1433E_BOVIN Loading...

14-3-3 protein epsilon

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways¹. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif². Binding generally results in the modulation of the activity of the binding partner³. Positively regulates phosphorylated protein HSF1 nuclear export to the cytoplasm (By similarity).

AlphaFold DB (P62259), UniProt , Accession P62261, Species BOVIN (Bos taurus, Bovine), Gene YWHAE, Length 255 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	91.6	Very high	180 Å²	180	77.1 Å²	77.1	89%	0.887	37%	0.371	S	S	*	.				0	143.4	0	-89.6	143.1	168.4	0	0	107.2	D6	M1-D6 WeakPolarHBondContact CB-OD1 3.45Å; M1-D6 WeakPolarHBondContact CG-OD1 3.29Å
2	D	80.9	Confident	92.2	Very high	102 Å²	102	75.2 Å²	75.2	55%	0.545	36%	0.359	S	S	.	.			trans	-67.7	148.6	165.9	-172.9	10.7	0	0	0	109.1	R4 E5 D6	D2-R4 PolarHBondContact O-N 3.4Å; D2-E5 HydrophobicContact CB-CG 4.16Å; D2-E5 PolarHBondContact N-OE2 3.19Å; D2-E5 WeakPolarHBondContact O-CB 3.28Å; D2-E5 PolarHBondContact O-N 3.49Å; D2-D6 PolarHBondContact O-N 3.47Å
3	D	92.1	Very high	92.7	Very high	104 Å²	104	75.6 Å²	75.6	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-57.4	-33.1	-179	-171.3	43.3	0	0	0	110.9	L7 M33	D3-L7 WeakPolarHBondContact O-CD1 2.98Å; D3-L7 VanDerWaalsContact O-CG 3.23Å; D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 3.39Å; D3-L7 VanDerWaalsContact O-N 3.14Å; D3-M33 HydrophobicContact CB-CE 4.2Å
4	R	97	Very high	93.1	Very high	33 Å²	33	70.6 Å²	70.6	13%	0.125	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-44.7	174.7	-170.2	171.6	177.4	141.1	-11.5	112.9	D2 D6 L7 V8 V30 M33 V35 E36 E41	D2-R4 PolarHBondContact O-N 3.4Å; R4-D6 VanDerWaalsContact C-N 3.33Å; R4-D6 PolarHBondContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.42Å; R4-V8 VanDerWaalsContact O-CG2 3.31Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 2.78Å; R4-V30 HydrophobicContact CG-CG1 4.11Å; R4-M33 HydrophobicContact CB-CE 4.09Å; R4-M33 HydrophobicContact CB-SD 3.65Å; R4-M33 HydrophobicContact CG-SD 3.9Å; R4-V35 VanDerWaalsContact NH1-CB 3.35Å; R4-E36 PolarHBondContact NH2-O 2.96Å; R4-E41 IonicContact CZ-OE1 3.7Å; R4-E41 IonicContact CZ-OE2 2.75Å; R4-E41 IonicContact NE-OE1 3.92Å; R4-E41 PolarHBondContact NE-OE1 3.46Å; R4-E41 IonicContact NE-OE2 2.97Å; R4-E41 VanDerWaalsContact NH2-CD 3.31Å; R4-E41 IonicContact NH2-OE1 3.96Å; R4-E41 PolarHBondContact NH2-OE1 2.92Å; R4-E41 IonicContact NH2-OE2 3.73Å; R4-E41 PolarHBondContact NH2-OE2 3.38Å
5	E	96.8	Very high	93.4	Very high	117 Å²	117	70.6 Å²	70.6	55%	0.547	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.6	-67.4	175.9	157.9	0	0	111.1	D2 V8 Y9	D2-E5 HydrophobicContact CB-CG 4.16Å; D2-E5 PolarHBondContact N-OE2 3.19Å; D2-E5 WeakPolarHBondContact O-CB 3.28Å; D2-E5 PolarHBondContact O-N 3.49Å; E5-V8 PolarHBondContact O-N 3.37Å; E5-Y9 WeakPolarHBondContact O-CB 3.5Å; E5-Y9 PolarHBondContact O-N 3.35Å
6	D	97.1	Very high	93.6	Very high	60 Å²	60	76.1 Å²	76.1	32%	0.321	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-42.7	177.6	-75.5	-19.4	0	0	0	111.4	M1 D2 R4 Y9 Q10	M1-D6 WeakPolarHBondContact CB-OD1 3.45Å; M1-D6 WeakPolarHBondContact CG-OD1 3.29Å; D2-D6 PolarHBondContact O-N 3.47Å; R4-D6 VanDerWaalsContact C-N 3.33Å; R4-D6 PolarHBondContact O-N 3.14Å; D6-Y9 PolarHBondContact O-N 3.03Å; D6-Q10 WeakPolarHBondContact O-CB 3.45Å; D6-Q10 VanDerWaalsContact O-CG 3.28Å; D6-Q10 WeakPolarHBondContact O-CG 3.33Å; D6-Q10 PolarHBondContact O-N 2.94Å
7	L	98.1	Very high	93.8	Very high	7 Å²	7	75.2 Å²	75.2	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-42.7	177	-70.2	166.6	0	0	0	112.7	D3 R4 Y9 Q10 A11 K29 V30 M33	D3-L7 WeakPolarHBondContact O-CD1 2.98Å; D3-L7 VanDerWaalsContact O-CG 3.23Å; D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 3.39Å; D3-L7 VanDerWaalsContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.42Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; L7-Q10 PolarHBondContact O-N 3.29Å; L7-A11 PolarHBondContact O-N 3.27Å; L7-K29 HydrophobicContact CD1-CB 3.56Å; L7-K29 HydrophobicContact CD1-CD 4.44Å; L7-K29 HydrophobicContact CD2-CB 3.96Å; L7-K29 HydrophobicContact CD2-CD 3.49Å; L7-K29 VanDerWaalsContact CD2-CD 3.49Å; L7-K29 HydrophobicContact CD2-CG 4.39Å; L7-K29 HydrophobicContact CG-CB 4.39Å; L7-V30 HydrophobicContact CB-CG2 3.53Å; L7-V30 HydrophobicContact CD1-CG2 4.06Å; L7-V30 HydrophobicContact CG-CG2 4.45Å; L7-M33 HydrophobicContact CD1-CE 3.65Å
8	V	98.2	Very high	94	Very high	13 Å²	13	79.1 Å²	79.1	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-40	176.4	171.4	0	0	0	0	110.6	R4 E5 A11 K12 V30 E41 L44	R4-V8 VanDerWaalsContact O-CG2 3.31Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 2.78Å; E5-V8 PolarHBondContact O-N 3.37Å; V8-A11 PolarHBondContact O-N 3.24Å; V8-K12 WeakPolarHBondContact O-CG 3.28Å; V8-K12 PolarHBondContact O-N 2.92Å; V8-V30 HydrophobicContact CG2-CG1 4.45Å; V8-V30 HydrophobicContact CG2-CG2 4Å; V8-E41 HydrophobicContact CG1-CG 4.49Å; V8-E41 HydrophobicContact CG2-CG 3.74Å; V8-L44 HydrophobicContact CG1-CD1 3.94Å
9	Y	98	Very high	94.2	Very high	135 Å²	135	82.1 Å²	82.1	53%	0.529	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-41.3	175.3	-174.6	-113.5	0	0	0	112.1	E5 D6 L7 A11 K12 L13	E5-Y9 WeakPolarHBondContact O-CB 3.5Å; E5-Y9 PolarHBondContact O-N 3.35Å; D6-Y9 PolarHBondContact O-N 3.03Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; Y9-A11 VanDerWaalsContact C-N 3.35Å; Y9-A11 PolarHBondContact O-N 2.88Å; Y9-K12 PolarHBondContact O-N 3.37Å; Y9-L13 HydrophobicContact CD1-CD1 4.02Å; Y9-L13 HydrophobicContact CD1-CG 4.47Å; Y9-L13 HydrophobicContact CE1-CD1 3.62Å; Y9-L13 HydrophobicContact CE1-CG 4.14Å; Y9-L13 WeakPolarHBondContact O-CG 3.4Å; Y9-L13 PolarHBondContact O-N 3.21Å
10	Q	97.8	Very high	94.4	Very high	97 Å²	97	80.6 Å²	80.6	45%	0.453	39%	0.387	S	S	.	.	H	α-helix	trans	-59.4	-43.6	172.7	-76.1	174.1	2.2	0	0	112	D6 L7 K12 L13 A14	D6-Q10 WeakPolarHBondContact O-CB 3.45Å; D6-Q10 VanDerWaalsContact O-CG 3.28Å; D6-Q10 WeakPolarHBondContact O-CG 3.33Å; D6-Q10 PolarHBondContact O-N 2.94Å; L7-Q10 PolarHBondContact O-N 3.29Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.95Å; Q10-L13 PolarHBondContact O-N 3.09Å; Q10-A14 WeakPolarHBondContact O-CB 3.49Å; Q10-A14 PolarHBondContact O-N 3.27Å
11	A	98.4	Very high	94.5	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-41.2	176.2	0	0	0	0	0	112.2	L7 V8 Y9 A14 E15 M23 M27	L7-A11 PolarHBondContact O-N 3.27Å; V8-A11 PolarHBondContact O-N 3.24Å; Y9-A11 VanDerWaalsContact C-N 3.35Å; Y9-A11 PolarHBondContact O-N 2.88Å; A11-A14 PolarHBondContact O-N 3.43Å; A11-E15 WeakPolarHBondContact O-CB 3.45Å; A11-E15 PolarHBondContact O-N 3.29Å; A11-M23 HydrophobicContact CB-CG 4Å; A11-M27 HydrophobicContact CB-CG 3.85Å; A11-M27 HydrophobicContact CB-SD 3.58Å; A11-M27 VanDerWaalsContact CB-SD 3.58Å
12	K	98.3	Very high	96.6	Very high	54 Å²	54	76.2 Å²	76.2	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-38.7	175.6	-68.9	176.4	-172.7	-175	0	112.7	V8 Y9 Q10 Q16 E40 L44	V8-K12 WeakPolarHBondContact O-CG 3.28Å; V8-K12 PolarHBondContact O-N 2.92Å; Y9-K12 PolarHBondContact O-N 3.37Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.95Å; K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 3.48Å; K12-Q16 VanDerWaalsContact O-N 3.17Å; K12-E40 VanDerWaalsContact CE-CD 3.46Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.86Å; K12-E40 PolarHBondContact NZ-OE1 3.49Å; K12-E40 IonicContact NZ-OE2 3.05Å; K12-E40 PolarHBondContact NZ-OE2 3.19Å; K12-L44 HydrophobicContact CG-CD1 3.98Å; K12-L44 HydrophobicContact CG-CD2 4.09Å
13	L	98.3	Very high	97.4	Very high	81 Å²	81	71.3 Å²	71.3	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-66.1	-41.6	174.1	-69.8	177.2	0	0	0	111.4	Y9 Q10 Q16 A17	Y9-L13 HydrophobicContact CD1-CD1 4.02Å; Y9-L13 HydrophobicContact CD1-CG 4.47Å; Y9-L13 HydrophobicContact CE1-CD1 3.62Å; Y9-L13 HydrophobicContact CE1-CG 4.14Å; Y9-L13 WeakPolarHBondContact O-CG 3.4Å; Y9-L13 PolarHBondContact O-N 3.21Å; Q10-L13 PolarHBondContact O-N 3.09Å; L13-Q16 PolarHBondContact O-N 3.05Å; L13-A17 PolarHBondContact O-N 3.12Å
14	A	98.2	Very high	97.7	Very high	5 Å²	5	67 Å²	67	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-40.7	176.7	0	0	0	0	0	111.7	Q10 A11 A17 E18 R19 E22 M23	Q10-A14 WeakPolarHBondContact O-CB 3.49Å; Q10-A14 PolarHBondContact O-N 3.27Å; A11-A14 PolarHBondContact O-N 3.43Å; A14-A17 CarbonylContact O-C 3.4Å; A14-A17 PolarHBondContact O-N 3.42Å; A14-E18 PolarHBondContact O-N 2.97Å; A14-R19 HydrophobicContact CB-CB 4.33Å; A14-R19 PolarHBondContact O-N 2.99Å; A14-E22 HydrophobicContact CB-CB 4.13Å; A14-M23 HydrophobicContact CB-CB 4.1Å
15	E	97.3	Very high	97.8	Very high	71 Å²	71	71.2 Å²	71.2	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-57.8	-49.8	174	-177.9	-177.7	-148.8	0	0	111.7	A11 A17 E18 M23 L44	A11-E15 WeakPolarHBondContact O-CB 3.45Å; A11-E15 PolarHBondContact O-N 3.29Å; E15-A17 PolarHBondContact O-N 2.99Å; E15-E18 PolarHBondContact O-N 3.36Å; E15-M23 HydrophobicContact CB-CE 3.98Å; E15-M23 HydrophobicContact CB-SD 4.03Å; E15-M23 HydrophobicContact CG-CE 4.24Å; E15-M23 HydrophobicContact CG-SD 4.48Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.12Å
16	Q	97.1	Very high	97.9	Very high	159 Å²	159	66.1 Å²	66.1	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-63.1	-23.2	178.1	-70.7	178	31.1	0	0	113.5	K12 L13	K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 3.48Å; K12-Q16 VanDerWaalsContact O-N 3.17Å; L13-Q16 PolarHBondContact O-N 3.05Å
17	A	97.6	Very high	97.9	Very high	60 Å²	60	63.3 Å²	63.3	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	6.2	176.8	0	0	0	0	0	113.1	L13 A14 E15 R19	L13-A17 PolarHBondContact O-N 3.12Å; A14-A17 CarbonylContact O-C 3.4Å; A14-A17 PolarHBondContact O-N 3.42Å; E15-A17 PolarHBondContact O-N 2.99Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 WeakPolarHBondContact O-CG 3.1Å; A17-R19 PolarHBondContact O-N 2.83Å; A17-R19 VanDerWaalsContact O-N 3.17Å
18	E	96.8	Very high	97.9	Very high	146 Å²	146	66.1 Å²	66.1	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	29.3	-176.6	-57.2	179.8	167.2	0	0	113.5	A14 E15 Y20	A14-E18 PolarHBondContact O-N 2.97Å; E15-E18 PolarHBondContact O-N 3.36Å; E18-Y20 HydrophobicContact CB-CE2 4Å; E18-Y20 WeakPolarHBondContact O-CD2 3.4Å; E18-Y20 PolarHBondContact O-N 3.23Å
19	R	98	Very high	97.9	Very high	135 Å²	135	71 Å²	71	51%	0.509	33%	0.334	S	S	.	.			trans	-94.9	64.1	179.8	-56.8	-166.3	75.4	-152.6	-8.6	110.8	A14 A17 D21 E22 M23	A14-R19 HydrophobicContact CB-CB 4.33Å; A14-R19 PolarHBondContact O-N 2.99Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 WeakPolarHBondContact O-CG 3.1Å; A17-R19 PolarHBondContact O-N 2.83Å; A17-R19 VanDerWaalsContact O-N 3.17Å; R19-D21 VanDerWaalsContact C-N 3.27Å; R19-D21 PolarHBondContact O-N 2.84Å; R19-E22 HydrophobicContact CB-CB 4.43Å; R19-E22 HydrophobicContact CB-CG 4.4Å; R19-E22 IonicContact CZ-OE1 3.49Å; R19-E22 IonicContact CZ-OE2 3.72Å; R19-E22 IonicContact NE-OE1 3.41Å; R19-E22 IonicContact NE-OE2 2.68Å; R19-E22 PolarHBondContact NE-OE2 2.84Å; R19-E22 IonicContact NH1-OE1 2.83Å; R19-E22 PolarHBondContact NH1-OE1 2.83Å; R19-E22 IonicContact NH1-OE2 2.84Å; R19-E22 PolarHBondContact NH1-OE2 3.4Å; R19-E22 VanDerWaalsContact NH2-CD 3.29Å; R19-E22 IonicContact NH2-OE1 3.88Å; R19-E22 PolarHBondContact NH2-OE1 3.13Å; R19-E22 IonicContact NH2-OE2 2.85Å; R19-E22 PolarHBondContact O-N 3.38Å; R19-M23 PolarHBondContact O-N 2.95Å; R19-M23 VanDerWaalsContact O-N 3.16Å
20	Y	97.8	Very high	97.9	Very high	53 Å²	53	64.6 Å²	64.6	21%	0.208	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-27.7	-171.2	-55.9	-69	0	0	0	114.7	E18 M23 V24 V47 N51	E18-Y20 HydrophobicContact CB-CE2 4Å; E18-Y20 WeakPolarHBondContact O-CD2 3.4Å; E18-Y20 PolarHBondContact O-N 3.23Å; Y20-M23 HydrophobicContact CD1-SD 4.09Å; Y20-M23 WeakPolarHBondContact O-CB 3.29Å; Y20-M23 PolarHBondContact O-N 3.42Å; Y20-V24 WeakPolarHBondContact O-CG2 3.18Å; Y20-V24 PolarHBondContact O-N 2.99Å; Y20-V47 HydrophobicContact CE1-CG1 4.28Å; Y20-N51 HydrophobicContact CD1-CB 3.61Å; Y20-N51 HydrophobicContact CD2-CB 3.36Å; Y20-N51 HydrophobicContact CE1-CB 3.84Å; Y20-N51 VanDerWaalsContact CE1-ND2 3.34Å; Y20-N51 WeakPolarHBondContact CE1-ND2 2.99Å; Y20-N51 HydrophobicContact CE2-CB 3.58Å; Y20-N51 HydrophobicContact CG-CB 3.35Å
21	D	97.6	Very high	97.9	Very high	101 Å²	101	60.1 Å²	60.1	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-40.6	173.8	-61	-64.2	0	0	0	111.7	R19 M23 V24 E25	R19-D21 VanDerWaalsContact C-N 3.27Å; R19-D21 PolarHBondContact O-N 2.84Å; D21-M23 VanDerWaalsContact C-N 3.32Å; D21-V24 WeakPolarHBondContact O-CB 3.48Å; D21-V24 PolarHBondContact O-N 3.34Å; D21-E25 WeakPolarHBondContact O-CG 3.41Å; D21-E25 PolarHBondContact O-N 3.08Å
22	E	98	Very high	97.9	Very high	67 Å²	67	61.8 Å²	61.8	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-70.9	-32.1	175.4	-62.2	-172.3	156.5	0	0	111.9	A14 R19 E25 S26	A14-E22 HydrophobicContact CB-CB 4.13Å; R19-E22 HydrophobicContact CB-CB 4.43Å; R19-E22 HydrophobicContact CB-CG 4.4Å; R19-E22 IonicContact CZ-OE1 3.49Å; R19-E22 IonicContact CZ-OE2 3.72Å; R19-E22 IonicContact NE-OE1 3.41Å; R19-E22 IonicContact NE-OE2 2.68Å; R19-E22 PolarHBondContact NE-OE2 2.84Å; R19-E22 IonicContact NH1-OE1 2.83Å; R19-E22 PolarHBondContact NH1-OE1 2.83Å; R19-E22 IonicContact NH1-OE2 2.84Å; R19-E22 PolarHBondContact NH1-OE2 3.4Å; R19-E22 VanDerWaalsContact NH2-CD 3.29Å; R19-E22 IonicContact NH2-OE1 3.88Å; R19-E22 PolarHBondContact NH2-OE1 3.13Å; R19-E22 IonicContact NH2-OE2 2.85Å; R19-E22 PolarHBondContact O-N 3.38Å; E22-E25 PolarHBondContact O-N 3.1Å; E22-S26 WeakPolarHBondContact O-CB 3.49Å; E22-S26 PolarHBondContact O-N 3.46Å; E22-S26 PolarHBondContact O-OG 3.1Å
