94Å; L35-C38 WeakPolarHBondContact O-CB 3.36Å; L35-C38 PolarHBondContact O-N 3.4Å; L35-A39 PolarHBondContact O-N 2.79Å; L35-E126 HydrophobicContact CD2-CB 3.89Å; L35-E126 HydrophobicContact CD2-CG 3.69Å; L35-E126 HydrophobicContact CG-CB 4.31Å; L35-E126 HydrophobicContact CG-CG 4.03Å; L35-Q130 HydrophobicContact CB-CG 4.31Å; L35-Q130 VanDerWaalsContact CB-NE2 3.32Å; L35-T221 HydrophobicContact CD1-CG2 3.64Å; L35-T221 HydrophobicContact CG-CG2 4.39Å; L35-T221 WeakPolarHBondContact O-CG2 3.35Å; L35-T225 HydrophobicContact CD1-CG2 3.76Å; L35-L227 HydrophobicContact CD1-CD2 4.27Å; L35-L227 HydrophobicContact CD2-CD1 4.04Å; L35-L227 HydrophobicContact CD2-CD2 4.01Å
36	S	94.8	Very high	92.4	Very high	5 Å²	5	26 Å²	26	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-40.4	178.1	52.7	0	0	0	0	115.2	L34 A39 S40 E126 Q130	L34-S36 PolarHBondContact O-N 3.42Å; S36-A39 PolarHBondContact O-N 2.75Å; S36-S40 WeakPolarHBondContact O-CB 3.28Å; S36-S40 PolarHBondContact O-N 3.3Å; S36-S40 PolarHBondContact O-OG 3.18Å; S36-E126 WeakPolarHBondContact CA-OE2 3.36Å; S36-Q130 VanDerWaalsContact OG-CD 3.31Å; S36-Q130 PolarHBondContact OG-NE2 3.04Å; S36-Q130 PolarHBondContact OG-OE1 2.89Å
37	D	94.9	Very high	92.6	Very high	39 Å²	39	25.7 Å²	25.7	21%	0.209	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-35.8	176.3	-65.8	-32.2	0	0	0	111.3	I33 L34 L35 S41 V72	I33-D37 HydrophobicContact CG1-CB 3.92Å; L34-D37 PolarHBondContact O-N 3.09Å; L34-D37 VanDerWaalsContact O-N 3.11Å; L35-D37 PolarHBondContact O-N 2.94Å; D37-S41 WeakPolarHBondContact O-CB 3.47Å; D37-S41 PolarHBondContact O-N 3.46Å; D37-S41 PolarHBondContact O-OG 3.35Å; D37-V72 HydrophobicContact CB-CG2 3.85Å; D37-V72 VanDerWaalsContact CG-CG2 3.49Å; D37-V72 WeakPolarHBondContact OD1-CG2 3.26Å
38	C	95.1	Very high	92.8	Very high	20 Å²	20	25.1 Å²	25.1	14%	0.135	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-45.4	174.8	-168.4	0	0	0	0	110.8	I33 L34 L35 S41 L42 T221	I33-C38 HydrophobicContact CD1-CB 3.92Å; I33-C38 HydrophobicContact CG1-CB 4.01Å; I33-C38 HydrophobicContact CG2-CB 4.43Å; L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.9Å; L35-C38 WeakPolarHBondContact O-CB 3.36Å; L35-C38 PolarHBondContact O-N 3.4Å; C38-S41 PolarHBondContact O-N 3.28Å; C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.06Å; C38-T221 HydrophobicContact CB-CG2 3.73Å
39	A	96.6	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-49	175.7	0	0	0	0	0	112.1	L35 S36 S41 L42 A43 G217 H218 T221	L35-A39 PolarHBondContact O-N 2.79Å; S36-A39 PolarHBondContact O-N 2.75Å; A39-S41 VanDerWaalsContact C-N 3.3Å; A39-S41 PolarHBondContact O-N 3.45Å; A39-L42 PolarHBondContact O-N 3.1Å; A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 2.91Å; A39-G217 WeakPolarHBondContact CA-O 3.42Å; A39-H218 WeakPolarHBondContact CB-ND1 3.23Å; A39-T221 VanDerWaalsContact CA-OG1 3.24Å; A39-T221 WeakPolarHBondContact CA-OG1 3.38Å; A39-T221 HydrophobicContact CB-CG2 4.2Å; A39-T221 PolarHBondContact N-OG1 3.49Å
40	S	96.9	Very high	93.8	Very high	30 Å²	30	21.3 Å²	21.3	21%	0.21	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-39	176.3	-57.8	0	0	0	0	111.7	S36 A43 V44	S36-S40 WeakPolarHBondContact O-CB 3.28Å; S36-S40 PolarHBondContact O-N 3.3Å; S36-S40 PolarHBondContact O-OG 3.18Å; S40-A43 PolarHBondContact O-N 3.39Å; S40-V44 WeakPolarHBondContact O-CG2 3.25Å; S40-V44 PolarHBondContact O-N 2.91Å; S40-V44 VanDerWaalsContact O-N 3.09Å
41	S	96.4	Very high	94.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-65.2	-44.3	177.3	-63.3	0	0	0	0	112.3	D37 C38 A39 Q45	D37-S41 WeakPolarHBondContact O-CB 3.47Å; D37-S41 PolarHBondContact O-N 3.46Å; D37-S41 PolarHBondContact O-OG 3.35Å; C38-S41 PolarHBondContact O-N 3.28Å; A39-S41 VanDerWaalsContact C-N 3.3Å; A39-S41 PolarHBondContact O-N 3.45Å; S41-Q45 WeakPolarHBondContact O-CB 3.41Å; S41-Q45 VanDerWaalsContact O-CG 3.29Å; S41-Q45 WeakPolarHBondContact O-CG 2.95Å; S41-Q45 PolarHBondContact O-N 3.1Å; S41-Q45 PolarHBondContact O-NE2 2.95Å
42	L	96.8	Very high	95.4	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.052	10%	0.096	C	C	.	.	H	α-helix	trans	-69	-37.7	177.1	-78.1	171.4	0	0	0	112	C38 A39 Q45 A46 F220 T221 F254	C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.06Å; A39-L42 PolarHBondContact O-N 3.1Å; L42-Q45 PolarHBondContact O-N 3.47Å; L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.47Å; L42-F220 HydrophobicContact CD1-CD1 3.87Å; L42-F220 HydrophobicContact CD1-CE1 4.49Å; L42-T221 WeakPolarHBondContact CD1-OG1 3.48Å; L42-F254 HydrophobicContact CD2-CE1 3.82Å; L42-F254 HydrophobicContact CD2-CZ 4.45Å
43	A	98.3	Very high	95.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.9	0	0	0	0	0	111.8	A39 S40 A46 Y47 A213 L214	A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 2.91Å; S40-A43 PolarHBondContact O-N 3.39Å; A43-A46 PolarHBondContact O-N 2.89Å; A43-Y47 WeakPolarHBondContact O-CB 3.47Å; A43-Y47 PolarHBondContact O-N 3.06Å; A43-A213 WeakPolarHBondContact CA-O 3.38Å; A43-L214 HydrophobicContact CB-CD1 4.29Å
44	V	98.2	Very high	96.1	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-40.6	177.6	174.1	0	0	0	0	111.5	L24 S40 Y47 L48 P73 V75 L85 I88	L24-V44 HydrophobicContact CD1-CB 4.37Å; L24-V44 HydrophobicContact CD1-CG1 3.51Å; L24-V44 HydrophobicContact CD2-CG1 4.48Å; S40-V44 WeakPolarHBondContact O-CG2 3.25Å; S40-V44 PolarHBondContact O-N 2.91Å; S40-V44 VanDerWaalsContact O-N 3.09Å; V44-Y47 PolarHBondContact O-N 3.49Å; V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.29Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 3.06Å; V44-P73 HydrophobicContact CB-CG 3.84Å; V44-P73 HydrophobicContact CG1-CG 4.35Å; V44-P73 HydrophobicContact CG2-CG 3.67Å; V44-V75 HydrophobicContact CG1-CG1 4.41Å; V44-L85 HydrophobicContact CG2-CB 4.21Å; V44-L85 HydrophobicContact CG2-CD1 4.05Å; V44-I88 HydrophobicContact CG1-CD1 3.71Å; V44-I88 HydrophobicContact CG2-CD1 3.91Å
45	Q	97.8	Very high	96.1	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-46	175	-75.5	176.1	66.5	0	0	112	L24 S41 L42 Y47 L48 R49 V57 F254	L24-Q45 HydrophobicContact CD2-CG 3.32Å; S41-Q45 WeakPolarHBondContact O-CB 3.41Å; S41-Q45 VanDerWaalsContact O-CG 3.29Å; S41-Q45 WeakPolarHBondContact O-CG 2.95Å; S41-Q45 PolarHBondContact O-N 3.1Å; S41-Q45 PolarHBondContact O-NE2 2.95Å; L42-Q45 PolarHBondContact O-N 3.47Å; Q45-Y47 VanDerWaalsContact C-N 3.34Å; Q45-Y47 PolarHBondContact O-N 2.77Å; Q45-L48 PolarHBondContact O-N 3.31Å; Q45-R49 WeakPolarHBondContact O-CB 3.14Å; Q45-R49 WeakPolarHBondContact O-CG 3.36Å; Q45-R49 PolarHBondContact O-N 3.38Å; Q45-V57 HydrophobicContact CG-CG2 4.3Å; Q45-F254 HydrophobicContact CB-CE1 4.47Å; Q45-F254 HydrophobicContact CB-CZ 4.41Å
46	A	98	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-46.9	176.9	0	0	0	0	0	110.6	L42 A43 L48 R49 M50 A213 F216 F254	L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 2.89Å; A46-L48 PolarHBondContact O-N 3.49Å; A46-R49 PolarHBondContact O-N 2.84Å; A46-M50 HydrophobicContact CB-CE 4.35Å; A46-M50 WeakPolarHBondContact O-CB 3.42Å; A46-M50 WeakPolarHBondContact O-CG 3.44Å; A46-M50 PolarHBondContact O-N 3.32Å; A46-A213 HydrophobicContact CB-CB 4.02Å; A46-F216 HydrophobicContact CB-CD1 3.8Å; A46-F216 HydrophobicContact CB-CE1 4.29Å; A46-F254 HydrophobicContact CB-CE2 4.02Å; A46-F254 HydrophobicContact CB-CZ 3.96Å
47	Y	98.4	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-51.4	178.1	175.1	-108.1	0	0	0	112.5	A43 V44 Q45 R49 M50 C51 L85 I88 V89 T92 L99 E210	A43-Y47 WeakPolarHBondContact O-CB 3.47Å; A43-Y47 PolarHBondContact O-N 3.06Å; V44-Y47 PolarHBondContact O-N 3.49Å; Q45-Y47 VanDerWaalsContact C-N 3.34Å; Q45-Y47 PolarHBondContact O-N 2.77Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.41Å; Y47-M50 PolarHBondContact O-N 3.44Å; Y47-C51 PolarHBondContact O-N 3.26Å; Y47-C51 PolarHBondContact O-SG 2.91Å; Y47-C51 VanDerWaalsContact O-SG 3.4Å; Y47-L85 HydrophobicContact CD1-CD1 4.14Å; Y47-L85 HydrophobicContact CG-CD1 3.9Å; Y47-I88 HydrophobicContact CD1-CG2 4.17Å; Y47-I88 HydrophobicContact CE1-CG2 4.16Å; Y47-V89 HydrophobicContact CD1-CG2 4.25Å; Y47-V89 HydrophobicContact CD2-CG2 4.12Å; Y47-V89 HydrophobicContact CE1-CB 4.44Å; Y47-V89 HydrophobicContact CE1-CG2 3.84Å; Y47-V89 HydrophobicContact CE2-CG2 3.72Å; Y47-V89 HydrophobicContact CG-CG2 4.38Å; Y47-T92 HydrophobicContact CE1-CG2 3.92Å; Y47-T92 WeakPolarHBondContact CE1-OG1 3.32Å; Y47-T92 PolarHBondContact OH-OG1 2.97Å; Y47-L99 HydrophobicContact CD2-CD1 3.59Å; Y47-L99 HydrophobicContact CD2-CG 4.42Å; Y47-L99 HydrophobicContact CE2-CD1 3.61Å; Y47-L99 HydrophobicContact CE2-CG 3.95Å; Y47-E210 HydrophobicContact CD2-CB 4Å; Y47-E210 HydrophobicContact CE2-CB 4.01Å
48	L	97.3	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-38.7	-179.2	-67.2	173.7	0	0	0	111.8	W18 V44 Q45 A46 C51 N52 L53 V55 V75 I88 T92	W18-L48 HydrophobicContact CH2-CD2 3.69Å; W18-L48 HydrophobicContact CZ2-CD2 3.94Å; V44-L48 HydrophobicContact CG1-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CG 4.29Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 3.06Å; Q45-L48 PolarHBondContact O-N 3.31Å; A46-L48 PolarHBondContact O-N 3.49Å; L48-C51 WeakPolarHBondContact O-CB 3.43Å; L48-C51 PolarHBondContact O-N 3.24Å; L48-N52 PolarHBondContact O-N 3.04Å; L48-L53 HydrophobicContact CD2-CD1 4.05Å; L48-L53 WeakPolarHBondContact O-CB 3.5Å; L48-L53 PolarHBondContact O-N 2.81Å; L48-V55 HydrophobicContact CB-CG1 4.19Å; L48-V55 HydrophobicContact CD1-CB 4.14Å; L48-V55 HydrophobicContact CD1-CG1 3.95Å; L48-V55 HydrophobicContact CD1-CG2 3.99Å; L48-V75 HydrophobicContact CD1-CG1 3.91Å; L48-I88 HydrophobicContact CD2-CG2 4.28Å; L48-T92 HydrophobicContact CD2-CG2 4.07Å
49	R	96.6	Very high	96.2	Very high	46 Å²	46	26.2 Å²	26.2	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-68.7	-39.4	175.3	-71.3	-169.2	-173.5	130.3	4.6	113	Q45 A46 Y47 C51 N52 Y253	Q45-R49 WeakPolarHBondContact O-CB 3.14Å; Q45-R49 WeakPolarHBondContact O-CG 3.36Å; Q45-R49 PolarHBondContact O-N 3.38Å; A46-R49 PolarHBondContact O-N 2.84Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.41Å; R49-C51 PolarHBondContact O-N 2.86Å; R49-N52 WeakPolarHBondContact O-CA 3.46Å; R49-N52 PolarHBondContact O-N 3.2Å; R49-Y253 HydrophobicContact CB-CD1 4.41Å; R49-Y253 WeakPolarHBondContact CD-O 3.5Å
50	M	96.8	Very high	96.1	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.044	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-33.6	173.4	-71.4	166.3	177.8	0	0	111.7	A46 Y47 N52 L99 P208 D212 A213 I249 Y253	A46-M50 HydrophobicContact CB-CE 4.35Å; A46-M50 WeakPolarHBondContact O-CB 3.42Å; A46-M50 WeakPolarHBondContact O-CG 3.44Å; A46-M50 PolarHBondContact O-N 3.32Å; Y47-M50 PolarHBondContact O-N 3.44Å; M50-N52 PolarHBondContact O-N 3.17Å; M50-L99 HydrophobicContact CB-CD1 3.67Å; M50-L99 HydrophobicContact CB-CD2 4.17Å; M50-L99 HydrophobicContact SD-CD1 4.35Å; M50-P208 HydrophobicContact CB-CG 4.02Å; M50-P208 HydrophobicContact CE-CB 3.97Å; M50-P208 HydrophobicContact CG-CB 4.02Å; M50-P208 HydrophobicContact CG-CG 3.81Å; M50-P208 HydrophobicContact SD-CB 3.6Å; M50-P208 HydrophobicContact SD-CG 4.08Å; M50-D212 HydrophobicContact CE-CB 4.37Å; M50-A213 HydrophobicContact CE-CB 4.43Å; M50-A213 HydrophobicContact SD-CB 3.85Å; M50-I249 HydrophobicContact CE-CD1 3.79Å; M50-I249 HydrophobicContact CE-CG1 4.03Å; M50-I249 HydrophobicContact CE-CG2 3.78Å; M50-Y253 HydrophobicContact CB-CE1 4.29Å; M50-Y253 HydrophobicContact CE-CD2 4.2Å; M50-Y253 HydrophobicContact CE-CE2 4.11Å; M50-Y253 HydrophobicContact CG-CD1 4.05Å; M50-Y253 HydrophobicContact CG-CD2 4.28Å; M50-Y253 HydrophobicContact CG-CE1 3.78Å; M50-Y253 HydrophobicContact CG-CE2 4.03Å; M50-Y253 HydrophobicContact CG-CG 4.3Å
51	C	95.5	Very high	95.7	Very high	15 Å²	15	33.2 Å²	33.2	10%	0.101	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.2	171.7	-68.1	0	0	0	0	114	Y47 L48 R49 L53 L99	Y47-C51 PolarHBondContact O-N 3.26Å; Y47-C51 PolarHBondContact O-SG 2.91Å; Y47-C51 VanDerWaalsContact O-SG 3.4Å; L48-C51 WeakPolarHBondContact O-CB 3.43Å; L48-C51 PolarHBondContact O-N 3.24Å; R49-C51 PolarHBondContact O-N 2.86Å; C51-L53 HydrophobicContact CB-CB 4.46Å; C51-L53 HydrophobicContact CB-CD1 3.73Å; C51-L53 HydrophobicContact CB-CG 3.67Å; C51-L53 PolarHBondContact O-N 3.03Å; C51-L99 VanDerWaalsContact SG-CG 3.6Å
52	N	94.7	Very high	95.4	Very high	141 Å²	141	36.6 Å²	36.6	75%	0.754	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.4	-170.2	-59.9	-67.3	0	0	0	113.3	L48 R49 M50	L48-N52 PolarHBondContact O-N 3.04Å; R49-N52 WeakPolarHBondContact O-CA 3.46Å; R49-N52 PolarHBondContact O-N 3.2Å; M50-N52 PolarHBondContact O-N 3.17Å
53	L	94.9	Very high	95.2	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.052	19%	0.192	C	C	.	.			trans	-94.8	125.4	179.8	-66.4	177.2	0	0	0	110.8	W18 L48 C51 V55 T92 H97	W18-L53 HydrophobicContact CB-CD2 3.86Å; W18-L53 HydrophobicContact CD2-CB 4.25Å; W18-L53 HydrophobicContact CD2-CD1 3.9Å; W18-L53 HydrophobicContact CD2-CD2 3.86Å; W18-L53 HydrophobicContact CD2-CG 4.22Å; W18-L53 HydrophobicContact CE3-CD1 3.81Å; W18-L53 HydrophobicContact CE3-CD2 4.34Å; W18-L53 HydrophobicContact CG-CB 4.45Å; W18-L53 HydrophobicContact CG-CD2 3.63Å; W18-L53 HydrophobicContact CG-CG 4.43Å; W18-L53 HydrophobicContact CH2-CD1 4.08Å; W18-L53 HydrophobicContact CZ2-CB 4.21Å; W18-L53 HydrophobicContact CZ2-CD1 4.17Å; W18-L53 HydrophobicContact CZ3-CD1 3.92Å; L48-L53 HydrophobicContact CD2-CD1 4.05Å; L48-L53 WeakPolarHBondContact O-CB 3.5Å; L48-L53 PolarHBondContact O-N 2.81Å; C51-L53 HydrophobicContact CB-CB 4.46Å; C51-L53 HydrophobicContact CB-CD1 3.73Å; C51-L53 HydrophobicContact CB-CG 3.67Å; C51-L53 PolarHBondContact O-N 3.03Å; L53-V55 PolarHBondContact O-N 3.24Å; L53-T92 HydrophobicContact CD1-CG2 3.68Å; L53-H97 HydrophobicContact CD1-CB 4.21Å
54	P	92.9	Very high	94.9	Very high	45 Å²	45	38.1 Å²	38.1	29%	0.292	20%	0.201	S	C	.	.			trans	-65.3	131.9	175.4	27.2	-33.4	0	0	0	109.6	W18	W18-P54 PolarHBondContact NE1-O 3.17Å
55	V	94.3	Very high	94.6	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.188	23%	0.225	C	C	.	.			trans	-148.8	129.4	176.3	67.2	0	0	0	0	110.9	A22 L24 L48 L53	A22-V55 WeakPolarHBondContact O-CA 3.39Å; L24-V55 HydrophobicContact CB-CG2 3.67Å; L48-V55 HydrophobicContact CB-CG1 4.19Å; L48-V55 HydrophobicContact CD1-CB 4.14Å; L48-V55 HydrophobicContact CD1-CG1 3.95Å; L48-V55 HydrophobicContact CD1-CG2 3.99Å; L53-V55 PolarHBondContact O-N 3.24Å
56	H	95.2	Very high	94.4	Very high	117 Å²	117	47.2 Å²	47.2	54%	0.542	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.3	173.7	178.8	-80.3	0	0	0	110.2	A22 T23 L24	A22-H56 PolarHBondContact O-N 3.22Å; T23-H56 CarbonylContact C-O 3.56Å; T23-H56 VanDerWaalsContact CA-O 3.27Å; T23-H56 WeakPolarHBondContact CA-O 3.46Å; T23-H56 WeakPolarHBondContact CG2-O 3.38Å; L24-H56 PolarHBondContact N-O 3.41Å
57	V	94.8	Very high	94.2	Very high	22 Å²	22	47.7 Å²	47.7	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.2	176.4	-176.5	0	0	0	0	109.8	L24 Q26 Q45 Y266	L24-V57 HydrophobicContact CD2-CG2 4.34Å; L24-V57 CarbonylContact O-C 3.59Å; L24-V57 WeakPolarHBondContact O-CA 3.31Å; Q26-V57 HydrophobicContact CG-CG1 3.87Å; Q45-V57 HydrophobicContact CG-CG2 4.3Å; V57-Y266 WeakPolarHBondContact CG2-OH 3.15Å
58	S	95.1	Very high	93.8	Very high	14 Å²	14	51.9 Å²	51.9	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.3	176.9	-166.5	0	0	0	0	111	L24 Y25 Q26	L24-S58 PolarHBondContact O-N 3.38Å; Y25-S58 WeakPolarHBondContact CA-O 3.4Å; Q26-S58 PolarHBondContact N-O 3.11Å; Q26-S58 VanDerWaalsContact N-O 3.15Å
59	C	94.8	Very high	93.5	Very high	48 Å²	48	54.1 Å²	54.1	32%	0.324	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.8	175.5	-58.7	0	0	0	0	110.4	Q26 L28	Q26-C59 CarbonylContact O-C 3.58Å; Q26-C59 VanDerWaalsContact O-CA 3.28Å; Q26-C59 WeakPolarHBondContact O-CA 3.43Å; L28-C59 HydrophobicContact CD2-CB 3.91Å
60	R	93.5	Very high	93.2	Very high	116 Å²	116	53.3 Å²	53.3	44%	0.438	29%	0.291	S	S	.	.			trans	-133	137	179	-65.1	-65.3	-176.4	-139.2	1.3	110.9	Y25 Q26 N62 A63 M66	Y25-R60 HydrophobicContact CD1-CG 3.62Å; Y25-R60 HydrophobicContact CE1-CG 3.85Å; Q26-R60 PolarHBondContact O-N 2.85Å; R60-N62 VanDerWaalsContact C-N 3.26Å; R60-N62 PolarHBondContact O-N 2.97Å; R60-A63 HydrophobicContact CB-CB 4.2Å; R60-A63 WeakPolarHBondContact O-CB 3.42Å; R60-A63 PolarHBondContact O-N 3.2Å; R60-M66 HydrophobicContact CB-SD 4Å; R60-M66 HydrophobicContact CG-SD 3.99Å
61	S	90.1	Very high	93	Very high	60 Å²	60	58.1 Å²	58.1	42%	0.42	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.3	179.1	53.5	0	0	0	0	113.5
62	N	90.1	Very high	92.9	Very high	73 Å²	73	57.9 Å²	57.9	39%	0.39	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	22.4	177.9	66.9	-30.6	0	0	0	112.8	R60 E64 Y65 M66	R60-N62 VanDerWaalsContact C-N 3.26Å; R60-N62 PolarHBondContact O-N 2.97Å; N62-E64 PolarHBondContact O-N 2.67Å; N62-Y65 HydrophobicContact CB-CD2 4.32Å; N62-Y65 PolarHBondContact O-N 3.33Å; N62-M66 PolarHBondContact O-N 3.4Å
63	A	92.7	Very high	93	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-54.4	-38.3	-175.2	0	0	0	0	0	113.1	R60 Y65 M66 S67 V72 F74	R60-A63 HydrophobicContact CB-CB 4.2Å; R60-A63 WeakPolarHBondContact O-CB 3.42Å; R60-A63 PolarHBondContact O-N 3.2Å; A63-Y65 VanDerWaalsContact C-N 3.31Å; A63-Y65 PolarHBondContact O-N 3.36Å; A63-M66 PolarHBondContact O-N 3.38Å; A63-S67 PolarHBondContact O-N 3.01Å; A63-V72 HydrophobicContact CB-CG1 3.83Å; A63-F74 WeakPolarHBondContact O-CE1 3.23Å
64	E	91.2	Very high	93.1	Very high	42 Å²	42	51 Å²	51	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-42.2	177.9	-162	176.5	-179.3	0	0	111.8	N62 S67 G70 Y145 K161	N62-E64 PolarHBondContact O-N 2.67Å; E64-S67 WeakPolarHBondContact O-CB 3.47Å; E64-S67 PolarHBondContact O-N 3.5Å; E64-G70 WeakPolarHBondContact CG-O 3.46Å; E64-G70 WeakPolarHBondContact O-CA 3.49Å; E64-Y145 WeakPolarHBondContact OE2-CE2 3.12Å; E64-Y145 PolarHBondContact OE2-OH 2.71Å; E64-K161 IonicContact OE1-NZ 3.8Å; E64-K161 PolarHBondContact OE1-NZ 2.89Å
65	Y	91.4	Very high	93.3	Very high	131 Å²	131	48.8 Å²	48.8	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-79.8	-19.2	179.4	-57.1	-71.3	0	0	0	114.3	N62 A63 S67 Y149 L157	N62-Y65 HydrophobicContact CB-CD2 4.32Å; N62-Y65 PolarHBondContact O-N 3.33Å; A63-Y65 VanDerWaalsContact C-N 3.31Å; A63-Y65 PolarHBondContact O-N 3.36Å; Y65-S67 VanDerWaalsContact C-N 3.29Å; Y65-Y149 AromaticContact CE2-CE1 3.78Å; Y65-Y149 HydrophobicContact CE2-CE1 3.78Å; Y65-Y149 AromaticContact CE2-CZ 3.83Å; Y65-Y149 WeakPolarHBondContact CE2-OH 3.28Å; Y65-Y149 PolarHBondContact OH-OH 2.85Å; Y65-L157 VanDerWaalsContact OH-CD1 3.31Å; Y65-L157 WeakPolarHBondContact OH-CD1 3.46Å
66	M	93.3	Very high	93.4	Very high	70 Å²	70	50.8 Å²	50.8	35%	0.345	27%	0.266	S	S	.	.	H	α-helix	trans	-76.6	-22.9	172.2	-63.8	173.8	67	0	0	111.5	Y25 R60 N62 A63 F74	Y25-M66 HydrophobicContact CD1-CE 4.01Å; Y25-M66 HydrophobicContact CE1-CE 3.85Å; Y25-M66 HydrophobicContact CG-CE 4.48Å; R60-M66 HydrophobicContact CB-SD 4Å; R60-M66 HydrophobicContact CG-SD 3.99Å; N62-M66 PolarHBondContact O-N 3.4Å; A63-M66 PolarHBondContact O-N 3.38Å; M66-F74 HydrophobicContact CB-CE1 3.75Å; M66-F74 HydrophobicContact CB-CE2 4.44Å; M66-F74 HydrophobicContact CB-CZ 3.41Å; M66-F74 VanDerWaalsContact CB-CZ 3.41Å; M66-F74 HydrophobicContact CE-CZ 4.13Å; M66-F74 HydrophobicContact SD-CZ 4.49Å
67	S	94.2	Very high	93.3	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.07	24%	0.241	C	C	.	.	S	Bend	trans	-74.3	134.2	-178.4	-179.8	0	0	0	0	111.7	A63 E64 Y65 S69 G70 K71 S83	A63-S67 PolarHBondContact O-N 3.01Å; E64-S67 WeakPolarHBondContact O-CB 3.47Å; E64-S67 PolarHBondContact O-N 3.5Å; Y65-S67 VanDerWaalsContact C-N 3.29Å; S67-S69 PolarHBondContact O-N 3.39Å; S67-S69 PolarHBondContact OG-N 2.68Å; S67-G70 PolarHBondContact O-N 2.97Å; S67-K71 WeakPolarHBondContact CB-O 3.35Å; S67-K71 PolarHBondContact OG-N 3.43Å; S67-K71 PolarHBondContact OG-O 3.19Å; S67-S83 WeakPolarHBondContact OG-CB 3.44Å