23	M	97.9	Very high	97.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-43.9	172.6	-161.6	-172.1	-179.9	0	0	110.6	A11 A14 E15 R19 Y20 D21 S26 M27 L44 V47 A48	A11-M23 HydrophobicContact CB-CG 4Å; A14-M23 HydrophobicContact CB-CB 4.1Å; E15-M23 HydrophobicContact CB-CE 3.98Å; E15-M23 HydrophobicContact CB-SD 4.03Å; E15-M23 HydrophobicContact CG-CE 4.24Å; E15-M23 HydrophobicContact CG-SD 4.48Å; R19-M23 PolarHBondContact O-N 2.95Å; R19-M23 VanDerWaalsContact O-N 3.16Å; Y20-M23 HydrophobicContact CD1-SD 4.09Å; Y20-M23 WeakPolarHBondContact O-CB 3.29Å; Y20-M23 PolarHBondContact O-N 3.42Å; D21-M23 VanDerWaalsContact C-N 3.32Å; M23-S26 PolarHBondContact O-N 2.88Å; M23-M27 WeakPolarHBondContact O-CB 3.47Å; M23-M27 VanDerWaalsContact O-CG 3.29Å; M23-M27 WeakPolarHBondContact O-CG 3.34Å; M23-M27 PolarHBondContact O-N 3.43Å; M23-L44 HydrophobicContact CE-CB 3.73Å; M23-L44 HydrophobicContact CE-CD2 3.39Å; M23-L44 HydrophobicContact CE-CG 4.17Å; M23-L44 WeakPolarHBondContact CE-O 3.45Å; M23-V47 HydrophobicContact CE-CB 4.12Å; M23-V47 HydrophobicContact CE-CG1 4.11Å; M23-V47 HydrophobicContact SD-CG1 4.28Å; M23-A48 HydrophobicContact CB-CB 3.77Å; M23-A48 HydrophobicContact CE-CB 4.33Å; M23-A48 HydrophobicContact CG-CB 3.58Å; M23-A48 HydrophobicContact SD-CB 3.54Å; M23-A48 VanDerWaalsContact SD-CB 3.54Å
24	V	98.4	Very high	97.8	Very high	13 Å²	13	62.7 Å²	62.7	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-50.2	173.1	166.8	0	0	0	0	110.4	Y20 D21 S26 M27 K28 A48 Y49 V52	Y20-V24 WeakPolarHBondContact O-CG2 3.18Å; Y20-V24 PolarHBondContact O-N 2.99Å; D21-V24 WeakPolarHBondContact O-CB 3.48Å; D21-V24 PolarHBondContact O-N 3.34Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 3.3Å; V24-M27 PolarHBondContact O-N 3.23Å; V24-K28 HydrophobicContact CG1-CD 3.62Å; V24-K28 HydrophobicContact CG1-CG 4.13Å; V24-K28 WeakPolarHBondContact O-CB 3.33Å; V24-K28 WeakPolarHBondContact O-CG 3.36Å; V24-K28 PolarHBondContact O-N 2.99Å; V24-A48 HydrophobicContact CG2-CB 3.71Å; V24-Y49 HydrophobicContact CB-CE2 4.47Å; V24-Y49 HydrophobicContact CG1-CE1 3.83Å; V24-Y49 HydrophobicContact CG1-CE2 3.84Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.47Å; V24-Y49 HydrophobicContact CG2-CD1 4.07Å; V24-Y49 HydrophobicContact CG2-CD2 3.99Å; V24-Y49 HydrophobicContact CG2-CE1 4.2Å; V24-Y49 HydrophobicContact CG2-CE2 4.12Å; V24-Y49 HydrophobicContact CG2-CG 3.98Å; V24-V52 HydrophobicContact CG2-CG2 4.09Å
25	E	98.2	Very high	97.7	Very high	122 Å²	122	66.5 Å²	66.5	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-56.7	-43.1	179.2	-72.7	-176.8	-175	0	0	113	D21 E22 K29	D21-E25 WeakPolarHBondContact O-CG 3.41Å; D21-E25 PolarHBondContact O-N 3.08Å; E22-E25 PolarHBondContact O-N 3.1Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.48Å
26	S	98.2	Very high	97.8	Very high	10 Å²	10	65.4 Å²	65.4	7%	0.07	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-48.9	179.6	-56.3	0	0	0	0	111	E22 M23 V24 K28 K29 V30	E22-S26 WeakPolarHBondContact O-CB 3.49Å; E22-S26 PolarHBondContact O-N 3.46Å; E22-S26 PolarHBondContact O-OG 3.1Å; M23-S26 PolarHBondContact O-N 2.88Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 3.3Å; S26-K28 VanDerWaalsContact C-N 3.32Å; S26-K28 PolarHBondContact O-N 3.16Å; S26-K29 WeakPolarHBondContact O-CB 3.45Å; S26-K29 PolarHBondContact O-N 2.97Å; S26-K29 VanDerWaalsContact O-N 3.15Å; S26-V30 PolarHBondContact O-N 3.05Å
27	M	98.4	Very high	97.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.7	-26.9	-177	-67.2	-51.5	-51.2	0	0	113.2	A11 M23 V24 V30 A31 E41 L44 L45	A11-M27 HydrophobicContact CB-CG 3.85Å; A11-M27 HydrophobicContact CB-SD 3.58Å; A11-M27 VanDerWaalsContact CB-SD 3.58Å; M23-M27 WeakPolarHBondContact O-CB 3.47Å; M23-M27 VanDerWaalsContact O-CG 3.29Å; M23-M27 WeakPolarHBondContact O-CG 3.34Å; M23-M27 PolarHBondContact O-N 3.43Å; V24-M27 PolarHBondContact O-N 3.23Å; M27-V30 HydrophobicContact CE-CB 4.16Å; M27-V30 HydrophobicContact CE-CG1 4.24Å; M27-V30 HydrophobicContact CE-CG2 4.41Å; M27-V30 PolarHBondContact O-N 2.82Å; M27-V30 HydrophobicContact SD-CG2 4.45Å; M27-A31 WeakPolarHBondContact O-CB 3.45Å; M27-A31 PolarHBondContact O-N 3.15Å; M27-E41 HydrophobicContact CE-CB 3.99Å; M27-E41 WeakPolarHBondContact CE-O 3.43Å; M27-L44 HydrophobicContact CE-CB 4.26Å; M27-L44 HydrophobicContact CG-CB 4.27Å; M27-L44 HydrophobicContact SD-CB 3.93Å; M27-L44 HydrophobicContact SD-CD1 4.37Å; M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.59Å; M27-L45 HydrophobicContact CE-CB 4.3Å; M27-L45 HydrophobicContact CG-CB 4.5Å
28	K	98.1	Very high	97.8	Very high	66 Å²	66	58.9 Å²	58.9	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-39	170.1	-75.5	173.7	76.6	171.4	0	112.7	V24 S26 V30 A31 G32 Y49 D99 V103	V24-K28 HydrophobicContact CG1-CD 3.62Å; V24-K28 HydrophobicContact CG1-CG 4.13Å; V24-K28 WeakPolarHBondContact O-CB 3.33Å; V24-K28 WeakPolarHBondContact O-CG 3.36Å; V24-K28 PolarHBondContact O-N 2.99Å; S26-K28 VanDerWaalsContact C-N 3.32Å; S26-K28 PolarHBondContact O-N 3.16Å; K28-V30 VanDerWaalsContact C-N 3.33Å; K28-A31 PolarHBondContact O-N 3.38Å; K28-G32 PolarHBondContact O-N 2.83Å; K28-Y49 VanDerWaalsContact CD-OH 3.28Å; K28-Y49 WeakPolarHBondContact CD-OH 3.34Å; K28-Y49 HydrophobicContact CG-CE2 4.41Å; K28-Y49 WeakPolarHBondContact CG-OH 3.45Å; K28-D99 WeakPolarHBondContact CD-OD2 3.46Å; K28-D99 WeakPolarHBondContact CE-OD1 3.5Å; K28-D99 WeakPolarHBondContact CE-OD2 3.35Å; K28-D99 IonicContact NZ-OD1 3.78Å; K28-D99 PolarHBondContact NZ-OD1 2.99Å; K28-D99 IonicContact NZ-OD2 3.58Å; K28-D99 PolarHBondContact NZ-OD2 3.48Å; K28-V103 HydrophobicContact CD-CG2 4.5Å; K28-V103 HydrophobicContact CG-CG2 4Å
29	K	98.1	Very high	97.7	Very high	117 Å²	117	55.6 Å²	55.6	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.7	-67.7	168.9	-175.7	169.4	0	110.8	L7 E25 S26 G32 M33	L7-K29 HydrophobicContact CD1-CB 3.56Å; L7-K29 HydrophobicContact CD1-CD 4.44Å; L7-K29 HydrophobicContact CD2-CB 3.96Å; L7-K29 HydrophobicContact CD2-CD 3.49Å; L7-K29 VanDerWaalsContact CD2-CD 3.49Å; L7-K29 HydrophobicContact CD2-CG 4.39Å; L7-K29 HydrophobicContact CG-CB 4.39Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.48Å; S26-K29 WeakPolarHBondContact O-CB 3.45Å; S26-K29 PolarHBondContact O-N 2.97Å; S26-K29 VanDerWaalsContact O-N 3.15Å; K29-G32 PolarHBondContact O-N 2.68Å; K29-M33 PolarHBondContact O-N 2.66Å
30	V	98.3	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-46.2	173.5	179.2	0	0	0	0	111.1	R4 L7 V8 S26 M27 K28 G32 M33 L37	R4-V30 HydrophobicContact CG-CG1 4.11Å; L7-V30 HydrophobicContact CB-CG2 3.53Å; L7-V30 HydrophobicContact CD1-CG2 4.06Å; L7-V30 HydrophobicContact CG-CG2 4.45Å; V8-V30 HydrophobicContact CG2-CG1 4.45Å; V8-V30 HydrophobicContact CG2-CG2 4Å; S26-V30 PolarHBondContact O-N 3.05Å; M27-V30 HydrophobicContact CE-CB 4.16Å; M27-V30 HydrophobicContact CE-CG1 4.24Å; M27-V30 HydrophobicContact CE-CG2 4.41Å; M27-V30 PolarHBondContact O-N 2.82Å; M27-V30 HydrophobicContact SD-CG2 4.45Å; K28-V30 VanDerWaalsContact C-N 3.33Å; V30-G32 VanDerWaalsContact C-N 3.31Å; V30-G32 PolarHBondContact O-N 2.89Å; V30-M33 WeakPolarHBondContact O-CB 3.37Å; V30-M33 PolarHBondContact O-N 2.67Å; V30-L37 HydrophobicContact CG1-CD2 3.7Å
31	A	98.1	Very high	97.7	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-42.9	175.6	0	0	0	0	0	111.6	M27 K28 M33 D34 V103 H107 L108	M27-A31 WeakPolarHBondContact O-CB 3.45Å; M27-A31 PolarHBondContact O-N 3.15Å; K28-A31 PolarHBondContact O-N 3.38Å; A31-M33 PolarHBondContact O-N 2.65Å; A31-D34 PolarHBondContact O-N 3.48Å; A31-D34 VanDerWaalsContact O-N 3.09Å; A31-V103 HydrophobicContact CB-CG1 3.64Å; A31-H107 HydrophobicContact CB-CB 4.49Å; A31-H107 WeakPolarHBondContact O-CB 3.3Å; A31-L108 HydrophobicContact CB-CD2 3.68Å; A31-L108 HydrophobicContact CB-CG 4.17Å
32	G	97.5	Very high	97.7	Very high	35 Å²	35	48 Å²	48	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-0.4	178.2	0	0	0	0	0	115.7	K28 K29 V30 D34	K28-G32 PolarHBondContact O-N 2.83Å; K29-G32 PolarHBondContact O-N 2.68Å; V30-G32 VanDerWaalsContact C-N 3.31Å; V30-G32 PolarHBondContact O-N 2.89Å; G32-D34 VanDerWaalsContact C-N 3.26Å
33	M	97.5	Very high	97.6	Very high	61 Å²	61	48.4 Å²	48.4	30%	0.3	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.9	169.6	-62.2	178.8	173.7	0	0	112.9	D3 R4 L7 K29 V30 A31 V35	D3-M33 HydrophobicContact CB-CE 4.2Å; R4-M33 HydrophobicContact CB-CE 4.09Å; R4-M33 HydrophobicContact CB-SD 3.65Å; R4-M33 HydrophobicContact CG-SD 3.9Å; L7-M33 HydrophobicContact CD1-CE 3.65Å; K29-M33 PolarHBondContact O-N 2.66Å; V30-M33 WeakPolarHBondContact O-CB 3.37Å; V30-M33 PolarHBondContact O-N 2.67Å; A31-M33 PolarHBondContact O-N 2.65Å; M33-V35 PolarHBondContact O-N 3.4Å; M33-V35 VanDerWaalsContact O-N 3.12Å
34	D	97.2	Very high	97.6	Very high	93 Å²	93	48.8 Å²	48.8	50%	0.497	26%	0.259	S	S	.	.			trans	55.1	31.2	175.7	-63.2	-41.5	0	0	0	114.1	A31 G32 H107	A31-D34 PolarHBondContact O-N 3.48Å; A31-D34 VanDerWaalsContact O-N 3.09Å; G32-D34 VanDerWaalsContact C-N 3.26Å; D34-H107 IonicContact OD1-CE1 3.57Å; D34-H107 IonicContact OD1-CG 3.33Å; D34-H107 IonicContact OD1-ND1 2.57Å; D34-H107 PolarHBondContact OD1-ND1 3.29Å; D34-H107 IonicContact OD2-ND1 3.98Å
35	V	96.7	Very high	97.6	Very high	85 Å²	85	48.2 Å²	48.2	52%	0.515	26%	0.255	S	S	.	.	S	Bend	trans	-119.4	137.4	176.3	170.9	0	0	0	0	108.3	R4 M33 L37	R4-V35 VanDerWaalsContact NH1-CB 3.35Å; M33-V35 PolarHBondContact O-N 3.4Å; M33-V35 VanDerWaalsContact O-N 3.12Å; V35-L37 PolarHBondContact O-N 3.07Å
36	E	97.7	Very high	97.5	Very high	49 Å²	49	43.8 Å²	43.8	23%	0.229	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-47.8	130.1	179.7	-171.4	161.8	-152.9	0	0	111.4	R4 A111 N113 T114 S117	R4-E36 PolarHBondContact NH2-O 2.96Å; E36-A111 WeakPolarHBondContact CB-O 3.42Å; E36-N113 PolarHBondContact OE1-N 2.83Å; E36-N113 VanDerWaalsContact OE2-CB 3.26Å; E36-N113 WeakPolarHBondContact OE2-CB 3.4Å; E36-N113 PolarHBondContact OE2-ND2 3.29Å; E36-T114 PolarHBondContact OE1-N 3.17Å; E36-T114 PolarHBondContact OE1-OG1 3.28Å; E36-S117 PolarHBondContact OE1-OG 3.08Å
37	L	98.2	Very high	97.4	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.2	139.6	175.6	-58.8	-169.1	0	0	0	109.9	V30 V35 E41 R42 L45 L108	V30-L37 HydrophobicContact CG1-CD2 3.7Å; V35-L37 PolarHBondContact O-N 3.07Å; L37-E41 HydrophobicContact CB-CB 3.99Å; L37-E41 HydrophobicContact CD1-CB 4.44Å; L37-E41 HydrophobicContact CD2-CB 4.3Å; L37-E41 HydrophobicContact CG-CB 4.48Å; L37-R42 HydrophobicContact CB-CB 4.25Å; L37-L45 HydrophobicContact CD1-CD2 4.29Å; L37-L108 HydrophobicContact CD1-CD2 3.58Å; L37-L108 HydrophobicContact CG-CD2 3.84Å
38	T	97.6	Very high	97.4	Very high	73 Å²	73	45.4 Å²	45.4	45%	0.448	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-64.2	163.8	163.9	63	0	0	0	0	110.3	E40 E41 R42	T38-E40 PolarHBondContact O-N 2.81Å; T38-E41 WeakPolarHBondContact CB-OE2 3.29Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.26Å; T38-E41 PolarHBondContact N-OE2 3.13Å; T38-E41 PolarHBondContact O-N 3.13Å; T38-E41 VanDerWaalsContact OG1-CD 3.24Å; T38-E41 VanDerWaalsContact OG1-CG 3.26Å; T38-E41 WeakPolarHBondContact OG1-CG 3.43Å; T38-E41 PolarHBondContact OG1-N 2.85Å; T38-E41 PolarHBondContact OG1-OE2 3.36Å; T38-R42 WeakPolarHBondContact O-CB 3.48Å; T38-R42 PolarHBondContact O-N 3.47Å
39	V	95.3	Very high	97.4	Very high	77 Å²	77	42.3 Å²	42.3	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-55.4	-41.9	175.7	172.1	0	0	0	0	111.4	N43	V39-N43 WeakPolarHBondContact O-CB 3.49Å; V39-N43 PolarHBondContact O-N 2.85Å; V39-N43 PolarHBondContact O-ND2 3.19Å; V39-N43 PolarHBondContact O-OD1 3.19Å
40	E	96.3	Very high	97.3	Very high	105 Å²	105	38.5 Å²	38.5	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-49.1	178.2	-173.9	178.5	-142.9	0	0	111.6	K12 T38 R42 N43 L44	K12-E40 VanDerWaalsContact CE-CD 3.46Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.86Å; K12-E40 PolarHBondContact NZ-OE1 3.49Å; K12-E40 IonicContact NZ-OE2 3.05Å; K12-E40 PolarHBondContact NZ-OE2 3.19Å; T38-E40 PolarHBondContact O-N 2.81Å; E40-R42 PolarHBondContact O-N 3.3Å; E40-N43 PolarHBondContact O-N 3.27Å; E40-L44 HydrophobicContact CG-CD1 4.33Å; E40-L44 WeakPolarHBondContact O-CG 3.41Å; E40-L44 PolarHBondContact O-N 3.18Å
41	E	98	Very high	97.1	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-42.2	179.7	-70.2	164.1	145.6	0	0	112.2	R4 V8 M27 L37 T38 N43 L44 L45	R4-E41 IonicContact CZ-OE1 3.7Å; R4-E41 IonicContact CZ-OE2 2.75Å; R4-E41 IonicContact NE-OE1 3.92Å; R4-E41 PolarHBondContact NE-OE1 3.46Å; R4-E41 IonicContact NE-OE2 2.97Å; R4-E41 VanDerWaalsContact NH2-CD 3.31Å; R4-E41 IonicContact NH2-OE1 3.96Å; R4-E41 PolarHBondContact NH2-OE1 2.92Å; R4-E41 IonicContact NH2-OE2 3.73Å; R4-E41 PolarHBondContact NH2-OE2 3.38Å; V8-E41 HydrophobicContact CG1-CG 4.49Å; V8-E41 HydrophobicContact CG2-CG 3.74Å; M27-E41 HydrophobicContact CE-CB 3.99Å; M27-E41 WeakPolarHBondContact CE-O 3.43Å; L37-E41 HydrophobicContact CB-CB 3.99Å; L37-E41 HydrophobicContact CD1-CB 4.44Å; L37-E41 HydrophobicContact CD2-CB 4.3Å; L37-E41 HydrophobicContact CG-CB 4.48Å; T38-E41 WeakPolarHBondContact CB-OE2 3.29Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.26Å; T38-E41 PolarHBondContact N-OE2 3.13Å; T38-E41 PolarHBondContact O-N 3.13Å; T38-E41 VanDerWaalsContact OG1-CD 3.24Å; T38-E41 VanDerWaalsContact OG1-CG 3.26Å; T38-E41 WeakPolarHBondContact OG1-CG 3.43Å; T38-E41 PolarHBondContact OG1-N 2.85Å; T38-E41 PolarHBondContact OG1-OE2 3.36Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 3.47Å; E41-L44 PolarHBondContact O-N 2.99Å; E41-L45 PolarHBondContact O-N 2.88Å
42	R	97.8	Very high	97	Very high	11 Å²	11	41 Å²	41	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-42.7	174.9	-178.8	-169.4	71	-155.2	2.5	111.3	L37 T38 E40 L45 S46 E116 F120 Y121	L37-R42 HydrophobicContact CB-CB 4.25Å; T38-R42 WeakPolarHBondContact O-CB 3.48Å; T38-R42 PolarHBondContact O-N 3.47Å; E40-R42 PolarHBondContact O-N 3.3Å; R42-L45 PolarHBondContact O-N 2.61Å; R42-S46 WeakPolarHBondContact O-CB 3.47Å; R42-S46 PolarHBondContact O-N 3.07Å; R42-E116 IonicContact CZ-OE1 3.87Å; R42-E116 VanDerWaalsContact CZ-OE1 3.22Å; R42-E116 IonicContact NH1-OE1 2.8Å; R42-E116 PolarHBondContact NH1-OE1 2.94Å; R42-E116 IonicContact NH2-OE1 3.83Å; R42-E116 PolarHBondContact NH2-OE1 3.37Å; R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.48Å; R42-F120 HydrophobicContact CG-CE1 3.43Å; R42-F120 VanDerWaalsContact CG-CE1 3.43Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.14Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; R42-Y121 HydrophobicContact CG-CE1 3.97Å
43	N	95.5	Very high	97	Very high	74 Å²	74	39.4 Å²	39.4	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-42.1	177.7	-70.7	-8.7	0	0	0	111.2	V39 E40 E41 S46 V47	V39-N43 WeakPolarHBondContact O-CB 3.49Å; V39-N43 PolarHBondContact O-N 2.85Å; V39-N43 PolarHBondContact O-ND2 3.19Å; V39-N43 PolarHBondContact O-OD1 3.19Å; E40-N43 PolarHBondContact O-N 3.27Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 3.47Å; N43-S46 WeakPolarHBondContact O-CB 3.41Å; N43-S46 PolarHBondContact O-N 3.29Å; N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 3.35Å
44	L	98	Very high	96.9	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-49.5	174.6	-72.3	169.7	0	0	0	111.5	V8 K12 E15 M23 M27 E40 E41 S46 V47 A48	V8-L44 HydrophobicContact CG1-CD1 3.94Å; K12-L44 HydrophobicContact CG-CD1 3.98Å; K12-L44 HydrophobicContact CG-CD2 4.09Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.12Å; M23-L44 HydrophobicContact CE-CB 3.73Å; M23-L44 HydrophobicContact CE-CD2 3.39Å; M23-L44 HydrophobicContact CE-CG 4.17Å; M23-L44 WeakPolarHBondContact CE-O 3.45Å; M27-L44 HydrophobicContact CE-CB 4.26Å; M27-L44 HydrophobicContact CG-CB 4.27Å; M27-L44 HydrophobicContact SD-CB 3.93Å; M27-L44 HydrophobicContact SD-CD1 4.37Å; E40-L44 HydrophobicContact CG-CD1 4.33Å; E40-L44 WeakPolarHBondContact O-CG 3.41Å; E40-L44 PolarHBondContact O-N 3.18Å; E41-L44 PolarHBondContact O-N 2.99Å; L44-S46 VanDerWaalsContact C-N 3.26Å; L44-S46 PolarHBondContact O-N 3.02Å; L44-V47 PolarHBondContact O-N 2.92Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.31Å
45	L	98.2	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.8	-44.7	176	180	80.8	0	0	0	111.4	M27 L37 E41 R42 A48 Y49 I100 L108	M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.59Å; M27-L45 HydrophobicContact CE-CB 4.3Å; M27-L45 HydrophobicContact CG-CB 4.5Å; L37-L45 HydrophobicContact CD1-CD2 4.29Å; E41-L45 PolarHBondContact O-N 2.88Å; R42-L45 PolarHBondContact O-N 2.61Å; L45-A48 WeakPolarHBondContact O-CB 3.44Å; L45-A48 PolarHBondContact O-N 2.62Å; L45-Y49 HydrophobicContact CD1-CD2 3.92Å; L45-Y49 HydrophobicContact CD1-CE2 3.74Å; L45-Y49 HydrophobicContact CG-CD2 4.21Å; L45-Y49 HydrophobicContact CG-CE2 4.46Å; L45-Y49 PolarHBondContact O-N 3.08Å; L45-Y49 VanDerWaalsContact O-N 3.14Å; L45-I100 HydrophobicContact CD2-CD1 4.48Å; L45-L108 HydrophobicContact CD2-CD1 3.31Å; L45-L108 HydrophobicContact CD2-CD2 4.47Å
46	S	96.8	Very high	96.7	Very high	30 Å²	30	34.3 Å²	34.3	21%	0.21	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-47.7	179.3	-170.5	0	0	0	0	112.5	R42 N43 L44 A48 Y49 K50 M124	R42-S46 WeakPolarHBondContact O-CB 3.47Å; R42-S46 PolarHBondContact O-N 3.07Å; N43-S46 WeakPolarHBondContact O-CB 3.41Å; N43-S46 PolarHBondContact O-N 3.29Å; L44-S46 VanDerWaalsContact C-N 3.26Å; L44-S46 PolarHBondContact O-N 3.02Å; S46-A48 VanDerWaalsContact C-N 3.31Å; S46-A48 PolarHBondContact O-N 3.42Å; S46-Y49 PolarHBondContact O-N 3.06Å; S46-K50 WeakPolarHBondContact O-CB 3.37Å; S46-K50 PolarHBondContact O-N 2.97Å; S46-M124 WeakPolarHBondContact OG-CE 3.43Å
47	V	96.3	Very high	96.6	Very high	43 Å²	43	32.1 Å²	32.1	26%	0.261	18%	0.182	S	C	.	.	H	α-helix	trans	-60.5	-42	177.2	168.3	0	0	0	0	110.9	Y20 M23 N43 L44 N51	Y20-V47 HydrophobicContact CE1-CG1 4.28Å; M23-V47 HydrophobicContact CE-CB 4.12Å; M23-V47 HydrophobicContact CE-CG1 4.11Å; M23-V47 HydrophobicContact SD-CG1 4.28Å; N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 3.35Å; L44-V47 PolarHBondContact O-N 2.92Å; V47-N51 PolarHBondContact O-N 3.31Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.99Å
48	A	97.6	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-58.7	178.2	0	0	0	0	0	111.3	M23 V24 L44 L45 S46 N51 V52	M23-A48 HydrophobicContact CB-CB 3.77Å; M23-A48 HydrophobicContact CE-CB 4.33Å; M23-A48 HydrophobicContact CG-CB 3.58Å; M23-A48 HydrophobicContact SD-CB 3.54Å; M23-A48 VanDerWaalsContact SD-CB 3.54Å; V24-A48 HydrophobicContact CG2-CB 3.71Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.31Å; L45-A48 WeakPolarHBondContact O-CB 3.44Å; L45-A48 PolarHBondContact O-N 2.62Å; S46-A48 VanDerWaalsContact C-N 3.31Å; S46-A48 PolarHBondContact O-N 3.42Å; A48-N51 PolarHBondContact O-N 2.89Å; A48-V52 WeakPolarHBondContact O-CG2 3.29Å; A48-V52 PolarHBondContact O-N 3.44Å
49	Y	98	Very high	96.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-37.5	-177.4	-85.3	-78.2	0	0	0	112.5	V24 K28 L45 S46 N51 V52 I53 I96 D99 I100 Y128	V24-Y49 HydrophobicContact CB-CE2 4.47Å; V24-Y49 HydrophobicContact CG1-CE1 3.83Å; V24-Y49 HydrophobicContact CG1-CE2 3.84Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.47Å; V24-Y49 HydrophobicContact CG2-CD1 4.07Å; V24-Y49 HydrophobicContact CG2-CD2 3.99Å; V24-Y49 HydrophobicContact CG2-CE1 4.2Å; V24-Y49 HydrophobicContact CG2-CE2 4.12Å; V24-Y49 HydrophobicContact CG2-CG 3.98Å; K28-Y49 VanDerWaalsContact CD-OH 3.28Å; K28-Y49 WeakPolarHBondContact CD-OH 3.34Å; K28-Y49 HydrophobicContact CG-CE2 4.41Å; K28-Y49 WeakPolarHBondContact CG-OH 3.45Å; L45-Y49 HydrophobicContact CD1-CD2 3.92Å; L45-Y49 HydrophobicContact CD1-CE2 3.74Å; L45-Y49 HydrophobicContact CG-CD2 4.21Å; L45-Y49 HydrophobicContact CG-CE2 4.46Å; L45-Y49 PolarHBondContact O-N 3.08Å; L45-Y49 VanDerWaalsContact O-N 3.14Å; S46-Y49 PolarHBondContact O-N 3.06Å; Y49-N51 VanDerWaalsContact C-N 3.34Å; Y49-N51 PolarHBondContact O-N 3.02Å; Y49-V52 PolarHBondContact O-N 2.88Å; Y49-I53 WeakPolarHBondContact O-CB 3.42Å; Y49-I53 VanDerWaalsContact O-CG2 3.31Å; Y49-I53 WeakPolarHBondContact O-CG2 3.5Å; Y49-I53 PolarHBondContact O-N 2.89Å; Y49-I96 HydrophobicContact CD1-CG2 4.26Å; Y49-D99 PolarHBondContact OH-OD2 2.89Å; Y49-I100 HydrophobicContact CD1-CB 3.8Å; Y49-I100 HydrophobicContact CD1-CG1 4.39Å; Y49-I100 HydrophobicContact CD1-CG2 4.4Å; Y49-I100 HydrophobicContact CD2-CB 4.47Å; Y49-I100 HydrophobicContact CD2-CD1 3.77Å; Y49-I100 HydrophobicContact CD2-CG1 4.33Å; Y49-I100 HydrophobicContact CE1-CB 3.63Å; Y49-I100 HydrophobicContact CE1-CG1 4.49Å; Y49-I100 HydrophobicContact CE1-CG2 4.47Å; Y49-I100 HydrophobicContact CE2-CB 4.31Å; Y49-I100 HydrophobicContact CE2-CD1 3.68Å; Y49-I100 HydrophobicContact CE2-CG1 4.42Å; Y49-I100 HydrophobicContact CG-CB 4.2Å; Y49-I100 HydrophobicContact CG-CD1 4.23Å; Y49-I100 HydrophobicContact CG-CG1 4.29Å; Y49-Y128 VanDerWaalsContact CB-OH 3.32Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.35Å; Y49-Y128 PolarHBondContact O-OH 2.89Å
50	K	95.7	Very high	96.5	Very high	36 Å²	36	30.5 Å²	30.5	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-47	175.8	174.4	175.6	166	166	0	111.5	S46 G54 V250 E251	S46-K50 WeakPolarHBondContact O-CB 3.37Å; S46-K50 PolarHBondContact O-N 2.97Å; K50-G54 WeakPolarHBondContact O-CA 3.49Å; K50-G54 PolarHBondContact O-N 3.16Å; K50-V250 PolarHBondContact NZ-O 3.1Å; K50-E251 HydrophobicContact CD-CB 4.5Å; K50-E251 HydrophobicContact CD-CG 4.45Å; K50-E251 WeakPolarHBondContact CE-O 3.43Å; K50-E251 HydrophobicContact CG-CB 4.42Å; K50-E251 HydrophobicContact CG-CG 4.34Å; K50-E251 PolarHBondContact NZ-O 2.86Å; K50-E251 VanDerWaalsContact NZ-O 3.07Å
51	N	95.2	Very high	96.4	Very high	50 Å²	50	28.9 Å²	28.9	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-69.2	-40.7	179.6	-80.1	-77.1	0	0	0	112.2	Y20 V47 A48 Y49 A55	Y20-N51 HydrophobicContact CD1-CB 3.61Å; Y20-N51 HydrophobicContact CD2-CB 3.36Å; Y20-N51 HydrophobicContact CE1-CB 3.84Å; Y20-N51 VanDerWaalsContact CE1-ND2 3.34Å; Y20-N51 WeakPolarHBondContact CE1-ND2 2.99Å; Y20-N51 HydrophobicContact CE2-CB 3.58Å; Y20-N51 HydrophobicContact CG-CB 3.35Å; V47-N51 PolarHBondContact O-N 3.31Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.99Å; A48-N51 PolarHBondContact O-N 2.89Å; Y49-N51 VanDerWaalsContact C-N 3.34Å; Y49-N51 PolarHBondContact O-N 3.02Å; N51-A55 PolarHBondContact O-N 2.86Å
52	V	96.3	Very high	96.4	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-45.6	179.1	174	0	0	0	0	111.5	V24 A48 Y49 R56 I96	V24-V52 HydrophobicContact CG2-CG2 4.09Å; A48-V52 WeakPolarHBondContact O-CG2 3.29Å; A48-V52 PolarHBondContact O-N 3.44Å; Y49-V52 PolarHBondContact O-N 2.88Å; V52-R56 VanDerWaalsContact O-CZ 3.25Å; V52-R56 PolarHBondContact O-NE 2.9Å; V52-R56 PolarHBondContact O-NH2 2.85Å; V52-R56 VanDerWaalsContact O-NH2 3.07Å; V52-I96 HydrophobicContact CG1-CD1 3.73Å; V52-I96 HydrophobicContact CG1-CG1 3.91Å; V52-I96 HydrophobicContact CG1-CG2 4.07Å
53	I	96.6	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-73.9	-39.8	-179.9	-161.8	73.4	0	0	0	111.6	Y49 A55 R56 R57 L93 I96 Y128 Y131	Y49-I53 WeakPolarHBondContact O-CB 3.42Å; Y49-I53 VanDerWaalsContact O-CG2 3.31Å; Y49-I53 WeakPolarHBondContact O-CG2 3.5Å; Y49-I53 PolarHBondContact O-N 2.89Å; I53-A55 PolarHBondContact O-N 3.33Å; I53-R56 PolarHBondContact O-N 3.26Å; I53-R56 VanDerWaalsContact O-N 3.13Å; I53-R57 HydrophobicContact CG1-CG 4.17Å; I53-R57 WeakPolarHBondContact O-CG 3.35Å; I53-R57 PolarHBondContact O-N 3.24Å; I53-L93 HydrophobicContact CD1-CD2 3.57Å; I53-L93 HydrophobicContact CG1-CD2 4.21Å; I53-I96 HydrophobicContact CB-CG2 4.11Å; I53-I96 HydrophobicContact CD1-CB 3.78Å; I53-I96 HydrophobicContact CD1-CD1 4.36Å; I53-I96 HydrophobicContact CD1-CG2 3.56Å; I53-I96 HydrophobicContact CG1-CG2 4.4Å; I53-Y128 HydrophobicContact CB-CE1 3.89Å; I53-Y128 HydrophobicContact CD1-CD1 4.47Å; I53-Y128 HydrophobicContact CD1-CE1 4.09Å; I53-Y128 HydrophobicContact CG1-CD1 4.44Å; I53-Y128 HydrophobicContact CG1-CE1 3.82Å; I53-Y128 HydrophobicContact CG2-CE1 3.98Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.23Å; I53-Y131 HydrophobicContact CG1-CD2 4.02Å; I53-Y131 HydrophobicContact CG2-CE2 4.48Å
54	G	94.8	Very high	96.3	Very high	26 Å²	26	31.2 Å²	31.2	27%	0.268	18%	0.179	S	C	.	.	H	α-helix	trans	-59.5	-46	-177.7	0	0	0	0	0	112.4	K50 R56 R57 A58	K50-G54 WeakPolarHBondContact O-CA 3.49Å; K50-G54 PolarHBondContact O-N 3.16Å; G54-R56 VanDerWaalsContact C-N 3.3Å; G54-R56 PolarHBondContact O-N 3.21Å; G54-R57 PolarHBondContact O-N 3.2Å; G54-A58 WeakPolarHBondContact O-CB 3.28Å; G54-A58 PolarHBondContact O-N 3.28Å
55	A	93.9	Very high	96.2	Very high	43 Å²	43	32.9 Å²	32.9	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-37.9	176.6	0	0	0	0	0	112.9	N51 I53 S59	N51-A55 PolarHBondContact O-N 2.86Å; I53-A55 PolarHBondContact O-N 3.33Å; A55-S59 PolarHBondContact O-N 2.83Å; A55-S59 VanDerWaalsContact O-N 3.13Å; A55-S59 PolarHBondContact O-OG 3.46Å
56	R	96.5	Very high	96	Very high	64 Å²	64	36.6 Å²	36.6	24%	0.242	21%	0.21	C	C	.	.	H	α-helix	trans	-74.3	-38.7	177.9	-95.1	48.3	69.1	176.4	14.4	112	V52 I53 G54 S59 W60 E92 L93 I96	V52-R56 VanDerWaalsContact O-CZ 3.25Å; V52-R56 PolarHBondContact O-NE 2.9Å; V52-R56 PolarHBondContact O-NH2 2.85Å; V52-R56 VanDerWaalsContact O-NH2 3.07Å; I53-R56 PolarHBondContact O-N 3.26Å; I53-R56 VanDerWaalsContact O-N 3.13Å; G54-R56 VanDerWaalsContact C-N 3.3Å; G54-R56 PolarHBondContact O-N 3.21Å; R56-S59 WeakPolarHBondContact O-CB 3.47Å; R56-S59 PolarHBondContact O-N 3.3Å; R56-W60 PolarHBondContact O-N 2.89Å; R56-E92 HydrophobicContact CG-CB 4.37Å; R56-L93 HydrophobicContact CB-CD2 3.55Å; R56-L93 HydrophobicContact CB-CG 3.93Å; R56-I96 HydrophobicContact CB-CD1 4.13Å; R56-I96 HydrophobicContact CG-CD1 3.85Å
57	R	96	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-44.1	174.3	-74.5	177.7	71	-143.9	7.6	111.2	I53 G54 S59 W60 R61 L93 Y131 E134 D249 E251	I53-R57 HydrophobicContact CG1-CG 4.17Å; I53-R57 WeakPolarHBondContact O-CG 3.35Å; I53-R57 PolarHBondContact O-N 3.24Å; G54-R57 PolarHBondContact O-N 3.2Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-S59 PolarHBondContact O-N 3.42Å; R57-W60 PolarHBondContact O-N 3.38Å; R57-R61 WeakPolarHBondContact O-CG 3.29Å; R57-R61 PolarHBondContact O-N 2.87Å; R57-L93 HydrophobicContact CG-CD2 3.72Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.44Å; R57-Y131 VanDerWaalsContact NE-CD1 3.33Å; R57-Y131 VanDerWaalsContact NH2-CE1 3.34Å; R57-E134 IonicContact CZ-OE1 3.74Å; R57-E134 IonicContact NE-OE1 3.68Å; R57-E134 IonicContact NE-OE2 3.62Å; R57-E134 PolarHBondContact NE-OE2 3.25Å; R57-E134 IonicContact NH2-OE1 3.22Å; R57-E134 PolarHBondContact NH2-OE1 3.34Å; R57-E134 IonicContact NH2-OE2 2.74Å; R57-D249 IonicContact NH1-OD2 2.67Å; R57-D249 IonicContact NH2-OD2 3.46Å; R57-E251 IonicContact NH1-OE2 2.71Å; R57-E251 PolarHBondContact NH1-OE2 2.93Å
58	A	94.8	Very high	95.8	Very high	40 Å²	40	40.2 Å²	40.2	33%	0.331	22%	0.221	S	C	.	.	H	α-helix	trans	-58.8	-45.9	174.8	0	0	0	0	0	111.6	G54 W60 R61 I62	G54-A58 WeakPolarHBondContact O-CB 3.28Å; G54-A58 PolarHBondContact O-N 3.28Å; A58-W60 PolarHBondContact O-N 3.43Å; A58-R61 PolarHBondContact O-N 2.85Å; A58-I62 WeakPolarHBondContact O-CG1 3.47Å; A58-I62 PolarHBondContact O-N 3.07Å; A58-I62 VanDerWaalsContact O-N 3.08Å
59	S	96.3	Very high	95.6	Very high	48 Å²	48	46.3 Å²	46.3	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-48.1	175.7	-60	0	0	0	0	111.5	A55 R56 R57 R61 I62 I63	A55-S59 PolarHBondContact O-N 2.83Å; A55-S59 VanDerWaalsContact O-N 3.13Å; A55-S59 PolarHBondContact O-OG 3.46Å; R56-S59 WeakPolarHBondContact O-CB 3.47Å; R56-S59 PolarHBondContact O-N 3.3Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-S59 PolarHBondContact O-N 3.42Å; S59-R61 PolarHBondContact O-N 3.11Å; S59-I62 PolarHBondContact O-N 3.41Å; S59-I63 VanDerWaalsContact O-CD1 3.29Å; S59-I63 WeakPolarHBondContact O-CD1 3.15Å; S59-I63 WeakPolarHBondContact O-CG1 3.49Å; S59-I63 PolarHBondContact O-N 3.48Å
60	W	97.4	Very high	95.3	Very high	36 Å²	36	47.2 Å²	47.2	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-43.2	179	174.6	77.7	0	0	0	113.2	R56 R57 A58 I63 S64 V89 E90 L93 E134 F135	R56-W60 PolarHBondContact O-N 2.89Å; R57-W60 PolarHBondContact O-N 3.38Å; A58-W60 PolarHBondContact O-N 3.43Å; W60-I63 PolarHBondContact O-N 3.19Å; W60-S64 VanDerWaalsContact O-CB 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.36Å; W60-S64 PolarHBondContact O-N 2.91Å; W60-S64 PolarHBondContact O-OG 3.17Å; W60-V89 HydrophobicContact CB-CG1 3.81Å; W60-E90 PolarHBondContact NE1-OE1 2.88Å; W60-L93 HydrophobicContact CB-CD1 3.58Å; W60-L93 HydrophobicContact CG-CD1 3.86Å; W60-E134 HydrophobicContact CH2-CB 4.02Å; W60-E134 HydrophobicContact CZ3-CB 4.11Å; W60-F135 HydrophobicContact CD2-CB 4.48Å; W60-F135 HydrophobicContact CH2-CB 4.3Å; W60-F135 HydrophobicContact CZ2-CB 3.51Å
61	R	95.4	Very high	95.1	Very high	71 Å²	71	50.3 Å²	50.3	27%	0.268	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-45	176.9	-72.9	177.1	179.1	137.9	-11.5	111.9	R57 A58 S59 S64 S65	R57-R61 WeakPolarHBondContact O-CG 3.29Å; R57-R61 PolarHBondContact O-N 2.87Å; A58-R61 PolarHBondContact O-N 2.85Å; S59-R61 PolarHBondContact O-N 3.11Å; R61-S64 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-N 3.27Å