68	P	90.6	Very high	93	Very high	87 Å²	87	45.6 Å²	45.6	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.4	177.8	26.7	-34.9	0	0	0	113.1	V81	P68-V81 HydrophobicContact CG-CG1 4.16Å
69	S	91	Very high	92.7	Very high	47 Å²	47	52.5 Å²	52.5	33%	0.329	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-1	176.9	76.5	0	0	0	0	114.1	S67 K71 S83 E84	S67-S69 PolarHBondContact O-N 3.39Å; S67-S69 PolarHBondContact OG-N 2.68Å; S69-K71 PolarHBondContact O-N 3.25Å; S69-K71 WeakPolarHBondContact OG-CB 3.3Å; S69-K71 PolarHBondContact OG-N 3.02Å; S69-S83 WeakPolarHBondContact CB-OG 3.33Å; S69-S83 PolarHBondContact OG-OG 3.26Å; S69-E84 WeakPolarHBondContact CB-OE2 3.49Å; S69-E84 PolarHBondContact OG-OE2 2.75Å
70	G	90.9	Very high	92.5	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	28%	0.279	S	S	.	.	S	Bend	trans	69	12.6	-170.4	0	0	0	0	0	113.5	E64 S67	E64-G70 WeakPolarHBondContact CG-O 3.46Å; E64-G70 WeakPolarHBondContact O-CA 3.49Å; S67-G70 PolarHBondContact O-N 2.97Å
71	K	91.7	Very high	92.6	Very high	111 Å²	111	49.7 Å²	49.7	48%	0.483	27%	0.274	S	S	.	.			trans	-117.8	144.3	177.1	-59.9	-178.5	-167.4	167.1	0	111.4	S67 S69 E84	S67-K71 WeakPolarHBondContact CB-O 3.35Å; S67-K71 PolarHBondContact OG-N 3.43Å; S67-K71 PolarHBondContact OG-O 3.19Å; S69-K71 PolarHBondContact O-N 3.25Å; S69-K71 WeakPolarHBondContact OG-CB 3.3Å; S69-K71 PolarHBondContact OG-N 3.02Å; K71-E84 HydrophobicContact CB-CG 4.19Å; K71-E84 HydrophobicContact CD-CG 3.96Å; K71-E84 WeakPolarHBondContact CD-OE1 3.33Å; K71-E84 IonicContact NZ-OE1 3.76Å; K71-E84 PolarHBondContact NZ-OE1 2.81Å; K71-E84 IonicContact NZ-OE2 2.58Å
72	V	94	Very high	92.8	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	26%	0.259	C	S	.	.	S	Bend	trans	-110.9	153.9	177.8	-68.6	0	0	0	0	110.3	P27 D37 A63	P27-V72 HydrophobicContact CG-CB 4.36Å; P27-V72 HydrophobicContact CG-CG1 4.43Å; P27-V72 HydrophobicContact CG-CG2 3.74Å; D37-V72 HydrophobicContact CB-CG2 3.85Å; D37-V72 VanDerWaalsContact CG-CG2 3.49Å; D37-V72 WeakPolarHBondContact OD1-CG2 3.26Å; A63-V72 HydrophobicContact CB-CG1 3.83Å
73	P	96.5	Very high	93.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.243	C	C	.	.			cis	-77.5	171.2	-4.5	41.2	-45	0	0	0	112.2	L24 Y25 Q26 V44 E84	L24-P73 HydrophobicContact CD1-CB 3.73Å; L24-P73 HydrophobicContact CD1-CG 4.15Å; L24-P73 HydrophobicContact CD2-CB 4.48Å; L24-P73 HydrophobicContact CG-CB 4.11Å; Y25-P73 VanDerWaalsContact O-CA 3.24Å; Y25-P73 WeakPolarHBondContact O-CA 3.28Å; Y25-P73 VanDerWaalsContact O-CB 3.3Å; Y25-P73 WeakPolarHBondContact O-CB 3.46Å; Q26-P73 HydrophobicContact CB-CB 4.5Å; V44-P73 HydrophobicContact CB-CG 3.84Å; V44-P73 HydrophobicContact CG1-CG 4.35Å; V44-P73 HydrophobicContact CG2-CG 3.67Å; P73-E84 PolarHBondContact O-N 3.25Å
74	F	97.3	Very high	93.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.9	167.4	68.2	-89.1	0	0	0	111	Y25 A63 M66 V81 V82	Y25-F74 HydrophobicContact CD1-CZ 4.32Å; Y25-F74 HydrophobicContact CD2-CD2 4.07Å; Y25-F74 AromaticContact CD2-CE2 3.34Å; Y25-F74 HydrophobicContact CD2-CE2 3.34Å; Y25-F74 AromaticContact CD2-CZ 3.65Å; Y25-F74 HydrophobicContact CD2-CZ 3.65Å; Y25-F74 HydrophobicContact CE2-CE2 4.19Å; Y25-F74 HydrophobicContact CG-CD2 4.5Å; Y25-F74 HydrophobicContact CG-CE1 4.14Å; Y25-F74 AromaticContact CG-CE2 3.7Å; Y25-F74 HydrophobicContact CG-CE2 3.7Å; Y25-F74 AromaticContact CG-CZ 3.48Å; Y25-F74 HydrophobicContact CG-CZ 3.48Å; Y25-F74 VanDerWaalsContact CG-CZ 3.48Å; Y25-F74 PolarHBondContact N-O 3.44Å; Y25-F74 PolarHBondContact O-N 2.89Å; A63-F74 WeakPolarHBondContact O-CE1 3.23Å; M66-F74 HydrophobicContact CB-CE1 3.75Å; M66-F74 HydrophobicContact CB-CE2 4.44Å; M66-F74 HydrophobicContact CB-CZ 3.41Å; M66-F74 VanDerWaalsContact CB-CZ 3.41Å; M66-F74 HydrophobicContact CE-CZ 4.13Å; M66-F74 HydrophobicContact SD-CZ 4.49Å; F74-V81 HydrophobicContact CD2-CG1 3.42Å; F74-V81 VanDerWaalsContact CD2-CG1 3.42Å; F74-V81 HydrophobicContact CE2-CG1 3.82Å; F74-V81 HydrophobicContact CG-CG1 4.3Å; F74-V82 CarbonylContact C-O 3.08Å; F74-V82 WeakPolarHBondContact CA-O 3.39Å; F74-V82 WeakPolarHBondContact CB-O 3.5Å
75	V	96.9	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.9	175.4	-62.6	0	0	0	0	110.5	T23 L24 V44 L48 V77 V81 V82 I88	T23-V75 CarbonylContact O-C 3.53Å; T23-V75 WeakPolarHBondContact O-CA 3.44Å; L24-V75 HydrophobicContact CD1-CG1 3.55Å; V44-V75 HydrophobicContact CG1-CG1 4.41Å; L48-V75 HydrophobicContact CD1-CG1 3.91Å; V75-V77 HydrophobicContact CB-CG2 4.09Å; V75-V77 HydrophobicContact CG2-CG2 4.12Å; V75-V81 WeakPolarHBondContact O-CA 3.43Å; V75-V82 HydrophobicContact CG2-CB 3.96Å; V75-V82 WeakPolarHBondContact CG2-O 3.36Å; V75-V82 PolarHBondContact N-O 3.17Å; V75-V82 PolarHBondContact O-N 3.24Å; V75-I88 HydrophobicContact CG1-CD1 4.08Å; V75-I88 HydrophobicContact CG2-CD1 4.25Å; V75-I88 HydrophobicContact CG2-CG1 4Å
76	H	95.6	Very high	93.6	Very high	73 Å²	73	41.8 Å²	41.8	34%	0.338	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.8	168.9	-177.6	-73.3	0	0	0	108.3	T23 Y25 G78 Q80	T23-H76 PolarHBondContact N-O 2.93Å; T23-H76 PolarHBondContact O-N 2.94Å; Y25-H76 HydrophobicContact CD2-CB 4.16Å; Y25-H76 HydrophobicContact CE2-CB 3.72Å; H76-G78 PolarHBondContact CE1-O 3.46Å; H76-Q80 WeakPolarHBondContact CA-O 3.27Å
77	V	93.9	Very high	93.7	Very high	3 Å²	3	41 Å²	41	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	108.2	-172.9	-176.2	0	0	0	0	108.9	W18 P19 A22 V75 N79 Q80 F91	W18-V77 HydrophobicContact CD2-CG1 4.44Å; W18-V77 HydrophobicContact CE3-CG1 4.26Å; W18-V77 HydrophobicContact CH2-CG2 3.72Å; W18-V77 HydrophobicContact CZ2-CG2 3.94Å; W18-V77 HydrophobicContact CZ3-CG1 4.35Å; W18-V77 HydrophobicContact CZ3-CG2 4.12Å; P19-V77 HydrophobicContact CG-CG1 3.71Å; A22-V77 HydrophobicContact CB-CG2 4.03Å; V75-V77 HydrophobicContact CB-CG2 4.09Å; V75-V77 HydrophobicContact CG2-CG2 4.12Å; V77-N79 PolarHBondContact O-N 3.44Å; V77-Q80 PolarHBondContact N-O 2.71Å; V77-Q80 PolarHBondContact O-N 3.13Å; V77-F91 HydrophobicContact CB-CE1 3.75Å; V77-F91 HydrophobicContact CB-CZ 3.88Å; V77-F91 HydrophobicContact CG1-CE1 3.95Å; V77-F91 HydrophobicContact CG1-CZ 4.04Å; V77-F91 HydrophobicContact CG2-CE1 3.96Å
78	G	88.6	Confident	93.9	Very high	27 Å²	27	40.5 Å²	40.5	28%	0.278	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-122.6	-170.4	0	0	0	0	0	110.7	H76	H76-G78 PolarHBondContact CE1-O 3.46Å
79	N	87.4	Confident	94.2	Very high	158 Å²	158	37.1 Å²	37.1	85%	0.845	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	9.3	177.5	-64.9	-19.2	0	0	0	113.7	V77	V77-N79 PolarHBondContact O-N 3.44Å
80	Q	91.8	Very high	94.3	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.234	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.9	-174.3	-62.3	-68.4	-31.1	0	0	110.7	H76 V77 F91	H76-Q80 WeakPolarHBondContact CA-O 3.27Å; V77-Q80 PolarHBondContact N-O 2.71Å; V77-Q80 PolarHBondContact O-N 3.13Å; Q80-F91 HydrophobicContact CB-CE2 3.78Å; Q80-F91 HydrophobicContact CB-CZ 3.93Å; Q80-F91 HydrophobicContact CG-CE2 3.95Å; Q80-F91 HydrophobicContact CG-CZ 4.39Å
81	V	94.6	Very high	94.5	Very high	55 Å²	55	39.2 Å²	39.2	33%	0.333	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.4	174.4	-171.3	0	0	0	0	108	P68 F74 V75	P68-V81 HydrophobicContact CG-CG1 4.16Å; F74-V81 HydrophobicContact CD2-CG1 3.42Å; F74-V81 VanDerWaalsContact CD2-CG1 3.42Å; F74-V81 HydrophobicContact CE2-CG1 3.82Å; F74-V81 HydrophobicContact CG-CG1 4.3Å; V75-V81 WeakPolarHBondContact O-CA 3.43Å
82	V	95.9	Very high	94.6	Very high	16 Å²	16	33.9 Å²	33.9	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.2	-173.7	-170.9	0	0	0	0	109.6	F74 V75 P87 I88 F91	F74-V82 CarbonylContact C-O 3.08Å; F74-V82 WeakPolarHBondContact CA-O 3.39Å; F74-V82 WeakPolarHBondContact CB-O 3.5Å; V75-V82 HydrophobicContact CG2-CB 3.96Å; V75-V82 WeakPolarHBondContact CG2-O 3.36Å; V75-V82 PolarHBondContact N-O 3.17Å; V75-V82 PolarHBondContact O-N 3.24Å; V82-P87 HydrophobicContact CG1-CB 3.69Å; V82-I88 HydrophobicContact CB-CG1 4.28Å; V82-I88 HydrophobicContact CG1-CG1 3.9Å; V82-F91 HydrophobicContact CG1-CB 4.31Å; V82-F91 HydrophobicContact CG2-CB 4.22Å; V82-F91 HydrophobicContact CG2-CD1 4.3Å; V82-F91 HydrophobicContact CG2-CD2 3.92Å; V82-F91 HydrophobicContact CG2-CE2 4.33Å; V82-F91 HydrophobicContact CG2-CG 3.88Å
83	S	95.6	Very high	94.6	Very high	9 Å²	9	38 Å²	38	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.7	-179.9	53.7	0	0	0	0	111.3	S67 S69 P87	S67-S83 WeakPolarHBondContact OG-CB 3.44Å; S69-S83 WeakPolarHBondContact CB-OG 3.33Å; S69-S83 PolarHBondContact OG-OG 3.26Å; S83-P87 WeakPolarHBondContact O-CB 3.31Å; S83-P87 WeakPolarHBondContact O-CG 3.41Å
84	E	94.6	Very high	94.3	Very high	65 Å²	65	39 Å²	39	30%	0.304	22%	0.218	S	C	.	.	S	Bend	trans	69.3	146.1	178.3	-55.3	165.9	83.4	0	0	114.1	S69 K71 P73 G86 P87 I88	S69-E84 WeakPolarHBondContact CB-OE2 3.49Å; S69-E84 PolarHBondContact OG-OE2 2.75Å; K71-E84 HydrophobicContact CB-CG 4.19Å; K71-E84 HydrophobicContact CD-CG 3.96Å; K71-E84 WeakPolarHBondContact CD-OE1 3.33Å; K71-E84 IonicContact NZ-OE1 3.76Å; K71-E84 PolarHBondContact NZ-OE1 2.81Å; K71-E84 IonicContact NZ-OE2 2.58Å; P73-E84 PolarHBondContact O-N 3.25Å; E84-G86 PolarHBondContact O-N 3.36Å; E84-P87 HydrophobicContact CB-CG 4.35Å; E84-P87 WeakPolarHBondContact O-CD 3.39Å; E84-I88 WeakPolarHBondContact O-CB 3.4Å; E84-I88 WeakPolarHBondContact O-CD1 3.44Å; E84-I88 WeakPolarHBondContact O-CG1 3.2Å; E84-I88 PolarHBondContact O-N 3.18Å; E84-I88 VanDerWaalsContact O-N 3.11Å
85	L	96.3	Very high	94	Very high	19 Å²	19	40.2 Å²	40.2	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-45.6	-173.3	-178.3	66.2	0	0	0	112.8	V44 Y47 I88 V89 M115 L214	V44-L85 HydrophobicContact CG2-CB 4.21Å; V44-L85 HydrophobicContact CG2-CD1 4.05Å; Y47-L85 HydrophobicContact CD1-CD1 4.14Å; Y47-L85 HydrophobicContact CG-CD1 3.9Å; L85-I88 PolarHBondContact O-N 3.29Å; L85-V89 HydrophobicContact CD1-CG2 4.09Å; L85-V89 HydrophobicContact CG-CG2 4.15Å; L85-V89 VanDerWaalsContact O-CG2 3.23Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.12Å; L85-M115 HydrophobicContact CD2-CE 4.09Å; L85-L214 HydrophobicContact CD2-CB 3.74Å; L85-L214 HydrophobicContact CD2-CD1 3.8Å; L85-L214 HydrophobicContact CD2-CG 4.22Å
86	G	95.1	Very high	93.7	Very high	34 Å²	34	43.3 Å²	43.3	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-55.3	-177.7	0	0	0	0	0	113.5	E84 I88 V89 Q90	E84-G86 PolarHBondContact O-N 3.36Å; G86-I88 VanDerWaalsContact C-N 3.3Å; G86-I88 PolarHBondContact O-N 2.95Å; G86-V89 WeakPolarHBondContact O-CB 3.44Å; G86-V89 PolarHBondContact O-N 3.06Å; G86-Q90 PolarHBondContact O-N 3.45Å; G86-Q90 VanDerWaalsContact O-N 3.1Å
87	P	96.1	Very high	93.6	Very high	53 Å²	53	42.7 Å²	42.7	34%	0.344	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-37.3	173.6	-26.5	35.6	0	0	0	113.5	V82 S83 E84 Q90 F91	V82-P87 HydrophobicContact CG1-CB 3.69Å; S83-P87 WeakPolarHBondContact O-CB 3.31Å; S83-P87 WeakPolarHBondContact O-CG 3.41Å; E84-P87 HydrophobicContact CB-CG 4.35Å; E84-P87 WeakPolarHBondContact O-CD 3.39Å; P87-Q90 PolarHBondContact O-N 2.85Å; P87-F91 WeakPolarHBondContact O-CB 3.44Å; P87-F91 PolarHBondContact O-N 3.39Å
88	I	96.8	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.7	-69.3	169.5	0	0	0	111.1	V44 Y47 L48 V75 V82 E84 L85 G86 Q90 F91 T92	V44-I88 HydrophobicContact CG1-CD1 3.71Å; V44-I88 HydrophobicContact CG2-CD1 3.91Å; Y47-I88 HydrophobicContact CD1-CG2 4.17Å; Y47-I88 HydrophobicContact CE1-CG2 4.16Å; L48-I88 HydrophobicContact CD2-CG2 4.28Å; V75-I88 HydrophobicContact CG1-CD1 4.08Å; V75-I88 HydrophobicContact CG2-CD1 4.25Å; V75-I88 HydrophobicContact CG2-CG1 4Å; V82-I88 HydrophobicContact CB-CG1 4.28Å; V82-I88 HydrophobicContact CG1-CG1 3.9Å; E84-I88 WeakPolarHBondContact O-CB 3.4Å; E84-I88 WeakPolarHBondContact O-CD1 3.44Å; E84-I88 WeakPolarHBondContact O-CG1 3.2Å; E84-I88 PolarHBondContact O-N 3.18Å; E84-I88 VanDerWaalsContact O-N 3.11Å; L85-I88 PolarHBondContact O-N 3.29Å; G86-I88 VanDerWaalsContact C-N 3.3Å; G86-I88 PolarHBondContact O-N 2.95Å; I88-Q90 VanDerWaalsContact C-N 3.32Å; I88-Q90 PolarHBondContact O-N 3.45Å; I88-F91 WeakPolarHBondContact O-CB 3.44Å; I88-F91 PolarHBondContact O-N 2.8Å; I88-T92 HydrophobicContact CG2-CG2 4.45Å; I88-T92 PolarHBondContact O-N 3.4Å; I88-T92 PolarHBondContact O-OG1 2.86Å
89	V	96.6	Very high	93.9	Very high	16 Å²	16	44 Å²	44	10%	0.097	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-41.1	175.9	170.7	0	0	0	0	111.3	Y47 L85 G86 F91 T92 K93 E210	Y47-V89 HydrophobicContact CD1-CG2 4.25Å; Y47-V89 HydrophobicContact CD2-CG2 4.12Å; Y47-V89 HydrophobicContact CE1-CB 4.44Å; Y47-V89 HydrophobicContact CE1-CG2 3.84Å; Y47-V89 HydrophobicContact CE2-CG2 3.72Å; Y47-V89 HydrophobicContact CG-CG2 4.38Å; L85-V89 HydrophobicContact CD1-CG2 4.09Å; L85-V89 HydrophobicContact CG-CG2 4.15Å; L85-V89 VanDerWaalsContact O-CG2 3.23Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.12Å; G86-V89 WeakPolarHBondContact O-CB 3.44Å; G86-V89 PolarHBondContact O-N 3.06Å; V89-F91 VanDerWaalsContact C-N 3.35Å; V89-T92 WeakPolarHBondContact CA-OG1 3.16Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-K93 VanDerWaalsContact O-CB 3.23Å; V89-K93 WeakPolarHBondContact O-CB 3.4Å; V89-K93 PolarHBondContact O-N 2.93Å; V89-E210 HydrophobicContact CG1-CB 4.47Å; V89-E210 HydrophobicContact CG1-CG 4.31Å; V89-E210 HydrophobicContact CG2-CB 3.77Å; V89-E210 HydrophobicContact CG2-CG 4.37Å
90	Q	94.6	Very high	94.2	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-39.3	176	-66.8	179.2	9.9	0	0	111.7	G86 P87 I88 K93 A94	G86-Q90 PolarHBondContact O-N 3.45Å; G86-Q90 VanDerWaalsContact O-N 3.1Å; P87-Q90 PolarHBondContact O-N 2.85Å; I88-Q90 VanDerWaalsContact C-N 3.32Å; I88-Q90 PolarHBondContact O-N 3.45Å; Q90-K93 PolarHBondContact O-N 2.6Å; Q90-A94 WeakPolarHBondContact O-CB 3.22Å; Q90-A94 PolarHBondContact O-N 3.45Å
91	F	94.1	Very high	94.2	Very high	9 Å²	9	39 Å²	39	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-47	179.5	175.8	-103.9	0	0	0	112.7	A13 W18 V77 Q80 V82 P87 I88 V89 K93 A94 K95	A13-F91 HydrophobicContact CB-CD2 3.85Å; A13-F91 HydrophobicContact CB-CE2 3.58Å; W18-F91 HydrophobicContact CZ3-CD1 4.12Å; W18-F91 AromaticContact CZ3-CE1 3.86Å; W18-F91 HydrophobicContact CZ3-CE1 3.86Å; V77-F91 HydrophobicContact CB-CE1 3.75Å; V77-F91 HydrophobicContact CB-CZ 3.88Å; V77-F91 HydrophobicContact CG1-CE1 3.95Å; V77-F91 HydrophobicContact CG1-CZ 4.04Å; V77-F91 HydrophobicContact CG2-CE1 3.96Å; Q80-F91 HydrophobicContact CB-CE2 3.78Å; Q80-F91 HydrophobicContact CB-CZ 3.93Å; Q80-F91 HydrophobicContact CG-CE2 3.95Å; Q80-F91 HydrophobicContact CG-CZ 4.39Å; V82-F91 HydrophobicContact CG1-CB 4.31Å; V82-F91 HydrophobicContact CG2-CB 4.22Å; V82-F91 HydrophobicContact CG2-CD1 4.3Å; V82-F91 HydrophobicContact CG2-CD2 3.92Å; V82-F91 HydrophobicContact CG2-CE2 4.33Å; V82-F91 HydrophobicContact CG2-CG 3.88Å; P87-F91 WeakPolarHBondContact O-CB 3.44Å; P87-F91 PolarHBondContact O-N 3.39Å; I88-F91 WeakPolarHBondContact O-CB 3.44Å; I88-F91 PolarHBondContact O-N 2.8Å; V89-F91 VanDerWaalsContact C-N 3.35Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 3.47Å; F91-A94 PolarHBondContact O-N 2.8Å; F91-K95 HydrophobicContact CE1-CD 3.98Å; F91-K95 HydrophobicContact CZ-CD 3.93Å; F91-K95 PolarHBondContact O-N 3.37Å
92	T	94.6	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-40.2	174.2	46.5	0	0	0	0	111.3	W18 Y47 L48 L53 I88 V89 A94 K95 G96 H97	W18-T92 HydrophobicContact CE3-CG2 4.39Å; W18-T92 HydrophobicContact CH2-CG2 4Å; W18-T92 HydrophobicContact CZ3-CG2 3.56Å; Y47-T92 HydrophobicContact CE1-CG2 3.92Å; Y47-T92 WeakPolarHBondContact CE1-OG1 3.32Å; Y47-T92 PolarHBondContact OH-OG1 2.97Å; L48-T92 HydrophobicContact CD2-CG2 4.07Å; L53-T92 HydrophobicContact CD1-CG2 3.68Å; I88-T92 HydrophobicContact CG2-CG2 4.45Å; I88-T92 PolarHBondContact O-N 3.4Å; I88-T92 PolarHBondContact O-OG1 2.86Å; V89-T92 WeakPolarHBondContact CA-OG1 3.16Å; V89-T92 PolarHBondContact O-OG1 3.34Å; T92-A94 PolarHBondContact O-N 3.49Å; T92-K95 CarbonylContact O-C 3.5Å; T92-K95 WeakPolarHBondContact O-CA 3.25Å; T92-K95 WeakPolarHBondContact O-CB 3.33Å; T92-K95 PolarHBondContact O-N 2.94Å; T92-G96 PolarHBondContact O-N 3.01Å; T92-H97 CarbonylContact C-O 3.4Å; T92-H97 PolarHBondContact O-N 2.71Å
93	K	93.4	Very high	93.9	Very high	96 Å²	96	39 Å²	39	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-43.1	175.2	-177.5	171.4	-173.3	173.9	0	112	V89 Q90 F91 K95 G96 H97	V89-K93 VanDerWaalsContact O-CB 3.23Å; V89-K93 WeakPolarHBondContact O-CB 3.4Å; V89-K93 PolarHBondContact O-N 2.93Å; Q90-K93 PolarHBondContact O-N 2.6Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 3.47Å; K93-K95 PolarHBondContact O-N 3.36Å; K93-G96 PolarHBondContact O-N 3.4Å; K93-H97 VanDerWaalsContact CA-O 3.28Å; K93-H97 WeakPolarHBondContact CA-O 3.3Å; K93-H97 PolarHBondContact N-O 3.32Å; K93-H97 VanDerWaalsContact N-O 3.1Å
94	A	91.3	Very high	93.8	Very high	23 Å²	23	42.7 Å²	42.7	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-26.2	174.7	0	0	0	0	0	112.6	A14 Q90 F91 T92 G96	A14-A94 WeakPolarHBondContact CA-O 3.44Å; A14-A94 WeakPolarHBondContact CB-O 3.38Å; Q90-A94 WeakPolarHBondContact O-CB 3.22Å; Q90-A94 PolarHBondContact O-N 3.45Å; F91-A94 PolarHBondContact O-N 2.8Å; T92-A94 PolarHBondContact O-N 3.49Å; A94-G96 VanDerWaalsContact C-N 3.33Å
95	K	89.9	Confident	93.8	Very high	28 Å²	28	46 Å²	46	12%	0.122	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.7	172.2	-71.7	-170.5	167.4	-62.3	0	114.4	A13 E16 W18 F91 T92 K93 H97	A13-K95 WeakPolarHBondContact O-CG 3.31Å; A13-K95 PolarHBondContact O-NZ 3.06Å; E16-K95 PolarHBondContact O-NZ 3.32Å; W18-K95 HydrophobicContact CE3-CD 3.98Å; W18-K95 HydrophobicContact CZ3-CD 4.49Å; F91-K95 HydrophobicContact CE1-CD 3.98Å; F91-K95 HydrophobicContact CZ-CD 3.93Å; F91-K95 PolarHBondContact O-N 3.37Å; T92-K95 CarbonylContact O-C 3.5Å; T92-K95 WeakPolarHBondContact O-CA 3.25Å; T92-K95 WeakPolarHBondContact O-CB 3.33Å; T92-K95 PolarHBondContact O-N 2.94Å; K93-K95 PolarHBondContact O-N 3.36Å; K95-H97 PolarHBondContact O-CD2 3.26Å
96	G	91.4	Very high	93.8	Very high	65 Å²	65	49.7 Å²	49.7	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	12.5	178	0	0	0	0	0	115.3	T92 K93 A94	T92-G96 PolarHBondContact O-N 3.01Å; K93-G96 PolarHBondContact O-N 3.4Å; A94-G96 VanDerWaalsContact C-N 3.33Å
97	H	93.4	Very high	93.8	Very high	61 Å²	61	50.3 Å²	50.3	28%	0.282	30%	0.298	S	S	.	.			trans	-115.5	111.2	179.3	-60.4	-85.3	0	0	0	110.9	L53 T92 K93 K95	L53-H97 HydrophobicContact CD1-CB 4.21Å; T92-H97 CarbonylContact C-O 3.4Å; T92-H97 PolarHBondContact O-N 2.71Å; K93-H97 VanDerWaalsContact CA-O 3.28Å; K93-H97 WeakPolarHBondContact CA-O 3.3Å; K93-H97 PolarHBondContact N-O 3.32Å; K93-H97 VanDerWaalsContact N-O 3.1Å; K95-H97 PolarHBondContact O-CD2 3.26Å
98	S	94.2	Very high	93.8	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	29%	0.291	C	S	.	.			trans	-144.2	131.2	-176.6	174.3	0	0	0	0	110.6	S100 D101	S98-S100 PolarHBondContact OG-N 2.94Å; S98-D101 WeakPolarHBondContact CB-OD1 3.38Å; S98-D101 WeakPolarHBondContact CB-OD2 3.39Å; S98-D101 VanDerWaalsContact OG-CG 3.24Å; S98-D101 PolarHBondContact OG-N 3.42Å; S98-D101 PolarHBondContact OG-OD1 2.88Å
99	L	95.1	Very high	93.8	Very high	32 Å²	32	53 Å²	53	17%	0.168	31%	0.314	C	S	.	.	S	Bend	trans	-85	-18	176.4	-59.9	179.9	0	0	0	112.2	Y47 M50 C51	Y47-L99 HydrophobicContact CD2-CD1 3.59Å; Y47-L99 HydrophobicContact CD2-CG 4.42Å; Y47-L99 HydrophobicContact CE2-CD1 3.61Å; Y47-L99 HydrophobicContact CE2-CG 3.95Å; M50-L99 HydrophobicContact CB-CD1 3.67Å; M50-L99 HydrophobicContact CB-CD2 4.17Å; M50-L99 HydrophobicContact SD-CD1 4.35Å; C51-L99 VanDerWaalsContact SG-CG 3.6Å
100	S	93.4	Very high	93.8	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.035	33%	0.328	C	S	.	.	S	Bend	trans	-107.3	16.8	-173.5	59.8	0	0	0	0	113.7	S98 G102 L103 R108 E210	S98-S100 PolarHBondContact OG-N 2.94Å; S100-G102 VanDerWaalsContact C-N 3.29Å; S100-G102 PolarHBondContact O-N 2.85Å; S100-L103 PolarHBondContact O-N 3.21Å; S100-R108 VanDerWaalsContact O-CZ 3.28Å; S100-R108 PolarHBondContact O-NH1 3.24Å; S100-R108 PolarHBondContact O-NH2 3.09Å; S100-R108 VanDerWaalsContact O-NH2 3.12Å; S100-E210 WeakPolarHBondContact CB-OE1 3.44Å; S100-E210 PolarHBondContact OG-OE1 3.37Å; S100-E210 PolarHBondContact OG-OE2 3.25Å
101	D	91	Very high	93.9	Very high	98 Å²	98	51.1 Å²	51.1	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29	177	-77.7	-4	0	0	0	112.7	S98 L103	S98-D101 WeakPolarHBondContact CB-OD1 3.38Å; S98-D101 WeakPolarHBondContact CB-OD2 3.39Å; S98-D101 VanDerWaalsContact OG-CG 3.24Å; S98-D101 PolarHBondContact OG-N 3.42Å; S98-D101 PolarHBondContact OG-OD1 2.88Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.38Å
102	G	89.4	Confident	94	Very high	64 Å²	64	57 Å²	57	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	2.2	175.9	0	0	0	0	0	115.4	S100	S100-G102 VanDerWaalsContact C-N 3.29Å; S100-G102 PolarHBondContact O-N 2.85Å
103	L	94.1	Very high	94.1	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.042	36%	0.356	C	S	.	.	S	Bend	trans	-91.3	138.9	177.4	-62	-176.5	0	0	0	111.4	S100 D101 Q107 R108 M111 F204 N205 T209	S100-L103 PolarHBondContact O-N 3.21Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.38Å; L103-Q107 HydrophobicContact CB-CB 4.03Å; L103-Q107 HydrophobicContact CD2-CB 4.1Å; L103-Q107 HydrophobicContact CG-CB 4.45Å; L103-R108 PolarHBondContact O-NH2 2.89Å; L103-M111 HydrophobicContact CD1-CB 4.5Å; L103-M111 HydrophobicContact CD1-CE 4.17Å; L103-M111 HydrophobicContact CD1-SD 3.67Å; L103-F204 HydrophobicContact CD1-CB 4.44Å; L103-F204 HydrophobicContact CD1-CG 4.37Å; L103-F204 HydrophobicContact CD2-CB 3.61Å; L103-F204 HydrophobicContact CD2-CD1 4.3Å; L103-F204 HydrophobicContact CD2-CG 4.18Å; L103-N205 WeakPolarHBondContact CD2-ND2 3.3Å; L103-T209 HydrophobicContact CD1-CG2 4.28Å
104	D	94.8	Very high	94.3	Very high	85 Å²	85	58.2 Å²	58.2	46%	0.455	35%	0.346	S	S	.	.			trans	-70	170.4	167	70.8	47.5	0	0	0	111.7	V106 Q107 R108	D104-V106 VanDerWaalsContact C-N 3.29Å; D104-V106 PolarHBondContact O-N 3.31Å; D104-V106 WeakPolarHBondContact OD1-CA 3.22Å; D104-V106 WeakPolarHBondContact OD1-CB 3.22Å; D104-V106 PolarHBondContact OD1-N 3.01Å; D104-Q107 PolarHBondContact O-N 3.42Å; D104-Q107 WeakPolarHBondContact OD1-CG 3.39Å; D104-Q107 PolarHBondContact OD1-N 3.42Å; D104-R108 VanDerWaalsContact O-CB 3.31Å; D104-R108 WeakPolarHBondContact O-CB 3.34Å; D104-R108 PolarHBondContact O-N 3.16Å
105	D	94.8	Very high	94.6	Very high	136 Å²	136	58.2 Å²	58.2	73%	0.727	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-32.2	-175.1	-70.1	-27.3	0	0	0	113.3	A109	D105-A109 WeakPolarHBondContact O-CB 3.41Å; D105-A109 PolarHBondContact O-N 3.44Å
106	V	96.4	Very high	95	Very high	96 Å²	96	61.9 Å²	61.9	58%	0.582	36%	0.36	S	S	*	.	H	α-helix	trans	-70.9	-50.1	178.3	177.8	0	0	0	0	109.3	D104 R108 A109 E110	D104-V106 VanDerWaalsContact C-N 3.29Å; D104-V106 PolarHBondContact O-N 3.31Å; D104-V106 WeakPolarHBondContact OD1-CA 3.22Å; D104-V106 WeakPolarHBondContact OD1-CB 3.22Å; D104-V106 PolarHBondContact OD1-N 3.01Å; V106-R108 VanDerWaalsContact C-N 3.26Å; V106-R108 PolarHBondContact O-N 3.3Å; V106-A109 WeakPolarHBondContact O-CB 3.38Å; V106-A109 PolarHBondContact O-N 2.95Å; V106-A109 VanDerWaalsContact O-N 3.09Å; V106-E110 HydrophobicContact CG1-CG 4.46Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.9Å
107	Q	95.5	Very high	95.3	Very high	47 Å²	47	61.3 Å²	61.3	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-39.9	176.2	-70.3	-179.1	-34.9	0	0	111.8	L103 D104 A109 E110 M111 F204	L103-Q107 HydrophobicContact CB-CB 4.03Å; L103-Q107 HydrophobicContact CD2-CB 4.1Å; L103-Q107 HydrophobicContact CG-CB 4.45Å; D104-Q107 PolarHBondContact O-N 3.42Å; D104-Q107 WeakPolarHBondContact OD1-CG 3.39Å; D104-Q107 PolarHBondContact OD1-N 3.42Å; Q107-A109 VanDerWaalsContact C-N 3.35Å; Q107-E110 PolarHBondContact O-N 3Å; Q107-M111 VanDerWaalsContact O-CB 3.28Å; Q107-M111 WeakPolarHBondContact O-CB 3.31Å; Q107-M111 PolarHBondContact O-N 3.23Å; Q107-F204 HydrophobicContact CB-CD1 3.79Å; Q107-F204 HydrophobicContact CB-CE1 3.99Å; Q107-F204 HydrophobicContact CG-CD1 4.06Å; Q107-F204 HydrophobicContact CG-CE1 4.4Å; Q107-F204 VanDerWaalsContact O-CE1 3.25Å; Q107-F204 WeakPolarHBondContact O-CE1 3.38Å
108	R	94.9	Very high	95.5	Very high	49 Å²	49	58.4 Å²	58.4	19%	0.185	33%	0.328	C	S	.	.	H	α-helix	trans	-66.3	-37.4	177.1	-161.4	-171.9	-56.9	-84.9	-4.4	111.8	S100 L103 D104 V106 M111 K112	S100-R108 VanDerWaalsContact O-CZ 3.28Å; S100-R108 PolarHBondContact O-NH1 3.24Å; S100-R108 PolarHBondContact O-NH2 3.09Å; S100-R108 VanDerWaalsContact O-NH2 3.12Å; L103-R108 PolarHBondContact O-NH2 2.89Å; D104-R108 VanDerWaalsContact O-CB 3.31Å; D104-R108 WeakPolarHBondContact O-CB 3.34Å; D104-R108 PolarHBondContact O-N 3.16Å; V106-R108 VanDerWaalsContact C-N 3.26Å; V106-R108 PolarHBondContact O-N 3.3Å; R108-M111 HydrophobicContact CG-CE 4.31Å; R108-K112 WeakPolarHBondContact O-CG 3.45Å; R108-K112 PolarHBondContact O-N 2.88Å
109	A	96.2	Very high	95.5	Very high	60 Å²	60	59.4 Å²	59.4	50%	0.496	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-44.3	174.4	0	0	0	0	0	111.7	D105 V106 Q107 M111 K112 A113	D105-A109 WeakPolarHBondContact O-CB 3.41Å; D105-A109 PolarHBondContact O-N 3.44Å; V106-A109 WeakPolarHBondContact O-CB 3.38Å; V106-A109 PolarHBondContact O-N 2.95Å; V106-A109 VanDerWaalsContact O-N 3.09Å; Q107-A109 VanDerWaalsContact C-N 3.35Å; A109-M111 PolarHBondContact O-N 3.37Å; A109-K112 PolarHBondContact O-N 2.89Å; A109-A113 PolarHBondContact O-N 3.23Å
110	E	96.6	Very high	95.4	Very high	84 Å²	84	62 Å²	62	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-44.5	175	-71.7	179.8	164.4	0	0	111.7	V106 Q107 K112 A113 Y114 F204	V106-E110 HydrophobicContact CG1-CG 4.46Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.9Å; Q107-E110 PolarHBondContact O-N 3Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.61Å; E110-A113 WeakPolarHBondContact O-CB 3.44Å; E110-A113 PolarHBondContact O-N 3.47Å; E110-Y114 VanDerWaalsContact O-CD2 3.3Å; E110-Y114 WeakPolarHBondContact O-CD2 3.32Å; E110-Y114 PolarHBondContact O-N 3.47Å; E110-F204 HydrophobicContact CB-CE1 3.84Å; E110-F204 HydrophobicContact CB-CZ 3.76Å
111	M	96.7	Very high	95.5	Very high	2 Å²	2	64 Å²	64	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-45	178.1	-179.2	-175.2	66.9	0	0	111	L103 Q107 R108 A109 A113 Y114 M115 F204 T209 E210 L211	L103-M111 HydrophobicContact CD1-CB 4.5Å; L103-M111 HydrophobicContact CD1-CE 4.17Å; L103-M111 HydrophobicContact CD1-SD 3.67Å; Q107-M111 VanDerWaalsContact O-CB 3.28Å; Q107-M111 WeakPolarHBondContact O-CB 3.31Å; Q107-M111 PolarHBondContact O-N 3.23Å; R108-M111 HydrophobicContact CG-CE 4.31Å; A109-M111 PolarHBondContact O-N 3.37Å; M111-A113 VanDerWaalsContact C-N 3.33Å; M111-A113 PolarHBondContact O-N 2.86Å; M111-Y114 PolarHBondContact O-N 2.92Å; M111-M115 HydrophobicContact CG-SD 4.49Å; M111-M115 WeakPolarHBondContact O-CG 3.46Å; M111-M115 PolarHBondContact O-N 3.17Å; M111-F204 VanDerWaalsContact CA-CZ 3.48Å; M111-F204 HydrophobicContact CB-CD2 4.15Å; M111-F204 HydrophobicContact CB-CE1 4.42Å; M111-F204 HydrophobicContact CB-CE2 3.55Å; M111-F204 HydrophobicContact CB-CZ 3.71Å; M111-F204 HydrophobicContact CG-CD2 4.31Å; M111-F204 HydrophobicContact CG-CE2 3.97Å; M111-F204 VanDerWaalsContact N-CZ 3.29Å; M111-T209 HydrophobicContact SD-CG2 4.37Å; M111-E210 HydrophobicContact CE-CG 3.98Å; M111-E210 WeakPolarHBondContact CE-OE1 3.49Å; M111-E210 HydrophobicContact SD-CG 3.94Å; M111-L211 HydrophobicContact CG-CB 3.85Å
112	K	96.3	Very high	95.8	Very high	133 Å²	133	59.4 Å²	59.4	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-59.8	-42.4	174.1	-72.8	177.7	179.3	-177.9	0	111.9	R108 A109 E110 Y114 M115 E116	R108-K112 WeakPolarHBondContact O-CG 3.45Å; R108-K112 PolarHBondContact O-N 2.88Å; A109-K112 PolarHBondContact O-N 2.89Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.61Å; K112-Y114 VanDerWaalsContact C-N 3.33Å; K112-Y114 PolarHBondContact O-N 2.96Å; K112-M115 PolarHBondContact O-N 2.97Å; K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.38Å
113	A	97.7	Very high	96.1	Very high	65 Å²	65	58 Å²	58	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-41.4	177	0	0	0	0	0	112.1	A109 E110 M111 E116 L117	A109-A113 PolarHBondContact O-N 3.23Å; E110-A113 WeakPolarHBondContact O-CB 3.44Å; E110-A113 PolarHBondContact O-N 3.47Å; M111-A113 VanDerWaalsContact C-N 3.33Å; M111-A113 PolarHBondContact O-N 2.86Å; A113-E116 PolarHBondContact O-N 2.91Å; A113-L117 PolarHBondContact O-N 3.45Å
114	Y	98.1	Very high	96.2	Very high	57 Å²	57	57.9 Å²	57.9	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-36.4	174.8	-82.1	-74	0	0	0	113.1	E110 M111 K112 E116 L117 V118 L193 R196 F204 L211	E110-Y114 VanDerWaalsContact O-CD2 3.3Å; E110-Y114 WeakPolarHBondContact O-CD2 3.32Å; E110-Y114 PolarHBondContact O-N 3.47Å; M111-Y114 PolarHBondContact O-N 2.92Å; K112-Y114 VanDerWaalsContact C-N 3.33Å; K112-Y114 PolarHBondContact O-N 2.96Å; Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.19Å; Y114-L117 HydrophobicContact CD1-CD2 4.11Å; Y114-L117 HydrophobicContact CE1-CD2 4.36Å; Y114-L117 WeakPolarHBondContact O-CB 3.35Å; Y114-L117 PolarHBondContact O-N 3.2Å; Y114-V118 WeakPolarHBondContact O-CG2 3.3Å; Y114-V118 PolarHBondContact O-N 3.06Å; Y114-L193 HydrophobicContact CD1-CD2 4.13Å; Y114-R196 HydrophobicContact CD2-CG 4.28Å; Y114-R196 HydrophobicContact CE1-CB 3.84Å; Y114-R196 HydrophobicContact CE1-CG 3.99Å; Y114-R196 HydrophobicContact CE2-CB 4.37Å; Y114-R196 HydrophobicContact CE2-CG 3.69Å; Y114-R196 WeakPolarHBondContact OH-CD 3.48Å; Y114-F204 HydrophobicContact CD2-CZ 4.37Å; Y114-L211 HydrophobicContact CG-CD2 4.26Å
115	M	97.7	Very high	96.3	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-42.2	173.4	-70.2	179.9	77.1	0	0	111.2	L85 M111 K112 L117 V118 N119 E210 L211 L214	L85-M115 HydrophobicContact CD2-CE 4.09Å; M111-M115 HydrophobicContact CG-SD 4.49Å; M111-M115 WeakPolarHBondContact O-CG 3.46Å; M111-M115 PolarHBondContact O-N 3.17Å; K112-M115 PolarHBondContact O-N 2.97Å; M115-L117 VanDerWaalsContact C-N 3.34Å; M115-V118 PolarHBondContact O-N 2.9Å; M115-N119 PolarHBondContact O-N 2.83Å; M115-N119 PolarHBondContact O-ND2 3.34Å; M115-E210 HydrophobicContact CE-CB 4.25Å; M115-E210 HydrophobicContact CE-CG 4.07Å; M115-E210 HydrophobicContact SD-CB 4.47Å; M115-E210 HydrophobicContact SD-CG 3.73Å; M115-L211 HydrophobicContact CG-CB 4.18Å; M115-L211 HydrophobicContact CG-CD1 3.87Å; M115-L214 HydrophobicContact CB-CD2 3.93Å; M115-L214 HydrophobicContact CE-CD2 4.19Å; M115-L214 HydrophobicContact CG-CD2 4.03Å
116	E	97.1	Very high	96.4	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-36.1	174.1	-69.4	-53.6	136.5	0	0	112.3	K112 A113 Y114 N119 N120	K112-E116 WeakPolarHBondContact O-CG 3.32Å; K112-E116 PolarHBondContact O-N 3.38Å; A113-E116 PolarHBondContact O-N 2.91Å; Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.19Å; E116-N119 PolarHBondContact O-N 3.17Å; E116-N120 VanDerWaalsContact O-CB 3.25Å; E116-N120 WeakPolarHBondContact O-CB 3.49Å; E116-N120 VanDerWaalsContact O-CG 3.29Å; E116-N120 PolarHBondContact O-N 3.01Å; E116-N120 PolarHBondContact O-ND2 3.41Å
117	L	97.3	Very high	96.4	Very high	53 Å²	53	44 Å²	44	28%	0.277	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-47.2	172.8	-179.1	65.9	0	0	0	111	A113 Y114 M115 N120 M121 A192	A113-L117 PolarHBondContact O-N 3.45Å; Y114-L117 HydrophobicContact CD1-CD2 4.11Å; Y114-L117 HydrophobicContact CE1-CD2 4.36Å; Y114-L117 WeakPolarHBondContact O-CB 3.35Å; Y114-L117 PolarHBondContact O-N 3.2Å; M115-L117 VanDerWaalsContact C-N 3.34Å; L117-N120 PolarHBondContact O-N 3.22Å; L117-M121 HydrophobicContact CD1-CG 3.79Å; L117-M121 HydrophobicContact CG-CG 4.46Å; L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.45Å; L117-M121 WeakPolarHBondContact O-CG 3.13Å; L117-M121 PolarHBondContact O-N 3.36Å; L117-A192 HydrophobicContact CD2-CB 4.02Å
118	V	97.6	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-45.6	178.6	172.6	0	0	0	0	111.3	Y114 M115 M121 L122 L123 L193 L211 L214 V215 H218	Y114-V118 WeakPolarHBondContact O-CG2 3.3Å; Y114-V118 PolarHBondContact O-N 3.06Å; M115-V118 PolarHBondContact O-N 2.9Å; V118-M121 PolarHBondContact O-N 3.2Å; V118-L122 HydrophobicContact CG1-CB 4.3Å; V118-L122 HydrophobicContact CG1-CD1 4.02Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CA 3.24Å; V118-L122 WeakPolarHBondContact O-CB 3.38Å; V118-L122 PolarHBondContact O-N 2.82Å; V118-L123 PolarHBondContact O-N 2.87Å; V118-L193 HydrophobicContact CG2-CD1 4.17Å; V118-L193 HydrophobicContact CG2-CD2 4.09Å; V118-L211 HydrophobicContact CG2-CD1 4.41Å; V118-L214 HydrophobicContact CB-CD2 3.95Å; V118-L214 HydrophobicContact CB-CG 4.32Å; V118-L214 HydrophobicContact CG1-CD1 4.41Å; V118-L214 HydrophobicContact CG1-CD2 3.9Å; V118-L214 HydrophobicContact CG1-CG 3.74Å; V118-V215 HydrophobicContact CG2-CG2 3.73Å; V118-H218 VanDerWaalsContact CG1-CD2 3.48Å; V118-H218 WeakPolarHBondContact CG1-CD2 3.37Å
119	N	94.4	Very high	96.5	Very high	46 Å²	46	40.5 Å²	40.5	25%	0.246	21%	0.214	C	C	.	.	I	π-helix	trans	-65	-40.8	178.1	-71.4	-32	0	0	0	112.5	M115 E116 L123 T124	M115-N119 PolarHBondContact O-N 2.83Å; M115-N119 PolarHBondContact O-ND2 3.34Å; E116-N119 PolarHBondContact O-N 3.17Å; N119-L123 WeakPolarHBondContact O-CB 3.46Å; N119-T124 PolarHBondContact O-N 2.85Å; N119-T124 PolarHBondContact O-OG1 3.33Å
120	N	93.8	Very high	96.5	Very high	85 Å²	85	37.8 Å²	37.8	46%	0.455	19%	0.192	S	C	.	.	I	π-helix	trans	-78.1	-23.9	-178	-71.5	-46.9	0	0	0	113.2	E116 L117 T124	E116-N120 VanDerWaalsContact O-CB 3.25Å; E116-N120 WeakPolarHBondContact O-CB 3.49Å; E116-N120 VanDerWaalsContact O-CG 3.29Å; E116-N120 PolarHBondContact O-N 3.01Å; E116-N120 PolarHBondContact O-ND2 3.41Å; L117-N120 PolarHBondContact O-N 3.22Å; N120-T124 WeakPolarHBondContact O-CB 3.5Å; N120-T124 PolarHBondContact O-OG1 3.37Å
121	M	95.2	Very high	96.5	Very high	49 Å²	49	33.9 Å²	33.9	24%	0.241	17%	0.173	C	C	.	.	I	π-helix	trans	-103	-64.8	179.5	-60.5	-61.8	128.4	0	0	111.8	L117 V118 A125 W174 D185 C189	L117-M121 HydrophobicContact CD1-CG 3.79Å; L117-M121 HydrophobicContact CG-CG 4.46Å; L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.45Å; L117-M121 WeakPolarHBondContact O-CG 3.13Å; L117-M121 PolarHBondContact O-N 3.36Å; V118-M121 PolarHBondContact O-N 3.2Å; M121-A125 WeakPolarHBondContact O-CB 3.47Å; M121-A125 PolarHBondContact O-N 3.06Å; M121-W174 HydrophobicContact SD-CZ2 4.49Å; M121-D185 HydrophobicContact SD-CB 4.34Å; M121-C189 HydrophobicContact CB-CB 3.64Å; M121-C189 HydrophobicContact CG-CB 3.98Å
122	L	96.5	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-70	-55.3	-172.2	-56.6	-171.5	0	0	0	112	V118 T124 A125 E126 V186 C189 L193 H218 L219	V118-L122 HydrophobicContact CG1-CB 4.3Å; V118-L122 HydrophobicContact CG1-CD1 4.02Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CA 3.24Å; V118-L122 WeakPolarHBondContact O-CB 3.38Å; V118-L122 PolarHBondContact O-N 2.82Å; L122-T124 PolarHBondContact O-N 3.47Å; L122-A125 PolarHBondContact O-N 3.33Å; L122-A125 VanDerWaalsContact O-N 3.16Å; L122-E126 VanDerWaalsContact O-CG 3.29Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.1Å; L122-V186 HydrophobicContact CD2-CB 4.34Å; L122-V186 HydrophobicContact CD2-CG1 3.63Å; L122-V186 HydrophobicContact CD2-CG2 4.2Å; L122-C189 HydrophobicContact CD2-CB 4.27Å; L122-L193 HydrophobicContact CD1-CD1 4.39Å; L122-H218 HydrophobicContact CB-CB 4.11Å; L122-H218 HydrophobicContact CD1-CB 3.73Å; L122-L219 HydrophobicContact CD1-CD2 3.97Å
123	L	95.8	Very high	96.4	Very high	36 Å²	36	29.6 Å²	29.6	19%	0.188	16%	0.158	C	C	.	.	I	π-helix	trans	-61	-36.9	179.3	173.3	63.2	0	0	0	111.7	V118 N119 L127	V118-L123 PolarHBondContact O-N 2.87Å; N119-L123 WeakPolarHBondContact O-CB 3.46Å; L123-L127 HydrophobicContact CD1-CD1 4.41Å; L123-L127 HydrophobicContact CD1-CG 4.45Å; L123-L127 HydrophobicContact CG-CD1 4.34Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.09Å; L123-L127 VanDerWaalsContact O-N 3.07Å
124	T	96.7	Very high	96.2	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-41.6	177.4	-63.9	0	0	0	0	111.7	N119 N120 L122 L127 Y128 M169 I172 W174	N119-T124 PolarHBondContact O-N 2.85Å; N119-T124 PolarHBondContact O-OG1 3.33Å; N120-T124 WeakPolarHBondContact O-CB 3.5Å; N120-T124 PolarHBondContact O-OG1 3.37Å; L122-T124 PolarHBondContact O-N 3.47Å; T124-L127 PolarHBondContact O-N 3.49Å; T124-Y128 WeakPolarHBondContact O-CB 2.99Å; T124-Y128 PolarHBondContact O-N 3.46Å; T124-M169 HydrophobicContact CG2-CE 4.11Å; T124-M169 HydrophobicContact CG2-SD 3.88Å; T124-I172 HydrophobicContact CG2-CD1 3.33Å; T124-W174 HydrophobicContact CG2-CD2 3.84Å; T124-W174 HydrophobicContact CG2-CE3 3.8Å; T124-W174 HydrophobicContact CG2-CH2 3.93Å; T124-W174 HydrophobicContact CG2-CZ2 3.97Å; T124-W174 HydrophobicContact CG2-CZ3 3.84Å
125	A	96.6	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-42.7	173.8	0	0	0	0	0	112.4	M121 L122 L127 Y128 I129 W174 V182 V186	M121-A125 WeakPolarHBondContact O-CB 3.47Å; M121-A125 PolarHBondContact O-N 3.06Å; L122-A125 PolarHBondContact O-N 3.33Å; L122-A125 VanDerWaalsContact O-N 3.16Å; A125-L127 PolarHBondContact O-N 2.98Å; A125-Y128 WeakPolarHBondContact O-CB 3.37Å; A125-Y128 PolarHBondContact O-N 2.97Å; A125-I129 WeakPolarHBondContact O-CD1 3.48Å; A125-I129 VanDerWaalsContact O-CG1 3.26Å; A125-I129 WeakPolarHBondContact O-CG1 3.29Å; A125-I129 PolarHBondContact O-N 2.93Å; A125-W174 HydrophobicContact CB-CH2 4.29Å; A125-W174 HydrophobicContact CB-CZ3 4.2Å; A125-V182 HydrophobicContact CB-CG1 3.59Å; A125-V186 HydrophobicContact CB-CG2 3.33Å
126	E	96.5	Very high	95.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-46.9	175.5	-68.8	166.6	177.5	0	0	111.4	L35 S36 L122 Y128 I129 Q130 H218 I222	L35-E126 HydrophobicContact CD2-CB 3.89Å; L35-E126 HydrophobicContact CD2-CG 3.69Å; L35-E126 HydrophobicContact CG-CB 4.31Å; L35-E126 HydrophobicContact CG-CG 4.03Å; S36-E126 WeakPolarHBondContact CA-OE2 3.36Å; L122-E126 VanDerWaalsContact O-CG 3.29Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.1Å; E126-Y128 VanDerWaalsContact C-N 3.33Å; E126-Y128 PolarHBondContact O-N 3.16Å; E126-I129 PolarHBondContact O-N 3.31Å; E126-Q130 WeakPolarHBondContact O-CB 3.49Å; E126-Q130 WeakPolarHBondContact O-CG 3.39Å; E126-Q130 PolarHBondContact O-N 2.89Å; E126-Q130 PolarHBondContact O-OE1 3.38Å; E126-H218 IonicContact OE1-CE1 2.71Å; E126-H218 IonicContact OE1-CG 3.84Å; E126-H218 IonicContact OE1-ND1 3.34Å; E126-H218 PolarHBondContact OE1-ND1 3.44Å; E126-H218 IonicContact OE2-CE1 3.87Å; E126-H218 PolarHBondContact OE2-CE1 3.05Å; E126-H218 IonicContact OE2-ND1 2.83Å; E126-H218 PolarHBondContact OE2-ND1 3.32Å; E126-I222 HydrophobicContact CG-CD1 4.37Å; E126-I222 HydrophobicContact CG-CG1 4.35Å
127	L	96.6	Very high	95.7	Very high	24 Å²	24	25.8 Å²	25.8	13%	0.126	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-38.9	175.8	-72.9	170.1	0	0	0	112.3	L123 T124 A125 Q130 W131 V165 M169	L123-L127 HydrophobicContact CD1-CD1 4.41Å; L123-L127 HydrophobicContact CD1-CG 4.45Å; L123-L127 HydrophobicContact CG-CD1 4.34Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.09Å; L123-L127 VanDerWaalsContact O-N 3.07Å; T124-L127 PolarHBondContact O-N 3.49Å; A125-L127 PolarHBondContact O-N 2.98Å; L127-Q130 PolarHBondContact O-N 2.89Å; L127-W131 PolarHBondContact O-N 2.83Å; L127-W131 VanDerWaalsContact O-N 3.14Å; L127-V165 HydrophobicContact CB-CG1 4.13Å; L127-V165 HydrophobicContact CD2-CG2 4.49Å; L127-M169 HydrophobicContact CB-CE 3.54Å; L127-M169 HydrophobicContact CD1-CE 4.44Å