62	I	96.2	Very high	94.8	Very high	104 Å²	104	54.3 Å²	54.3	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-48.3	178	-68.8	166.8	0	0	0	110.4	A58 S59 S64 S65 I66	A58-I62 WeakPolarHBondContact O-CG1 3.47Å; A58-I62 PolarHBondContact O-N 3.07Å; A58-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 PolarHBondContact O-N 3.41Å; I62-S64 PolarHBondContact O-N 2.6Å; I62-S65 WeakPolarHBondContact O-CB 3.15Å; I62-S65 PolarHBondContact O-N 3.41Å; I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 3.36Å
63	I	97	Very high	94.5	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-42.1	-178.5	-62.4	158.3	0	0	0	110.6	S59 W60 S65 I66 E67 I82 Y85 R86 V89	S59-I63 VanDerWaalsContact O-CD1 3.29Å; S59-I63 WeakPolarHBondContact O-CD1 3.15Å; S59-I63 WeakPolarHBondContact O-CG1 3.49Å; S59-I63 PolarHBondContact O-N 3.48Å; W60-I63 PolarHBondContact O-N 3.19Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.13Å; I63-I66 WeakPolarHBondContact O-CB 3.43Å; I63-I66 PolarHBondContact O-N 2.93Å; I63-I66 VanDerWaalsContact O-N 3.13Å; I63-E67 PolarHBondContact O-N 3.41Å; I63-I82 HydrophobicContact CG2-CG2 4.06Å; I63-Y85 HydrophobicContact CD1-CD1 3.42Å; I63-Y85 VanDerWaalsContact CD1-CD1 3.42Å; I63-Y85 HydrophobicContact CD1-CE1 3.37Å; I63-Y85 HydrophobicContact CG1-CD1 3.85Å; I63-Y85 HydrophobicContact CG1-CE1 3.96Å; I63-Y85 HydrophobicContact CG2-CD1 4.31Å; I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.4Å; I63-V89 HydrophobicContact CD1-CB 4.28Å; I63-V89 HydrophobicContact CD1-CG2 3.52Å
64	S	95.7	Very high	93.7	Very high	32 Å²	32	64 Å²	64	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-40.1	175.4	-62	0	0	0	0	112	W60 R61 I62 E67 Q68 R86	W60-S64 VanDerWaalsContact O-CB 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.36Å; W60-S64 PolarHBondContact O-N 2.91Å; W60-S64 PolarHBondContact O-OG 3.17Å; R61-S64 PolarHBondContact O-N 3.23Å; I62-S64 PolarHBondContact O-N 2.6Å; S64-E67 PolarHBondContact O-N 3.21Å; S64-Q68 PolarHBondContact O-N 2.75Å; S64-Q68 VanDerWaalsContact O-N 3.1Å; S64-R86 WeakPolarHBondContact OG-CD 3.29Å
65	S	95	Very high	93.3	Very high	45 Å²	45	64 Å²	64	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-38.8	173.4	-173.8	0	0	0	0	112.6	R61 I62 I63 K69	R61-S65 PolarHBondContact O-N 3.27Å; I62-S65 WeakPolarHBondContact O-CB 3.15Å; I62-S65 PolarHBondContact O-N 3.41Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.13Å; S65-K69 WeakPolarHBondContact O-CG 3.06Å; S65-K69 PolarHBondContact O-N 3.29Å; S65-K69 VanDerWaalsContact O-N 3.16Å
66	I	95.2	Very high	93.1	Very high	78 Å²	78	69.8 Å²	69.8	40%	0.4	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-42	175.6	-67.9	166.5	0	0	0	110.6	I62 I63 K69 E70 I82	I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 3.36Å; I63-I66 WeakPolarHBondContact O-CB 3.43Å; I63-I66 PolarHBondContact O-N 2.93Å; I63-I66 VanDerWaalsContact O-N 3.13Å; I66-K69 PolarHBondContact O-N 3.44Å; I66-E70 PolarHBondContact O-N 3.43Å; I66-I82 HydrophobicContact CG2-CD1 3.89Å; I66-I82 HydrophobicContact CG2-CG1 4.24Å; I66-I82 HydrophobicContact CG2-CG2 4.43Å
67	E	94.9	Very high	92.9	Very high	22 Å²	22	73.3 Å²	73.3	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-56.8	-51.8	176.2	-171.4	-178.3	172.3	0	0	110.9	I63 S64 K69 E70 E71 L79 I82 R83 R86	I63-E67 PolarHBondContact O-N 3.41Å; S64-E67 PolarHBondContact O-N 3.21Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 2.88Å; E67-E70 PolarHBondContact O-N 3.3Å; E67-E70 VanDerWaalsContact O-N 3.09Å; E67-E71 WeakPolarHBondContact O-CB 3.4Å; E67-E71 PolarHBondContact O-N 2.88Å; E67-L79 HydrophobicContact CG-CD1 3.77Å; E67-I82 HydrophobicContact CB-CG2 3.64Å; E67-I82 HydrophobicContact CG-CG2 4.16Å; E67-R83 HydrophobicContact CG-CG 4.3Å; E67-R83 WeakPolarHBondContact OE1-CG 3.39Å; E67-R83 IonicContact OE1-CZ 3.74Å; E67-R83 IonicContact OE1-NE 2.83Å; E67-R83 PolarHBondContact OE1-NE 2.94Å; E67-R83 IonicContact OE1-NH2 2.73Å; E67-R86 IonicContact OE1-NH2 3.78Å; E67-R86 WeakPolarHBondContact OE2-CD 3.38Å; E67-R86 IonicContact OE2-CZ 3.8Å; E67-R86 IonicContact OE2-NE 3.74Å; E67-R86 PolarHBondContact OE2-NE 3.19Å; E67-R86 IonicContact OE2-NH2 3.48Å; E67-R86 PolarHBondContact OE2-NH2 3.43Å
68	Q	92.8	Very high	92.8	Very high	127 Å²	127	79.5 Å²	79.5	59%	0.593	42%	0.419	S	S	*	.	H	α-helix	trans	-58.3	-40.3	179.7	-170.3	-176.5	11.8	0	0	111.9	S64 N72	S64-Q68 PolarHBondContact O-N 2.75Å; S64-Q68 VanDerWaalsContact O-N 3.1Å; Q68-N72 PolarHBondContact O-N 3Å; Q68-N72 PolarHBondContact O-ND2 3.41Å
69	K	93.2	Very high	92.8	Very high	128 Å²	128	78.5 Å²	78.5	56%	0.557	41%	0.408	S	S	*	.	H	α-helix	trans	-69.2	-34	177.5	-72.3	172	-173.9	170.2	0	112.9	S65 I66 E67	S65-K69 WeakPolarHBondContact O-CG 3.06Å; S65-K69 PolarHBondContact O-N 3.29Å; S65-K69 VanDerWaalsContact O-N 3.16Å; I66-K69 PolarHBondContact O-N 3.44Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 2.88Å
70	E	93	Very high	92.8	Very high	21 Å²	21	82.5 Å²	82.5	10%	0.098	42%	0.419	C	S	.	.	H	α-helix	trans	-80.3	-34.2	-179.8	-163	65.9	-168.6	0	0	112.2	I66 E67 N72 K73 K78 I82	I66-E70 PolarHBondContact O-N 3.43Å; E67-E70 PolarHBondContact O-N 3.3Å; E67-E70 VanDerWaalsContact O-N 3.09Å; E70-N72 PolarHBondContact O-N 3.34Å; E70-K73 WeakPolarHBondContact O-CB 3.48Å; E70-K73 PolarHBondContact O-N 3.35Å; E70-K73 WeakPolarHBondContact OE2-CD 3.29Å; E70-K73 IonicContact OE2-NZ 2.78Å; E70-K73 PolarHBondContact OE2-NZ 3.45Å; E70-K78 HydrophobicContact CG-CB 4.09Å; E70-K78 VanDerWaalsContact OE1-CD 3.28Å; E70-K78 WeakPolarHBondContact OE1-CD 3.41Å; E70-I82 HydrophobicContact CB-CD1 3.55Å; E70-I82 HydrophobicContact CG-CD1 3.69Å
71	E	91	Very high	92.7	Very high	100 Å²	100	87 Å²	87	47%	0.467	44%	0.444	S	S	.	.	H	α-helix	trans	-56.3	-39	173.2	-172.6	161.2	-132.2	0	0	111.3	E67 K73 G74 L79 R83	E67-E71 WeakPolarHBondContact O-CB 3.4Å; E67-E71 PolarHBondContact O-N 2.88Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-G74 PolarHBondContact O-N 3.41Å; E71-L79 HydrophobicContact CB-CD1 4.09Å; E71-L79 HydrophobicContact CB-CD2 4.38Å; E71-L79 HydrophobicContact CG-CD2 4.35Å; E71-R83 IonicContact OE1-NH2 3.67Å; E71-R83 PolarHBondContact OE1-NH2 3.42Å
72	N	89.6	Confident	92.8	Very high	135 Å²	135	84.9 Å²	84.9	72%	0.722	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.7	175.4	-68.9	-25.8	0	0	0	114.7	Q68 E70	Q68-N72 PolarHBondContact O-N 3Å; Q68-N72 PolarHBondContact O-ND2 3.41Å; E70-N72 PolarHBondContact O-N 3.34Å
73	K	88.9	Confident	92.9	Very high	144 Å²	144	84.5 Å²	84.5	63%	0.626	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-13.2	-179.7	-61.5	179.4	-157.3	152.7	0	113.8	E70 E71	E70-K73 WeakPolarHBondContact O-CB 3.48Å; E70-K73 PolarHBondContact O-N 3.35Å; E70-K73 WeakPolarHBondContact OE2-CD 3.29Å; E70-K73 IonicContact OE2-NZ 2.78Å; E70-K73 PolarHBondContact OE2-NZ 3.45Å; E71-K73 PolarHBondContact O-N 3.31Å
74	G	80.8	Confident	92.9	Very high	65 Å²	65	88.9 Å²	88.9	67%	0.67	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	16.8	178.6	0	0	0	0	0	116	E71 E76	E71-G74 PolarHBondContact O-N 3.41Å; G74-E76 PolarHBondContact O-N 2.88Å
75	G	84.6	Confident	93	Very high	27 Å²	27	93.4 Å²	93.4	28%	0.278	46%	0.462	S	S	.	.			trans	-86.3	95.5	177.2	0	0	0	0	0	113	D77 L79	G75-D77 PolarHBondContact O-N 3.32Å; G75-L79 VanDerWaalsContact O-CB 3.28Å; G75-L79 WeakPolarHBondContact O-CB 3.41Å; G75-L79 PolarHBondContact O-N 3.34Å
76	E	90	Very high	93.1	Very high	164 Å²	164	94 Å²	94	77%	0.766	46%	0.458	S	S	*	.	H	α-helix	trans	-61.1	-45	-174	-67.8	-174.9	176.2	0	0	114.3	G74 K78 L79 K80	G74-E76 PolarHBondContact O-N 2.88Å; E76-K78 PolarHBondContact O-N 2.67Å; E76-L79 PolarHBondContact O-N 2.94Å; E76-K80 WeakPolarHBondContact O-CB 3.32Å; E76-K80 PolarHBondContact O-N 3.27Å
77	D	92.4	Very high	93.2	Very high	137 Å²	137	96.2 Å²	96.2	73%	0.733	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-44.6	-176.9	-71.2	-27.4	0	0	0	112.2	G75 K80 M81	G75-D77 PolarHBondContact O-N 3.32Å; D77-K80 PolarHBondContact O-N 2.99Å; D77-M81 WeakPolarHBondContact O-CG 3.5Å; D77-M81 PolarHBondContact O-N 3.37Å; D77-M81 VanDerWaalsContact O-N 3.14Å
78	K	93.7	Very high	93.4	Very high	133 Å²	133	99.8 Å²	99.8	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-67.8	-42.2	177.4	-71.2	-178.4	178.9	178.4	0	111.2	E70 E76 K80 M81 I82	E70-K78 HydrophobicContact CG-CB 4.09Å; E70-K78 VanDerWaalsContact OE1-CD 3.28Å; E70-K78 WeakPolarHBondContact OE1-CD 3.41Å; E76-K78 PolarHBondContact O-N 2.67Å; K78-K80 VanDerWaalsContact C-N 3.27Å; K78-K80 PolarHBondContact O-N 3.21Å; K78-M81 PolarHBondContact O-N 2.9Å; K78-I82 WeakPolarHBondContact O-CD1 3.47Å; K78-I82 VanDerWaalsContact O-CG1 3.29Å; K78-I82 WeakPolarHBondContact O-CG1 3.37Å; K78-I82 PolarHBondContact O-N 3.33Å
79	L	95.3	Very high	93.6	Very high	19 Å²	19	93.9 Å²	93.9	10%	0.099	46%	0.457	C	S	.	.	H	α-helix	trans	-59.3	-40.9	177.1	-177.4	60.8	0	0	0	111.2	E67 E71 G75 E76 I82 R83	E67-L79 HydrophobicContact CG-CD1 3.77Å; E71-L79 HydrophobicContact CB-CD1 4.09Å; E71-L79 HydrophobicContact CB-CD2 4.38Å; E71-L79 HydrophobicContact CG-CD2 4.35Å; G75-L79 VanDerWaalsContact O-CB 3.28Å; G75-L79 WeakPolarHBondContact O-CB 3.41Å; G75-L79 PolarHBondContact O-N 3.34Å; E76-L79 PolarHBondContact O-N 2.94Å; L79-I82 PolarHBondContact O-N 3.25Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.48Å
80	K	96.3	Very high	93.9	Very high	131 Å²	131	89.1 Å²	89.1	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-60.7	-48.2	174.1	-177	-180	171.3	-175.1	0	112	E76 D77 K78 I82 R83 E84	E76-K80 WeakPolarHBondContact O-CB 3.32Å; E76-K80 PolarHBondContact O-N 3.27Å; D77-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact C-N 3.27Å; K78-K80 PolarHBondContact O-N 3.21Å; K80-I82 VanDerWaalsContact C-N 3.3Å; K80-I82 PolarHBondContact O-N 3Å; K80-R83 PolarHBondContact O-N 3.4Å; K80-E84 WeakPolarHBondContact CE-OE1 3.31Å; K80-E84 IonicContact NZ-OE1 3.96Å; K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 3.24Å
81	M	96.2	Very high	94.1	Very high	132 Å²	132	91.9 Å²	91.9	65%	0.65	46%	0.455	S	S	*	.	H	α-helix	trans	-59.7	-40.3	177.4	-68.3	177.8	68.8	0	0	112.3	D77 K78 Y85	D77-M81 WeakPolarHBondContact O-CG 3.5Å; D77-M81 PolarHBondContact O-N 3.37Å; D77-M81 VanDerWaalsContact O-N 3.14Å; K78-M81 PolarHBondContact O-N 2.9Å; M81-Y85 WeakPolarHBondContact O-CB 3.46Å; M81-Y85 PolarHBondContact O-N 3.48Å
82	I	97	Very high	94.5	Very high	26 Å²	26	91 Å²	91	13%	0.133	45%	0.451	C	S	.	.	H	α-helix	trans	-65.5	-42.9	178.2	-65.5	158.4	0	0	0	110.7	I63 I66 E67 E70 K78 L79 K80 Y85 R86	I63-I82 HydrophobicContact CG2-CG2 4.06Å; I66-I82 HydrophobicContact CG2-CD1 3.89Å; I66-I82 HydrophobicContact CG2-CG1 4.24Å; I66-I82 HydrophobicContact CG2-CG2 4.43Å; E67-I82 HydrophobicContact CB-CG2 3.64Å; E67-I82 HydrophobicContact CG-CG2 4.16Å; E70-I82 HydrophobicContact CB-CD1 3.55Å; E70-I82 HydrophobicContact CG-CD1 3.69Å; K78-I82 WeakPolarHBondContact O-CD1 3.47Å; K78-I82 VanDerWaalsContact O-CG1 3.29Å; K78-I82 WeakPolarHBondContact O-CG1 3.37Å; K78-I82 PolarHBondContact O-N 3.33Å; L79-I82 PolarHBondContact O-N 3.25Å; K80-I82 VanDerWaalsContact C-N 3.3Å; K80-I82 PolarHBondContact O-N 3Å; I82-Y85 PolarHBondContact O-N 3.46Å; I82-R86 PolarHBondContact O-N 3.07Å
83	R	97.2	Very high	94.9	Very high	95 Å²	95	84.7 Å²	84.7	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-44.1	177.2	-78.7	173.3	174.6	163	3.1	112.7	E67 E71 L79 K80 Y85 R86 Q87	E67-R83 HydrophobicContact CG-CG 4.3Å; E67-R83 WeakPolarHBondContact OE1-CG 3.39Å; E67-R83 IonicContact OE1-CZ 3.74Å; E67-R83 IonicContact OE1-NE 2.83Å; E67-R83 PolarHBondContact OE1-NE 2.94Å; E67-R83 IonicContact OE1-NH2 2.73Å; E71-R83 IonicContact OE1-NH2 3.67Å; E71-R83 PolarHBondContact OE1-NH2 3.42Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.48Å; K80-R83 PolarHBondContact O-N 3.4Å; R83-Y85 VanDerWaalsContact C-N 3.31Å; R83-Y85 PolarHBondContact O-N 3.37Å; R83-R86 PolarHBondContact O-N 2.93Å; R83-Q87 WeakPolarHBondContact O-CB 3.35Å; R83-Q87 PolarHBondContact O-N 3.33Å
84	E	97.6	Very high	95.3	Very high	106 Å²	106	82.3 Å²	82.3	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-41.8	175.8	-72.7	174	178	0	0	111.1	K80 Q87 M88	K80-E84 WeakPolarHBondContact CE-OE1 3.31Å; K80-E84 IonicContact NZ-OE1 3.96Å; K80-E84 WeakPolarHBondContact O-CG 3.44Å; K80-E84 PolarHBondContact O-N 3.24Å; E84-Q87 PolarHBondContact O-N 3.07Å; E84-M88 PolarHBondContact O-N 3.14Å; E84-M88 VanDerWaalsContact O-N 3.12Å
85	Y	97.8	Very high	96.2	Very high	127 Å²	127	84.8 Å²	84.8	50%	0.498	40%	0.404	S	S	.	.	H	α-helix	trans	-69.1	-40.3	177	-165.7	-117.1	0	0	0	112.7	I63 M81 I82 R83 Q87 M88 V89	I63-Y85 HydrophobicContact CD1-CD1 3.42Å; I63-Y85 VanDerWaalsContact CD1-CD1 3.42Å; I63-Y85 HydrophobicContact CD1-CE1 3.37Å; I63-Y85 HydrophobicContact CG1-CD1 3.85Å; I63-Y85 HydrophobicContact CG1-CE1 3.96Å; I63-Y85 HydrophobicContact CG2-CD1 4.31Å; M81-Y85 WeakPolarHBondContact O-CB 3.46Å; M81-Y85 PolarHBondContact O-N 3.48Å; I82-Y85 PolarHBondContact O-N 3.46Å; R83-Y85 VanDerWaalsContact C-N 3.31Å; R83-Y85 PolarHBondContact O-N 3.37Å; Y85-Q87 VanDerWaalsContact C-N 3.31Å; Y85-Q87 PolarHBondContact O-N 3.4Å; Y85-M88 HydrophobicContact CD2-CE 4.05Å; Y85-M88 HydrophobicContact CD2-SD 4.24Å; Y85-M88 HydrophobicContact CE2-CE 4.39Å; Y85-M88 HydrophobicContact CE2-SD 4.13Å; Y85-M88 WeakPolarHBondContact O-CB 3.02Å; Y85-M88 PolarHBondContact O-N 3.44Å; Y85-V89 PolarHBondContact O-N 3.37Å
86	R	97.7	Very high	96.8	Very high	57 Å²	57	84.7 Å²	84.7	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-46	172.8	-176.2	177.2	51	81.6	-2.4	111	I63 S64 E67 I82 R83 M88 V89 E90	I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.4Å; S64-R86 WeakPolarHBondContact OG-CD 3.29Å; E67-R86 IonicContact OE1-NH2 3.78Å; E67-R86 WeakPolarHBondContact OE2-CD 3.38Å; E67-R86 IonicContact OE2-CZ 3.8Å; E67-R86 IonicContact OE2-NE 3.74Å; E67-R86 PolarHBondContact OE2-NE 3.19Å; E67-R86 IonicContact OE2-NH2 3.48Å; E67-R86 PolarHBondContact OE2-NH2 3.43Å; I82-R86 PolarHBondContact O-N 3.07Å; R83-R86 PolarHBondContact O-N 2.93Å; R86-M88 VanDerWaalsContact C-N 3.29Å; R86-M88 PolarHBondContact O-N 3.39Å; R86-V89 PolarHBondContact O-N 2.93Å; R86-V89 VanDerWaalsContact O-N 3.15Å; R86-E90 WeakPolarHBondContact CD-OE1 3.35Å; R86-E90 HydrophobicContact CG-CG 4.33Å; R86-E90 WeakPolarHBondContact CG-OE1 3.44Å; R86-E90 IonicContact CZ-OE1 2.66Å; R86-E90 IonicContact NE-OE1 2.82Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.38Å; R86-E90 IonicContact NH1-OE2 3.28Å; R86-E90 PolarHBondContact NH1-OE2 2.84Å; R86-E90 VanDerWaalsContact NH1-OE2 3.08Å; R86-E90 WeakPolarHBondContact O-CG 3.09Å; R86-E90 PolarHBondContact O-N 3.29Å