128	Y	97.4	Very high	95.6	Very high	19 Å²	19	27 Å²	27	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-52.1	177	-173.3	-83.4	0	0	0	111	T124 A125 E126 Q130 W131 C132 D133 M169 W174 K177 L179 V182	T124-Y128 WeakPolarHBondContact O-CB 2.99Å; T124-Y128 PolarHBondContact O-N 3.46Å; A125-Y128 WeakPolarHBondContact O-CB 3.37Å; A125-Y128 PolarHBondContact O-N 2.97Å; E126-Y128 VanDerWaalsContact C-N 3.33Å; E126-Y128 PolarHBondContact O-N 3.16Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 3.05Å; Y128-W131 PolarHBondContact O-N 3.19Å; Y128-C132 HydrophobicContact CD1-CB 4.07Å; Y128-C132 HydrophobicContact CD2-CB 3.71Å; Y128-C132 HydrophobicContact CE1-CB 3.96Å; Y128-C132 HydrophobicContact CE2-CB 3.55Å; Y128-C132 HydrophobicContact CG-CB 3.95Å; Y128-C132 WeakPolarHBondContact O-CA 3.29Å; Y128-C132 WeakPolarHBondContact O-CB 3.42Å; Y128-C132 PolarHBondContact O-N 2.76Å; Y128-D133 PolarHBondContact O-N 3.32Å; Y128-M169 HydrophobicContact CD2-CG 4.02Å; Y128-M169 HydrophobicContact CD2-SD 4.15Å; Y128-W174 HydrophobicContact CD2-CB 4.39Å; Y128-W174 AromaticContact CD2-CE3 4Å; Y128-W174 HydrophobicContact CD2-CE3 4Å; Y128-W174 WeakPolarHBondContact CE2-O 3.43Å; Y128-W174 HydrophobicContact CG-CE3 4.22Å; Y128-K177 PolarHBondContact OH-O 2.83Å; Y128-L179 HydrophobicContact CD1-CD2 4.29Å; Y128-L179 HydrophobicContact CE1-CD2 4.19Å; Y128-V182 HydrophobicContact CD1-CB 4.39Å; Y128-V182 HydrophobicContact CD1-CG1 4.37Å; Y128-V182 HydrophobicContact CD1-CG2 3.66Å; Y128-V182 HydrophobicContact CD2-CG2 4.34Å; Y128-V182 HydrophobicContact CE1-CG2 3.84Å; Y128-V182 HydrophobicContact CG-CG2 3.94Å
129	I	95.6	Very high	95.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-40.5	179.3	-67	161	0	0	0	110.3	A125 E126 T136 L179 Y183 L227 L232	A125-I129 WeakPolarHBondContact O-CD1 3.48Å; A125-I129 VanDerWaalsContact O-CG1 3.26Å; A125-I129 WeakPolarHBondContact O-CG1 3.29Å; A125-I129 PolarHBondContact O-N 2.93Å; E126-I129 PolarHBondContact O-N 3.31Å; I129-T136 HydrophobicContact CG2-CG2 4.26Å; I129-T136 WeakPolarHBondContact O-CB 3.36Å; I129-T136 VanDerWaalsContact O-CG2 3.32Å; I129-T136 WeakPolarHBondContact O-CG2 3.44Å; I129-L179 HydrophobicContact CG1-CD2 3.98Å; I129-Y183 HydrophobicContact CD1-CD1 4.48Å; I129-Y183 HydrophobicContact CD1-CE1 3.83Å; I129-Y183 HydrophobicContact CG1-CE1 4.22Å; I129-L227 HydrophobicContact CG2-CD1 4.45Å; I129-L232 HydrophobicContact CD1-CD2 3.57Å
130	Q	95.4	Very high	95.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-39.8	180	-74.2	167.9	-22.9	0	0	114.2	L34 L35 S36 E126 L127 Y128 A137 S141	L34-Q130 VanDerWaalsContact CB-NE2 3.27Å; L35-Q130 HydrophobicContact CB-CG 4.31Å; L35-Q130 VanDerWaalsContact CB-NE2 3.32Å; S36-Q130 VanDerWaalsContact OG-CD 3.31Å; S36-Q130 PolarHBondContact OG-NE2 3.04Å; S36-Q130 PolarHBondContact OG-OE1 2.89Å; E126-Q130 WeakPolarHBondContact O-CB 3.49Å; E126-Q130 WeakPolarHBondContact O-CG 3.39Å; E126-Q130 PolarHBondContact O-N 2.89Å; E126-Q130 PolarHBondContact O-OE1 3.38Å; L127-Q130 PolarHBondContact O-N 2.89Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 3.05Å; Q130-A137 VanDerWaalsContact O-CA 3.24Å; Q130-A137 WeakPolarHBondContact O-CA 3.42Å; Q130-A137 WeakPolarHBondContact O-CB 3.39Å; Q130-S141 WeakPolarHBondContact CA-OG 3.4Å; Q130-S141 WeakPolarHBondContact O-CB 3.33Å; Q130-S141 PolarHBondContact O-OG 3Å
131	W	96.8	Very high	95.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-124.5	-19.4	-162.9	-64.2	104.1	0	0	0	114.8	L34 L127 Y128 R142 Y145 A158 K161 Q162 V165 R166	L34-W131 HydrophobicContact CD1-CZ2 3.62Å; L127-W131 PolarHBondContact O-N 2.83Å; L127-W131 VanDerWaalsContact O-N 3.14Å; Y128-W131 PolarHBondContact O-N 3.19Å; W131-R142 HydrophobicContact CZ3-CG 4Å; W131-Y145 HydrophobicContact CH2-CD1 4.15Å; W131-Y145 HydrophobicContact CH2-CD2 4.27Å; W131-Y145 AromaticContact CH2-CG 3.81Å; W131-Y145 HydrophobicContact CH2-CG 3.81Å; W131-Y145 HydrophobicContact CZ2-CD2 4.2Å; W131-Y145 HydrophobicContact CZ2-CG 4.19Å; W131-A158 WeakPolarHBondContact CZ3-O 3.33Å; W131-K161 HydrophobicContact CH2-CB 3.89Å; W131-K161 HydrophobicContact CH2-CG 3.71Å; W131-K161 HydrophobicContact CZ2-CB 4.17Å; W131-K161 HydrophobicContact CZ2-CG 3.45Å; W131-K161 VanDerWaalsContact CZ2-CG 3.45Å; W131-K161 HydrophobicContact CZ3-CB 4.27Å; W131-K161 HydrophobicContact CZ3-CG 4.37Å; W131-Q162 HydrophobicContact CB-CG 4.38Å; W131-Q162 HydrophobicContact CE3-CB 3.56Å; W131-Q162 HydrophobicContact CE3-CG 3.91Å; W131-Q162 HydrophobicContact CZ3-CB 3.97Å; W131-Q162 WeakPolarHBondContact O-CG 3.5Å; W131-Q162 PolarHBondContact O-NE2 2.91Å; W131-V165 HydrophobicContact CB-CB 3.82Å; W131-V165 HydrophobicContact CB-CG1 3.71Å; W131-V165 HydrophobicContact CB-CG2 4.33Å; W131-V165 HydrophobicContact CG-CB 4.02Å; W131-V165 HydrophobicContact CG-CG1 4.11Å; W131-V165 HydrophobicContact CG-CG2 3.97Å; W131-R166 PolarHBondContact O-NE 3.42Å
132	C	96.3	Very high	95.4	Very high	20 Å²	20	28.6 Å²	28.6	14%	0.135	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-33.9	177.7	-62	0	0	0	0	112.5	Y128 D134 M169	Y128-C132 HydrophobicContact CD1-CB 4.07Å; Y128-C132 HydrophobicContact CD2-CB 3.71Å; Y128-C132 HydrophobicContact CE1-CB 3.96Å; Y128-C132 HydrophobicContact CE2-CB 3.55Å; Y128-C132 HydrophobicContact CG-CB 3.95Å; Y128-C132 WeakPolarHBondContact O-CA 3.29Å; Y128-C132 WeakPolarHBondContact O-CB 3.42Å; Y128-C132 PolarHBondContact O-N 2.76Å; C132-D134 PolarHBondContact O-N 3.26Å; C132-M169 VanDerWaalsContact SG-CG 3.57Å
133	D	94.9	Very high	95.2	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	-71.7	114.8	167	173	47.9	0	0	0	110.1	Y128 T135 T136 A137 L179	Y128-D133 PolarHBondContact O-N 3.32Å; D133-T135 VanDerWaalsContact C-N 3.28Å; D133-T135 PolarHBondContact O-N 3.07Å; D133-T136 PolarHBondContact O-N 3.27Å; D133-T136 WeakPolarHBondContact OD2-CB 3.5Å; D133-T136 PolarHBondContact OD2-N 3.34Å; D133-T136 PolarHBondContact OD2-OG1 3.06Å; D133-A137 WeakPolarHBondContact O-CB 3.48Å; D133-A137 PolarHBondContact O-N 3.27Å; D133-L179 HydrophobicContact CB-CD1 4.17Å; D133-L179 HydrophobicContact CB-CD2 4.17Å; D133-L179 HydrophobicContact CB-CG 4.46Å
134	D	93.6	Very high	95.1	Very high	98 Å²	98	34.2 Å²	34.2	52%	0.524	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-33.1	-173.5	-75.7	-41.3	0	0	0	112.4	C132 T138 R166	C132-D134 PolarHBondContact O-N 3.26Å; D134-T138 VanDerWaalsContact O-CB 3.27Å; D134-T138 WeakPolarHBondContact O-CB 3.49Å; D134-T138 PolarHBondContact O-N 3.2Å; D134-T138 PolarHBondContact O-OG1 3.28Å; D134-R166 IonicContact OD1-CZ 2.8Å; D134-R166 IonicContact OD1-NH2 3.65Å; D134-R166 PolarHBondContact OD1-NH2 3.28Å
135	T	94.1	Very high	94.9	Very high	70 Å²	70	35.2 Å²	35.2	43%	0.429	18%	0.182	S	C	.	.	H	α-helix	trans	-65.4	-56.9	177.7	-51	0	0	0	0	110	D133 A137 T138 E139 T228	D133-T135 VanDerWaalsContact C-N 3.28Å; D133-T135 PolarHBondContact O-N 3.07Å; T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.83Å; T135-T138 PolarHBondContact O-N 3.5Å; T135-E139 WeakPolarHBondContact O-CB 3.41Å; T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.21Å; T135-T228 HydrophobicContact CG2-CG2 4.19Å
136	T	94.2	Very high	94.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.2	-57.2	0	0	0	0	112	I129 D133 T138 I140 S141 T228	I129-T136 HydrophobicContact CG2-CG2 4.26Å; I129-T136 WeakPolarHBondContact O-CB 3.36Å; I129-T136 VanDerWaalsContact O-CG2 3.32Å; I129-T136 WeakPolarHBondContact O-CG2 3.44Å; D133-T136 PolarHBondContact O-N 3.27Å; D133-T136 WeakPolarHBondContact OD2-CB 3.5Å; D133-T136 PolarHBondContact OD2-N 3.34Å; D133-T136 PolarHBondContact OD2-OG1 3.06Å; T136-T138 VanDerWaalsContact C-N 3.31Å; T136-T138 PolarHBondContact O-N 3.48Å; T136-I140 HydrophobicContact CG2-CB 4.31Å; T136-I140 HydrophobicContact CG2-CD1 4.42Å; T136-I140 WeakPolarHBondContact O-CA 3.48Å; T136-I140 WeakPolarHBondContact O-CB 3.5Å; T136-I140 PolarHBondContact O-N 3.32Å; T136-S141 PolarHBondContact O-N 3.26Å; T136-T228 WeakPolarHBondContact OG1-CG2 3.18Å; T136-T228 PolarHBondContact OG1-OG1 2.8Å
137	A	95.3	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-61.5	-39.9	178.1	0	0	0	0	0	112.3	Q130 D133 T135 R142	Q130-A137 VanDerWaalsContact O-CA 3.24Å; Q130-A137 WeakPolarHBondContact O-CA 3.42Å; Q130-A137 WeakPolarHBondContact O-CB 3.39Å; D133-A137 WeakPolarHBondContact O-CB 3.48Å; D133-A137 PolarHBondContact O-N 3.27Å; T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.83Å; A137-R142 VanDerWaalsContact O-CB 3.26Å; A137-R142 WeakPolarHBondContact O-CB 3.29Å; A137-R142 VanDerWaalsContact O-CG 3.24Å; A137-R142 WeakPolarHBondContact O-CG 3.19Å; A137-R142 PolarHBondContact O-N 3.45Å
138	T	94.9	Very high	94.2	Very high	80 Å²	80	39.6 Å²	39.6	49%	0.491	21%	0.214	S	C	.	.	I	π-helix	trans	-80.9	-43.1	-177.6	-57.2	0	0	0	0	112.4	D134 T135 T136 P143	D134-T138 VanDerWaalsContact O-CB 3.27Å; D134-T138 WeakPolarHBondContact O-CB 3.49Å; D134-T138 PolarHBondContact O-N 3.2Å; D134-T138 PolarHBondContact O-OG1 3.28Å; T135-T138 PolarHBondContact O-N 3.5Å; T136-T138 VanDerWaalsContact C-N 3.31Å; T136-T138 PolarHBondContact O-N 3.48Å; T138-P143 VanDerWaalsContact O-CD 3.25Å; T138-P143 WeakPolarHBondContact O-CD 3.34Å; T138-P143 WeakPolarHBondContact O-CG 3.42Å
139	E	93.3	Very high	93.8	Very high	132 Å²	132	40.5 Å²	40.5	62%	0.617	22%	0.217	S	C	*	.	I	π-helix	trans	-84.8	-29.9	-173.4	-65.3	-176.5	179.2	0	0	113.4	T135	T135-E139 WeakPolarHBondContact O-CB 3.41Å; T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.21Å
140	I	92.6	Very high	93.6	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.215	25%	0.247	C	C	.	.	I	π-helix	trans	-120.8	-60.9	-172	-56.6	-176.7	0	0	0	111.5	T136 P143 R144 T228	T136-I140 HydrophobicContact CG2-CB 4.31Å; T136-I140 HydrophobicContact CG2-CD1 4.42Å; T136-I140 WeakPolarHBondContact O-CA 3.48Å; T136-I140 WeakPolarHBondContact O-CB 3.5Å; T136-I140 PolarHBondContact O-N 3.32Å; I140-P143 WeakPolarHBondContact O-CD 3.42Å; I140-R144 WeakPolarHBondContact O-CB 3.5Å; I140-R144 VanDerWaalsContact O-CG 3.3Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 3.43Å; I140-R144 VanDerWaalsContact O-N 3.12Å; I140-T228 HydrophobicContact CD1-CG2 3.82Å; I140-T228 HydrophobicContact CG1-CG2 4.4Å
141	S	94.8	Very high	93.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	28%	0.283	C	S	.	.	I	π-helix	trans	-70	-49.8	-164.5	-52	0	0	0	0	113.1	Q130 T136 R144 Y145	Q130-S141 WeakPolarHBondContact CA-OG 3.4Å; Q130-S141 WeakPolarHBondContact O-CB 3.33Å; Q130-S141 PolarHBondContact O-OG 3Å; T136-S141 PolarHBondContact O-N 3.26Å; S141-R144 PolarHBondContact O-N 3.49Å; S141-Y145 WeakPolarHBondContact O-CB 3.47Å; S141-Y145 PolarHBondContact O-N 3.25Å
142	R	95.2	Very high	93.4	Very high	37 Å²	37	57.3 Å²	57.3	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-46.3	179.4	-71.4	174	59.5	-162.6	-5	112	W131 A137 R144 Y145 S146 A158 Y159	W131-R142 HydrophobicContact CZ3-CG 4Å; A137-R142 VanDerWaalsContact O-CB 3.26Å; A137-R142 WeakPolarHBondContact O-CB 3.29Å; A137-R142 VanDerWaalsContact O-CG 3.24Å; A137-R142 WeakPolarHBondContact O-CG 3.19Å; A137-R142 PolarHBondContact O-N 3.45Å; R142-R144 PolarHBondContact O-N 2.96Å; R142-Y145 PolarHBondContact O-N 3.15Å; R142-S146 WeakPolarHBondContact O-CB 3.49Å; R142-S146 PolarHBondContact O-N 2.96Å; R142-S146 PolarHBondContact O-OG 3.28Å; R142-A158 HydrophobicContact CB-CB 4.26Å; R142-A158 HydrophobicContact CG-CB 4.08Å; R142-Y159 VanDerWaalsContact NH1-CZ 3.33Å; R142-Y159 PolarHBondContact NH1-OH 3.39Å; R142-Y159 PolarHBondContact NH2-OH 3.32Å
143	P	93.9	Very high	93.2	Very high	68 Å²	68	60.2 Å²	60.2	44%	0.442	32%	0.316	S	S	.	.	H	α-helix	trans	-56.7	-46.8	175.3	-28.4	36.4	0	0	0	113.4	T138 I140 S146 S147	T138-P143 VanDerWaalsContact O-CD 3.25Å; T138-P143 WeakPolarHBondContact O-CD 3.34Å; T138-P143 WeakPolarHBondContact O-CG 3.42Å; I140-P143 WeakPolarHBondContact O-CD 3.42Å; P143-S146 PolarHBondContact O-N 3.22Å; P143-S147 PolarHBondContact O-N 2.58Å; P143-S147 VanDerWaalsContact O-N 3.14Å
144	R	93.1	Very high	93.1	Very high	87 Å²	87	60.5 Å²	60.5	33%	0.328	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-50.9	179	-74.5	-179.1	173	-83.2	-12.1	112.1	E30 D31 L34 I140 S141 R142 S146 S147	E30-R144 PolarHBondContact O-NH1 2.97Å; D31-R144 WeakPolarHBondContact O-CA 3.3Å; L34-R144 HydrophobicContact CD2-CB 3.77Å; I140-R144 WeakPolarHBondContact O-CB 3.5Å; I140-R144 VanDerWaalsContact O-CG 3.3Å; I140-R144 WeakPolarHBondContact O-CG 3.42Å; I140-R144 PolarHBondContact O-N 3.43Å; I140-R144 VanDerWaalsContact O-N 3.12Å; S141-R144 PolarHBondContact O-N 3.49Å; R142-R144 PolarHBondContact O-N 2.96Å; R144-S146 VanDerWaalsContact C-N 3.25Å; R144-S146 PolarHBondContact O-N 3.45Å; R144-S147 PolarHBondContact O-N 3.37Å; R144-S147 PolarHBondContact O-OG 2.91Å
145	Y	93.1	Very high	93.1	Very high	25 Å²	25	59.5 Å²	59.5	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-33.5	179.7	-169.4	-100	0	0	0	112.6	L34 E64 W131 S141 R142 P148 Y149 L157 A158 K161	L34-Y145 HydrophobicContact CD1-CD2 4.19Å; E64-Y145 WeakPolarHBondContact OE2-CE2 3.12Å; E64-Y145 PolarHBondContact OE2-OH 2.71Å; W131-Y145 HydrophobicContact CH2-CD1 4.15Å; W131-Y145 HydrophobicContact CH2-CD2 4.27Å; W131-Y145 AromaticContact CH2-CG 3.81Å; W131-Y145 HydrophobicContact CH2-CG 3.81Å; W131-Y145 HydrophobicContact CZ2-CD2 4.2Å; W131-Y145 HydrophobicContact CZ2-CG 4.19Å; S141-Y145 WeakPolarHBondContact O-CB 3.47Å; S141-Y145 PolarHBondContact O-N 3.25Å; R142-Y145 PolarHBondContact O-N 3.15Å; Y145-P148 VanDerWaalsContact O-CD 3.26Å; Y145-P148 WeakPolarHBondContact O-CD 3.06Å; Y145-Y149 WeakPolarHBondContact O-CE2 3.37Å; Y145-L157 HydrophobicContact CE1-CB 4.06Å; Y145-A158 HydrophobicContact CD1-CB 4.07Å; Y145-K161 HydrophobicContact CD1-CB 4.36Å; Y145-K161 HydrophobicContact CE1-CB 3.85Å; Y145-K161 HydrophobicContact CE1-CG 4.29Å; Y145-K161 HydrophobicContact CE2-CD 4.36Å; Y145-K161 HydrophobicContact CE2-CG 4.12Å
146	S	92.4	Very high	93.2	Very high	12 Å²	12	60.8 Å²	60.8	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-79.6	-21.5	-178.4	-64.8	0	0	0	0	114.1	R142 P143 R144 P148 Y149 N154 A158	R142-S146 WeakPolarHBondContact O-CB 3.49Å; R142-S146 PolarHBondContact O-N 2.96Å; R142-S146 PolarHBondContact O-OG 3.28Å; P143-S146 PolarHBondContact O-N 3.22Å; R144-S146 VanDerWaalsContact C-N 3.25Å; R144-S146 PolarHBondContact O-N 3.45Å; S146-P148 VanDerWaalsContact C-N 3.35Å; S146-P148 WeakPolarHBondContact O-CD 3.31Å; S146-Y149 PolarHBondContact O-N 3.43Å; S146-N154 PolarHBondContact OG-O 2.78Å; S146-A158 WeakPolarHBondContact OG-CB 3.44Å
147	S	91.6	Very high	93.2	Very high	61 Å²	61	61.8 Å²	61.8	43%	0.427	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.5	-171.3	69.6	0	0	0	0	116.5	Q32 P143 R144 Y149	Q32-S147 WeakPolarHBondContact CG-OG 3.41Å; Q32-S147 PolarHBondContact NE2-OG 3.33Å; P143-S147 PolarHBondContact O-N 2.58Å; P143-S147 VanDerWaalsContact O-N 3.14Å; R144-S147 PolarHBondContact O-N 3.37Å; R144-S147 PolarHBondContact O-OG 2.91Å; S147-Y149 VanDerWaalsContact C-N 3.28Å; S147-Y149 PolarHBondContact O-N 3Å
148	P	89.1	Confident	93.1	Very high	46 Å²	46	61.8 Å²	61.8	30%	0.299	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.1	176.1	9.1	-1	0	0	0	114.6	Q32 Y145 S146	Q32-P148 HydrophobicContact CG-CG 4.25Å; Y145-P148 VanDerWaalsContact O-CD 3.26Å; Y145-P148 WeakPolarHBondContact O-CD 3.06Å; S146-P148 VanDerWaalsContact C-N 3.35Å; S146-P148 WeakPolarHBondContact O-CD 3.31Å
149	Y	89.1	Confident	93.2	Very high	38 Å²	38	63.8 Å²	63.8	15%	0.149	32%	0.318	C	S	.	.	S	Bend	trans	-113.7	147	-166.3	-49	-68.3	0	0	0	112.5	Y65 Y145 S146 S147 L153 N154 L157	Y65-Y149 AromaticContact CE2-CE1 3.78Å; Y65-Y149 HydrophobicContact CE2-CE1 3.78Å; Y65-Y149 AromaticContact CE2-CZ 3.83Å; Y65-Y149 WeakPolarHBondContact CE2-OH 3.28Å; Y65-Y149 PolarHBondContact OH-OH 2.85Å; Y145-Y149 WeakPolarHBondContact O-CE2 3.37Å; S146-Y149 PolarHBondContact O-N 3.43Å; S147-Y149 VanDerWaalsContact C-N 3.28Å; S147-Y149 PolarHBondContact O-N 3Å; Y149-L153 HydrophobicContact CD1-CD2 4.19Å; Y149-N154 WeakPolarHBondContact O-CB 3.21Å; Y149-L157 HydrophobicContact CD1-CD1 3.83Å; Y149-L157 HydrophobicContact CD2-CD1 3.78Å; Y149-L157 HydrophobicContact CE1-CD1 3.72Å; Y149-L157 HydrophobicContact CE2-CD1 3.66Å; Y149-L157 HydrophobicContact CG-CD1 3.86Å
150	S	92.8	Very high	93.3	Very high	91 Å²	91	62.9 Å²	62.9	64%	0.636	31%	0.313	S	S	*	.			trans	-81.2	159.8	171	60.2	0	0	0	0	111.8	L153 N154	S150-L153 PolarHBondContact O-N 3.22Å; S150-N154 PolarHBondContact O-N 3.24Å
151	W	92.6	Very high	93.4	Very high	206 Å²	206	62.8 Å²	62.8	78%	0.78	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	141.9	168.6	-174.6	88.9	0	0	0	110.7	N154	W151-N154 WeakPolarHBondContact CA-OD1 3.32Å
152	P	94.5	Very high	93.5	Very high	63 Å²	63	63.5 Å²	63.5	41%	0.409	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	-4.3	0.1	35.7	-35.8	0	0	0	114.5	N154 Q155 I156	P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 PolarHBondContact O-N 3.48Å; P152-Q155 PolarHBondContact O-N 3.32Å; P152-I156 HydrophobicContact CB-CD1 4.44Å; P152-I156 PolarHBondContact O-N 3.43Å
153	L	93.3	Very high	93.6	Very high	81 Å²	81	69.4 Å²	69.4	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-38.2	-173	-178	63.3	0	0	0	112.3	Y149 S150 Q155 I156 L157	Y149-L153 HydrophobicContact CD1-CD2 4.19Å; S150-L153 PolarHBondContact O-N 3.22Å; L153-Q155 PolarHBondContact O-N 3.41Å; L153-I156 PolarHBondContact O-N 3.01Å; L153-L157 HydrophobicContact CD1-CD1 3.83Å; L153-L157 HydrophobicContact CD1-CD2 4.19Å; L153-L157 HydrophobicContact CD1-CG 3.72Å; L153-L157 HydrophobicContact CD2-CD1 4.14Å; L153-L157 HydrophobicContact CG-CD1 3.65Å; L153-L157 HydrophobicContact CG-CG 3.99Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.21Å
154	N	92.6	Very high	93.7	Very high	32 Å²	32	71.4 Å²	71.4	17%	0.171	34%	0.341	C	S	.	.	H	α-helix	trans	-54.6	-47.1	179	67.7	-13.1	0	0	0	113.6	S146 Y149 S150 W151 P152 A158	S146-N154 PolarHBondContact OG-O 2.78Å; Y149-N154 WeakPolarHBondContact O-CB 3.21Å; S150-N154 PolarHBondContact O-N 3.24Å; W151-N154 WeakPolarHBondContact CA-OD1 3.32Å; P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 PolarHBondContact O-N 3.48Å; N154-A158 WeakPolarHBondContact O-CB 3.45Å; N154-A158 PolarHBondContact O-N 2.7Å; N154-A158 VanDerWaalsContact O-N 3.16Å
155	Q	93.4	Very high	93.9	Very high	77 Å²	77	67.6 Å²	67.6	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-47.5	177.7	-68.9	-68.4	-13.8	0	0	110.7	P152 L153 L157 A158 Y159	P152-Q155 PolarHBondContact O-N 3.32Å; L153-Q155 PolarHBondContact O-N 3.41Å; Q155-L157 PolarHBondContact O-N 3.32Å; Q155-A158 PolarHBondContact O-N 3.1Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.34Å; Q155-Y159 PolarHBondContact O-N 2.95Å
156	I	95.4	Very high	94.1	Very high	97 Å²	97	71 Å²	71	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-50.1	-177.2	-64.1	169.8	0	0	0	110.5	P152 L153 Y159 Q160	P152-I156 HydrophobicContact CB-CD1 4.44Å; P152-I156 PolarHBondContact O-N 3.43Å; L153-I156 PolarHBondContact O-N 3.01Å; I156-Y159 PolarHBondContact O-N 3.1Å; I156-Q160 VanDerWaalsContact O-CB 3.32Å; I156-Q160 WeakPolarHBondContact O-CB 3.33Å; I156-Q160 PolarHBondContact O-N 2.9Å
157	L	93.8	Very high	94.4	Very high	21 Å²	21	78.2 Å²	78.2	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-42	-178.9	-68.7	177.7	0	0	0	112.1	Y65 Y145 Y149 L153 Q155 Y159 Q160 K161	Y65-L157 VanDerWaalsContact OH-CD1 3.31Å; Y65-L157 WeakPolarHBondContact OH-CD1 3.46Å; Y145-L157 HydrophobicContact CE1-CB 4.06Å; Y149-L157 HydrophobicContact CD1-CD1 3.83Å; Y149-L157 HydrophobicContact CD2-CD1 3.78Å; Y149-L157 HydrophobicContact CE1-CD1 3.72Å; Y149-L157 HydrophobicContact CE2-CD1 3.66Å; Y149-L157 HydrophobicContact CG-CD1 3.86Å; L153-L157 HydrophobicContact CD1-CD1 3.83Å; L153-L157 HydrophobicContact CD1-CD2 4.19Å; L153-L157 HydrophobicContact CD1-CG 3.72Å; L153-L157 HydrophobicContact CD2-CD1 4.14Å; L153-L157 HydrophobicContact CG-CD1 3.65Å; L153-L157 HydrophobicContact CG-CG 3.99Å; L153-L157 WeakPolarHBondContact O-CG 3.18Å; L153-L157 PolarHBondContact O-N 3.21Å; Q155-L157 PolarHBondContact O-N 3.32Å; L157-Y159 PolarHBondContact O-N 3.22Å; L157-Q160 PolarHBondContact O-N 3.15Å; L157-K161 WeakPolarHBondContact O-CB 3.43Å; L157-K161 PolarHBondContact O-N 2.82Å
158	A	94.9	Very high	94.6	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-41.7	179.1	0	0	0	0	0	112.4	W131 R142 Y145 S146 N154 Q155 K161 Q162	W131-A158 WeakPolarHBondContact CZ3-O 3.33Å; R142-A158 HydrophobicContact CB-CB 4.26Å; R142-A158 HydrophobicContact CG-CB 4.08Å; Y145-A158 HydrophobicContact CD1-CB 4.07Å; S146-A158 WeakPolarHBondContact OG-CB 3.44Å; N154-A158 WeakPolarHBondContact O-CB 3.45Å; N154-A158 PolarHBondContact O-N 2.7Å; N154-A158 VanDerWaalsContact O-N 3.16Å; Q155-A158 PolarHBondContact O-N 3.1Å; A158-K161 PolarHBondContact O-N 2.78Å; A158-Q162 WeakPolarHBondContact O-CB 3.45Å; A158-Q162 PolarHBondContact O-N 3.31Å
159	Y	95.4	Very high	95	Very high	123 Å²	123	77.4 Å²	77.4	48%	0.482	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-37.9	174	-82.3	-69.5	0	0	0	112.5	R142 Q155 I156 L157 Q162 W163	R142-Y159 VanDerWaalsContact NH1-CZ 3.33Å; R142-Y159 PolarHBondContact NH1-OH 3.39Å; R142-Y159 PolarHBondContact NH2-OH 3.32Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.34Å; Q155-Y159 PolarHBondContact O-N 2.95Å; I156-Y159 PolarHBondContact O-N 3.1Å; L157-Y159 PolarHBondContact O-N 3.22Å; Y159-Q162 PolarHBondContact O-N 3.25Å; Y159-W163 WeakPolarHBondContact O-CB 3.24Å; Y159-W163 PolarHBondContact O-N 3.4Å
160	Q	95.9	Very high	95.4	Very high	112 Å²	112	81 Å²	81	52%	0.523	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175.5	-176.7	177.9	-1.1	0	0	111.1	I156 L157 W163 E164	I156-Q160 VanDerWaalsContact O-CB 3.32Å; I156-Q160 WeakPolarHBondContact O-CB 3.33Å; I156-Q160 PolarHBondContact O-N 2.9Å; L157-Q160 PolarHBondContact O-N 3.15Å; Q160-W163 PolarHBondContact O-N 3.31Å; Q160-E164 WeakPolarHBondContact O-CB 3.37Å; Q160-E164 PolarHBondContact O-N 3Å
161	K	95.1	Very high	95.6	Very high	40 Å²	40	80.8 Å²	80.8	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-45.8	176	-170.2	66.1	168.9	-162.3	0	111.6	E64 W131 Y145 L157 A158 W163 E164 V165	E64-K161 IonicContact OE1-NZ 3.8Å; E64-K161 PolarHBondContact OE1-NZ 2.89Å; W131-K161 HydrophobicContact CH2-CB 3.89Å; W131-K161 HydrophobicContact CH2-CG 3.71Å; W131-K161 HydrophobicContact CZ2-CB 4.17Å; W131-K161 HydrophobicContact CZ2-CG 3.45Å; W131-K161 VanDerWaalsContact CZ2-CG 3.45Å; W131-K161 HydrophobicContact CZ3-CB 4.27Å; W131-K161 HydrophobicContact CZ3-CG 4.37Å; Y145-K161 HydrophobicContact CD1-CB 4.36Å; Y145-K161 HydrophobicContact CE1-CB 3.85Å; Y145-K161 HydrophobicContact CE1-CG 4.29Å; Y145-K161 HydrophobicContact CE2-CD 4.36Å; Y145-K161 HydrophobicContact CE2-CG 4.12Å; L157-K161 WeakPolarHBondContact O-CB 3.43Å; L157-K161 PolarHBondContact O-N 2.82Å; A158-K161 PolarHBondContact O-N 2.78Å; K161-W163 VanDerWaalsContact C-N 3.31Å; K161-W163 PolarHBondContact O-N 2.89Å; K161-E164 WeakPolarHBondContact O-CB 3.37Å; K161-E164 PolarHBondContact O-N 3.5Å; K161-V165 WeakPolarHBondContact O-CG2 3.33Å; K161-V165 PolarHBondContact O-N 2.85Å
162	Q	97.1	Very high	95.7	Very high	16 Å²	16	74.7 Å²	74.7	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-43.2	176.4	-169.1	172.7	12.2	0	0	111.9	W131 A158 Y159 V165 R166	W131-Q162 HydrophobicContact CB-CG 4.38Å; W131-Q162 HydrophobicContact CE3-CB 3.56Å; W131-Q162 HydrophobicContact CE3-CG 3.91Å; W131-Q162 HydrophobicContact CZ3-CB 3.97Å; W131-Q162 WeakPolarHBondContact O-CG 3.5Å; W131-Q162 PolarHBondContact O-NE2 2.91Å; A158-Q162 WeakPolarHBondContact O-CB 3.45Å; A158-Q162 PolarHBondContact O-N 3.31Å; Y159-Q162 PolarHBondContact O-N 3.25Å; Q162-V165 PolarHBondContact O-N 3.17Å; Q162-R166 VanDerWaalsContact NE2-NH2 3.12Å; Q162-R166 WeakPolarHBondContact O-CB 3.33Å; Q162-R166 WeakPolarHBondContact O-CG 3.45Å; Q162-R166 PolarHBondContact O-N 3.11Å
163	W	97.3	Very high	95.7	Very high	161 Å²	161	74.4 Å²	74.4	61%	0.61	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-42.7	177	178.7	82.7	0	0	0	112.3	Y159 Q160 K161 V165 R166 R167	Y159-W163 WeakPolarHBondContact O-CB 3.24Å; Y159-W163 PolarHBondContact O-N 3.4Å; Q160-W163 PolarHBondContact O-N 3.31Å; K161-W163 VanDerWaalsContact C-N 3.31Å; K161-W163 PolarHBondContact O-N 2.89Å; W163-V165 PolarHBondContact O-N 3Å; W163-R166 PolarHBondContact O-N 3.39Å; W163-R167 WeakPolarHBondContact O-CB 3.25Å; W163-R167 PolarHBondContact O-N 3.29Å
164	E	96.3	Very high	95.9	Very high	110 Å²	110	71.3 Å²	71.3	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-48.6	175.6	-173	-166.7	155.8	0	0	111.3	Q160 K161 R167 K168	Q160-E164 WeakPolarHBondContact O-CB 3.37Å; Q160-E164 PolarHBondContact O-N 3Å; K161-E164 WeakPolarHBondContact O-CB 3.37Å; K161-E164 PolarHBondContact O-N 3.5Å; E164-R167 PolarHBondContact O-N 2.84Å; E164-K168 PolarHBondContact O-N 3.39Å
165	V	96.9	Very high	95.9	Very high	7 Å²	7	72.3 Å²	72.3	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-65.5	-44.2	179.5	177.9	0	0	0	0	110.9	L127 W131 K161 Q162 W163 R167 K168 M169	L127-V165 HydrophobicContact CB-CG1 4.13Å; L127-V165 HydrophobicContact CD2-CG2 4.49Å; W131-V165 HydrophobicContact CB-CB 3.82Å; W131-V165 HydrophobicContact CB-CG1 3.71Å; W131-V165 HydrophobicContact CB-CG2 4.33Å; W131-V165 HydrophobicContact CG-CB 4.02Å; W131-V165 HydrophobicContact CG-CG1 4.11Å; W131-V165 HydrophobicContact CG-CG2 3.97Å; K161-V165 WeakPolarHBondContact O-CG2 3.33Å; K161-V165 PolarHBondContact O-N 2.85Å; Q162-V165 PolarHBondContact O-N 3.17Å; W163-V165 PolarHBondContact O-N 3Å; V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 3.29Å; V165-K168 WeakPolarHBondContact O-CA 3.47Å; V165-K168 WeakPolarHBondContact O-CB 3.27Å; V165-K168 PolarHBondContact O-N 3.49Å; V165-K168 VanDerWaalsContact O-N 3.1Å; V165-M169 HydrophobicContact CG1-CE 3.79Å; V165-M169 HydrophobicContact CG1-CG 4.34Å; V165-M169 WeakPolarHBondContact O-CG 3.46Å; V165-M169 PolarHBondContact O-N 2.67Å
166	R	97.6	Very high	95.8	Very high	97 Å²	97	72.4 Å²	72.4	37%	0.366	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-39.3	175.7	-75.6	178.4	178	-157.2	-6.7	112.4	W131 D134 Q162 W163 M169 N170	W131-R166 PolarHBondContact O-NE 3.42Å; D134-R166 IonicContact OD1-CZ 2.8Å; D134-R166 IonicContact OD1-NH2 3.65Å; D134-R166 PolarHBondContact OD1-NH2 3.28Å; Q162-R166 VanDerWaalsContact NE2-NH2 3.12Å; Q162-R166 WeakPolarHBondContact O-CB 3.33Å; Q162-R166 WeakPolarHBondContact O-CG 3.45Å; Q162-R166 PolarHBondContact O-N 3.11Å; W163-R166 PolarHBondContact O-N 3.39Å; R166-M169 PolarHBondContact O-N 2.95Å; R166-N170 WeakPolarHBondContact O-CB 3.39Å; R166-N170 PolarHBondContact O-N 3.46Å
167	R	97.8	Very high	95.9	Very high	164 Å²	164	70 Å²	70	62%	0.619	37%	0.368	S	S	*	.	H	α-helix	trans	-65.4	-40.8	174.5	-178.4	179.6	152.7	178.6	-6.4	111.5	W163 E164 V165 N170 A171	W163-R167 WeakPolarHBondContact O-CB 3.25Å; W163-R167 PolarHBondContact O-N 3.29Å; E164-R167 PolarHBondContact O-N 2.84Å; V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 3.29Å; R167-N170 PolarHBondContact O-N 2.91Å; R167-A171 PolarHBondContact O-N 3.35Å
168	K	96.1	Very high	96	Very high	90 Å²	90	71.2 Å²	71.2	39%	0.391	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-47.8	171.8	-179.7	-176.5	174.3	-173.8	0	110.8	E164 V165 N170 A171 I172	E164-K168 PolarHBondContact O-N 3.39Å; V165-K168 WeakPolarHBondContact O-CA 3.47Å; V165-K168 WeakPolarHBondContact O-CB 3.27Å; V165-K168 PolarHBondContact O-N 3.49Å; V165-K168 VanDerWaalsContact O-N 3.1Å; K168-N170 VanDerWaalsContact C-N 3.29Å; K168-N170 PolarHBondContact O-N 2.76Å; K168-A171 PolarHBondContact O-N 2.99Å; K168-A171 VanDerWaalsContact O-N 3.16Å; K168-I172 WeakPolarHBondContact O-CG1 3.42Å; K168-I172 PolarHBondContact O-N 3.49Å
169	M	97.4	Very high	95.9	Very high	0 Å²	0	73 Å²	73	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-36.6	178.3	-63.7	-51.7	152.4	0	0	112.2	T124 L127 Y128 C132 V165 R166 I172 G173 W174 A175	T124-M169 HydrophobicContact CG2-CE 4.11Å; T124-M169 HydrophobicContact CG2-SD 3.88Å; L127-M169 HydrophobicContact CB-CE 3.54Å; L127-M169 HydrophobicContact CD1-CE 4.44Å; Y128-M169 HydrophobicContact CD2-CG 4.02Å; Y128-M169 HydrophobicContact CD2-SD 4.15Å; C132-M169 VanDerWaalsContact SG-CG 3.57Å; V165-M169 HydrophobicContact CG1-CE 3.79Å; V165-M169 HydrophobicContact CG1-CG 4.34Å; V165-M169 WeakPolarHBondContact O-CG 3.46Å; V165-M169 PolarHBondContact O-N 2.67Å; R166-M169 PolarHBondContact O-N 2.95Å; M169-I172 WeakPolarHBondContact O-CG1 3.29Å; M169-I172 HydrophobicContact SD-CD1 3.88Å; M169-G173 PolarHBondContact O-N 2.84Å; M169-W174 HydrophobicContact CB-CB 4.09Å; M169-W174 WeakPolarHBondContact O-CA 3.32Å; M169-W174 PolarHBondContact O-N 3.46Å; M169-W174 HydrophobicContact SD-CB 4.1Å; M169-W174 HydrophobicContact SD-CE3 4.49Å; M169-A175 PolarHBondContact O-N 3.14Å
170	N	96.9	Very high	95.9	Very high	113 Å²	113	72.6 Å²	72.6	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-62.3	-47.4	173.5	-170.5	-69.1	0	0	0	111.7	R166 R167 K168 I172 G173 A175	R166-N170 WeakPolarHBondContact O-CB 3.39Å; R166-N170 PolarHBondContact O-N 3.46Å; R167-N170 PolarHBondContact O-N 2.91Å; K168-N170 VanDerWaalsContact C-N 3.29Å; K168-N170 PolarHBondContact O-N 2.76Å; N170-I172 VanDerWaalsContact C-N 3.26Å; N170-I172 PolarHBondContact O-N 2.9Å; N170-G173 PolarHBondContact O-N 3.46Å; N170-A175 HydrophobicContact CB-CB 3.91Å
171	A	96.8	Very high	95.9	Very high	86 Å²	86	72 Å²	72	71%	0.711	39%	0.387	S	S	*	.	H	α-helix	trans	-61.8	-31.3	-178.1	0	0	0	0	0	113.8	R167 K168	R167-A171 PolarHBondContact O-N 3.35Å; K168-A171 PolarHBondContact O-N 2.99Å; K168-A171 VanDerWaalsContact O-N 3.16Å
172	I	94.9	Very high	96	Very high	79 Å²	79	70.1 Å²	70.1	41%	0.405	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6	177.9	67.4	172.9	0	0	0	113.5	T124 K168 M169 N170 W174	T124-I172 HydrophobicContact CG2-CD1 3.33Å; K168-I172 WeakPolarHBondContact O-CG1 3.42Å; K168-I172 PolarHBondContact O-N 3.49Å; M169-I172 WeakPolarHBondContact O-CG1 3.29Å; M169-I172 HydrophobicContact SD-CD1 3.88Å; N170-I172 VanDerWaalsContact C-N 3.26Å; N170-I172 PolarHBondContact O-N 2.9Å; I172-W174 HydrophobicContact CD1-CB 4.25Å; I172-W174 HydrophobicContact CD1-CD2 4.31Å; I172-W174 HydrophobicContact CD1-CG 3.87Å; I172-W174 HydrophobicContact CG1-CB 4.04Å; I172-W174 HydrophobicContact CG1-CG 3.96Å
173	G	95	Very high	96	Very high	57 Å²	57	69.6 Å²	69.6	59%	0.588	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	18.1	178.2	0	0	0	0	0	115.5	M169 N170	M169-G173 PolarHBondContact O-N 2.84Å; N170-G173 PolarHBondContact O-N 3.46Å
174	W	96.8	Very high	95.9	Very high	16 Å²	16	65.9 Å²	65.9	6%	0.061	37%	0.366	C	S	.	.			trans	-95.1	-12.5	179.3	-79.2	46.9	0	0	0	114.1	M121 T124 A125 Y128 M169 I172 G176 K177 V182 D185	M121-W174 HydrophobicContact SD-CZ2 4.49Å; T124-W174 HydrophobicContact CG2-CD2 3.84Å; T124-W174 HydrophobicContact CG2-CE3 3.8Å; T124-W174 HydrophobicContact CG2-CH2 3.93Å; T124-W174 HydrophobicContact CG2-CZ2 3.97Å; T124-W174 HydrophobicContact CG2-CZ3 3.84Å; A125-W174 HydrophobicContact CB-CH2 4.29Å; A125-W174 HydrophobicContact CB-CZ3 4.2Å; Y128-W174 HydrophobicContact CD2-CB 4.39Å; Y128-W174 AromaticContact CD2-CE3 4Å; Y128-W174 HydrophobicContact CD2-CE3 4Å; Y128-W174 WeakPolarHBondContact CE2-O 3.43Å; Y128-W174 HydrophobicContact CG-CE3 4.22Å; M169-W174 HydrophobicContact CB-CB 4.09Å; M169-W174 WeakPolarHBondContact O-CA 3.32Å; M169-W174 PolarHBondContact O-N 3.46Å; M169-W174 HydrophobicContact SD-CB 4.1Å; M169-W174 HydrophobicContact SD-CE3 4.49Å; I172-W174 HydrophobicContact CD1-CB 4.25Å; I172-W174 HydrophobicContact CD1-CD2 4.31Å; I172-W174 HydrophobicContact CD1-CG 3.87Å; I172-W174 HydrophobicContact CG1-CB 4.04Å; I172-W174 HydrophobicContact CG1-CG 3.96Å; W174-G176 PolarHBondContact O-N 3.43Å; W174-K177 HydrophobicContact CB-CD 4.43Å; W174-K177 HydrophobicContact CD2-CD 3.93Å; W174-K177 HydrophobicContact CE3-CD 4.28Å; W174-K177 HydrophobicContact CG-CD 3.98Å; W174-K177 PolarHBondContact O-N 2.61Å; W174-V182 HydrophobicContact CE3-CG2 3.83Å; W174-V182 HydrophobicContact CH2-CG1 4.45Å; W174-V182 HydrophobicContact CZ3-CB 4.24Å; W174-V182 HydrophobicContact CZ3-CG1 3.77Å; W174-V182 HydrophobicContact CZ3-CG2 3.71Å; W174-D185 HydrophobicContact CH2-CB 4.31Å; W174-D185 HydrophobicContact CZ2-CB 4.42Å
175	A	93.6	Very high	95.8	Very high	53 Å²	53	62 Å²	62	44%	0.438	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	-174.6	0	0	0	0	0	115.3	M169 N170	M169-A175 PolarHBondContact O-N 3.14Å; N170-A175 HydrophobicContact CB-CB 3.91Å
176	G	91.6	Very high	95.8	Very high	78 Å²	78	61.7 Å²	61.7	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	5.5	178.1	0	0	0	0	0	114.8	W174	W174-G176 PolarHBondContact O-N 3.43Å
177	K	96.1	Very high	95.8	Very high	48 Å²	48	57.9 Å²	57.9	21%	0.209	34%	0.335	C	S	.	.			trans	-73.2	149	-178.1	-74.2	-170	174.2	-172.3	0	111.6	Y128 W174 Q181 V182 D185	Y128-K177 PolarHBondContact OH-O 2.83Å; W174-K177 HydrophobicContact CB-CD 4.43Å; W174-K177 HydrophobicContact CD2-CD 3.93Å; W174-K177 HydrophobicContact CE3-CD 4.28Å; W174-K177 HydrophobicContact CG-CD 3.98Å; W174-K177 PolarHBondContact O-N 2.61Å; K177-Q181 HydrophobicContact CB-CB 4.33Å; K177-V182 HydrophobicContact CB-CG2 4.07Å; K177-V182 HydrophobicContact CD-CG2 4.27Å; K177-D185 VanDerWaalsContact NZ-CG 3.27Å; K177-D185 IonicContact NZ-OD1 2.65Å; K177-D185 PolarHBondContact NZ-OD1 3.46Å; K177-D185 IonicContact NZ-OD2 3.06Å; K177-D185 PolarHBondContact NZ-OD2 3.48Å
178	S	95.9	Very high	95.7	Very high	45 Å²	45	54.9 Å²	54.9	32%	0.315	33%	0.328	S	S	.	.			trans	-83.8	164.6	164.2	83.7	0	0	0	0	110.7	E180 Q181 V182	S178-E180 VanDerWaalsContact C-N 3.25Å; S178-E180 WeakPolarHBondContact CB-OE2 3.26Å; S178-E180 PolarHBondContact O-N 3.39Å; S178-E180 PolarHBondContact OG-N 3.11Å; S178-E180 PolarHBondContact OG-OE2 2.89Å; S178-Q181 PolarHBondContact O-N 3.01Å; S178-Q181 PolarHBondContact OG-N 3.47Å; S178-V182 PolarHBondContact O-N 2.89Å; S178-V182 VanDerWaalsContact O-N 3.12Å
179	L	94.6	Very high	95.8	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-39.1	174.3	-83.4	173.7	0	0	0	111.4	Y128 I129 D133 Q181 V182 Y183	Y128-L179 HydrophobicContact CD1-CD2 4.29Å; Y128-L179 HydrophobicContact CE1-CD2 4.19Å; I129-L179 HydrophobicContact CG1-CD2 3.98Å; D133-L179 HydrophobicContact CB-CD1 4.17Å; D133-L179 HydrophobicContact CB-CD2 4.17Å; D133-L179 HydrophobicContact CB-CG 4.46Å; L179-Q181 VanDerWaalsContact C-N 3.3Å; L179-Q181 PolarHBondContact O-N 3.46Å; L179-V182 WeakPolarHBondContact O-CB 3.39Å; L179-V182 PolarHBondContact O-N 3.43Å; L179-V182 VanDerWaalsContact O-N 3.14Å; L179-Y183 HydrophobicContact CB-CE2 4.24Å; L179-Y183 HydrophobicContact CD2-CE1 4.24Å; L179-Y183 WeakPolarHBondContact O-CD1 3.36Å; L179-Y183 WeakPolarHBondContact O-CD2 3.3Å; L179-Y183 PolarHBondContact O-N 3.19Å
180	E	95	Very high	95.8	Very high	113 Å²	113	50.8 Å²	50.8	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.3	-56.6	77.4	-169.6	0	0	111.6	S178 Y183 E184	S178-E180 VanDerWaalsContact C-N 3.25Å; S178-E180 WeakPolarHBondContact CB-OE2 3.26Å; S178-E180 PolarHBondContact O-N 3.39Å; S178-E180 PolarHBondContact OG-N 3.11Å; S178-E180 PolarHBondContact OG-OE2 2.89Å; E180-Y183 PolarHBondContact O-N 3.45Å; E180-E184 WeakPolarHBondContact O-CB 3.17Å; E180-E184 PolarHBondContact O-N 3.24Å
181	Q	96.4	Very high	95.9	Very high	100 Å²	100	49.9 Å²	49.9	47%	0.467	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-42.2	175	-69.7	176	-32.6	0	0	111.6	K177 S178 L179 Y183 E184 D185	K177-Q181 HydrophobicContact CB-CB 4.33Å; S178-Q181 PolarHBondContact O-N 3.01Å; S178-Q181 PolarHBondContact OG-N 3.47Å; L179-Q181 VanDerWaalsContact C-N 3.3Å; L179-Q181 PolarHBondContact O-N 3.46Å; Q181-Y183 VanDerWaalsContact C-N 3.31Å; Q181-Y183 PolarHBondContact O-N 2.9Å; Q181-E184 WeakPolarHBondContact O-CB 3.36Å; Q181-E184 PolarHBondContact O-N 2.88Å; Q181-D185 VanDerWaalsContact O-CG 3.3Å; Q181-D185 PolarHBondContact O-N 3.16Å; Q181-D185 VanDerWaalsContact O-OD2 3.13Å
182	V	96.5	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-41.1	175.3	169.9	0	0	0	0	111.2	A125 Y128 W174 K177 S178 L179 E184 D185 V186	A125-V182 HydrophobicContact CB-CG1 3.59Å; Y128-V182 HydrophobicContact CD1-CB 4.39Å; Y128-V182 HydrophobicContact CD1-CG1 4.37Å; Y128-V182 HydrophobicContact CD1-CG2 3.66Å; Y128-V182 HydrophobicContact CD2-CG2 4.34Å; Y128-V182 HydrophobicContact CE1-CG2 3.84Å; Y128-V182 HydrophobicContact CG-CG2 3.94Å; W174-V182 HydrophobicContact CE3-CG2 3.83Å; W174-V182 HydrophobicContact CH2-CG1 4.45Å; W174-V182 HydrophobicContact CZ3-CB 4.24Å; W174-V182 HydrophobicContact CZ3-CG1 3.77Å; W174-V182 HydrophobicContact CZ3-CG2 3.71Å; K177-V182 HydrophobicContact CB-CG2 4.07Å; K177-V182 HydrophobicContact CD-CG2 4.27Å; S178-V182 PolarHBondContact O-N 2.89Å; S178-V182 VanDerWaalsContact O-N 3.12Å; L179-V182 WeakPolarHBondContact O-CB 3.39Å; L179-V182 PolarHBondContact O-N 3.43Å; L179-V182 VanDerWaalsContact O-N 3.14Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 3.41Å; V182-D185 PolarHBondContact O-N 2.97Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3Å
183	Y	95.8	Very high	96.1	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-33.4	176.1	-62	-17.6	0	0	0	112.5	I129 L179 E180 Q181 V186 S187 E231 L232	I129-Y183 HydrophobicContact CD1-CD1 4.48Å; I129-Y183 HydrophobicContact CD1-CE1 3.83Å; I129-Y183 HydrophobicContact CG1-CE1 4.22Å; L179-Y183 HydrophobicContact CB-CE2 4.24Å; L179-Y183 HydrophobicContact CD2-CE1 4.24Å; L179-Y183 WeakPolarHBondContact O-CD1 3.36Å; L179-Y183 WeakPolarHBondContact O-CD2 3.3Å; L179-Y183 PolarHBondContact O-N 3.19Å; E180-Y183 PolarHBondContact O-N 3.45Å; Q181-Y183 VanDerWaalsContact C-N 3.31Å; Q181-Y183 PolarHBondContact O-N 2.9Å; Y183-V186 PolarHBondContact O-N 3.41Å; Y183-S187 WeakPolarHBondContact O-CB 3.01Å; Y183-S187 PolarHBondContact O-N 3.27Å; Y183-E231 HydrophobicContact CD2-CB 4.16Å; Y183-E231 VanDerWaalsContact CD2-CD 3.43Å; Y183-E231 HydrophobicContact CD2-CG 3.92Å; Y183-E231 HydrophobicContact CE2-CB 3.84Å; Y183-E231 HydrophobicContact CE2-CG 4.09Å; Y183-E231 WeakPolarHBondContact CE2-OE2 3.28Å; Y183-L232 HydrophobicContact CD1-CB 4.08Å; Y183-L232 HydrophobicContact CD1-CD1 3.84Å; Y183-L232 HydrophobicContact CD1-CG 4.44Å; Y183-L232 HydrophobicContact CE1-CB 3.94Å; Y183-L232 HydrophobicContact CE1-CD1 4.41Å
184	E	95.8	Very high	96.3	Very high	84 Å²	84	41.8 Å²	41.8	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-41.5	173.3	-171.3	54.2	-148.5	0	0	111.9	E180 Q181 V182 V186 S187 Q188 K235	E180-E184 WeakPolarHBondContact O-CB 3.17Å; E180-E184 PolarHBondContact O-N 3.24Å; Q181-E184 WeakPolarHBondContact O-CB 3.36Å; Q181-E184 PolarHBondContact O-N 2.88Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 3.41Å; E184-V186 VanDerWaalsContact C-N 3.31Å; E184-V186 PolarHBondContact O-N 2.97Å; E184-S187 WeakPolarHBondContact O-CB 3.43Å; E184-S187 PolarHBondContact O-N 2.86Å; E184-S187 VanDerWaalsContact O-N 3.13Å; E184-Q188 WeakPolarHBondContact O-CG 3.32Å; E184-Q188 PolarHBondContact O-N 2.94Å; E184-K235 IonicContact OE2-NZ 2.66Å
185	D	95.4	Very high	96.3	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-42.2	173.3	-60.7	-52.3	0	0	0	111.5	M121 W174 K177 Q181 V182 Q188 C189	M121-D185 HydrophobicContact SD-CB 4.34Å; W174-D185 HydrophobicContact CH2-CB 4.31Å; W174-D185 HydrophobicContact CZ2-CB 4.42Å; K177-D185 VanDerWaalsContact NZ-CG 3.27Å; K177-D185 IonicContact NZ-OD1 2.65Å; K177-D185 PolarHBondContact NZ-OD1 3.46Å; K177-D185 IonicContact NZ-OD2 3.06Å; K177-D185 PolarHBondContact NZ-OD2 3.48Å; Q181-D185 VanDerWaalsContact O-CG 3.3Å; Q181-D185 PolarHBondContact O-N 3.16Å; Q181-D185 VanDerWaalsContact O-OD2 3.13Å; V182-D185 PolarHBondContact O-N 2.97Å; D185-Q188 PolarHBondContact O-N 3.37Å; D185-C189 PolarHBondContact O-N 3.38Å