87	Q	97.8	Very high	97.2	Very high	124 Å²	124	76.9 Å²	76.9	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-34.5	-179.2	-171.8	176	19.7	0	0	112.6	R83 E84 Y85 E90 T91	R83-Q87 WeakPolarHBondContact O-CB 3.35Å; R83-Q87 PolarHBondContact O-N 3.33Å; E84-Q87 PolarHBondContact O-N 3.07Å; Y85-Q87 VanDerWaalsContact C-N 3.31Å; Y85-Q87 PolarHBondContact O-N 3.4Å; Q87-E90 PolarHBondContact O-N 2.92Å; Q87-T91 PolarHBondContact O-N 3.06Å; Q87-T91 PolarHBondContact O-OG1 3.01Å
88	M	98.2	Very high	97.5	Very high	97 Å²	97	72.9 Å²	72.9	48%	0.478	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-50.5	171.8	-175.4	-165.6	-56.6	0	0	110.8	E84 Y85 R86 E90 T91 E92	E84-M88 PolarHBondContact O-N 3.14Å; E84-M88 VanDerWaalsContact O-N 3.12Å; Y85-M88 HydrophobicContact CD2-CE 4.05Å; Y85-M88 HydrophobicContact CD2-SD 4.24Å; Y85-M88 HydrophobicContact CE2-CE 4.39Å; Y85-M88 HydrophobicContact CE2-SD 4.13Å; Y85-M88 WeakPolarHBondContact O-CB 3.02Å; Y85-M88 PolarHBondContact O-N 3.44Å; R86-M88 VanDerWaalsContact C-N 3.29Å; R86-M88 PolarHBondContact O-N 3.39Å; M88-E90 VanDerWaalsContact C-N 3.34Å; M88-E90 PolarHBondContact O-N 2.7Å; M88-T91 WeakPolarHBondContact O-CB 3.2Å; M88-T91 PolarHBondContact O-N 2.98Å; M88-T91 VanDerWaalsContact O-N 3.1Å; M88-E92 PolarHBondContact O-N 3.32Å
89	V	98.2	Very high	97.7	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-38	179	-179.9	0	0	0	0	112	W60 I63 Y85 R86 T91 E92 L93	W60-V89 HydrophobicContact CB-CG1 3.81Å; I63-V89 HydrophobicContact CD1-CB 4.28Å; I63-V89 HydrophobicContact CD1-CG2 3.52Å; Y85-V89 PolarHBondContact O-N 3.37Å; R86-V89 PolarHBondContact O-N 2.93Å; R86-V89 VanDerWaalsContact O-N 3.15Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 2.89Å; V89-E92 PolarHBondContact O-N 2.77Å; V89-L93 HydrophobicContact CG1-CD1 4.27Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 2.85Å
90	E	98.3	Very high	97.9	Very high	28 Å²	28	68 Å²	68	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-35.5	173.6	-73.5	175	176.9	0	0	112.4	W60 R86 Q87 M88 K94 F135	W60-E90 PolarHBondContact NE1-OE1 2.88Å; R86-E90 WeakPolarHBondContact CD-OE1 3.35Å; R86-E90 HydrophobicContact CG-CG 4.33Å; R86-E90 WeakPolarHBondContact CG-OE1 3.44Å; R86-E90 IonicContact CZ-OE1 2.66Å; R86-E90 IonicContact NE-OE1 2.82Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.38Å; R86-E90 IonicContact NH1-OE2 3.28Å; R86-E90 PolarHBondContact NH1-OE2 2.84Å; R86-E90 VanDerWaalsContact NH1-OE2 3.08Å; R86-E90 WeakPolarHBondContact O-CG 3.09Å; R86-E90 PolarHBondContact O-N 3.29Å; Q87-E90 PolarHBondContact O-N 2.92Å; M88-E90 VanDerWaalsContact C-N 3.34Å; M88-E90 PolarHBondContact O-N 2.7Å; E90-K94 VanDerWaalsContact O-CB 3.26Å; E90-K94 WeakPolarHBondContact O-CB 3.39Å; E90-K94 PolarHBondContact O-N 3.43Å; E90-F135 HydrophobicContact CB-CD2 3.85Å; E90-F135 HydrophobicContact CB-CE2 4.15Å; E90-F135 HydrophobicContact CG-CB 4Å; E90-F135 HydrophobicContact CG-CD2 3.79Å; E90-F135 HydrophobicContact CG-CG 4.04Å
91	T	98.3	Very high	98	Very high	78 Å²	78	62.2 Å²	62.2	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-44.9	175.5	-57.4	0	0	0	0	110.6	Q87 M88 V89 K94 L95	Q87-T91 PolarHBondContact O-N 3.06Å; Q87-T91 PolarHBondContact O-OG1 3.01Å; M88-T91 WeakPolarHBondContact O-CB 3.2Å; M88-T91 PolarHBondContact O-N 2.98Å; M88-T91 VanDerWaalsContact O-N 3.1Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 2.89Å; T91-K94 PolarHBondContact O-N 3.05Å; T91-L95 HydrophobicContact CG2-CD1 4.38Å; T91-L95 VanDerWaalsContact O-CG 3.29Å; T91-L95 WeakPolarHBondContact O-CG 3.37Å; T91-L95 PolarHBondContact O-N 2.56Å
92	E	98.2	Very high	98.1	Very high	83 Å²	83	59.7 Å²	59.7	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-47.1	175.2	-67.6	171.8	-174.8	0	0	111.7	R56 M88 V89 K94 L95 I96	R56-E92 HydrophobicContact CG-CB 4.37Å; M88-E92 PolarHBondContact O-N 3.32Å; V89-E92 PolarHBondContact O-N 2.77Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.75Å; E92-L95 PolarHBondContact O-N 3.14Å; E92-I96 WeakPolarHBondContact O-CD1 3.46Å; E92-I96 WeakPolarHBondContact O-CG1 3.27Å; E92-I96 PolarHBondContact O-N 2.97Å
93	L	97.9	Very high	98.2	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-48.3	174.5	-83.5	171.6	0	0	0	111.7	I53 R56 R57 W60 V89 L95 I96 C97 F135	I53-L93 HydrophobicContact CD1-CD2 3.57Å; I53-L93 HydrophobicContact CG1-CD2 4.21Å; R56-L93 HydrophobicContact CB-CD2 3.55Å; R56-L93 HydrophobicContact CB-CG 3.93Å; R57-L93 HydrophobicContact CG-CD2 3.72Å; W60-L93 HydrophobicContact CB-CD1 3.58Å; W60-L93 HydrophobicContact CG-CD1 3.86Å; V89-L93 HydrophobicContact CG1-CD1 4.27Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 2.85Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 2.81Å; L93-I96 PolarHBondContact O-N 3.19Å; L93-C97 PolarHBondContact O-N 3.44Å; L93-C97 PolarHBondContact O-SG 3.41Å; L93-C97 VanDerWaalsContact O-SG 3.34Å; L93-F135 HydrophobicContact CB-CE1 3.84Å; L93-F135 HydrophobicContact CB-CZ 3.92Å; L93-F135 HydrophobicContact CD1-CD1 4.29Å; L93-F135 HydrophobicContact CD1-CE1 4.28Å
94	K	98.4	Very high	98.3	Very high	94 Å²	94	54.3 Å²	54.3	41%	0.409	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-42.5	178.5	-174.8	170.5	-176.6	169	0	111.3	E90 T91 E92 C97 C98 L132 F135 D140	E90-K94 VanDerWaalsContact O-CB 3.26Å; E90-K94 WeakPolarHBondContact O-CB 3.39Å; E90-K94 PolarHBondContact O-N 3.43Å; T91-K94 PolarHBondContact O-N 3.05Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.75Å; K94-C97 PolarHBondContact O-N 2.88Å; K94-C98 WeakPolarHBondContact O-CB 3.22Å; K94-C98 PolarHBondContact O-N 2.96Å; K94-C98 PolarHBondContact O-SG 3.22Å; K94-L132 HydrophobicContact CB-CD2 4.28Å; K94-L132 HydrophobicContact CG-CD2 3.99Å; K94-F135 HydrophobicContact CB-CE2 4.14Å; K94-F135 HydrophobicContact CB-CZ 4.02Å; K94-D140 IonicContact NZ-OD2 3.45Å
95	L	98.5	Very high	98.3	Very high	117 Å²	117	52.6 Å²	52.6	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-62.6	-45.3	177.4	-71.7	171.7	0	0	0	111.7	T91 E92 L93 C98 D99	T91-L95 HydrophobicContact CG2-CD1 4.38Å; T91-L95 VanDerWaalsContact O-CG 3.29Å; T91-L95 WeakPolarHBondContact O-CG 3.37Å; T91-L95 PolarHBondContact O-N 2.56Å; E92-L95 PolarHBondContact O-N 3.14Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 2.81Å; L95-C98 PolarHBondContact O-N 2.8Å; L95-D99 VanDerWaalsContact O-CB 3.29Å; L95-D99 WeakPolarHBondContact O-CB 3.44Å; L95-D99 PolarHBondContact O-N 3.34Å
96	I	98.3	Very high	98.4	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-46.6	177.6	-62	156.6	0	0	0	110.5	Y49 V52 I53 R56 E92 L93 D99 I100	Y49-I96 HydrophobicContact CD1-CG2 4.26Å; V52-I96 HydrophobicContact CG1-CD1 3.73Å; V52-I96 HydrophobicContact CG1-CG1 3.91Å; V52-I96 HydrophobicContact CG1-CG2 4.07Å; I53-I96 HydrophobicContact CB-CG2 4.11Å; I53-I96 HydrophobicContact CD1-CB 3.78Å; I53-I96 HydrophobicContact CD1-CD1 4.36Å; I53-I96 HydrophobicContact CD1-CG2 3.56Å; I53-I96 HydrophobicContact CG1-CG2 4.4Å; R56-I96 HydrophobicContact CB-CD1 4.13Å; R56-I96 HydrophobicContact CG-CD1 3.85Å; E92-I96 WeakPolarHBondContact O-CD1 3.46Å; E92-I96 WeakPolarHBondContact O-CG1 3.27Å; E92-I96 PolarHBondContact O-N 2.97Å; L93-I96 PolarHBondContact O-N 3.19Å; I96-D99 WeakPolarHBondContact O-CB 3.38Å; I96-D99 PolarHBondContact O-N 3.29Å; I96-I100 PolarHBondContact O-N 3.38Å
97	C	98.5	Very high	98.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-49	177.8	-68.3	0	0	0	0	112	L93 K94 D99 I100 L101 Y128 L132	L93-C97 PolarHBondContact O-N 3.44Å; L93-C97 PolarHBondContact O-SG 3.41Å; L93-C97 VanDerWaalsContact O-SG 3.34Å; K94-C97 PolarHBondContact O-N 2.88Å; C97-D99 PolarHBondContact O-N 3.16Å; C97-I100 VanDerWaalsContact O-CG2 3.3Å; C97-I100 WeakPolarHBondContact O-CG2 3.23Å; C97-I100 PolarHBondContact O-N 3.45Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 WeakPolarHBondContact O-CD1 3.41Å; C97-L101 WeakPolarHBondContact O-CG 3.36Å; C97-L101 PolarHBondContact O-N 3.3Å; C97-Y128 HydrophobicContact CB-CD1 4.21Å; C97-L132 HydrophobicContact CB-CD1 4.06Å; C97-L132 HydrophobicContact CB-CD2 3.58Å; C97-L132 HydrophobicContact CB-CG 3.63Å
98	C	98.4	Very high	98.4	Very high	53 Å²	53	46.1 Å²	46.1	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-36.3	178.1	-72.8	0	0	0	0	111.7	K94 L95 D102	K94-C98 WeakPolarHBondContact O-CB 3.22Å; K94-C98 PolarHBondContact O-N 2.96Å; K94-C98 PolarHBondContact O-SG 3.22Å; L95-C98 PolarHBondContact O-N 2.8Å; C98-D102 WeakPolarHBondContact O-CB 3.48Å; C98-D102 PolarHBondContact O-N 3.06Å
99	D	98.5	Very high	98.5	Very high	48 Å²	48	42.8 Å²	42.8	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-51	-179.6	-168.4	53.1	0	0	0	112.9	K28 Y49 L95 I96 C97 D102 V103	K28-D99 WeakPolarHBondContact CD-OD2 3.46Å; K28-D99 WeakPolarHBondContact CE-OD1 3.5Å; K28-D99 WeakPolarHBondContact CE-OD2 3.35Å; K28-D99 IonicContact NZ-OD1 3.78Å; K28-D99 PolarHBondContact NZ-OD1 2.99Å; K28-D99 IonicContact NZ-OD2 3.58Å; K28-D99 PolarHBondContact NZ-OD2 3.48Å; Y49-D99 PolarHBondContact OH-OD2 2.89Å; L95-D99 VanDerWaalsContact O-CB 3.29Å; L95-D99 WeakPolarHBondContact O-CB 3.44Å; L95-D99 PolarHBondContact O-N 3.34Å; I96-D99 WeakPolarHBondContact O-CB 3.38Å; I96-D99 PolarHBondContact O-N 3.29Å; C97-D99 PolarHBondContact O-N 3.16Å; D99-D102 PolarHBondContact O-N 3.42Å; D99-V103 VanDerWaalsContact O-CG2 3.29Å; D99-V103 WeakPolarHBondContact O-CG2 3.48Å; D99-V103 PolarHBondContact O-N 3.37Å; D99-V103 VanDerWaalsContact O-N 3.12Å
100	I	98.5	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-36.6	177	-177.9	55.6	0	0	0	112.1	L45 Y49 I96 C97 D102 V103 L104 M124 Y128	L45-I100 HydrophobicContact CD2-CD1 4.48Å; Y49-I100 HydrophobicContact CD1-CB 3.8Å; Y49-I100 HydrophobicContact CD1-CG1 4.39Å; Y49-I100 HydrophobicContact CD1-CG2 4.4Å; Y49-I100 HydrophobicContact CD2-CB 4.47Å; Y49-I100 HydrophobicContact CD2-CD1 3.77Å; Y49-I100 HydrophobicContact CD2-CG1 4.33Å; Y49-I100 HydrophobicContact CE1-CB 3.63Å; Y49-I100 HydrophobicContact CE1-CG1 4.49Å; Y49-I100 HydrophobicContact CE1-CG2 4.47Å; Y49-I100 HydrophobicContact CE2-CB 4.31Å; Y49-I100 HydrophobicContact CE2-CD1 3.68Å; Y49-I100 HydrophobicContact CE2-CG1 4.42Å; Y49-I100 HydrophobicContact CG-CB 4.2Å; Y49-I100 HydrophobicContact CG-CD1 4.23Å; Y49-I100 HydrophobicContact CG-CG1 4.29Å; I96-I100 PolarHBondContact O-N 3.38Å; C97-I100 VanDerWaalsContact O-CG2 3.3Å; C97-I100 WeakPolarHBondContact O-CG2 3.23Å; C97-I100 PolarHBondContact O-N 3.45Å; I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 3Å; I100-V103 HydrophobicContact CD1-CB 4.44Å; I100-V103 PolarHBondContact O-N 3.09Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.03Å; I100-L104 HydrophobicContact CG1-CD1 3.87Å; I100-L104 HydrophobicContact CG1-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 VanDerWaalsContact O-CG 3.23Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 3.37Å; I100-M124 HydrophobicContact CD1-SD 3.98Å; I100-M124 HydrophobicContact CG1-SD 4.04Å; I100-Y128 HydrophobicContact CG1-CD2 4.24Å; I100-Y128 HydrophobicContact CG1-CE2 4.15Å; I100-Y128 HydrophobicContact CG2-CD1 3.3Å; I100-Y128 HydrophobicContact CG2-CD2 3.63Å; I100-Y128 HydrophobicContact CG2-CE1 3.55Å; I100-Y128 HydrophobicContact CG2-CE2 3.91Å; I100-Y128 HydrophobicContact CG2-CG 3.34Å
101	L	98.8	Very high	98.5	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-41.6	176.1	-71.6	170.4	0	0	0	111	C97 L104 D105 K125 L132	C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 WeakPolarHBondContact O-CD1 3.41Å; C97-L101 WeakPolarHBondContact O-CG 3.36Å; C97-L101 PolarHBondContact O-N 3.3Å; L101-L104 PolarHBondContact O-N 2.98Å; L101-D105 WeakPolarHBondContact O-CB 3.47Å; L101-D105 PolarHBondContact O-N 3.21Å; L101-K125 HydrophobicContact CD2-CB 4.41Å; L101-K125 HydrophobicContact CD2-CG 3.78Å; L101-L132 HydrophobicContact CD1-CD1 3.7Å
102	D	98.7	Very high	98.4	Very high	78 Å²	78	42.8 Å²	42.8	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-43.4	174.3	-94.7	18.9	0	0	0	112.1	C98 D99 I100 K106	C98-D102 WeakPolarHBondContact O-CB 3.48Å; C98-D102 PolarHBondContact O-N 3.06Å; D99-D102 PolarHBondContact O-N 3.42Å; I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 3Å; D102-K106 VanDerWaalsContact O-CB 3.22Å; D102-K106 WeakPolarHBondContact O-CB 3.35Å; D102-K106 VanDerWaalsContact O-CG 3.26Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.1Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 2.95Å
103	V	98.7	Very high	98.4	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-41.6	178.1	174.7	0	0	0	0	111.1	K28 A31 D99 I100 H107 L108	K28-V103 HydrophobicContact CD-CG2 4.5Å; K28-V103 HydrophobicContact CG-CG2 4Å; A31-V103 HydrophobicContact CB-CG1 3.64Å; D99-V103 VanDerWaalsContact O-CG2 3.29Å; D99-V103 WeakPolarHBondContact O-CG2 3.48Å; D99-V103 PolarHBondContact O-N 3.37Å; D99-V103 VanDerWaalsContact O-N 3.12Å; I100-V103 HydrophobicContact CD1-CB 4.44Å; I100-V103 PolarHBondContact O-N 3.09Å; V103-H107 WeakPolarHBondContact O-CB 3.45Å; V103-H107 PolarHBondContact O-N 3.41Å; V103-H107 VanDerWaalsContact O-N 3.07Å; V103-L108 HydrophobicContact CG1-CD1 3.77Å; V103-L108 HydrophobicContact CG1-CG 4.08Å; V103-L108 PolarHBondContact O-N 3.28Å
104	L	98.8	Very high	98.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-60.9	-49.9	176.6	-73.7	165.6	0	0	0	111.1	I100 L101 L108 I109 Y121 M124 K125	I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.03Å; I100-L104 HydrophobicContact CG1-CD1 3.87Å; I100-L104 HydrophobicContact CG1-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 VanDerWaalsContact O-CG 3.23Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CD2-CB 4.35Å; L104-L108 HydrophobicContact CD2-CD1 3.89Å; L104-L108 HydrophobicContact CG-CD1 4.46Å; L104-L108 PolarHBondContact O-N 3.06Å; L104-I109 HydrophobicContact CB-CD1 4.2Å; L104-I109 HydrophobicContact CB-CG1 4.5Å; L104-I109 WeakPolarHBondContact O-CB 3.44Å; L104-I109 WeakPolarHBondContact O-CG1 3.23Å; L104-I109 PolarHBondContact O-N 3.49Å; L104-Y121 HydrophobicContact CD2-CD1 3.75Å; L104-Y121 HydrophobicContact CD2-CG 4.04Å; L104-M124 HydrophobicContact CD1-CB 4.3Å; L104-M124 HydrophobicContact CD1-CG 4.06Å; L104-M124 HydrophobicContact CD1-SD 4.41Å; L104-M124 HydrophobicContact CD2-CB 4.48Å; L104-M124 HydrophobicContact CD2-SD 4.19Å; L104-K125 HydrophobicContact CD1-CB 4.05Å