186	V	96.7	Very high	96.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-42.2	174.4	172.4	0	0	0	0	111	L122 A125 V182 Y183 E184 Q188 C189 C190 L232	L122-V186 HydrophobicContact CD2-CB 4.34Å; L122-V186 HydrophobicContact CD2-CG1 3.63Å; L122-V186 HydrophobicContact CD2-CG2 4.2Å; A125-V186 HydrophobicContact CB-CG2 3.33Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3Å; Y183-V186 PolarHBondContact O-N 3.41Å; E184-V186 VanDerWaalsContact C-N 3.31Å; E184-V186 PolarHBondContact O-N 2.97Å; V186-Q188 VanDerWaalsContact C-N 3.33Å; V186-Q188 PolarHBondContact O-N 3.03Å; V186-C189 WeakPolarHBondContact O-CB 3.47Å; V186-C189 PolarHBondContact O-N 3.02Å; V186-C190 WeakPolarHBondContact O-CB 3.48Å; V186-C190 PolarHBondContact O-N 3.35Å; V186-C190 PolarHBondContact O-SG 3.03Å; V186-C190 VanDerWaalsContact O-SG 3.37Å; V186-L232 HydrophobicContact CB-CD1 3.8Å; V186-L232 HydrophobicContact CG1-CD1 3.6Å; V186-L232 HydrophobicContact CG2-CD1 4.01Å
187	S	96.4	Very high	96.8	Very high	18 Å²	18	44.2 Å²	44.2	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-44.5	176	-173.1	0	0	0	0	111.6	Y183 E184 C189 C190 Q191 Y239	Y183-S187 WeakPolarHBondContact O-CB 3.01Å; Y183-S187 PolarHBondContact O-N 3.27Å; E184-S187 WeakPolarHBondContact O-CB 3.43Å; E184-S187 PolarHBondContact O-N 2.86Å; E184-S187 VanDerWaalsContact O-N 3.13Å; S187-C189 PolarHBondContact O-N 3.24Å; S187-C190 PolarHBondContact O-N 3.03Å; S187-Q191 PolarHBondContact O-N 3.44Å; S187-Y239 PolarHBondContact O-OH 2.82Å; S187-Y239 VanDerWaalsContact O-OH 3.04Å; S187-Y239 PolarHBondContact OG-OH 3.27Å; S187-Y239 VanDerWaalsContact OG-OH 3.12Å
188	Q	96.8	Very high	96.8	Very high	100 Å²	100	43.5 Å²	43.5	47%	0.467	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-40.5	176.4	-69.4	173.4	17.4	0	0	112.1	E184 D185 V186 Q191 A192	E184-Q188 WeakPolarHBondContact O-CG 3.32Å; E184-Q188 PolarHBondContact O-N 2.94Å; D185-Q188 PolarHBondContact O-N 3.37Å; V186-Q188 VanDerWaalsContact C-N 3.33Å; V186-Q188 PolarHBondContact O-N 3.03Å; Q188-Q191 WeakPolarHBondContact O-CB 3.37Å; Q188-Q191 PolarHBondContact O-N 2.9Å; Q188-A192 PolarHBondContact O-N 3.14Å
189	C	97.8	Very high	96.8	Very high	3 Å²	3	48 Å²	48	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-47.7	172.5	-176.1	0	0	0	0	111.3	M121 L122 D185 V186 S187 Q191 A192 L193	M121-C189 HydrophobicContact CB-CB 3.64Å; M121-C189 HydrophobicContact CG-CB 3.98Å; L122-C189 HydrophobicContact CD2-CB 4.27Å; D185-C189 PolarHBondContact O-N 3.38Å; V186-C189 WeakPolarHBondContact O-CB 3.47Å; V186-C189 PolarHBondContact O-N 3.02Å; S187-C189 PolarHBondContact O-N 3.24Å; C189-Q191 VanDerWaalsContact C-N 3.3Å; C189-Q191 PolarHBondContact O-N 2.93Å; C189-A192 PolarHBondContact O-N 3.28Å; C189-L193 WeakPolarHBondContact O-CB 3.48Å; C189-L193 VanDerWaalsContact O-CG 3.3Å; C189-L193 WeakPolarHBondContact O-CG 3.35Å; C189-L193 PolarHBondContact O-N 3.47Å
190	C	98.1	Very high	96.8	Very high	1 Å²	1	51 Å²	51	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-37.3	176.7	-72.4	0	0	0	0	112	V186 S187 L193 S194 Y239 L242	V186-C190 WeakPolarHBondContact O-CB 3.48Å; V186-C190 PolarHBondContact O-N 3.35Å; V186-C190 PolarHBondContact O-SG 3.03Å; V186-C190 VanDerWaalsContact O-SG 3.37Å; S187-C190 PolarHBondContact O-N 3.03Å; C190-L193 PolarHBondContact O-N 2.95Å; C190-S194 WeakPolarHBondContact O-CB 3.4Å; C190-S194 PolarHBondContact O-N 3.31Å; C190-Y239 HydrophobicContact CB-CD2 3.71Å; C190-Y239 HydrophobicContact CB-CE2 3.55Å; C190-Y239 HydrophobicContact CB-CG 4.29Å; C190-L242 HydrophobicContact CB-CD1 4.05Å; C190-L242 WeakPolarHBondContact O-CD1 3.26Å
191	Q	98.3	Very high	96.8	Very high	95 Å²	95	47.5 Å²	47.5	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-48.2	173.8	-172.3	179.5	13.5	0	0	111.5	S187 Q188 C189 L193 S194 Q195 Y239	S187-Q191 PolarHBondContact O-N 3.44Å; Q188-Q191 WeakPolarHBondContact O-CB 3.37Å; Q188-Q191 PolarHBondContact O-N 2.9Å; C189-Q191 VanDerWaalsContact C-N 3.3Å; C189-Q191 PolarHBondContact O-N 2.93Å; Q191-L193 PolarHBondContact O-N 3.2Å; Q191-S194 PolarHBondContact O-N 3.13Å; Q191-Q195 WeakPolarHBondContact O-CB 3.48Å; Q191-Q195 VanDerWaalsContact O-CG 3.31Å; Q191-Q195 WeakPolarHBondContact O-CG 3.31Å; Q191-Q195 PolarHBondContact O-N 2.91Å; Q191-Y239 HydrophobicContact CB-CE1 4.02Å
192	A	98.2	Very high	96.8	Very high	29 Å²	29	43.6 Å²	43.6	24%	0.24	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-42.2	178	0	0	0	0	0	112	L117 Q188 C189 R196	L117-A192 HydrophobicContact CD2-CB 4.02Å; Q188-A192 PolarHBondContact O-N 3.14Å; C189-A192 PolarHBondContact O-N 3.28Å; A192-R196 WeakPolarHBondContact O-CB 3.5Å; A192-R196 PolarHBondContact O-N 3.12Å
193	L	98.3	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-44.3	175.5	-69.3	172	0	0	0	111.6	Y114 V118 L122 C189 C190 Q191 Q195 R196 L197 F203 V215 L242	Y114-L193 HydrophobicContact CD1-CD2 4.13Å; V118-L193 HydrophobicContact CG2-CD1 4.17Å; V118-L193 HydrophobicContact CG2-CD2 4.09Å; L122-L193 HydrophobicContact CD1-CD1 4.39Å; C189-L193 WeakPolarHBondContact O-CB 3.48Å; C189-L193 VanDerWaalsContact O-CG 3.3Å; C189-L193 WeakPolarHBondContact O-CG 3.35Å; C189-L193 PolarHBondContact O-N 3.47Å; C190-L193 PolarHBondContact O-N 2.95Å; Q191-L193 PolarHBondContact O-N 3.2Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; L193-Q195 PolarHBondContact O-N 3.41Å; L193-R196 PolarHBondContact O-N 3.49Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 PolarHBondContact O-N 3.03Å; L193-F203 HydrophobicContact CB-CE1 4.08Å; L193-F203 HydrophobicContact CB-CZ 4.11Å; L193-F203 HydrophobicContact CD2-CE1 3.75Å; L193-F203 HydrophobicContact CD2-CZ 3.9Å; L193-F203 WeakPolarHBondContact O-CE1 3.26Å; L193-V215 HydrophobicContact CD1-CG1 4.21Å; L193-V215 HydrophobicContact CD1-CG2 4.31Å; L193-V215 HydrophobicContact CD2-CG2 3.91Å; L193-L242 HydrophobicContact CB-CD1 4.39Å; L193-L242 HydrophobicContact CB-CD2 4.24Å
194	S	98.3	Very high	96.6	Very high	22 Å²	22	44.4 Å²	44.4	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-43.4	178.1	178.5	0	0	0	0	111.4	C190 Q191 G198 N241	C190-S194 WeakPolarHBondContact O-CB 3.4Å; C190-S194 PolarHBondContact O-N 3.31Å; Q191-S194 PolarHBondContact O-N 3.13Å; S194-G198 PolarHBondContact O-N 3.4Å; S194-N241 PolarHBondContact O-ND2 3.25Å; S194-N241 VanDerWaalsContact OG-CG 3.28Å; S194-N241 PolarHBondContact OG-ND2 3.46Å; S194-N241 VanDerWaalsContact OG-ND2 3.1Å; S194-N241 PolarHBondContact OG-OD1 2.94Å
195	Q	97.8	Very high	95.9	Very high	136 Å²	136	42.8 Å²	42.8	64%	0.636	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-43.9	174.5	-74	175.3	-5.2	0	0	111.7	Q191 L193 G198	Q191-Q195 WeakPolarHBondContact O-CB 3.48Å; Q191-Q195 VanDerWaalsContact O-CG 3.31Å; Q191-Q195 WeakPolarHBondContact O-CG 3.31Å; Q191-Q195 PolarHBondContact O-N 2.91Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; L193-Q195 PolarHBondContact O-N 3.41Å; Q195-G198 PolarHBondContact O-N 3.06Å
196	R	97.3	Very high	95.6	Very high	59 Å²	59	49.9 Å²	49.9	22%	0.223	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-39.7	179.7	-177.2	61.8	-171.4	85.9	-0.2	112.5	Y114 A192 L193 F203	Y114-R196 HydrophobicContact CD2-CG 4.28Å; Y114-R196 HydrophobicContact CE1-CB 3.84Å; Y114-R196 HydrophobicContact CE1-CG 3.99Å; Y114-R196 HydrophobicContact CE2-CB 4.37Å; Y114-R196 HydrophobicContact CE2-CG 3.69Å; Y114-R196 WeakPolarHBondContact OH-CD 3.48Å; A192-R196 WeakPolarHBondContact O-CB 3.5Å; A192-R196 PolarHBondContact O-N 3.12Å; L193-R196 PolarHBondContact O-N 3.49Å; R196-F203 HydrophobicContact CB-CD1 4.13Å; R196-F203 HydrophobicContact CB-CE1 4.26Å; R196-F203 HydrophobicContact CG-CD1 3.78Å; R196-F203 HydrophobicContact CG-CE1 4.4Å; R196-F203 PolarHBondContact NH1-O 2.96Å; R196-F203 PolarHBondContact NH2-O 3.12Å; R196-F203 VanDerWaalsContact NH2-O 3.13Å
197	L	97.8	Very high	95.3	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-42	176.5	-178	68.8	0	0	0	111.1	L193 T199 Q200 F203 N241 L242 F245	L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 PolarHBondContact O-N 3.03Å; L197-T199 PolarHBondContact O-N 3.37Å; L197-Q200 WeakPolarHBondContact CD1-O 3.33Å; L197-Q200 WeakPolarHBondContact O-CB 3.4Å; L197-Q200 PolarHBondContact O-N 3.13Å; L197-F203 HydrophobicContact CB-CD1 4.37Å; L197-F203 HydrophobicContact CB-CE1 4.03Å; L197-F203 HydrophobicContact CB-CZ 4.3Å; L197-F203 HydrophobicContact CD1-CD2 4.47Å; L197-N241 HydrophobicContact CD2-CB 4.45Å; L197-L242 HydrophobicContact CD2-CD2 3.94Å; L197-F245 HydrophobicContact CD1-CD2 4.09Å; L197-F245 HydrophobicContact CD2-CB 3.67Å; L197-F245 HydrophobicContact CD2-CD2 4.32Å; L197-F245 HydrophobicContact CD2-CG 4.14Å
198	G	96.4	Very high	95.3	Very high	34 Å²	34	55.4 Å²	55.4	35%	0.351	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-120.3	-177.1	0	0	0	0	0	111.3	S194 Q195 N241	S194-G198 PolarHBondContact O-N 3.4Å; Q195-G198 PolarHBondContact O-N 3.06Å; G198-N241 PolarHBondContact O-ND2 3.02Å; G198-N241 VanDerWaalsContact O-ND2 3.1Å
199	T	94.9	Very high	95.3	Very high	140 Å²	140	50.7 Å²	50.7	86%	0.859	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	3.7	176.8	58	0	0	0	0	113.3	L197	L197-T199 PolarHBondContact O-N 3.37Å
200	Q	94.8	Very high	95.3	Very high	100 Å²	100	51.1 Å²	51.1	47%	0.467	27%	0.265	S	S	.	.			trans	-75.7	154.2	-176.6	-61.6	-60.8	-30	0	0	111.7	L197 Y202	L197-Q200 WeakPolarHBondContact CD1-O 3.33Å; L197-Q200 WeakPolarHBondContact O-CB 3.4Å; L197-Q200 PolarHBondContact O-N 3.13Å; Q200-Y202 VanDerWaalsContact C-N 3.34Å; Q200-Y202 VanDerWaalsContact CB-O 3.32Å; Q200-Y202 WeakPolarHBondContact CB-O 3.44Å
201	P	94.6	Very high	95.3	Very high	40 Å²	40	51 Å²	51	26%	0.26	26%	0.264	S	S	.	.	S	Bend	trans	-71.6	-28.6	174.5	28.3	-34.2	0	0	0	113	R248	P201-R248 VanDerWaalsContact C-NH1 3.3Å; P201-R248 PolarHBondContact O-NH1 3.22Å
202	Y	96.9	Very high	95.3	Very high	18 Å²	18	46.5 Å²	46.5	7%	0.071	24%	0.243	C	C	.	.	S	Bend	trans	-139.2	165.4	179	-57.3	-72.2	0	0	0	109.3	Q200 F204 N205 K206 P208 D212 F245 I249 Y253	Q200-Y202 VanDerWaalsContact C-N 3.34Å; Q200-Y202 VanDerWaalsContact CB-O 3.32Å; Q200-Y202 WeakPolarHBondContact CB-O 3.44Å; Y202-F204 PolarHBondContact O-N 3.04Å; Y202-N205 WeakPolarHBondContact CB-O 3.33Å; Y202-K206 VanDerWaalsContact CD2-O 3.28Å; Y202-K206 WeakPolarHBondContact CD2-O 3.36Å; Y202-K206 VanDerWaalsContact CE2-O 3.26Å; Y202-K206 WeakPolarHBondContact CE2-O 3.46Å; Y202-P208 HydrophobicContact CD1-CB 3.77Å; Y202-P208 HydrophobicContact CE1-CB 3.72Å; Y202-P208 HydrophobicContact CE1-CG 4.38Å; Y202-P208 HydrophobicContact CG-CB 4.3Å; Y202-D212 WeakPolarHBondContact CA-OD1 3.36Å; Y202-D212 VanDerWaalsContact CB-OD1 3.22Å; Y202-D212 WeakPolarHBondContact CB-OD1 3.37Å; Y202-D212 HydrophobicContact CD1-CB 4.29Å; Y202-F245 HydrophobicContact CD1-CE2 4.49Å; Y202-I249 HydrophobicContact CE1-CG1 4.33Å; Y202-Y253 PolarHBondContact OH-OH 2.87Å
203	F	96.8	Very high	95.3	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.232	C	C	.	.	S	Bend	trans	-63.3	-43.2	-171.2	-82.2	-87.5	0	0	0	113.5	L193 R196 L197 L211 D212 V215 L242 F245	L193-F203 HydrophobicContact CB-CE1 4.08Å; L193-F203 HydrophobicContact CB-CZ 4.11Å; L193-F203 HydrophobicContact CD2-CE1 3.75Å; L193-F203 HydrophobicContact CD2-CZ 3.9Å; L193-F203 WeakPolarHBondContact O-CE1 3.26Å; R196-F203 HydrophobicContact CB-CD1 4.13Å; R196-F203 HydrophobicContact CB-CE1 4.26Å; R196-F203 HydrophobicContact CG-CD1 3.78Å; R196-F203 HydrophobicContact CG-CE1 4.4Å; R196-F203 PolarHBondContact NH1-O 2.96Å; R196-F203 PolarHBondContact NH2-O 3.12Å; R196-F203 VanDerWaalsContact NH2-O 3.13Å; L197-F203 HydrophobicContact CB-CD1 4.37Å; L197-F203 HydrophobicContact CB-CE1 4.03Å; L197-F203 HydrophobicContact CB-CZ 4.3Å; L197-F203 HydrophobicContact CD1-CD2 4.47Å; F203-L211 HydrophobicContact CB-CD2 3.74Å; F203-L211 HydrophobicContact CB-CG 4.42Å; F203-L211 HydrophobicContact CD1-CD2 4.03Å; F203-L211 HydrophobicContact CD2-CD2 4.27Å; F203-L211 HydrophobicContact CD2-CG 4.22Å; F203-L211 HydrophobicContact CG-CD2 3.75Å; F203-L211 HydrophobicContact CG-CG 4.2Å; F203-D212 VanDerWaalsContact CD2-OD1 3.3Å; F203-D212 WeakPolarHBondContact CD2-OD1 3.24Å; F203-D212 PolarHBondContact N-OD1 3Å; F203-V215 HydrophobicContact CE2-CB 3.88Å; F203-V215 HydrophobicContact CE2-CG1 3.82Å; F203-V215 HydrophobicContact CE2-CG2 3.81Å; F203-V215 HydrophobicContact CZ-CB 4.3Å; F203-V215 HydrophobicContact CZ-CG1 3.9Å; F203-V215 HydrophobicContact CZ-CG2 3.98Å; F203-L242 HydrophobicContact CZ-CD2 4.45Å; F203-F245 HydrophobicContact CD2-CE2 4.16Å; F203-F245 HydrophobicContact CD2-CZ 4.25Å; F203-F245 HydrophobicContact CE2-CE1 4.24Å; F203-F245 AromaticContact CE2-CE2 3.96Å; F203-F245 HydrophobicContact CE2-CE2 3.96Å; F203-F245 AromaticContact CE2-CZ 3.78Å; F203-F245 HydrophobicContact CE2-CZ 3.78Å
204	F	92.3	Very high	95.3	Very high	21 Å²	21	45.4 Å²	45.4	9%	0.092	23%	0.233	C	C	.	.	S	Bend	trans	-109.2	-43.8	-175	-77.8	-92.9	0	0	0	114.5	L103 Q107 E110 M111 Y114 Y202 T209 L211	L103-F204 HydrophobicContact CD1-CB 4.44Å; L103-F204 HydrophobicContact CD1-CG 4.37Å; L103-F204 HydrophobicContact CD2-CB 3.61Å; L103-F204 HydrophobicContact CD2-CD1 4.3Å; L103-F204 HydrophobicContact CD2-CG 4.18Å; Q107-F204 HydrophobicContact CB-CD1 3.79Å; Q107-F204 HydrophobicContact CB-CE1 3.99Å; Q107-F204 HydrophobicContact CG-CD1 4.06Å; Q107-F204 HydrophobicContact CG-CE1 4.4Å; Q107-F204 VanDerWaalsContact O-CE1 3.25Å; Q107-F204 WeakPolarHBondContact O-CE1 3.38Å; E110-F204 HydrophobicContact CB-CE1 3.84Å; E110-F204 HydrophobicContact CB-CZ 3.76Å; M111-F204 VanDerWaalsContact CA-CZ 3.48Å; M111-F204 HydrophobicContact CB-CD2 4.15Å; M111-F204 HydrophobicContact CB-CE1 4.42Å; M111-F204 HydrophobicContact CB-CE2 3.55Å; M111-F204 HydrophobicContact CB-CZ 3.71Å; M111-F204 HydrophobicContact CG-CD2 4.31Å; M111-F204 HydrophobicContact CG-CE2 3.97Å; M111-F204 VanDerWaalsContact N-CZ 3.29Å; Y114-F204 HydrophobicContact CD2-CZ 4.37Å; Y202-F204 PolarHBondContact O-N 3.04Å; F204-T209 HydrophobicContact CB-CG2 4.49Å; F204-L211 HydrophobicContact CD2-CD2 4.21Å; F204-L211 HydrophobicContact CE2-CD2 3.66Å
205	N	80.9	Confident	95.3	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	23%	0.226	S	C	.	.	S	Bend	trans	-130.5	-175.5	-168.9	-77.6	-20.6	0	0	0	111.8	L103 Y202 Q207	L103-N205 WeakPolarHBondContact CD2-ND2 3.3Å; Y202-N205 WeakPolarHBondContact CB-O 3.33Å; N205-Q207 PolarHBondContact O-N 3.46Å
206	K	87.5	Confident	95.4	Very high	175 Å²	175	38 Å²	38	76%	0.761	20%	0.196	S	C	*	.	S	Bend	trans	-73.1	-10.6	167.1	-67.9	-175.4	179.5	179.8	0	113.6	Y202	Y202-K206 VanDerWaalsContact CD2-O 3.28Å; Y202-K206 WeakPolarHBondContact CD2-O 3.36Å; Y202-K206 VanDerWaalsContact CE2-O 3.26Å; Y202-K206 WeakPolarHBondContact CE2-O 3.46Å
207	Q	90.6	Very high	95.4	Very high	132 Å²	132	35.1 Å²	35.1	62%	0.617	19%	0.185	S	C	*	.	S	Bend	trans	-113.9	150	177.4	-65.4	-63.8	-11.4	0	0	109.4	N205	N205-Q207 PolarHBondContact O-N 3.46Å
208	P	96.6	Very high	95.4	Very high	4 Å²	4	35 Å²	35	3%	0.026	19%	0.185	C	C	.	.			trans	-68.4	158.5	178.5	33	-39.6	0	0	0	111.7	M50 Y202 D212 Y253	M50-P208 HydrophobicContact CB-CG 4.02Å; M50-P208 HydrophobicContact CE-CB 3.97Å; M50-P208 HydrophobicContact CG-CB 4.02Å; M50-P208 HydrophobicContact CG-CG 3.81Å; M50-P208 HydrophobicContact SD-CB 3.6Å; M50-P208 HydrophobicContact SD-CG 4.08Å; Y202-P208 HydrophobicContact CD1-CB 3.77Å; Y202-P208 HydrophobicContact CE1-CB 3.72Å; Y202-P208 HydrophobicContact CE1-CG 4.38Å; Y202-P208 HydrophobicContact CG-CB 4.3Å; P208-D212 HydrophobicContact CB-CB 4.2Å; P208-Y253 WeakPolarHBondContact CG-OH 3.18Å
209	T	97.5	Very high	95.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.168	C	C	.	.			trans	-127	173.2	175.3	64.6	0	0	0	0	110.5	L103 M111 F204 L211 D212 A213	L103-T209 HydrophobicContact CD1-CG2 4.28Å; M111-T209 HydrophobicContact SD-CG2 4.37Å; F204-T209 HydrophobicContact CB-CG2 4.49Å; T209-L211 PolarHBondContact O-N 2.9Å; T209-L211 PolarHBondContact OG1-N 3.29Å; T209-D212 WeakPolarHBondContact CB-OD2 3.21Å; T209-D212 PolarHBondContact N-OD2 3.24Å; T209-D212 WeakPolarHBondContact O-CB 2.98Å; T209-D212 PolarHBondContact O-N 3.32Å; T209-D212 PolarHBondContact OG1-OD2 2.93Å; T209-A213 PolarHBondContact O-N 3.38Å
210	E	97.4	Very high	95.6	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-26.2	171.9	52.2	-92.7	-147.3	0	0	113.6	Y47 V89 S100 M111 M115 L214	Y47-E210 HydrophobicContact CD2-CB 4Å; Y47-E210 HydrophobicContact CE2-CB 4.01Å; V89-E210 HydrophobicContact CG1-CB 4.47Å; V89-E210 HydrophobicContact CG1-CG 4.31Å; V89-E210 HydrophobicContact CG2-CB 3.77Å; V89-E210 HydrophobicContact CG2-CG 4.37Å; S100-E210 WeakPolarHBondContact CB-OE1 3.44Å; S100-E210 PolarHBondContact OG-OE1 3.37Å; S100-E210 PolarHBondContact OG-OE2 3.25Å; M111-E210 HydrophobicContact CE-CG 3.98Å; M111-E210 WeakPolarHBondContact CE-OE1 3.49Å; M111-E210 HydrophobicContact SD-CG 3.94Å; M115-E210 HydrophobicContact CE-CB 4.25Å; M115-E210 HydrophobicContact CE-CG 4.07Å; M115-E210 HydrophobicContact SD-CB 4.47Å; M115-E210 HydrophobicContact SD-CG 3.73Å; E210-L214 WeakPolarHBondContact O-CB 3.43Å; E210-L214 PolarHBondContact O-N 3.35Å; E210-L214 VanDerWaalsContact O-N 3.09Å
211	L	98.2	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.4	-42.4	172.3	176	64.2	0	0	0	111.6	M111 Y114 M115 V118 F203 F204 T209 A213 L214 V215	M111-L211 HydrophobicContact CG-CB 3.85Å; Y114-L211 HydrophobicContact CG-CD2 4.26Å; M115-L211 HydrophobicContact CG-CB 4.18Å; M115-L211 HydrophobicContact CG-CD1 3.87Å; V118-L211 HydrophobicContact CG2-CD1 4.41Å; F203-L211 HydrophobicContact CB-CD2 3.74Å; F203-L211 HydrophobicContact CB-CG 4.42Å; F203-L211 HydrophobicContact CD1-CD2 4.03Å; F203-L211 HydrophobicContact CD2-CD2 4.27Å; F203-L211 HydrophobicContact CD2-CG 4.22Å; F203-L211 HydrophobicContact CG-CD2 3.75Å; F203-L211 HydrophobicContact CG-CG 4.2Å; F204-L211 HydrophobicContact CD2-CD2 4.21Å; F204-L211 HydrophobicContact CE2-CD2 3.66Å; T209-L211 PolarHBondContact O-N 2.9Å; T209-L211 PolarHBondContact OG1-N 3.29Å; L211-A213 VanDerWaalsContact C-N 3.31Å; L211-A213 PolarHBondContact O-N 2.9Å; L211-L214 PolarHBondContact O-N 3.16Å; L211-V215 HydrophobicContact CD1-CG2 3.76Å; L211-V215 HydrophobicContact CG-CG2 4.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.16Å; L211-V215 PolarHBondContact O-N 3.5Å
212	D	98.5	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-42.5	179.2	-60	-87.9	0	0	0	110.8	M50 Y202 F203 P208 T209 F216 F245 I249	M50-D212 HydrophobicContact CE-CB 4.37Å; Y202-D212 WeakPolarHBondContact CA-OD1 3.36Å; Y202-D212 VanDerWaalsContact CB-OD1 3.22Å; Y202-D212 WeakPolarHBondContact CB-OD1 3.37Å; Y202-D212 HydrophobicContact CD1-CB 4.29Å; F203-D212 VanDerWaalsContact CD2-OD1 3.3Å; F203-D212 WeakPolarHBondContact CD2-OD1 3.24Å; F203-D212 PolarHBondContact N-OD1 3Å; P208-D212 HydrophobicContact CB-CB 4.2Å; T209-D212 WeakPolarHBondContact CB-OD2 3.21Å; T209-D212 PolarHBondContact N-OD2 3.24Å; T209-D212 WeakPolarHBondContact O-CB 2.98Å; T209-D212 PolarHBondContact O-N 3.32Å; T209-D212 PolarHBondContact OG1-OD2 2.93Å; D212-F216 WeakPolarHBondContact O-CB 3.41Å; D212-F216 PolarHBondContact O-N 3.42Å; D212-F245 HydrophobicContact CB-CE2 4.06Å; D212-F245 HydrophobicContact CB-CZ 4.01Å; D212-F245 WeakPolarHBondContact O-CZ 3.22Å; D212-F245 WeakPolarHBondContact OD1-CE2 3.44Å; D212-I249 HydrophobicContact CB-CD1 4.32Å
213	A	98.4	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-46.3	174.6	0	0	0	0	0	112.3	A43 A46 M50 T209 L211 G217	A43-A213 WeakPolarHBondContact CA-O 3.38Å; A46-A213 HydrophobicContact CB-CB 4.02Å; M50-A213 HydrophobicContact CE-CB 4.43Å; M50-A213 HydrophobicContact SD-CB 3.85Å; T209-A213 PolarHBondContact O-N 3.38Å; L211-A213 VanDerWaalsContact C-N 3.31Å; L211-A213 PolarHBondContact O-N 2.9Å; A213-G217 PolarHBondContact O-N 3.28Å