105	D	98.7	Very high	98.3	Very high	71 Å²	71	43 Å²	43	38%	0.38	24%	0.236	S	C	.	.	I	π-helix	trans	-74.4	-36.3	-174.1	-77.2	-14.8	0	0	0	113.3	L101 P110 K125	L101-D105 WeakPolarHBondContact O-CB 3.47Å; L101-D105 PolarHBondContact O-N 3.21Å; D105-P110 WeakPolarHBondContact O-CD 3.39Å; D105-P110 WeakPolarHBondContact O-CG 3.28Å; D105-K125 WeakPolarHBondContact OD1-CE 3.3Å; D105-K125 IonicContact OD1-NZ 2.81Å; D105-K125 PolarHBondContact OD1-NZ 2.93Å; D105-K125 IonicContact OD2-NZ 2.7Å; D105-K125 PolarHBondContact OD2-NZ 3.02Å
106	K	98.5	Very high	98.2	Very high	119 Å²	119	40.1 Å²	40.1	52%	0.517	22%	0.22	S	C	.	.	I	π-helix	trans	-82.9	-33.7	-177	-68	169.6	-177.3	162.8	0	113.1	D102	D102-K106 VanDerWaalsContact O-CB 3.22Å; D102-K106 WeakPolarHBondContact O-CB 3.35Å; D102-K106 VanDerWaalsContact O-CG 3.26Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.1Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 2.95Å
107	H	98.6	Very high	98.2	Very high	49 Å²	49	39.1 Å²	39.1	23%	0.227	22%	0.215	C	C	.	.	I	π-helix	trans	-126.3	-55.3	-165.6	-56.3	-61.8	0	0	0	113.2	A31 D34 V103 A111	A31-H107 HydrophobicContact CB-CB 4.49Å; A31-H107 WeakPolarHBondContact O-CB 3.3Å; D34-H107 IonicContact OD1-CE1 3.57Å; D34-H107 IonicContact OD1-CG 3.33Å; D34-H107 IonicContact OD1-ND1 2.57Å; D34-H107 PolarHBondContact OD1-ND1 3.29Å; D34-H107 IonicContact OD2-ND1 3.98Å; V103-H107 WeakPolarHBondContact O-CB 3.45Å; V103-H107 PolarHBondContact O-N 3.41Å; V103-H107 VanDerWaalsContact O-N 3.07Å; H107-A111 WeakPolarHBondContact O-CB 3.29Å; H107-A111 PolarHBondContact O-N 3.29Å; H107-A111 VanDerWaalsContact O-N 3.11Å
108	L	98.6	Very high	98.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.	I	π-helix	trans	-78.2	-46.5	-166	-59.6	171.9	0	0	0	113.8	A31 L37 L45 V103 L104 A111 A112 Y121	A31-L108 HydrophobicContact CB-CD2 3.68Å; A31-L108 HydrophobicContact CB-CG 4.17Å; L37-L108 HydrophobicContact CD1-CD2 3.58Å; L37-L108 HydrophobicContact CG-CD2 3.84Å; L45-L108 HydrophobicContact CD2-CD1 3.31Å; L45-L108 HydrophobicContact CD2-CD2 4.47Å; V103-L108 HydrophobicContact CG1-CD1 3.77Å; V103-L108 HydrophobicContact CG1-CG 4.08Å; V103-L108 PolarHBondContact O-N 3.28Å; L104-L108 HydrophobicContact CD2-CB 4.35Å; L104-L108 HydrophobicContact CD2-CD1 3.89Å; L104-L108 HydrophobicContact CG-CD1 4.46Å; L104-L108 PolarHBondContact O-N 3.06Å; L108-A111 PolarHBondContact O-N 3.35Å; L108-A112 WeakPolarHBondContact O-CB 3.3Å; L108-A112 PolarHBondContact O-N 3.31Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-Y121 HydrophobicContact CB-CD1 4.05Å; L108-Y121 HydrophobicContact CB-CD2 3.99Å; L108-Y121 HydrophobicContact CB-CE1 4.02Å; L108-Y121 HydrophobicContact CB-CE2 3.95Å; L108-Y121 HydrophobicContact CB-CG 4.07Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 4Å; L108-Y121 HydrophobicContact CD2-CE1 4.4Å; L108-Y121 HydrophobicContact CG-CE1 4.38Å
109	I	98.5	Very high	98.2	Very high	26 Å²	26	39.7 Å²	39.7	13%	0.133	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-45.4	177.2	-66.6	171.1	0	0	0	110.6	L104 A111 A112 Y122 K125	L104-I109 HydrophobicContact CB-CD1 4.2Å; L104-I109 HydrophobicContact CB-CG1 4.5Å; L104-I109 WeakPolarHBondContact O-CB 3.44Å; L104-I109 WeakPolarHBondContact O-CG1 3.23Å; L104-I109 PolarHBondContact O-N 3.49Å; I109-A111 VanDerWaalsContact C-N 3.32Å; I109-A111 PolarHBondContact O-N 3.07Å; I109-A112 PolarHBondContact O-N 2.67Å; I109-Y122 HydrophobicContact CD1-CD1 4.24Å; I109-Y122 HydrophobicContact CD1-CE1 4.11Å; I109-Y122 HydrophobicContact CG2-CE1 4.41Å; I109-Y122 HydrophobicContact CG2-CE2 4.07Å; I109-K125 HydrophobicContact CD1-CD 4.06Å
110	P	98.4	Very high	98.2	Very high	90 Å²	90	38.7 Å²	38.7	58%	0.584	21%	0.205	S	C	*	.	H	α-helix	trans	-60.4	-35.3	174.4	-27.1	36.7	0	0	0	114.6	D105	D105-P110 WeakPolarHBondContact O-CD 3.39Å; D105-P110 WeakPolarHBondContact O-CG 3.28Å
111	A	98	Very high	98.2	Very high	14 Å²	14	38.8 Å²	38.8	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-85.4	-8.6	-178.6	0	0	0	0	0	114.4	E36 H107 L108 I109 N113	E36-A111 WeakPolarHBondContact CB-O 3.42Å; H107-A111 WeakPolarHBondContact O-CB 3.29Å; H107-A111 PolarHBondContact O-N 3.29Å; H107-A111 VanDerWaalsContact O-N 3.11Å; L108-A111 PolarHBondContact O-N 3.35Å; I109-A111 VanDerWaalsContact C-N 3.32Å; I109-A111 PolarHBondContact O-N 3.07Å; A111-N113 PolarHBondContact O-N 3.09Å; A111-N113 PolarHBondContact O-ND2 2.8Å
112	A	97.9	Very high	98.2	Very high	6 Å²	6	41.5 Å²	41.5	5%	0.05	22%	0.215	C	C	.	.			trans	-75.4	114.1	-176.6	0	0	0	0	0	112.3	L108 I109 K118 Y121	L108-A112 WeakPolarHBondContact O-CB 3.3Å; L108-A112 PolarHBondContact O-N 3.31Å; L108-A112 VanDerWaalsContact O-N 3.08Å; I109-A112 PolarHBondContact O-N 2.67Å; A112-K118 HydrophobicContact CB-CG 3.8Å; A112-K118 WeakPolarHBondContact O-CE 3.23Å; A112-Y121 HydrophobicContact CB-CD2 3.83Å; A112-Y121 HydrophobicContact CB-CE2 3.91Å
113	N	96.7	Very high	98.2	Very high	115 Å²	115	38.9 Å²	38.9	62%	0.615	20%	0.2	S	C	*	.			trans	-99	-26.1	-178.9	-54.8	-65.4	0	0	0	112.7	E36 A111	E36-N113 PolarHBondContact OE1-N 2.83Å; E36-N113 VanDerWaalsContact OE2-CB 3.26Å; E36-N113 WeakPolarHBondContact OE2-CB 3.4Å; E36-N113 PolarHBondContact OE2-ND2 3.29Å; A111-N113 PolarHBondContact O-N 3.09Å; A111-N113 PolarHBondContact O-ND2 2.8Å
114	T	97.2	Very high	98.2	Very high	65 Å²	65	39.1 Å²	39.1	40%	0.399	20%	0.201	S	C	.	.	S	Bend	trans	-93.1	151.2	179.6	66.1	0	0	0	0	112.9	E36 E116 S117 K118	E36-T114 PolarHBondContact OE1-N 3.17Å; E36-T114 PolarHBondContact OE1-OG1 3.28Å; T114-E116 PolarHBondContact O-N 2.57Å; T114-S117 PolarHBondContact O-N 3.29Å; T114-S117 WeakPolarHBondContact OG1-CB 3.09Å; T114-S117 PolarHBondContact OG1-N 2.95Å; T114-S117 VanDerWaalsContact OG1-N 3.15Å; T114-S117 PolarHBondContact OG1-OG 2.89Å; T114-K118 WeakPolarHBondContact O-CG 3.38Å; T114-K118 PolarHBondContact O-N 3.32Å
115	G	97.2	Very high	98.2	Very high	4 Å²	4	40.9 Å²	40.9	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-40.8	170.7	0	0	0	0	0	112.6	K118 V119 E162	G115-K118 PolarHBondContact O-N 3.14Å; G115-V119 WeakPolarHBondContact O-CB 3.3Å; G115-V119 WeakPolarHBondContact O-CG2 3.35Å; G115-V119 PolarHBondContact O-N 3.21Å; G115-E162 WeakPolarHBondContact CA-OE2 2.87Å; G115-E162 PolarHBondContact N-OE2 3.33Å; G115-E162 VanDerWaalsContact N-OE2 3.07Å
116	E	97.1	Very high	98.2	Very high	56 Å²	56	37.5 Å²	37.5	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-56.6	-53.1	176.9	-165.4	-173.2	115.1	0	0	111.9	R42 T114 K118 V119 F120 L163 H167 I169	R42-E116 IonicContact CZ-OE1 3.87Å; R42-E116 VanDerWaalsContact CZ-OE1 3.22Å; R42-E116 IonicContact NH1-OE1 2.8Å; R42-E116 PolarHBondContact NH1-OE1 2.94Å; R42-E116 IonicContact NH2-OE1 3.83Å; R42-E116 PolarHBondContact NH2-OE1 3.37Å; T114-E116 PolarHBondContact O-N 2.57Å; E116-K118 PolarHBondContact O-N 3.37Å; E116-V119 PolarHBondContact O-N 3.15Å; E116-F120 WeakPolarHBondContact O-CB 3.46Å; E116-F120 PolarHBondContact O-N 3.39Å; E116-L163 HydrophobicContact CB-CD2 4.27Å; E116-H167 IonicContact OE2-CE1 2.73Å; E116-H167 IonicContact OE2-NE2 2.63Å; E116-I169 HydrophobicContact CG-CD1 3.42Å; E116-I169 VanDerWaalsContact CG-CD1 3.42Å
117	S	98	Very high	98.2	Very high	4 Å²	4	32 Å²	32	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-44.5	177.1	-68.7	0	0	0	0	111.8	E36 T114 F120 Y121	E36-S117 PolarHBondContact OE1-OG 3.08Å; T114-S117 PolarHBondContact O-N 3.29Å; T114-S117 WeakPolarHBondContact OG1-CB 3.09Å; T114-S117 PolarHBondContact OG1-N 2.95Å; T114-S117 VanDerWaalsContact OG1-N 3.15Å; T114-S117 PolarHBondContact OG1-OG 2.89Å; S117-F120 WeakPolarHBondContact O-CB 3.07Å; S117-F120 PolarHBondContact O-N 3.36Å; S117-Y121 WeakPolarHBondContact O-CD2 3.18Å; S117-Y121 VanDerWaalsContact O-CG 3.32Å; S117-Y121 PolarHBondContact O-N 2.93Å
118	K	98.5	Very high	98.2	Very high	65 Å²	65	29.8 Å²	29.8	28%	0.283	16%	0.156	S	C	.	.	H	α-helix	trans	-62.6	-49.3	179.7	-70.4	171.3	-172.1	167.4	0	111.7	A112 T114 G115 E116 F120 Y121 Y122 I158	A112-K118 HydrophobicContact CB-CG 3.8Å; A112-K118 WeakPolarHBondContact O-CE 3.23Å; T114-K118 WeakPolarHBondContact O-CG 3.38Å; T114-K118 PolarHBondContact O-N 3.32Å; G115-K118 PolarHBondContact O-N 3.14Å; E116-K118 PolarHBondContact O-N 3.37Å; K118-F120 VanDerWaalsContact C-N 3.28Å; K118-F120 PolarHBondContact O-N 2.88Å; K118-Y121 PolarHBondContact O-N 3.01Å; K118-Y122 HydrophobicContact CB-CD2 4.47Å; K118-Y122 WeakPolarHBondContact O-CB 3.3Å; K118-Y122 VanDerWaalsContact O-CD2 3.24Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.41Å; K118-I158 HydrophobicContact CB-CD1 3.92Å; K118-I158 HydrophobicContact CB-CG2 4.47Å; K118-I158 HydrophobicContact CD-CD1 4.33Å
119	V	98.6	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-43.2	178.6	178.1	0	0	0	0	110	G115 E116 K123 A155 I158 A159 L163 I169 L173	G115-V119 WeakPolarHBondContact O-CB 3.3Å; G115-V119 WeakPolarHBondContact O-CG2 3.35Å; G115-V119 PolarHBondContact O-N 3.21Å; E116-V119 PolarHBondContact O-N 3.15Å; V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 PolarHBondContact O-N 3.49Å; V119-A155 HydrophobicContact CG1-CB 4.4Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.6Å; V119-A159 HydrophobicContact CG1-CB 3.85Å; V119-A159 HydrophobicContact CG2-CB 3.81Å; V119-L163 HydrophobicContact CB-CD1 3.98Å; V119-L163 HydrophobicContact CG1-CD1 3.99Å; V119-L163 HydrophobicContact CG2-CD1 3.89Å; V119-L163 HydrophobicContact CG2-CG 4.49Å; V119-I169 HydrophobicContact CB-CG2 4.15Å; V119-I169 HydrophobicContact CG1-CG2 3.63Å; V119-L173 HydrophobicContact CG1-CD2 4.03Å
120	F	98.3	Very high	98.2	Very high	28 Å²	28	29.4 Å²	29.4	12%	0.123	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-50.8	177.6	-170.3	-84.6	0	0	0	112.2	R42 E116 S117 K118 K123 M124 I169	R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.48Å; R42-F120 HydrophobicContact CG-CE1 3.43Å; R42-F120 VanDerWaalsContact CG-CE1 3.43Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.14Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; E116-F120 WeakPolarHBondContact O-CB 3.46Å; E116-F120 PolarHBondContact O-N 3.39Å; S117-F120 WeakPolarHBondContact O-CB 3.07Å; S117-F120 PolarHBondContact O-N 3.36Å; K118-F120 VanDerWaalsContact C-N 3.28Å; K118-F120 PolarHBondContact O-N 2.88Å; F120-K123 PolarHBondContact O-N 3.38Å; F120-M124 HydrophobicContact CE1-CE 3.7Å; F120-M124 HydrophobicContact CZ-CE 4.17Å; F120-M124 WeakPolarHBondContact O-CB 3.4Å; F120-M124 PolarHBondContact O-N 2.87Å; F120-I169 HydrophobicContact CB-CD1 4.36Å; F120-I169 HydrophobicContact CB-CG2 4.47Å; F120-I169 HydrophobicContact CD2-CD1 3.88Å; F120-I169 HydrophobicContact CD2-CG1 4.25Å
121	Y	98.7	Very high	98.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-71.5	-38.8	-177.4	-61.7	-41.5	0	0	0	113.1	R42 L104 L108 A112 S117 K118 M124 K125	R42-Y121 HydrophobicContact CG-CE1 3.97Å; L104-Y121 HydrophobicContact CD2-CD1 3.75Å; L104-Y121 HydrophobicContact CD2-CG 4.04Å; L108-Y121 HydrophobicContact CB-CD1 4.05Å; L108-Y121 HydrophobicContact CB-CD2 3.99Å; L108-Y121 HydrophobicContact CB-CE1 4.02Å; L108-Y121 HydrophobicContact CB-CE2 3.95Å; L108-Y121 HydrophobicContact CB-CG 4.07Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 4Å; L108-Y121 HydrophobicContact CD2-CE1 4.4Å; L108-Y121 HydrophobicContact CG-CE1 4.38Å; A112-Y121 HydrophobicContact CB-CD2 3.83Å; A112-Y121 HydrophobicContact CB-CE2 3.91Å; S117-Y121 WeakPolarHBondContact O-CD2 3.18Å; S117-Y121 VanDerWaalsContact O-CG 3.32Å; S117-Y121 PolarHBondContact O-N 2.93Å; K118-Y121 PolarHBondContact O-N 3.01Å; Y121-M124 PolarHBondContact O-N 2.83Å; Y121-K125 WeakPolarHBondContact O-CB 3.31Å; Y121-K125 PolarHBondContact O-N 3.19Å
122	Y	98.8	Very high	98.2	Very high	67 Å²	67	25.5 Å²	25.5	26%	0.263	13%	0.126	S	C	.	.	H	α-helix	trans	-68.6	-37	174.5	-81.1	-67.4	0	0	0	112.3	I109 K118 K125 G126 A154 I158	I109-Y122 HydrophobicContact CD1-CD1 4.24Å; I109-Y122 HydrophobicContact CD1-CE1 4.11Å; I109-Y122 HydrophobicContact CG2-CE1 4.41Å; I109-Y122 HydrophobicContact CG2-CE2 4.07Å; K118-Y122 HydrophobicContact CB-CD2 4.47Å; K118-Y122 WeakPolarHBondContact O-CB 3.3Å; K118-Y122 VanDerWaalsContact O-CD2 3.24Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.41Å; Y122-K125 PolarHBondContact O-N 3.46Å; Y122-G126 PolarHBondContact O-N 3.46Å; Y122-A154 HydrophobicContact CD1-CB 3.93Å; Y122-A154 HydrophobicContact CE1-CB 4.11Å; Y122-A154 HydrophobicContact CG-CB 4.16Å; Y122-I158 HydrophobicContact CD2-CD1 4.13Å; Y122-I158 HydrophobicContact CE2-CD1 4.2Å
123	K	98.5	Very high	98.2	Very high	24 Å²	24	25.2 Å²	25.2	10%	0.104	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-51.6	170.8	178.6	-168.3	174.6	-68	0	110	V119 F120 K125 G126 D127 G172 L173 N176	V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 PolarHBondContact O-N 3.49Å; F120-K123 PolarHBondContact O-N 3.38Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.96Å; K123-G126 WeakPolarHBondContact O-CA 3.48Å; K123-G126 PolarHBondContact O-N 3.33Å; K123-D127 IonicContact NZ-OD2 2.84Å; K123-D127 PolarHBondContact NZ-OD2 3.36Å; K123-D127 VanDerWaalsContact O-CG 3.29Å; K123-D127 PolarHBondContact O-N 3.45Å; K123-G172 WeakPolarHBondContact CE-O 3.42Å; K123-L173 HydrophobicContact CB-CD1 4.07Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 4.03Å; K123-N176 PolarHBondContact NZ-ND2 3.37Å
124	M	98.4	Very high	98.2	Very high	12 Å²	12	21 Å²	21	6%	0.059	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-43.9	178.5	-172	176.4	-88	0	0	111.2	S46 I100 L104 F120 Y121 G126 D127 Y128	S46-M124 WeakPolarHBondContact OG-CE 3.43Å; I100-M124 HydrophobicContact CD1-SD 3.98Å; I100-M124 HydrophobicContact CG1-SD 4.04Å; L104-M124 HydrophobicContact CD1-CB 4.3Å; L104-M124 HydrophobicContact CD1-CG 4.06Å; L104-M124 HydrophobicContact CD1-SD 4.41Å; L104-M124 HydrophobicContact CD2-CB 4.48Å; L104-M124 HydrophobicContact CD2-SD 4.19Å; F120-M124 HydrophobicContact CE1-CE 3.7Å; F120-M124 HydrophobicContact CZ-CE 4.17Å; F120-M124 WeakPolarHBondContact O-CB 3.4Å; F120-M124 PolarHBondContact O-N 2.87Å; Y121-M124 PolarHBondContact O-N 2.83Å; M124-G126 VanDerWaalsContact C-N 3.3Å; M124-G126 PolarHBondContact O-N 3.12Å; M124-D127 WeakPolarHBondContact O-CB 3.45Å; M124-D127 PolarHBondContact O-N 3.4Å; M124-D127 VanDerWaalsContact O-N 3.15Å; M124-Y128 HydrophobicContact CG-CD2 3.76Å; M124-Y128 HydrophobicContact CG-CE2 3.68Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.42Å; M124-Y128 PolarHBondContact O-N 3.07Å; M124-Y128 HydrophobicContact SD-CE2 4.42Å