214	L	98.6	Very high	95.1	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-50.9	179.3	-176.4	63.8	0	0	0	111.9	A43 L85 M115 V118 E210 L211 F216 G217 H218	A43-L214 HydrophobicContact CB-CD1 4.29Å; L85-L214 HydrophobicContact CD2-CB 3.74Å; L85-L214 HydrophobicContact CD2-CD1 3.8Å; L85-L214 HydrophobicContact CD2-CG 4.22Å; M115-L214 HydrophobicContact CB-CD2 3.93Å; M115-L214 HydrophobicContact CE-CD2 4.19Å; M115-L214 HydrophobicContact CG-CD2 4.03Å; V118-L214 HydrophobicContact CB-CD2 3.95Å; V118-L214 HydrophobicContact CB-CG 4.32Å; V118-L214 HydrophobicContact CG1-CD1 4.41Å; V118-L214 HydrophobicContact CG1-CD2 3.9Å; V118-L214 HydrophobicContact CG1-CG 3.74Å; E210-L214 WeakPolarHBondContact O-CB 3.43Å; E210-L214 PolarHBondContact O-N 3.35Å; E210-L214 VanDerWaalsContact O-N 3.09Å; L211-L214 PolarHBondContact O-N 3.16Å; L214-F216 VanDerWaalsContact C-N 3.33Å; L214-F216 PolarHBondContact O-N 3.45Å; L214-G217 PolarHBondContact O-N 3.49Å; L214-H218 PolarHBondContact O-CD2 3.47Å; L214-H218 VanDerWaalsContact O-CD2 3.27Å; L214-H218 PolarHBondContact O-N 2.91Å
215	V	98.6	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-43.6	179.9	174.2	0	0	0	0	110.6	V118 L193 F203 L211 H218 L219 F245	V118-V215 HydrophobicContact CG2-CG2 3.73Å; L193-V215 HydrophobicContact CD1-CG1 4.21Å; L193-V215 HydrophobicContact CD1-CG2 4.31Å; L193-V215 HydrophobicContact CD2-CG2 3.91Å; F203-V215 HydrophobicContact CE2-CB 3.88Å; F203-V215 HydrophobicContact CE2-CG1 3.82Å; F203-V215 HydrophobicContact CE2-CG2 3.81Å; F203-V215 HydrophobicContact CZ-CB 4.3Å; F203-V215 HydrophobicContact CZ-CG1 3.9Å; F203-V215 HydrophobicContact CZ-CG2 3.98Å; L211-V215 HydrophobicContact CD1-CG2 3.76Å; L211-V215 HydrophobicContact CG-CG2 4.17Å; L211-V215 WeakPolarHBondContact O-CG2 3.16Å; L211-V215 PolarHBondContact O-N 3.5Å; V215-H218 PolarHBondContact O-N 3.2Å; V215-L219 HydrophobicContact CG1-CD1 3.5Å; V215-L219 VanDerWaalsContact CG1-CD1 3.5Å; V215-L219 HydrophobicContact CG1-CG 3.97Å; V215-L219 WeakPolarHBondContact O-CB 3.14Å; V215-L219 WeakPolarHBondContact O-CG 3.15Å; V215-L219 PolarHBondContact O-N 2.88Å; V215-F245 HydrophobicContact CB-CE1 4.19Å; V215-F245 HydrophobicContact CB-CZ 4.39Å; V215-F245 HydrophobicContact CG1-CE1 3.81Å; V215-F245 HydrophobicContact CG1-CZ 4.4Å
216	F	98.6	Very high	94.9	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-50.4	175.3	170.8	-101.3	0	0	0	111.6	A46 D212 L214 H218 L219 F220 F245 C246 I249 E250 F254	A46-F216 HydrophobicContact CB-CD1 3.8Å; A46-F216 HydrophobicContact CB-CE1 4.29Å; D212-F216 WeakPolarHBondContact O-CB 3.41Å; D212-F216 PolarHBondContact O-N 3.42Å; L214-F216 VanDerWaalsContact C-N 3.33Å; L214-F216 PolarHBondContact O-N 3.45Å; F216-H218 VanDerWaalsContact C-N 3.33Å; F216-H218 PolarHBondContact O-N 2.89Å; F216-L219 PolarHBondContact O-N 3.32Å; F216-F220 HydrophobicContact CD2-CB 4.15Å; F216-F220 HydrophobicContact CD2-CD2 4.45Å; F216-F220 HydrophobicContact CE2-CB 3.9Å; F216-F220 AromaticContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CE2 4.29Å; F216-F220 AromaticContact CE2-CG 3.87Å; F216-F220 HydrophobicContact CE2-CG 3.87Å; F216-F220 HydrophobicContact CZ-CB 4.1Å; F216-F220 HydrophobicContact CZ-CD1 4.44Å; F216-F220 AromaticContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CE2 4.34Å; F216-F220 AromaticContact CZ-CG 3.85Å; F216-F220 HydrophobicContact CZ-CG 3.85Å; F216-F220 WeakPolarHBondContact O-CB 3.28Å; F216-F220 PolarHBondContact O-N 2.62Å; F216-F245 HydrophobicContact CB-CE1 4.18Å; F216-C246 HydrophobicContact CD2-CB 4.32Å; F216-C246 WeakPolarHBondContact CE2-O 3.22Å; F216-I249 HydrophobicContact CB-CD1 3.77Å; F216-I249 HydrophobicContact CB-CG2 4.11Å; F216-I249 HydrophobicContact CD1-CG2 3.75Å; F216-I249 HydrophobicContact CD2-CB 3.62Å; F216-I249 HydrophobicContact CD2-CD1 4.31Å; F216-I249 HydrophobicContact CD2-CG2 3.5Å; F216-I249 VanDerWaalsContact CD2-CG2 3.5Å; F216-I249 HydrophobicContact CE1-CG2 4Å; F216-I249 HydrophobicContact CE2-CB 3.94Å; F216-I249 HydrophobicContact CE2-CG2 3.75Å; F216-I249 HydrophobicContact CG-CB 4.05Å; F216-I249 HydrophobicContact CG-CD1 4.23Å; F216-I249 HydrophobicContact CG-CG2 3.49Å; F216-I249 VanDerWaalsContact CG-CG2 3.49Å; F216-I249 HydrophobicContact CZ-CG2 3.99Å; F216-E250 HydrophobicContact CE2-CB 4.24Å; F216-E250 HydrophobicContact CZ-CB 4.43Å; F216-F254 HydrophobicContact CD1-CE2 4.29Å; F216-F254 HydrophobicContact CD1-CZ 4.44Å; F216-F254 HydrophobicContact CE1-CD2 4.17Å; F216-F254 HydrophobicContact CE1-CE1 4.29Å; F216-F254 AromaticContact CE1-CE2 3.45Å; F216-F254 HydrophobicContact CE1-CE2 3.45Å; F216-F254 VanDerWaalsContact CE1-CE2 3.45Å; F216-F254 AromaticContact CE1-CZ 3.56Å; F216-F254 HydrophobicContact CE1-CZ 3.56Å; F216-F254 HydrophobicContact CZ-CD2 4.13Å; F216-F254 AromaticContact CZ-CE2 3.88Å; F216-F254 HydrophobicContact CZ-CE2 3.88Å; F216-F254 HydrophobicContact CZ-CZ 4.25Å
217	G	97.9	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.4	-47.9	-178.4	0	0	0	0	0	112.4	A39 A213 L214 T221	A39-G217 WeakPolarHBondContact CA-O 3.42Å; A213-G217 PolarHBondContact O-N 3.28Å; L214-G217 PolarHBondContact O-N 3.49Å; G217-T221 VanDerWaalsContact O-CB 3.25Å; G217-T221 WeakPolarHBondContact O-CB 3.5Å; G217-T221 PolarHBondContact O-N 2.74Å; G217-T221 PolarHBondContact O-OG1 2.8Å
218	H	98.1	Very high	94.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-55.5	178.6	-74.1	-70.7	0	0	0	113	A39 V118 L122 E126 L214 V215 F216 F220 T221 I222	A39-H218 WeakPolarHBondContact CB-ND1 3.23Å; V118-H218 VanDerWaalsContact CG1-CD2 3.48Å; V118-H218 WeakPolarHBondContact CG1-CD2 3.37Å; L122-H218 HydrophobicContact CB-CB 4.11Å; L122-H218 HydrophobicContact CD1-CB 3.73Å; E126-H218 IonicContact OE1-CE1 2.71Å; E126-H218 IonicContact OE1-CG 3.84Å; E126-H218 IonicContact OE1-ND1 3.34Å; E126-H218 PolarHBondContact OE1-ND1 3.44Å; E126-H218 IonicContact OE2-CE1 3.87Å; E126-H218 PolarHBondContact OE2-CE1 3.05Å; E126-H218 IonicContact OE2-ND1 2.83Å; E126-H218 PolarHBondContact OE2-ND1 3.32Å; L214-H218 PolarHBondContact O-CD2 3.47Å; L214-H218 VanDerWaalsContact O-CD2 3.27Å; L214-H218 PolarHBondContact O-N 2.91Å; V215-H218 PolarHBondContact O-N 3.2Å; F216-H218 VanDerWaalsContact C-N 3.33Å; F216-H218 PolarHBondContact O-N 2.89Å; H218-F220 PolarHBondContact O-N 3.3Å; H218-T221 PolarHBondContact O-N 3.31Å; H218-I222 VanDerWaalsContact O-CG1 3.3Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 3.05Å
219	L	97.8	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-44.9	-175.8	-65.1	-175.7	0	0	0	111.8	L122 V215 F216 T221 I222 L223 I236 L242	L122-L219 HydrophobicContact CD1-CD2 3.97Å; V215-L219 HydrophobicContact CG1-CD1 3.5Å; V215-L219 VanDerWaalsContact CG1-CD1 3.5Å; V215-L219 HydrophobicContact CG1-CG 3.97Å; V215-L219 WeakPolarHBondContact O-CB 3.14Å; V215-L219 WeakPolarHBondContact O-CG 3.15Å; V215-L219 PolarHBondContact O-N 2.88Å; F216-L219 PolarHBondContact O-N 3.32Å; L219-T221 VanDerWaalsContact C-N 3.32Å; L219-T221 PolarHBondContact O-N 3.32Å; L219-I222 PolarHBondContact O-N 2.65Å; L219-L223 WeakPolarHBondContact O-CB 3.21Å; L219-L223 WeakPolarHBondContact O-CD1 3.38Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.06Å; L219-I236 HydrophobicContact CD2-CD1 3.97Å; L219-I236 HydrophobicContact CD2-CG2 4.11Å; L219-L242 HydrophobicContact CD1-CB 4.07Å; L219-L242 HydrophobicContact CD1-CD1 4.1Å; L219-L242 HydrophobicContact CD1-CD2 4.3Å; L219-L242 HydrophobicContact CD1-CG 4.4Å
220	F	96.6	Very high	93.2	Very high	12 Å²	12	29 Å²	29	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-44	179	-170.8	-89.2	0	0	0	111.4	L42 F216 H218 L223 T224 E250 P270 L272	L42-F220 HydrophobicContact CD1-CD1 3.87Å; L42-F220 HydrophobicContact CD1-CE1 4.49Å; F216-F220 HydrophobicContact CD2-CB 4.15Å; F216-F220 HydrophobicContact CD2-CD2 4.45Å; F216-F220 HydrophobicContact CE2-CB 3.9Å; F216-F220 AromaticContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CE2 4.29Å; F216-F220 AromaticContact CE2-CG 3.87Å; F216-F220 HydrophobicContact CE2-CG 3.87Å; F216-F220 HydrophobicContact CZ-CB 4.1Å; F216-F220 HydrophobicContact CZ-CD1 4.44Å; F216-F220 AromaticContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CD2 3.81Å; F216-F220 HydrophobicContact CZ-CE2 4.34Å; F216-F220 AromaticContact CZ-CG 3.85Å; F216-F220 HydrophobicContact CZ-CG 3.85Å; F216-F220 WeakPolarHBondContact O-CB 3.28Å; F216-F220 PolarHBondContact O-N 2.62Å; H218-F220 PolarHBondContact O-N 3.3Å; F220-L223 PolarHBondContact O-N 3.33Å; F220-T224 HydrophobicContact CD1-CG2 4.14Å; F220-T224 HydrophobicContact CE1-CG2 3.8Å; F220-T224 HydrophobicContact CE2-CG2 4.27Å; F220-T224 HydrophobicContact CZ-CG2 3.88Å; F220-T224 WeakPolarHBondContact O-CB 3.23Å; F220-T224 WeakPolarHBondContact O-CG2 3.34Å; F220-T224 PolarHBondContact O-N 2.67Å; F220-T224 PolarHBondContact O-OG1 3.05Å; F220-E250 HydrophobicContact CE2-CB 4.21Å; F220-E250 VanDerWaalsContact CE2-CD 3.42Å; F220-E250 HydrophobicContact CE2-CG 4.1Å; F220-E250 WeakPolarHBondContact CE2-OE1 3.44Å; F220-E250 HydrophobicContact CZ-CG 4.46Å; F220-E250 VanDerWaalsContact CZ-OE1 3.23Å; F220-E250 WeakPolarHBondContact CZ-OE1 3.4Å; F220-P270 VanDerWaalsContact CZ-O 3.28Å; F220-P270 WeakPolarHBondContact CZ-O 3.33Å; F220-L272 HydrophobicContact CD2-CD1 3.69Å; F220-L272 HydrophobicContact CD2-CG 3.91Å; F220-L272 HydrophobicContact CE2-CD1 3.69Å; F220-L272 HydrophobicContact CE2-CD2 4.49Å; F220-L272 HydrophobicContact CE2-CG 3.58Å; F220-L272 HydrophobicContact CZ-CG 4.45Å
221	T	94.8	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-45.2	179.9	-57.8	0	0	0	0	111.5	L35 C38 A39 L42 G217 H218 L219 L223 T224 T225	L35-T221 HydrophobicContact CD1-CG2 3.64Å; L35-T221 HydrophobicContact CG-CG2 4.39Å; L35-T221 WeakPolarHBondContact O-CG2 3.35Å; C38-T221 HydrophobicContact CB-CG2 3.73Å; A39-T221 VanDerWaalsContact CA-OG1 3.24Å; A39-T221 WeakPolarHBondContact CA-OG1 3.38Å; A39-T221 HydrophobicContact CB-CG2 4.2Å; A39-T221 PolarHBondContact N-OG1 3.49Å; L42-T221 WeakPolarHBondContact CD1-OG1 3.48Å; G217-T221 VanDerWaalsContact O-CB 3.25Å; G217-T221 WeakPolarHBondContact O-CB 3.5Å; G217-T221 PolarHBondContact O-N 2.74Å; G217-T221 PolarHBondContact O-OG1 2.8Å; H218-T221 PolarHBondContact O-N 3.31Å; L219-T221 VanDerWaalsContact C-N 3.32Å; L219-T221 PolarHBondContact O-N 3.32Å; T221-L223 VanDerWaalsContact C-N 3.3Å; T221-L223 PolarHBondContact O-N 2.88Å; T221-T224 PolarHBondContact O-N 3.45Å; T221-T225 WeakPolarHBondContact CG2-OG1 3.12Å; T221-T225 WeakPolarHBondContact O-CB 3.42Å; T221-T225 PolarHBondContact O-N 3.42Å; T221-T225 PolarHBondContact O-OG1 3.33Å
222	I	94.6	Very high	92.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-40.2	177.9	-64.8	164.7	0	0	0	110.8	E126 H218 L219 T224 L232 I236	E126-I222 HydrophobicContact CG-CD1 4.37Å; E126-I222 HydrophobicContact CG-CG1 4.35Å; H218-I222 VanDerWaalsContact O-CG1 3.3Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 3.05Å; L219-I222 PolarHBondContact O-N 2.65Å; I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 PolarHBondContact O-N 3.31Å; I222-L232 HydrophobicContact CD1-CD2 4.39Å; I222-L232 HydrophobicContact CG1-CD2 4.38Å; I222-L232 HydrophobicContact CG2-CB 4.48Å; I222-L232 HydrophobicContact CG2-CD2 3.57Å; I222-L232 HydrophobicContact CG2-CG 3.66Å; I222-I236 HydrophobicContact CB-CD1 3.83Å; I222-I236 HydrophobicContact CD1-CD1 3.92Å; I222-I236 HydrophobicContact CG1-CD1 4.49Å; I222-I236 HydrophobicContact CG2-CD1 3.41Å; I222-I236 VanDerWaalsContact CG2-CD1 3.41Å
223	L	93.9	Very high	92.3	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.141	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-25.5	-179.3	-72.3	167.4	0	0	0	113.9	L219 F220 T221 I236 K237 L243 L272	L219-L223 WeakPolarHBondContact O-CB 3.21Å; L219-L223 WeakPolarHBondContact O-CD1 3.38Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.06Å; F220-L223 PolarHBondContact O-N 3.33Å; T221-L223 VanDerWaalsContact C-N 3.3Å; T221-L223 PolarHBondContact O-N 2.88Å; L223-I236 HydrophobicContact CD1-CG2 4.07Å; L223-I236 HydrophobicContact CD2-CB 4.04Å; L223-I236 HydrophobicContact CD2-CG2 3.84Å; L223-I236 HydrophobicContact CG-CG2 4.03Å; L223-K237 HydrophobicContact CD2-CG 3.85Å; L223-L243 HydrophobicContact CD1-CD2 3.54Å; L223-L243 HydrophobicContact CD2-CD2 3.93Å; L223-L243 HydrophobicContact CG-CD2 4.41Å; L223-L272 HydrophobicContact CB-CD2 3.69Å; L223-L272 HydrophobicContact CD1-CD2 3.97Å; L223-L272 HydrophobicContact CG-CD2 4.44Å
224	T	90.3	Very high	92	Very high	27 Å²	27	37.4 Å²	37.4	17%	0.166	19%	0.187	C	C	.	.	H	α-helix	trans	-111.3	-15	-171.4	57.8	0	0	0	0	114.2	F220 T221 I222 P270 L272	F220-T224 HydrophobicContact CD1-CG2 4.14Å; F220-T224 HydrophobicContact CE1-CG2 3.8Å; F220-T224 HydrophobicContact CE2-CG2 4.27Å; F220-T224 HydrophobicContact CZ-CG2 3.88Å; F220-T224 WeakPolarHBondContact O-CB 3.23Å; F220-T224 WeakPolarHBondContact O-CG2 3.34Å; F220-T224 PolarHBondContact O-N 2.67Å; F220-T224 PolarHBondContact O-OG1 3.05Å; T221-T224 PolarHBondContact O-N 3.45Å; I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 PolarHBondContact O-N 3.31Å; T224-P270 HydrophobicContact CG2-CB 4.26Å; T224-P270 HydrophobicContact CG2-CG 4.34Å; T224-L272 HydrophobicContact CG2-CD2 3.91Å; T224-L272 HydrophobicContact CG2-CG 4.28Å
225	T	87.1	Confident	91.8	Very high	47 Å²	47	39.6 Å²	39.6	29%	0.288	20%	0.196	S	C	.	.	S	Bend	trans	-87.8	129.8	178.4	-57.2	0	0	0	0	110.2	L35 T221 L227	L35-T225 HydrophobicContact CD1-CG2 3.76Å; T221-T225 WeakPolarHBondContact CG2-OG1 3.12Å; T221-T225 WeakPolarHBondContact O-CB 3.42Å; T221-T225 PolarHBondContact O-N 3.42Å; T221-T225 PolarHBondContact O-OG1 3.33Å; T225-L227 HydrophobicContact CG2-CD2 4.2Å; T225-L227 PolarHBondContact O-N 2.66Å
226	R	80.9	Confident	91.6	Very high	229 Å²	229	39.7 Å²	39.7	86%	0.864	20%	0.196	S	C	*	.			trans	-73.9	117.2	171.1	-65.1	-174.5	-177.9	-171.2	-0.5	109.6
227	L	80.4	Confident	91.4	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.152	22%	0.216	C	C	.	.			trans	-103.6	177.3	171.4	-61.7	177.6	0	0	0	109.8	L35 I129 T225 S229 L232	L35-L227 HydrophobicContact CD1-CD2 4.27Å; L35-L227 HydrophobicContact CD2-CD1 4.04Å; L35-L227 HydrophobicContact CD2-CD2 4.01Å; I129-L227 HydrophobicContact CG2-CD1 4.45Å; T225-L227 HydrophobicContact CG2-CD2 4.2Å; T225-L227 PolarHBondContact O-N 2.66Å; L227-S229 PolarHBondContact O-N 3.02Å; L227-L232 HydrophobicContact CD1-CD2 4.49Å
228	T	83.2	Confident	91.3	Very high	58 Å²	58	48.3 Å²	48.3	36%	0.356	25%	0.245	S	C	.	.	S	Bend	trans	-67.5	-23.9	173.6	51.3	0	0	0	0	112.4	T135 T136 I140	T135-T228 HydrophobicContact CG2-CG2 4.19Å; T136-T228 WeakPolarHBondContact OG1-CG2 3.18Å; T136-T228 PolarHBondContact OG1-OG1 2.8Å; I140-T228 HydrophobicContact CD1-CG2 3.82Å; I140-T228 HydrophobicContact CG1-CG2 4.4Å
229	S	87	Confident	91.3	Very high	43 Å²	43	50 Å²	50	30%	0.301	25%	0.251	S	S	.	.			trans	-133.7	137	174.7	176.2	0	0	0	0	110.6	L227 E231	L227-S229 PolarHBondContact O-N 3.02Å; S229-E231 VanDerWaalsContact C-N 3.34Å; S229-E231 WeakPolarHBondContact OG-CB 3.3Å; S229-E231 PolarHBondContact OG-N 3.5Å
230	D	86.9	Confident	91.2	Very high	113 Å²	113	54.3 Å²	54.3	60%	0.604	28%	0.282	S	S	*	.	S	Bend	trans	-85.2	-5.7	176.9	-67.4	-35.5	0	0	0	113.1	L232 G233 E234	D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.16Å; D230-G233 WeakPolarHBondContact O-CA 3.35Å; D230-G233 PolarHBondContact O-N 3.41Å; D230-E234 PolarHBondContact O-N 3.37Å
231	E	90.9	Very high	91.3	Very high	76 Å²	76	55.4 Å²	55.4	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-40	-171.5	-171.8	-176.6	162.5	0	0	113.2	Y183 S229 G233 E234 K235	Y183-E231 HydrophobicContact CD2-CB 4.16Å; Y183-E231 VanDerWaalsContact CD2-CD 3.43Å; Y183-E231 HydrophobicContact CD2-CG 3.92Å; Y183-E231 HydrophobicContact CE2-CB 3.84Å; Y183-E231 HydrophobicContact CE2-CG 4.09Å; Y183-E231 WeakPolarHBondContact CE2-OE2 3.28Å; S229-E231 VanDerWaalsContact C-N 3.34Å; S229-E231 WeakPolarHBondContact OG-CB 3.3Å; S229-E231 PolarHBondContact OG-N 3.5Å; E231-G233 PolarHBondContact O-N 3.37Å; E231-E234 PolarHBondContact O-N 3.25Å; E231-K235 PolarHBondContact O-N 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.39Å
232	L	91.2	Very high	91.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-45.1	176.9	-177.1	63.6	0	0	0	111.5	I129 Y183 V186 I222 L227 D230 K235 I236	I129-L232 HydrophobicContact CD1-CD2 3.57Å; Y183-L232 HydrophobicContact CD1-CB 4.08Å; Y183-L232 HydrophobicContact CD1-CD1 3.84Å; Y183-L232 HydrophobicContact CD1-CG 4.44Å; Y183-L232 HydrophobicContact CE1-CB 3.94Å; Y183-L232 HydrophobicContact CE1-CD1 4.41Å; V186-L232 HydrophobicContact CB-CD1 3.8Å; V186-L232 HydrophobicContact CG1-CD1 3.6Å; V186-L232 HydrophobicContact CG2-CD1 4.01Å; I222-L232 HydrophobicContact CD1-CD2 4.39Å; I222-L232 HydrophobicContact CG1-CD2 4.38Å; I222-L232 HydrophobicContact CG2-CB 4.48Å; I222-L232 HydrophobicContact CG2-CD2 3.57Å; I222-L232 HydrophobicContact CG2-CG 3.66Å; L227-L232 HydrophobicContact CD1-CD2 4.49Å; D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 3.16Å; L232-K235 PolarHBondContact O-N 2.64Å; L232-I236 WeakPolarHBondContact O-CG1 3.04Å; L232-I236 PolarHBondContact O-N 3.3Å; L232-I236 VanDerWaalsContact O-N 3.16Å
233	G	92.6	Very high	91.6	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-43	176.4	0	0	0	0	0	111.5	D230 E231 K235 I236 K237	D230-G233 WeakPolarHBondContact O-CA 3.35Å; D230-G233 PolarHBondContact O-N 3.41Å; E231-G233 PolarHBondContact O-N 3.37Å; G233-K235 PolarHBondContact O-N 3.41Å; G233-I236 PolarHBondContact O-N 2.96Å; G233-K237 VanDerWaalsContact O-CG 3.3Å; G233-K237 WeakPolarHBondContact O-CG 3.41Å; G233-K237 PolarHBondContact O-N 3.35Å
234	E	92.7	Very high	91.8	Very high	102 Å²	102	57.1 Å²	57.1	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-40.1	176.8	-67.7	-52	127.6	0	0	112.8	D230 E231 I236 K237 S238	D230-E234 PolarHBondContact O-N 3.37Å; E231-E234 PolarHBondContact O-N 3.25Å; E234-I236 VanDerWaalsContact C-N 3.34Å; E234-I236 PolarHBondContact O-N 3.48Å; E234-K237 PolarHBondContact O-N 3.21Å; E234-K237 WeakPolarHBondContact OE1-CD 3.24Å; E234-K237 IonicContact OE1-NZ 3.28Å; E234-K237 PolarHBondContact OE1-NZ 3.01Å; E234-S238 PolarHBondContact O-N 3.45Å
235	K	92.9	Very high	92.1	Very high	52 Å²	52	55.9 Å²	55.9	23%	0.226	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-37.3	173.3	-76.5	173.8	-179	-82.1	0	112.6	E184 E231 L232 G233 S238 Y239	E184-K235 IonicContact OE2-NZ 2.66Å; E231-K235 PolarHBondContact O-N 3.38Å; E231-K235 WeakPolarHBondContact OE1-CE 3.39Å; L232-K235 PolarHBondContact O-N 2.64Å; G233-K235 PolarHBondContact O-N 3.41Å; K235-S238 PolarHBondContact O-OG 2.86Å; K235-Y239 VanDerWaalsContact O-CD2 3.31Å; K235-Y239 WeakPolarHBondContact O-CD2 3.25Å; K235-Y239 WeakPolarHBondContact O-CE2 3.45Å
236	I	94.6	Very high	92.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-36.8	175.5	-63.3	176.1	0	0	0	110.5	L219 I222 L223 L232 G233 E234 S238 Y239	L219-I236 HydrophobicContact CD2-CD1 3.97Å; L219-I236 HydrophobicContact CD2-CG2 4.11Å; I222-I236 HydrophobicContact CB-CD1 3.83Å; I222-I236 HydrophobicContact CD1-CD1 3.92Å; I222-I236 HydrophobicContact CG1-CD1 4.49Å; I222-I236 HydrophobicContact CG2-CD1 3.41Å; I222-I236 VanDerWaalsContact CG2-CD1 3.41Å; L223-I236 HydrophobicContact CD1-CG2 4.07Å; L223-I236 HydrophobicContact CD2-CB 4.04Å; L223-I236 HydrophobicContact CD2-CG2 3.84Å; L223-I236 HydrophobicContact CG-CG2 4.03Å; L232-I236 WeakPolarHBondContact O-CG1 3.04Å; L232-I236 PolarHBondContact O-N 3.3Å; L232-I236 VanDerWaalsContact O-N 3.16Å; G233-I236 PolarHBondContact O-N 2.96Å; E234-I236 VanDerWaalsContact C-N 3.34Å; E234-I236 PolarHBondContact O-N 3.48Å; I236-S238 PolarHBondContact O-N 3.19Å; I236-Y239 PolarHBondContact O-N 3.17Å