125	K	98.8	Very high	98.1	Very high	37 Å²	37	19.1 Å²	19.1	16%	0.161	9%	0.086	C	C	.	.	H	α-helix	trans	-57.2	-43.7	173.5	-177.7	167.7	-177.8	166	0	112.1	L101 L104 D105 I109 Y121 Y122 K123 H129 A151	L101-K125 HydrophobicContact CD2-CB 4.41Å; L101-K125 HydrophobicContact CD2-CG 3.78Å; L104-K125 HydrophobicContact CD1-CB 4.05Å; D105-K125 WeakPolarHBondContact OD1-CE 3.3Å; D105-K125 IonicContact OD1-NZ 2.81Å; D105-K125 PolarHBondContact OD1-NZ 2.93Å; D105-K125 IonicContact OD2-NZ 2.7Å; D105-K125 PolarHBondContact OD2-NZ 3.02Å; I109-K125 HydrophobicContact CD1-CD 4.06Å; Y121-K125 WeakPolarHBondContact O-CB 3.31Å; Y121-K125 PolarHBondContact O-N 3.19Å; Y122-K125 PolarHBondContact O-N 3.46Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.96Å; K125-H129 PolarHBondContact O-CD2 2.76Å; K125-H129 VanDerWaalsContact O-CD2 3.25Å; K125-H129 PolarHBondContact O-N 3.44Å; K125-H129 VanDerWaalsContact O-N 3.11Å; K125-A151 HydrophobicContact CB-CB 4.02Å; K125-A151 HydrophobicContact CD-CB 4.28Å; K125-A151 HydrophobicContact CG-CB 3.83Å
126	G	98.8	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.7	0	0	0	0	0	112.7	Y122 K123 M124 R130 S148 Y152	Y122-G126 PolarHBondContact O-N 3.46Å; K123-G126 WeakPolarHBondContact O-CA 3.48Å; K123-G126 PolarHBondContact O-N 3.33Å; M124-G126 VanDerWaalsContact C-N 3.3Å; M124-G126 PolarHBondContact O-N 3.12Å; G126-R130 WeakPolarHBondContact O-CB 3.41Å; G126-R130 PolarHBondContact O-N 2.81Å; G126-S148 PolarHBondContact O-OG 3.5Å; G126-Y152 VanDerWaalsContact C-CZ 3.43Å
127	D	98.4	Very high	98.1	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-51.2	178.1	-68.1	-31.7	0	0	0	111.9	K123 M124 H129 R130 Y131 Y152 N176	K123-D127 IonicContact NZ-OD2 2.84Å; K123-D127 PolarHBondContact NZ-OD2 3.36Å; K123-D127 VanDerWaalsContact O-CG 3.29Å; K123-D127 PolarHBondContact O-N 3.45Å; M124-D127 WeakPolarHBondContact O-CB 3.45Å; M124-D127 PolarHBondContact O-N 3.4Å; M124-D127 VanDerWaalsContact O-N 3.15Å; D127-H129 PolarHBondContact O-N 3.11Å; D127-R130 WeakPolarHBondContact O-CA 3.35Å; D127-R130 VanDerWaalsContact O-CB 3.3Å; D127-R130 WeakPolarHBondContact O-CB 3.36Å; D127-R130 PolarHBondContact O-N 2.63Å; D127-R130 IonicContact OD1-NH2 3.4Å; D127-Y131 HydrophobicContact CB-CE2 4.11Å; D127-Y131 WeakPolarHBondContact O-CD1 3.46Å; D127-Y131 WeakPolarHBondContact O-CD2 3.33Å; D127-Y131 VanDerWaalsContact O-CG 3.26Å; D127-Y131 PolarHBondContact O-N 3.46Å; D127-Y152 WeakPolarHBondContact CA-OH 3.13Å; D127-Y152 PolarHBondContact N-OH 3Å; D127-Y152 PolarHBondContact OD1-OH 3.41Å; D127-N176 VanDerWaalsContact OD1-CB 3.23Å; D127-N176 WeakPolarHBondContact OD1-CB 3.42Å; D127-N176 PolarHBondContact OD1-ND2 2.99Å; D127-N176 PolarHBondContact OD2-ND2 3.15Å
128	Y	98.5	Very high	98	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-70.1	-32.2	-178.4	-79.1	-84.6	0	0	0	113.6	Y49 I53 C97 I100 M124 Y131 L132	Y49-Y128 VanDerWaalsContact CB-OH 3.32Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.35Å; Y49-Y128 PolarHBondContact O-OH 2.89Å; I53-Y128 HydrophobicContact CB-CE1 3.89Å; I53-Y128 HydrophobicContact CD1-CD1 4.47Å; I53-Y128 HydrophobicContact CD1-CE1 4.09Å; I53-Y128 HydrophobicContact CG1-CD1 4.44Å; I53-Y128 HydrophobicContact CG1-CE1 3.82Å; I53-Y128 HydrophobicContact CG2-CE1 3.98Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.23Å; C97-Y128 HydrophobicContact CB-CD1 4.21Å; I100-Y128 HydrophobicContact CG1-CD2 4.24Å; I100-Y128 HydrophobicContact CG1-CE2 4.15Å; I100-Y128 HydrophobicContact CG2-CD1 3.3Å; I100-Y128 HydrophobicContact CG2-CD2 3.63Å; I100-Y128 HydrophobicContact CG2-CE1 3.55Å; I100-Y128 HydrophobicContact CG2-CE2 3.91Å; I100-Y128 HydrophobicContact CG2-CG 3.34Å; M124-Y128 HydrophobicContact CG-CD2 3.76Å; M124-Y128 HydrophobicContact CG-CE2 3.68Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.42Å; M124-Y128 PolarHBondContact O-N 3.07Å; M124-Y128 HydrophobicContact SD-CE2 4.42Å; Y128-Y131 AromaticContact CD1-CD2 3.91Å; Y128-Y131 HydrophobicContact CD1-CD2 3.91Å; Y128-Y131 HydrophobicContact CD1-CE2 4.39Å; Y128-Y131 HydrophobicContact CE1-CD2 4.22Å; Y128-Y131 HydrophobicContact CE1-CE2 4.44Å; Y128-Y131 HydrophobicContact CG-CD2 4.23Å; Y128-Y131 HydrophobicContact CG-CE2 4.49Å; Y128-Y131 PolarHBondContact O-N 3.22Å; Y128-L132 WeakPolarHBondContact O-CG 3.07Å; Y128-L132 PolarHBondContact O-N 3.23Å; Y128-L132 VanDerWaalsContact O-N 3.07Å
129	H	98.8	Very high	98	Very high	21 Å²	21	28.4 Å²	28.4	10%	0.097	16%	0.16	C	C	.	.	H	α-helix	trans	-68.7	-34.7	168.3	-80.9	-61.9	0	0	0	112.6	K125 D127 Y131 L132 A133 N147	K125-H129 PolarHBondContact O-CD2 2.76Å; K125-H129 VanDerWaalsContact O-CD2 3.25Å; K125-H129 PolarHBondContact O-N 3.44Å; K125-H129 VanDerWaalsContact O-N 3.11Å; D127-H129 PolarHBondContact O-N 3.11Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-L132 PolarHBondContact O-N 3.02Å; H129-A133 PolarHBondContact O-N 2.82Å; H129-N147 HydrophobicContact CB-CB 4.41Å
130	R	98.3	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-45	171.8	167.8	172.8	67	100.1	-0.6	110.4	G126 D127 L132 A133 E134 Y152 F180 E183 I184 D249	G126-R130 WeakPolarHBondContact O-CB 3.41Å; G126-R130 PolarHBondContact O-N 2.81Å; D127-R130 WeakPolarHBondContact O-CA 3.35Å; D127-R130 VanDerWaalsContact O-CB 3.3Å; D127-R130 WeakPolarHBondContact O-CB 3.36Å; D127-R130 PolarHBondContact O-N 2.63Å; D127-R130 IonicContact OD1-NH2 3.4Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.07Å; R130-A133 WeakPolarHBondContact O-CA 3.41Å; R130-A133 WeakPolarHBondContact O-CB 3.41Å; R130-A133 PolarHBondContact O-N 2.96Å; R130-E134 PolarHBondContact O-N 3.48Å; R130-Y152 PolarHBondContact NE-OH 3.33Å; R130-F180 HydrophobicContact CB-CD2 4.18Å; R130-F180 HydrophobicContact CG-CD2 4.3Å; R130-E183 IonicContact NH1-OE2 3.76Å; R130-I184 HydrophobicContact CG-CD1 4.26Å; R130-I184 HydrophobicContact CG-CG1 3.83Å; R130-D249 IonicContact CZ-OD2 3.94Å; R130-D249 IonicContact NH1-OD2 3.08Å; R130-D249 PolarHBondContact NH1-OD2 3.32Å; R130-D249 IonicContact NH2-OD2 2.65Å; R130-D249 PolarHBondContact NH2-OD2 2.9Å
131	Y	97.8	Very high	97.9	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-42	176.9	-54.6	-28.9	0	0	0	112.4	I53 R57 D127 Y128 H129 A133 E134 F135 E251	I53-Y131 HydrophobicContact CG1-CD2 4.02Å; I53-Y131 HydrophobicContact CG2-CE2 4.48Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.44Å; R57-Y131 VanDerWaalsContact NE-CD1 3.33Å; R57-Y131 VanDerWaalsContact NH2-CE1 3.34Å; D127-Y131 HydrophobicContact CB-CE2 4.11Å; D127-Y131 WeakPolarHBondContact O-CD1 3.46Å; D127-Y131 WeakPolarHBondContact O-CD2 3.33Å; D127-Y131 VanDerWaalsContact O-CG 3.26Å; D127-Y131 PolarHBondContact O-N 3.46Å; Y128-Y131 AromaticContact CD1-CD2 3.91Å; Y128-Y131 HydrophobicContact CD1-CD2 3.91Å; Y128-Y131 HydrophobicContact CD1-CE2 4.39Å; Y128-Y131 HydrophobicContact CE1-CD2 4.22Å; Y128-Y131 HydrophobicContact CE1-CE2 4.44Å; Y128-Y131 HydrophobicContact CG-CD2 4.23Å; Y128-Y131 HydrophobicContact CG-CE2 4.49Å; Y128-Y131 PolarHBondContact O-N 3.22Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-A133 VanDerWaalsContact C-N 3.27Å; Y131-A133 PolarHBondContact O-N 2.97Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.2Å; Y131-E134 WeakPolarHBondContact O-CB 3.31Å; Y131-E134 PolarHBondContact O-N 3.47Å; Y131-F135 WeakPolarHBondContact O-CD1 3.49Å; Y131-F135 WeakPolarHBondContact O-CE1 3.5Å; Y131-E251 VanDerWaalsContact CE2-OE1 3.29Å; Y131-E251 WeakPolarHBondContact CE2-OE1 3.29Å; Y131-E251 WeakPolarHBondContact CE2-OE2 3.49Å; Y131-E251 VanDerWaalsContact CZ-CD 3.45Å; Y131-E251 VanDerWaalsContact CZ-OE1 3.25Å; Y131-E251 PolarHBondContact OH-OE1 3.46Å; Y131-E251 PolarHBondContact OH-OE2 3.13Å
132	L	98.4	Very high	97.9	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-42.2	171.4	-72.1	174.1	0	0	0	111.6	K94 C97 L101 Y128 H129 R130 E134 F135 A136 A144	K94-L132 HydrophobicContact CB-CD2 4.28Å; K94-L132 HydrophobicContact CG-CD2 3.99Å; C97-L132 HydrophobicContact CB-CD1 4.06Å; C97-L132 HydrophobicContact CB-CD2 3.58Å; C97-L132 HydrophobicContact CB-CG 3.63Å; L101-L132 HydrophobicContact CD1-CD1 3.7Å; Y128-L132 WeakPolarHBondContact O-CG 3.07Å; Y128-L132 PolarHBondContact O-N 3.23Å; Y128-L132 VanDerWaalsContact O-N 3.07Å; H129-L132 PolarHBondContact O-N 3.02Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.07Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 2.73Å; L132-F135 HydrophobicContact CD2-CE1 4.4Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 3.25Å; L132-A144 HydrophobicContact CB-CB 3.87Å
133	A	98.3	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-27.3	179.7	0	0	0	0	0	113	H129 R130 Y131 F135 R141 A144 A145 I184	H129-A133 PolarHBondContact O-N 2.82Å; R130-A133 WeakPolarHBondContact O-CA 3.41Å; R130-A133 WeakPolarHBondContact O-CB 3.41Å; R130-A133 PolarHBondContact O-N 2.96Å; Y131-A133 VanDerWaalsContact C-N 3.27Å; Y131-A133 PolarHBondContact O-N 2.97Å; A133-F135 VanDerWaalsContact C-N 3.33Å; A133-F135 PolarHBondContact O-N 3.38Å; A133-R141 PolarHBondContact O-NH1 2.55Å; A133-A144 HydrophobicContact CB-CB 3.84Å; A133-A145 HydrophobicContact CB-CB 4.46Å; A133-I184 HydrophobicContact CB-CD1 4.13Å; A133-I184 HydrophobicContact CB-CG1 4.43Å; A133-I184 HydrophobicContact CB-CG2 3.79Å
134	E	96.4	Very high	97.9	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-45.4	179.8	-69.9	176.3	-169.3	0	0	112.1	R57 W60 R130 Y131 L132 R141 I184	R57-E134 IonicContact CZ-OE1 3.74Å; R57-E134 IonicContact NE-OE1 3.68Å; R57-E134 IonicContact NE-OE2 3.62Å; R57-E134 PolarHBondContact NE-OE2 3.25Å; R57-E134 IonicContact NH2-OE1 3.22Å; R57-E134 PolarHBondContact NH2-OE1 3.34Å; R57-E134 IonicContact NH2-OE2 2.74Å; W60-E134 HydrophobicContact CH2-CB 4.02Å; W60-E134 HydrophobicContact CZ3-CB 4.11Å; R130-E134 PolarHBondContact O-N 3.48Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.2Å; Y131-E134 WeakPolarHBondContact O-CB 3.31Å; Y131-E134 PolarHBondContact O-N 3.47Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 2.73Å; E134-R141 PolarHBondContact O-NH1 2.9Å; E134-I184 HydrophobicContact CG-CD1 4.1Å
135	F	95.8	Very high	97.9	Very high	25 Å²	25	42.7 Å²	42.7	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-111.4	-15.2	-173.9	64.4	-92.9	0	0	0	114.5	W60 E90 L93 K94 Y131 L132 A133	W60-F135 HydrophobicContact CD2-CB 4.48Å; W60-F135 HydrophobicContact CH2-CB 4.3Å; W60-F135 HydrophobicContact CZ2-CB 3.51Å; E90-F135 HydrophobicContact CB-CD2 3.85Å; E90-F135 HydrophobicContact CB-CE2 4.15Å; E90-F135 HydrophobicContact CG-CB 4Å; E90-F135 HydrophobicContact CG-CD2 3.79Å; E90-F135 HydrophobicContact CG-CG 4.04Å; L93-F135 HydrophobicContact CB-CE1 3.84Å; L93-F135 HydrophobicContact CB-CZ 3.92Å; L93-F135 HydrophobicContact CD1-CD1 4.29Å; L93-F135 HydrophobicContact CD1-CE1 4.28Å; K94-F135 HydrophobicContact CB-CE2 4.14Å; K94-F135 HydrophobicContact CB-CZ 4.02Å; Y131-F135 WeakPolarHBondContact O-CD1 3.49Å; Y131-F135 WeakPolarHBondContact O-CE1 3.5Å; L132-F135 HydrophobicContact CD2-CE1 4.4Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; A133-F135 VanDerWaalsContact C-N 3.33Å; A133-F135 PolarHBondContact O-N 3.38Å
136	A	97.5	Very high	97.9	Very high	18 Å²	18	45.8 Å²	45.8	15%	0.149	25%	0.246	C	C	.	.			trans	-64.6	157	174.6	0	0	0	0	0	111.9	L132 D140 R141	L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 3.25Å; A136-D140 HydrophobicContact CB-CB 4.02Å; A136-R141 HydrophobicContact CB-CB 4.08Å; A136-R141 WeakPolarHBondContact O-CB 3.29Å
137	T	95.9	Very high	97.9	Very high	113 Å²	113	48.5 Å²	48.5	69%	0.693	26%	0.261	S	S	*	.			trans	-129.3	160.2	179.3	61.3	0	0	0	0	111.2	N139 D140 R141	T137-N139 PolarHBondContact O-N 2.98Å; T137-D140 PolarHBondContact O-N 3.25Å; T137-R141 PolarHBondContact O-N 3.32Å
138	G	96.3	Very high	97.9	Very high	60 Å²	60	48.3 Å²	48.3	62%	0.619	26%	0.26	S	S	*	.	H	α-helix	trans	56.4	-128.8	175.4	0	0	0	0	0	113.7	R141 K142	G138-R141 PolarHBondContact O-N 3.36Å; G138-K142 PolarHBondContact O-N 2.86Å
139	N	97.8	Very high	97.9	Very high	133 Å²	133	49.9 Å²	49.9	71%	0.711	27%	0.268	S	S	*	.	H	α-helix	trans	-67.6	-39	-178.1	-70.2	-17.7	0	0	0	112.5	T137 R141 K142 E143	T137-N139 PolarHBondContact O-N 2.98Å; N139-R141 VanDerWaalsContact C-N 3.26Å; N139-R141 PolarHBondContact O-N 2.93Å; N139-K142 WeakPolarHBondContact O-CB 3.29Å; N139-K142 PolarHBondContact O-N 3.09Å; N139-K142 VanDerWaalsContact O-N 3.08Å; N139-E143 PolarHBondContact O-N 3.37Å
140	D	97.4	Very high	97.9	Very high	88 Å²	88	53.5 Å²	53.5	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-40	178.5	-69.2	19.2	0	0	0	110.8	K94 A136 T137 A144	K94-D140 IonicContact NZ-OD2 3.45Å; A136-D140 HydrophobicContact CB-CB 4.02Å; T137-D140 PolarHBondContact O-N 3.25Å; D140-A144 VanDerWaalsContact O-CB 3.3Å; D140-A144 WeakPolarHBondContact O-CB 3.26Å; D140-A144 PolarHBondContact O-N 3.34Å
141	R	98.1	Very high	97.9	Very high	83 Å²	83	53.6 Å²	53.6	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-44.6	175.5	-172	177.6	172.9	99.6	0.9	111.7	A133 E134 A136 T137 G138 N139 A144 A145	A133-R141 PolarHBondContact O-NH1 2.55Å; E134-R141 PolarHBondContact O-NH1 2.9Å; A136-R141 HydrophobicContact CB-CB 4.08Å; A136-R141 WeakPolarHBondContact O-CB 3.29Å; T137-R141 PolarHBondContact O-N 3.32Å; G138-R141 PolarHBondContact O-N 3.36Å; N139-R141 VanDerWaalsContact C-N 3.26Å; N139-R141 PolarHBondContact O-N 2.93Å; R141-A144 PolarHBondContact O-N 2.67Å; R141-A145 WeakPolarHBondContact O-CB 3.31Å; R141-A145 PolarHBondContact O-N 3.43Å