237	K	95.1	Very high	93.4	Very high	97 Å²	97	46.7 Å²	46.7	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-21.9	179.7	-73.2	170.6	-168.5	171.5	0	113.8	L223 G233 E234 Y239 L243	L223-K237 HydrophobicContact CD2-CG 3.85Å; G233-K237 VanDerWaalsContact O-CG 3.3Å; G233-K237 WeakPolarHBondContact O-CG 3.41Å; G233-K237 PolarHBondContact O-N 3.35Å; E234-K237 PolarHBondContact O-N 3.21Å; E234-K237 WeakPolarHBondContact OE1-CD 3.24Å; E234-K237 IonicContact OE1-NZ 3.28Å; E234-K237 PolarHBondContact OE1-NZ 3.01Å; K237-Y239 PolarHBondContact O-N 2.95Å; K237-L243 HydrophobicContact CB-CD1 4.38Å; K237-L243 HydrophobicContact CG-CD1 4.49Å; K237-L243 HydrophobicContact CG-CD2 4.44Å
238	S	95.9	Very high	94.1	Very high	86 Å²	86	48.8 Å²	48.8	60%	0.601	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	173.6	67	0	0	0	0	113.7	E234 K235 I236 S240	E234-S238 PolarHBondContact O-N 3.45Å; K235-S238 PolarHBondContact O-OG 2.86Å; I236-S238 PolarHBondContact O-N 3.19Å; S238-S240 PolarHBondContact O-N 3.06Å
239	Y	97.4	Very high	94.7	Very high	35 Å²	35	46 Å²	46	14%	0.137	25%	0.245	C	C	.	.			trans	-97.6	82.3	178.6	-59.9	-83.9	0	0	0	111.2	S187 C190 Q191 K235 I236 K237 N241 L242 L243	S187-Y239 PolarHBondContact O-OH 2.82Å; S187-Y239 VanDerWaalsContact O-OH 3.04Å; S187-Y239 PolarHBondContact OG-OH 3.27Å; S187-Y239 VanDerWaalsContact OG-OH 3.12Å; C190-Y239 HydrophobicContact CB-CD2 3.71Å; C190-Y239 HydrophobicContact CB-CE2 3.55Å; C190-Y239 HydrophobicContact CB-CG 4.29Å; Q191-Y239 HydrophobicContact CB-CE1 4.02Å; K235-Y239 VanDerWaalsContact O-CD2 3.31Å; K235-Y239 WeakPolarHBondContact O-CD2 3.25Å; K235-Y239 WeakPolarHBondContact O-CE2 3.45Å; I236-Y239 PolarHBondContact O-N 3.17Å; K237-Y239 PolarHBondContact O-N 2.95Å; Y239-N241 VanDerWaalsContact C-N 3.29Å; Y239-N241 PolarHBondContact O-N 3.04Å; Y239-L242 HydrophobicContact CG-CD1 4.22Å; Y239-L242 WeakPolarHBondContact O-CB 3.46Å; Y239-L242 PolarHBondContact O-N 3.41Å; Y239-L243 PolarHBondContact O-N 2.89Å; Y239-L243 VanDerWaalsContact O-N 3.13Å
240	S	97.3	Very high	95.2	Very high	92 Å²	92	44.8 Å²	44.8	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-59	-33.5	-173.7	61.5	0	0	0	0	114.7	S238 L243 A244	S238-S240 PolarHBondContact O-N 3.06Å; S240-L243 PolarHBondContact O-N 3.32Å; S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.43Å
241	N	97.8	Very high	95.5	Very high	35 Å²	35	44.2 Å²	44.2	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-34.9	176.6	66.4	-24.1	0	0	0	112.6	S194 L197 G198 Y239 A244 F245	S194-N241 PolarHBondContact O-ND2 3.25Å; S194-N241 VanDerWaalsContact OG-CG 3.28Å; S194-N241 PolarHBondContact OG-ND2 3.46Å; S194-N241 VanDerWaalsContact OG-ND2 3.1Å; S194-N241 PolarHBondContact OG-OD1 2.94Å; L197-N241 HydrophobicContact CD2-CB 4.45Å; G198-N241 PolarHBondContact O-ND2 3.02Å; G198-N241 VanDerWaalsContact O-ND2 3.1Å; Y239-N241 VanDerWaalsContact C-N 3.29Å; Y239-N241 PolarHBondContact O-N 3.04Å; N241-A244 PolarHBondContact O-N 3.26Å; N241-F245 WeakPolarHBondContact O-CB 3.18Å; N241-F245 PolarHBondContact O-N 3.46Å
242	L	98.1	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-37.3	173.5	-65.4	-176.6	0	0	0	111.6	C190 L193 L197 F203 L219 Y239 F245 C246	C190-L242 HydrophobicContact CB-CD1 4.05Å; C190-L242 WeakPolarHBondContact O-CD1 3.26Å; L193-L242 HydrophobicContact CB-CD1 4.39Å; L193-L242 HydrophobicContact CB-CD2 4.24Å; L197-L242 HydrophobicContact CD2-CD2 3.94Å; F203-L242 HydrophobicContact CZ-CD2 4.45Å; L219-L242 HydrophobicContact CD1-CB 4.07Å; L219-L242 HydrophobicContact CD1-CD1 4.1Å; L219-L242 HydrophobicContact CD1-CD2 4.3Å; L219-L242 HydrophobicContact CD1-CG 4.4Å; Y239-L242 HydrophobicContact CG-CD1 4.22Å; Y239-L242 WeakPolarHBondContact O-CB 3.46Å; Y239-L242 PolarHBondContact O-N 3.41Å; L242-F245 WeakPolarHBondContact O-CB 3.27Å; L242-F245 PolarHBondContact O-N 2.66Å; L242-C246 PolarHBondContact O-N 3.12Å; L242-C246 PolarHBondContact O-SG 3.48Å
243	L	97.7	Very high	95.8	Very high	24 Å²	24	45.1 Å²	45.1	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-45.6	171.9	-64.1	-176	0	0	0	111.7	L223 K237 Y239 S240 F245 C246 R247	L223-L243 HydrophobicContact CD1-CD2 3.54Å; L223-L243 HydrophobicContact CD2-CD2 3.93Å; L223-L243 HydrophobicContact CG-CD2 4.41Å; K237-L243 HydrophobicContact CB-CD1 4.38Å; K237-L243 HydrophobicContact CG-CD1 4.49Å; K237-L243 HydrophobicContact CG-CD2 4.44Å; Y239-L243 PolarHBondContact O-N 2.89Å; Y239-L243 VanDerWaalsContact O-N 3.13Å; S240-L243 PolarHBondContact O-N 3.32Å; L243-F245 VanDerWaalsContact C-N 3.29Å; L243-F245 PolarHBondContact O-N 2.87Å; L243-C246 PolarHBondContact O-N 3.46Å; L243-R247 WeakPolarHBondContact O-CG 3.3Å; L243-R247 PolarHBondContact O-N 2.94Å
244	A	97.3	Very high	95.8	Very high	43 Å²	43	46.4 Å²	46.4	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-38.2	176.5	0	0	0	0	0	111.8	S240 N241 R248	S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.43Å; N241-A244 PolarHBondContact O-N 3.26Å; A244-R248 WeakPolarHBondContact O-CB 3.32Å; A244-R248 PolarHBondContact O-N 2.9Å
245	F	98	Very high	95.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-49	172.6	164.1	-93.7	0	0	0	112.2	L197 Y202 F203 D212 V215 F216 N241 L242 L243 R247 R248 I249	L197-F245 HydrophobicContact CD1-CD2 4.09Å; L197-F245 HydrophobicContact CD2-CB 3.67Å; L197-F245 HydrophobicContact CD2-CD2 4.32Å; L197-F245 HydrophobicContact CD2-CG 4.14Å; Y202-F245 HydrophobicContact CD1-CE2 4.49Å; F203-F245 HydrophobicContact CD2-CE2 4.16Å; F203-F245 HydrophobicContact CD2-CZ 4.25Å; F203-F245 HydrophobicContact CE2-CE1 4.24Å; F203-F245 AromaticContact CE2-CE2 3.96Å; F203-F245 HydrophobicContact CE2-CE2 3.96Å; F203-F245 AromaticContact CE2-CZ 3.78Å; F203-F245 HydrophobicContact CE2-CZ 3.78Å; D212-F245 HydrophobicContact CB-CE2 4.06Å; D212-F245 HydrophobicContact CB-CZ 4.01Å; D212-F245 WeakPolarHBondContact O-CZ 3.22Å; D212-F245 WeakPolarHBondContact OD1-CE2 3.44Å; V215-F245 HydrophobicContact CB-CE1 4.19Å; V215-F245 HydrophobicContact CB-CZ 4.39Å; V215-F245 HydrophobicContact CG1-CE1 3.81Å; V215-F245 HydrophobicContact CG1-CZ 4.4Å; F216-F245 HydrophobicContact CB-CE1 4.18Å; N241-F245 WeakPolarHBondContact O-CB 3.18Å; N241-F245 PolarHBondContact O-N 3.46Å; L242-F245 WeakPolarHBondContact O-CB 3.27Å; L242-F245 PolarHBondContact O-N 2.66Å; L243-F245 VanDerWaalsContact C-N 3.29Å; L243-F245 PolarHBondContact O-N 2.87Å; F245-R247 PolarHBondContact O-N 3.28Å; F245-R248 PolarHBondContact O-N 3.14Å; F245-I249 HydrophobicContact CD1-CD1 4.4Å; F245-I249 HydrophobicContact CD2-CD1 4.1Å; F245-I249 HydrophobicContact CE1-CD1 3.74Å; F245-I249 HydrophobicContact CE2-CD1 3.4Å; F245-I249 HydrophobicContact CE2-CG1 4.4Å; F245-I249 HydrophobicContact CZ-CD1 3.18Å; F245-I249 HydrophobicContact CZ-CG1 4.48Å; F245-I249 PolarHBondContact O-N 2.97Å; F245-I249 VanDerWaalsContact O-N 3.15Å
246	C	97.6	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-46.4	179.7	-65.5	0	0	0	0	111.7	F216 L242 L243 R248 I249 E250 L272	F216-C246 HydrophobicContact CD2-CB 4.32Å; F216-C246 WeakPolarHBondContact CE2-O 3.22Å; L242-C246 PolarHBondContact O-N 3.12Å; L242-C246 PolarHBondContact O-SG 3.48Å; L243-C246 PolarHBondContact O-N 3.46Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 2.79Å; C246-I249 PolarHBondContact O-N 2.79Å; C246-E250 PolarHBondContact O-N 3.4Å; C246-L272 HydrophobicContact CB-CD1 3.78Å
247	R	96	Very high	91.7	Very high	83 Å²	83	53 Å²	53	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-41	176.5	-70.7	168	-176.8	170	1.1	112.3	L243 F245 I249 E250 Q251 L272 F273	L243-R247 WeakPolarHBondContact O-CG 3.3Å; L243-R247 PolarHBondContact O-N 2.94Å; F245-R247 PolarHBondContact O-N 3.28Å; R247-I249 PolarHBondContact O-N 3.02Å; R247-E250 PolarHBondContact O-N 3.22Å; R247-Q251 WeakPolarHBondContact O-CB 3.42Å; R247-Q251 VanDerWaalsContact O-CG 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.45Å; R247-Q251 PolarHBondContact O-N 3.06Å; R247-L272 HydrophobicContact CG-CB 4.43Å; R247-L272 HydrophobicContact CG-CD1 3.86Å; R247-F273 HydrophobicContact CG-CE2 4Å; R247-F273 VanDerWaalsContact NH2-CE1 3.28Å
248	R	96.1	Very high	89.3	Confident	74 Å²	74	53.8 Å²	53.8	28%	0.279	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-43.4	179.2	-167.5	-174.1	-51.9	112.8	-2.9	111.8	P201 A244 F245 C246 S252	P201-R248 VanDerWaalsContact C-NH1 3.3Å; P201-R248 PolarHBondContact O-NH1 3.22Å; A244-R248 WeakPolarHBondContact O-CB 3.32Å; A244-R248 PolarHBondContact O-N 2.9Å; F245-R248 PolarHBondContact O-N 3.14Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 2.79Å; R248-S252 VanDerWaalsContact O-CB 3.29Å; R248-S252 WeakPolarHBondContact O-CB 3.17Å; R248-S252 PolarHBondContact O-N 3.26Å; R248-S252 PolarHBondContact O-OG 3.34Å
249	I	96.6	Very high	86.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-42.2	178.9	-70.3	173.9	0	0	0	110.8	M50 Y202 D212 F216 F245 C246 R247 S252 Y253 F254	M50-I249 HydrophobicContact CE-CD1 3.79Å; M50-I249 HydrophobicContact CE-CG1 4.03Å; M50-I249 HydrophobicContact CE-CG2 3.78Å; Y202-I249 HydrophobicContact CE1-CG1 4.33Å; D212-I249 HydrophobicContact CB-CD1 4.32Å; F216-I249 HydrophobicContact CB-CD1 3.77Å; F216-I249 HydrophobicContact CB-CG2 4.11Å; F216-I249 HydrophobicContact CD1-CG2 3.75Å; F216-I249 HydrophobicContact CD2-CB 3.62Å; F216-I249 HydrophobicContact CD2-CD1 4.31Å; F216-I249 HydrophobicContact CD2-CG2 3.5Å; F216-I249 VanDerWaalsContact CD2-CG2 3.5Å; F216-I249 HydrophobicContact CE1-CG2 4Å; F216-I249 HydrophobicContact CE2-CB 3.94Å; F216-I249 HydrophobicContact CE2-CG2 3.75Å; F216-I249 HydrophobicContact CG-CB 4.05Å; F216-I249 HydrophobicContact CG-CD1 4.23Å; F216-I249 HydrophobicContact CG-CG2 3.49Å; F216-I249 VanDerWaalsContact CG-CG2 3.49Å; F216-I249 HydrophobicContact CZ-CG2 3.99Å; F245-I249 HydrophobicContact CD1-CD1 4.4Å; F245-I249 HydrophobicContact CD2-CD1 4.1Å; F245-I249 HydrophobicContact CE1-CD1 3.74Å; F245-I249 HydrophobicContact CE2-CD1 3.4Å; F245-I249 HydrophobicContact CE2-CG1 4.4Å; F245-I249 HydrophobicContact CZ-CD1 3.18Å; F245-I249 HydrophobicContact CZ-CG1 4.48Å; F245-I249 PolarHBondContact O-N 2.97Å; F245-I249 VanDerWaalsContact O-N 3.15Å; C246-I249 PolarHBondContact O-N 2.79Å; R247-I249 PolarHBondContact O-N 3.02Å; I249-S252 PolarHBondContact O-N 2.94Å; I249-Y253 HydrophobicContact CB-CD2 4.43Å; I249-Y253 HydrophobicContact CG2-CD2 3.97Å; I249-Y253 WeakPolarHBondContact O-CB 3.39Å; I249-Y253 WeakPolarHBondContact O-CD2 3.14Å; I249-Y253 PolarHBondContact O-N 2.57Å; I249-F254 HydrophobicContact CG2-CE2 4.29Å
250	E	95.9	Very high	83.6	Confident	17 Å²	17	56.5 Å²	56.5	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-52.6	174	-179.2	177.8	-144.6	0	0	111.2	F216 F220 C246 R247 S252 F254 E255 S271	F216-E250 HydrophobicContact CE2-CB 4.24Å; F216-E250 HydrophobicContact CZ-CB 4.43Å; F220-E250 HydrophobicContact CE2-CB 4.21Å; F220-E250 VanDerWaalsContact CE2-CD 3.42Å; F220-E250 HydrophobicContact CE2-CG 4.1Å; F220-E250 WeakPolarHBondContact CE2-OE1 3.44Å; F220-E250 HydrophobicContact CZ-CG 4.46Å; F220-E250 VanDerWaalsContact CZ-OE1 3.23Å; F220-E250 WeakPolarHBondContact CZ-OE1 3.4Å; C246-E250 PolarHBondContact O-N 3.4Å; R247-E250 PolarHBondContact O-N 3.22Å; E250-S252 PolarHBondContact O-N 3.39Å; E250-F254 CarbonylContact O-C 3.55Å; E250-F254 VanDerWaalsContact O-CA 3.32Å; E250-F254 WeakPolarHBondContact O-CA 3.48Å; E250-F254 VanDerWaalsContact O-CB 3.27Å; E250-F254 WeakPolarHBondContact O-CB 3.39Å; E250-F254 PolarHBondContact O-N 3.44Å; E250-E255 HydrophobicContact CG-CG 4.49Å; E250-E255 PolarHBondContact O-N 2.87Å; E250-E255 VanDerWaalsContact O-N 3.11Å; E250-S271 WeakPolarHBondContact OE1-CA 3.44Å
251	Q	94.7	Very high	80.7	Confident	101 Å²	101	55.3 Å²	55.3	47%	0.472	32%	0.323	S	S	.	.	I	π-helix	trans	-60.5	-48.7	178.7	-72	174.3	-9.3	0	0	112.2	R247 Y253	R247-Q251 WeakPolarHBondContact O-CB 3.42Å; R247-Q251 VanDerWaalsContact O-CG 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.45Å; R247-Q251 PolarHBondContact O-N 3.06Å; Q251-Y253 PolarHBondContact O-N 2.76Å
252	S	94.5	Very high	77.6	Confident	55 Å²	55	60 Å²	60	39%	0.385	36%	0.358	S	S	.	.	I	π-helix	trans	-73.7	-27.7	-172.4	-51.1	0	0	0	0	113.8	R248 I249 E250	R248-S252 VanDerWaalsContact O-CB 3.29Å; R248-S252 WeakPolarHBondContact O-CB 3.17Å; R248-S252 PolarHBondContact O-N 3.26Å; R248-S252 PolarHBondContact O-OG 3.34Å; I249-S252 PolarHBondContact O-N 2.94Å; E250-S252 PolarHBondContact O-N 3.39Å
253	Y	94.3	Very high	74.4	Confident	39 Å²	39	64.7 Å²	64.7	15%	0.153	39%	0.391	C	S	.	.	I	π-helix	trans	-126	-10.3	-170.6	-58.1	-78.8	0	0	0	114.6	R49 M50 Y202 P208 I249 Q251	R49-Y253 HydrophobicContact CB-CD1 4.41Å; R49-Y253 WeakPolarHBondContact CD-O 3.5Å; M50-Y253 HydrophobicContact CB-CE1 4.29Å; M50-Y253 HydrophobicContact CE-CD2 4.2Å; M50-Y253 HydrophobicContact CE-CE2 4.11Å; M50-Y253 HydrophobicContact CG-CD1 4.05Å; M50-Y253 HydrophobicContact CG-CD2 4.28Å; M50-Y253 HydrophobicContact CG-CE1 3.78Å; M50-Y253 HydrophobicContact CG-CE2 4.03Å; M50-Y253 HydrophobicContact CG-CG 4.3Å; Y202-Y253 PolarHBondContact OH-OH 2.87Å; P208-Y253 WeakPolarHBondContact CG-OH 3.18Å; I249-Y253 HydrophobicContact CB-CD2 4.43Å; I249-Y253 HydrophobicContact CG2-CD2 3.97Å; I249-Y253 WeakPolarHBondContact O-CB 3.39Å; I249-Y253 WeakPolarHBondContact O-CD2 3.14Å; I249-Y253 PolarHBondContact O-N 2.57Å; Q251-Y253 PolarHBondContact O-N 2.76Å
254	F	91.4	Very high	71.4	Confident	37 Å²	37	75.7 Å²	75.7	16%	0.162	43%	0.431	C	S	.	.	I	π-helix	trans	-122.8	-27.5	-176.1	-66.9	-110.1	0	0	0	113.4	L42 Q45 A46 F216 I249 E250	L42-F254 HydrophobicContact CD2-CE1 3.82Å; L42-F254 HydrophobicContact CD2-CZ 4.45Å; Q45-F254 HydrophobicContact CB-CE1 4.47Å; Q45-F254 HydrophobicContact CB-CZ 4.41Å; A46-F254 HydrophobicContact CB-CE2 4.02Å; A46-F254 HydrophobicContact CB-CZ 3.96Å; F216-F254 HydrophobicContact CD1-CE2 4.29Å; F216-F254 HydrophobicContact CD1-CZ 4.44Å; F216-F254 HydrophobicContact CE1-CD2 4.17Å; F216-F254 HydrophobicContact CE1-CE1 4.29Å; F216-F254 AromaticContact CE1-CE2 3.45Å; F216-F254 HydrophobicContact CE1-CE2 3.45Å; F216-F254 VanDerWaalsContact CE1-CE2 3.45Å; F216-F254 AromaticContact CE1-CZ 3.56Å; F216-F254 HydrophobicContact CE1-CZ 3.56Å; F216-F254 HydrophobicContact CZ-CD2 4.13Å; F216-F254 AromaticContact CZ-CE2 3.88Å; F216-F254 HydrophobicContact CZ-CE2 3.88Å; F216-F254 HydrophobicContact CZ-CZ 4.25Å; I249-F254 HydrophobicContact CG2-CE2 4.29Å; E250-F254 CarbonylContact O-C 3.55Å; E250-F254 VanDerWaalsContact O-CA 3.32Å; E250-F254 WeakPolarHBondContact O-CA 3.48Å; E250-F254 VanDerWaalsContact O-CB 3.27Å; E250-F254 WeakPolarHBondContact O-CB 3.39Å; E250-F254 PolarHBondContact O-N 3.44Å
255	E	84.8	Confident	68.2	Low	92 Å²	92	77.2 Å²	77.2	43%	0.43	45%	0.45	S	S	.	.	I	π-helix	trans	-82.6	-39.7	180	-66.8	-177.7	-174.9	0	0	113.2	E250 S257 Q258	E250-E255 HydrophobicContact CG-CG 4.49Å; E250-E255 PolarHBondContact O-N 2.87Å; E250-E255 VanDerWaalsContact O-N 3.11Å; E255-S257 VanDerWaalsContact C-N 3.31Å; E255-S257 PolarHBondContact O-N 3.45Å; E255-Q258 WeakPolarHBondContact O-CB 3.47Å; E255-Q258 PolarHBondContact O-N 3.32Å
256	D	58.1	Low	65.2	Low	131 Å²	131	82.9 Å²	82.9	70%	0.701	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.6	-177	-75.6	-26.7	0	0	0	114.7	Q258	D256-Q258 PolarHBondContact O-N 3.03Å
257	S	52.4	Low	62.1	Low	71 Å²	71	86.1 Å²	86.1	50%	0.497	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-74.5	-5.3	175.5	-80.2	0	0	0	0	114.2	E255	E255-S257 VanDerWaalsContact C-N 3.31Å; E255-S257 PolarHBondContact O-N 3.45Å
258	Q	44.6	Very low	59.4	Low	113 Å²	113	91 Å²	91	53%	0.528	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-84.8	-17	-177.7	-66.9	-83.8	-27.7	0	0	113.7	E255 D256	E255-Q258 WeakPolarHBondContact O-CB 3.47Å; E255-Q258 PolarHBondContact O-N 3.32Å; D256-Q258 PolarHBondContact O-N 3.03Å
259	A	38.7	Very low	57	Low	102 Å²	102	89.1 Å²	89.1	84%	0.843	52%	0.522	S	S	*	.	S	Bend	trans	-83.3	-11.8	-174.6	0	0	0	0	0	114.7
260	G	34.2	Very low	54.8	Low	76 Å²	76	92 Å²	92	78%	0.784	54%	0.541	S	S	*	.	S	Bend	trans	-116.3	-4.9	-171.4	0	0	0	0	0	117.3
261	S	35.5	Very low	52.7	Low	68 Å²	68	93.9 Å²	93.9	48%	0.476	56%	0.556	S	S	.	*			trans	-123.1	72.9	-175.2	66	0	0	0	0	113.3	S263	S261-S263 PolarHBondContact O-N 2.59Å
262	S	33.1	Very low	50.6	Low	134 Å²	134	90.7 Å²	90.7	94%	0.937	54%	0.542	S	S	*	.			trans	-73	66	159	37	0	0	0	0	110.6
263	S	30.5	Very low	48.3	Very low	98 Å²	98	97 Å²	97	69%	0.685	56%	0.563	S	S	*	*	S	Bend	trans	-154	110.5	156.6	59.4	0	0	0	0	111.9	S261	S261-S263 PolarHBondContact O-N 2.59Å
264	R	34.8	Very low	46	Very low	255 Å²	255	99.9 Å²	99.9	96%	0.962	58%	0.583	S	S	*	*	S	Bend	trans	25.5	107.4	157.9	-71.4	174.9	177.6	162.4	-0.9	117.9
265	G	30.2	Very low	43.6	Very low	75 Å²	75	103.2 Å²	103.2	77%	0.773	61%	0.606	S	S	*	*			trans	145.5	-4.8	148.8	0	0	0	0	0	118	S267	G265-S267 PolarHBondContact O-N 3.02Å
266	Y	34.7	Very low	41.3	Very low	120 Å²	120	103.8 Å²	103.8	47%	0.471	62%	0.615	S	S	.	*			trans	-93.4	95.8	173.8	-81.6	-83.5	0	0	0	110.7	V57 K268	V57-Y266 WeakPolarHBondContact CG2-OH 3.15Å; Y266-K268 PolarHBondContact O-N 3.29Å
267	S	33.6	Very low	40.3	Very low	67 Å²	67	102.2 Å²	102.2	47%	0.469	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-59.7	127.6	156.2	171.6	0	0	0	0	107.6	G265 G269	G265-S267 PolarHBondContact O-N 3.02Å; S267-G269 PolarHBondContact O-N 3.22Å
268	K	38.6	Very low	39.6	Very low	186 Å²	186	104.2 Å²	104.2	81%	0.809	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-47.9	117.2	176	-86.8	-176.6	170.9	-175.4	0	108.5	Y266	Y266-K268 PolarHBondContact O-N 3.29Å
269	G	45.2	Very low	39.2	Very low	34 Å²	34	103.6 Å²	103.6	35%	0.351	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-62.3	159.7	169	0	0	0	0	0	110.2	S267 S271	S267-G269 PolarHBondContact O-N 3.22Å; G269-S271 PolarHBondContact O-N 2.96Å
270	P	50.5	Low	39.3	Very low	60 Å²	60	103.7 Å²	103.7	39%	0.39	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-61.5	127.9	171.2	28.7	-32.7	0	0	0	108.3	F220 T224	F220-P270 VanDerWaalsContact CZ-O 3.28Å; F220-P270 WeakPolarHBondContact CZ-O 3.33Å; T224-P270 HydrophobicContact CG2-CB 4.26Å; T224-P270 HydrophobicContact CG2-CG 4.34Å
271	S	52.1	Low	39.7	Very low	58 Å²	58	105.8 Å²	105.8	41%	0.406	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-88.3	151.7	171.4	157.9	0	0	0	0	108.1	E250 G269 F273	E250-S271 WeakPolarHBondContact OE1-CA 3.44Å; G269-S271 PolarHBondContact O-N 2.96Å; S271-F273 WeakPolarHBondContact CB-O 3.39Å; S271-F273 PolarHBondContact O-N 2.66Å; S271-F273 PolarHBondContact OG-N 3.31Å; S271-F273 PolarHBondContact OG-O 2.9Å
272	L	52.1	Low	40	Very low	33 Å²	33	109 Å²	109	17%	0.173	60%	0.604	C	S	.	*			trans	-64.3	-2.2	170.2	-77	168.2	0	0	0	113	F220 L223 T224 C246 R247	F220-L272 HydrophobicContact CD2-CD1 3.69Å; F220-L272 HydrophobicContact CD2-CG 3.91Å; F220-L272 HydrophobicContact CE2-CD1 3.69Å; F220-L272 HydrophobicContact CE2-CD2 4.49Å; F220-L272 HydrophobicContact CE2-CG 3.58Å; F220-L272 HydrophobicContact CZ-CG 4.45Å; L223-L272 HydrophobicContact CB-CD2 3.69Å; L223-L272 HydrophobicContact CD1-CD2 3.97Å; L223-L272 HydrophobicContact CG-CD2 4.44Å; T224-L272 HydrophobicContact CG2-CD2 3.91Å; T224-L272 HydrophobicContact CG2-CG 4.28Å; C246-L272 HydrophobicContact CB-CD1 3.78Å; R247-L272 HydrophobicContact CG-CB 4.43Å; R247-L272 HydrophobicContact CG-CD1 3.86Å
273	F	45	Very low	40.7	Very low	188 Å²	188	106.7 Å²	106.7	83%	0.825	57%	0.574	S	S	*	*			trans	-146.6	0	175.7	-59.1	-75.6	0	0	0	114.2	R247 S271	R247-F273 HydrophobicContact CG-CE2 4Å; R247-F273 VanDerWaalsContact NH2-CE1 3.28Å; S271-F273 WeakPolarHBondContact CB-O 3.39Å; S271-F273 PolarHBondContact O-N 2.66Å; S271-F273 PolarHBondContact OG-N 3.31Å; S271-F273 PolarHBondContact OG-O 2.9Å

Retrieved 273 of 273 residues in 2248.1 ms (Link to these results)

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