142	K	98.3	Very high	98	Very high	127 Å²	127	53.5 Å²	53.5	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-63.4	-46.2	-179.1	-178.2	179.3	170.3	-176.3	0	110.7	G138 N139 A145 E146	G138-K142 PolarHBondContact O-N 2.86Å; N139-K142 WeakPolarHBondContact O-CB 3.29Å; N139-K142 PolarHBondContact O-N 3.09Å; N139-K142 VanDerWaalsContact O-N 3.08Å; K142-A145 PolarHBondContact O-N 3.06Å; K142-E146 WeakPolarHBondContact CE-OE1 3.26Å; K142-E146 IonicContact NZ-OE1 2.67Å; K142-E146 WeakPolarHBondContact O-CB 3.48Å; K142-E146 WeakPolarHBondContact O-CG 3.46Å; K142-E146 PolarHBondContact O-N 2.94Å
143	E	98.5	Very high	98	Very high	117 Å²	117	57.3 Å²	57.3	55%	0.547	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-45.2	177.4	-179.5	175.7	-176.3	0	0	111.7	N139 A145 E146 N147	N139-E143 PolarHBondContact O-N 3.37Å; E143-A145 PolarHBondContact O-N 3.35Å; E143-E146 PolarHBondContact O-N 3.46Å; E143-N147 WeakPolarHBondContact CG-ND2 3.47Å; E143-N147 WeakPolarHBondContact O-CB 3.43Å; E143-N147 PolarHBondContact O-N 3.15Å; E143-N147 PolarHBondContact O-ND2 3.43Å; E143-N147 VanDerWaalsContact O-ND2 3.15Å
144	A	98.6	Very high	98	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-44.2	176	0	0	0	0	0	111.8	L132 A133 D140 R141 N147 S148	L132-A144 HydrophobicContact CB-CB 3.87Å; A133-A144 HydrophobicContact CB-CB 3.84Å; D140-A144 VanDerWaalsContact O-CB 3.3Å; D140-A144 WeakPolarHBondContact O-CB 3.26Å; D140-A144 PolarHBondContact O-N 3.34Å; R141-A144 PolarHBondContact O-N 2.67Å; A144-N147 PolarHBondContact O-N 3.42Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.26Å; A144-S148 PolarHBondContact O-N 3.41Å
145	A	98.6	Very high	98.1	Very high	13 Å²	13	57.3 Å²	57.3	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-40.8	177	0	0	0	0	0	112.6	A133 R141 K142 E143 L149 F180 I184 L185	A133-A145 HydrophobicContact CB-CB 4.46Å; R141-A145 WeakPolarHBondContact O-CB 3.31Å; R141-A145 PolarHBondContact O-N 3.43Å; K142-A145 PolarHBondContact O-N 3.06Å; E143-A145 PolarHBondContact O-N 3.35Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 2.99Å; A145-F180 WeakPolarHBondContact O-CZ 3.48Å; A145-I184 HydrophobicContact CB-CG2 3.73Å; A145-L185 HydrophobicContact CB-CD2 4.45Å
146	E	98.7	Very high	98.2	Very high	102 Å²	102	57 Å²	57	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-46.7	176.5	-76.2	174.6	177.3	0	0	111.4	K142 E143 S148 L149 V150	K142-E146 WeakPolarHBondContact CE-OE1 3.26Å; K142-E146 IonicContact NZ-OE1 2.67Å; K142-E146 WeakPolarHBondContact O-CB 3.48Å; K142-E146 WeakPolarHBondContact O-CG 3.46Å; K142-E146 PolarHBondContact O-N 2.94Å; E143-E146 PolarHBondContact O-N 3.46Å; E146-S148 PolarHBondContact O-N 3.17Å; E146-L149 PolarHBondContact O-N 3.2Å; E146-V150 VanDerWaalsContact O-CG2 3.32Å; E146-V150 WeakPolarHBondContact O-CG2 3.21Å; E146-V150 PolarHBondContact O-N 3.06Å
147	N	98.8	Very high	98.3	Very high	57 Å²	57	61.3 Å²	61.3	31%	0.305	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-39.4	177.5	-75.4	-40.5	0	0	0	112.3	H129 E143 A144 V150 A151	H129-N147 HydrophobicContact CB-CB 4.41Å; E143-N147 WeakPolarHBondContact CG-ND2 3.47Å; E143-N147 WeakPolarHBondContact O-CB 3.43Å; E143-N147 PolarHBondContact O-N 3.15Å; E143-N147 PolarHBondContact O-ND2 3.43Å; E143-N147 VanDerWaalsContact O-ND2 3.15Å; A144-N147 PolarHBondContact O-N 3.42Å; N147-V150 PolarHBondContact O-N 3.16Å; N147-A151 WeakPolarHBondContact O-CB 3.45Å; N147-A151 PolarHBondContact O-N 3.07Å
148	S	98.8	Very high	98.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-48.2	173.5	-176.2	0	0	0	0	111.2	G126 A144 E146 V150 A151 Y152 F180	G126-S148 PolarHBondContact O-OG 3.5Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.26Å; A144-S148 PolarHBondContact O-N 3.41Å; E146-S148 PolarHBondContact O-N 3.17Å; S148-V150 PolarHBondContact O-N 3.05Å; S148-A151 PolarHBondContact O-N 2.9Å; S148-Y152 VanDerWaalsContact O-CD2 3.23Å; S148-Y152 WeakPolarHBondContact O-CD2 3.37Å; S148-Y152 PolarHBondContact O-N 3.06Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.41Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.4Å; S148-F180 WeakPolarHBondContact OG-CD2 3.27Å; S148-F180 WeakPolarHBondContact OG-CE2 3.34Å
149	L	98.7	Very high	98.5	Very high	36 Å²	36	54.7 Å²	54.7	19%	0.188	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-42.2	177.4	178.9	62.8	0	0	0	112.4	A145 E146 K153 F177 F180 Y181	A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 2.99Å; E146-L149 PolarHBondContact O-N 3.2Å; L149-K153 HydrophobicContact CD1-CD 4.2Å; L149-K153 HydrophobicContact CD1-CG 4.33Å; L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.38Å; L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.35Å; L149-K153 PolarHBondContact O-N 3.41Å; L149-F177 HydrophobicContact CD1-CE2 3.79Å; L149-F177 HydrophobicContact CD1-CZ 3.81Å; L149-F180 HydrophobicContact CB-CE1 3.96Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.01Å; L149-Y181 HydrophobicContact CD1-CE1 4.36Å
150	V	98.8	Very high	98.5	Very high	96 Å²	96	54.1 Å²	54.1	58%	0.582	27%	0.274	S	S	*	.	H	α-helix	trans	-62.7	-46.9	177.4	168.6	0	0	0	0	110.6	E146 N147 S148 K153 A154	E146-V150 VanDerWaalsContact O-CG2 3.32Å; E146-V150 WeakPolarHBondContact O-CG2 3.21Å; E146-V150 PolarHBondContact O-N 3.06Å; N147-V150 PolarHBondContact O-N 3.16Å; S148-V150 PolarHBondContact O-N 3.05Å; V150-K153 PolarHBondContact O-N 2.83Å; V150-A154 WeakPolarHBondContact O-CB 3.22Å; V150-A154 PolarHBondContact O-N 3.15Å
151	A	98.8	Very high	98.4	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-45.3	-179.6	0	0	0	0	0	112.1	K125 N147 S148 K153 A154 A155	K125-A151 HydrophobicContact CB-CB 4.02Å; K125-A151 HydrophobicContact CD-CB 4.28Å; K125-A151 HydrophobicContact CG-CB 3.83Å; N147-A151 WeakPolarHBondContact O-CB 3.45Å; N147-A151 PolarHBondContact O-N 3.07Å; S148-A151 PolarHBondContact O-N 2.9Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.34Å; A151-A154 PolarHBondContact O-N 3.01Å; A151-A155 PolarHBondContact O-N 3.15Å
152	Y	98.8	Very high	98.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-37	176.8	-74.8	-50.1	0	0	0	113.2	G126 D127 R130 S148 A155 S156 L173 N176 F177 F180	G126-Y152 VanDerWaalsContact C-CZ 3.43Å; D127-Y152 WeakPolarHBondContact CA-OH 3.13Å; D127-Y152 PolarHBondContact N-OH 3Å; D127-Y152 PolarHBondContact OD1-OH 3.41Å; R130-Y152 PolarHBondContact NE-OH 3.33Å; S148-Y152 VanDerWaalsContact O-CD2 3.23Å; S148-Y152 WeakPolarHBondContact O-CD2 3.37Å; S148-Y152 PolarHBondContact O-N 3.06Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.41Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.4Å; Y152-A155 PolarHBondContact O-N 3.47Å; Y152-S156 WeakPolarHBondContact O-CB 3.5Å; Y152-S156 PolarHBondContact O-N 3.31Å; Y152-S156 PolarHBondContact O-OG 2.91Å; Y152-L173 HydrophobicContact CD1-CD1 3.64Å; Y152-L173 HydrophobicContact CE1-CD1 4.35Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; Y152-F177 VanDerWaalsContact CB-CD2 3.47Å; Y152-F177 HydrophobicContact CD1-CB 4.02Å; Y152-F177 HydrophobicContact CD1-CD2 4.46Å; Y152-F177 HydrophobicContact CD1-CG 4.28Å; Y152-F177 HydrophobicContact CD2-CB 4.37Å; Y152-F177 AromaticContact CD2-CD2 3.47Å; Y152-F177 HydrophobicContact CD2-CD2 3.47Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.47Å; Y152-F177 AromaticContact CD2-CE2 3.93Å; Y152-F177 HydrophobicContact CD2-CE2 3.93Å; Y152-F177 HydrophobicContact CD2-CG 4.1Å; Y152-F177 HydrophobicContact CE1-CB 4.42Å; Y152-F177 HydrophobicContact CE2-CD2 4.26Å; Y152-F177 HydrophobicContact CG-CB 3.99Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.58Å; Y152-F177 HydrophobicContact CG-CD2 3.58Å; Y152-F177 HydrophobicContact CG-CE2 4.07Å; Y152-F177 AromaticContact CG-CG 3.77Å; Y152-F177 HydrophobicContact CG-CG 3.77Å; Y152-F180 HydrophobicContact CD2-CB 4.18Å; Y152-F180 HydrophobicContact CD2-CD1 4.18Å; Y152-F180 HydrophobicContact CD2-CG 4.04Å; Y152-F180 HydrophobicContact CE2-CB 3.61Å; Y152-F180 HydrophobicContact CE2-CD1 4.37Å; Y152-F180 HydrophobicContact CE2-CD2 4.13Å; Y152-F180 AromaticContact CE2-CG 3.78Å; Y152-F180 HydrophobicContact CE2-CG 3.78Å
153	K	98.7	Very high	98.3	Very high	101 Å²	101	50.9 Å²	50.9	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-46.5	173.9	-78.1	176.7	173	174.4	0	111.8	L149 V150 A151 A155 S156 D157 F177	L149-K153 HydrophobicContact CD1-CD 4.2Å; L149-K153 HydrophobicContact CD1-CG 4.33Å; L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.38Å; L149-K153 VanDerWaalsContact O-CG 3.29Å; L149-K153 WeakPolarHBondContact O-CG 3.35Å; L149-K153 PolarHBondContact O-N 3.41Å; V150-K153 PolarHBondContact O-N 2.83Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.34Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 2.93Å; K153-S156 PolarHBondContact O-N 3.47Å; K153-D157 VanDerWaalsContact O-CG 3.3Å; K153-D157 PolarHBondContact O-N 3.12Å; K153-F177 HydrophobicContact CG-CE1 4.49Å; K153-F177 HydrophobicContact CG-CZ 4.13Å
154	A	98.6	Very high	98.2	Very high	27 Å²	27	48.2 Å²	48.2	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-43	175.8	0	0	0	0	0	111.6	Y122 V150 A151 I158	Y122-A154 HydrophobicContact CD1-CB 3.93Å; Y122-A154 HydrophobicContact CE1-CB 4.11Å; Y122-A154 HydrophobicContact CG-CB 4.16Å; V150-A154 WeakPolarHBondContact O-CB 3.22Å; V150-A154 PolarHBondContact O-N 3.15Å; A151-A154 PolarHBondContact O-N 3.01Å; A154-I158 WeakPolarHBondContact O-CG1 3.5Å; A154-I158 PolarHBondContact O-N 3.14Å
155	A	98.8	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43	173.1	0	0	0	0	0	112	V119 A151 Y152 K153 I158 A159 L173	V119-A155 HydrophobicContact CG1-CB 4.4Å; A151-A155 PolarHBondContact O-N 3.15Å; Y152-A155 PolarHBondContact O-N 3.47Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 2.93Å; A155-I158 PolarHBondContact O-N 2.9Å; A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 3.4Å; A155-L173 VanDerWaalsContact C-CD2 3.49Å; A155-L173 HydrophobicContact CB-CD1 3.68Å; A155-L173 HydrophobicContact CB-CD2 3.63Å; A155-L173 HydrophobicContact CB-CG 4.31Å
156	S	98.6	Very high	98	Very high	17 Å²	17	48.4 Å²	48.4	12%	0.119	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-43.8	-177.2	-59.7	0	0	0	0	111.7	Y152 K153 I158 A159 M160	Y152-S156 WeakPolarHBondContact O-CB 3.5Å; Y152-S156 PolarHBondContact O-N 3.31Å; Y152-S156 PolarHBondContact O-OG 2.91Å; K153-S156 PolarHBondContact O-N 3.47Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.07Å; S156-A159 PolarHBondContact O-N 2.95Å; S156-M160 WeakPolarHBondContact O-CB 3.42Å; S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.41Å; S156-M160 PolarHBondContact O-N 2.95Å
157	D	98.3	Very high	97.8	Very high	109 Å²	109	45.3 Å²	45.3	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-60.3	-43.2	-179.8	-68.6	-17.8	0	0	0	110.9	K153 T161	K153-D157 VanDerWaalsContact O-CG 3.3Å; K153-D157 PolarHBondContact O-N 3.12Å; D157-T161 PolarHBondContact O-OG1 3.33Å
158	I	98.6	Very high	97.7	Very high	32 Å²	32	43.7 Å²	43.7	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-44.8	176.8	-59.5	168.6	0	0	0	110.7	K118 V119 Y122 A154 A155 S156 M160 T161 E162	K118-I158 HydrophobicContact CB-CD1 3.92Å; K118-I158 HydrophobicContact CB-CG2 4.47Å; K118-I158 HydrophobicContact CD-CD1 4.33Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.6Å; Y122-I158 HydrophobicContact CD2-CD1 4.13Å; Y122-I158 HydrophobicContact CE2-CD1 4.2Å; A154-I158 WeakPolarHBondContact O-CG1 3.5Å; A154-I158 PolarHBondContact O-N 3.14Å; A155-I158 PolarHBondContact O-N 2.9Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.07Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 3.46Å; I158-T161 PolarHBondContact O-N 2.7Å; I158-T161 VanDerWaalsContact O-N 3.15Å; I158-T161 PolarHBondContact O-OG1 2.99Å; I158-T161 VanDerWaalsContact O-OG1 3.1Å; I158-E162 HydrophobicContact CG2-CB 4.32Å; I158-E162 HydrophobicContact CG2-CG 4.13Å; I158-E162 WeakPolarHBondContact O-CB 3.43Å; I158-E162 PolarHBondContact O-N 2.73Å
159	A	98.5	Very high	97.6	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-35.8	-177.8	0	0	0	0	0	112.5	V119 A155 S156 T161 L163 R170 L173	V119-A159 HydrophobicContact CG1-CB 3.85Å; V119-A159 HydrophobicContact CG2-CB 3.81Å; A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 3.4Å; S156-A159 PolarHBondContact O-N 2.95Å; A159-T161 VanDerWaalsContact C-N 3.26Å; A159-T161 PolarHBondContact O-N 3.17Å; A159-L163 HydrophobicContact CB-CD1 4.31Å; A159-L163 PolarHBondContact O-N 3.02Å; A159-L163 VanDerWaalsContact O-N 3.13Å; A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.13Å; A159-L173 HydrophobicContact CB-CD2 3.98Å
160	M	97.2	Very high	97.5	Very high	122 Å²	122	45.1 Å²	45.1	60%	0.601	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-30.4	177.9	-76.7	-179.2	-175.4	0	0	112.9	S156 I158	S156-M160 WeakPolarHBondContact O-CB 3.42Å; S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.41Å; S156-M160 PolarHBondContact O-N 2.95Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 3.46Å
161	T	96.7	Very high	97.5	Very high	115 Å²	115	40.6 Å²	40.6	71%	0.706	22%	0.217	S	C	*	.	H	α-helix	trans	-99.6	-30.6	-177.4	55.8	0	0	0	0	113.9	D157 I158 A159	D157-T161 PolarHBondContact O-OG1 3.33Å; I158-T161 PolarHBondContact O-N 2.7Å; I158-T161 VanDerWaalsContact O-N 3.15Å; I158-T161 PolarHBondContact O-OG1 2.99Å; I158-T161 VanDerWaalsContact O-OG1 3.1Å; A159-T161 VanDerWaalsContact C-N 3.26Å; A159-T161 PolarHBondContact O-N 3.17Å
162	E	97.9	Very high	97.4	Very high	100 Å²	100	40.6 Å²	40.6	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-108.2	-15.9	-170.6	-61.5	-161.9	-137.6	0	0	114.1	G115 I158	G115-E162 WeakPolarHBondContact CA-OE2 2.87Å; G115-E162 PolarHBondContact N-OE2 3.33Å; G115-E162 VanDerWaalsContact N-OE2 3.07Å; I158-E162 HydrophobicContact CG2-CB 4.32Å; I158-E162 HydrophobicContact CG2-CG 4.13Å; I158-E162 WeakPolarHBondContact O-CB 3.43Å; I158-E162 PolarHBondContact O-N 2.73Å
163	L	96.7	Very high	97.4	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	22%	0.218	C	C	.	.	S	Bend	trans	-124.1	135.7	-177.5	-57	179.9	0	0	0	111.8	E116 V119 A159 H167 I169 R170	E116-L163 HydrophobicContact CB-CD2 4.27Å; V119-L163 HydrophobicContact CB-CD1 3.98Å; V119-L163 HydrophobicContact CG1-CD1 3.99Å; V119-L163 HydrophobicContact CG2-CD1 3.89Å; V119-L163 HydrophobicContact CG2-CG 4.49Å; A159-L163 HydrophobicContact CB-CD1 4.31Å; A159-L163 PolarHBondContact O-N 3.02Å; A159-L163 VanDerWaalsContact O-N 3.13Å; L163-H167 HydrophobicContact CB-CB 4.02Å; L163-I169 HydrophobicContact CD1-CB 4.36Å; L163-I169 HydrophobicContact CD1-CG2 4.31Å; L163-R170 HydrophobicContact CB-CB 4.22Å; L163-R170 HydrophobicContact CD1-CB 4.28Å; L163-R170 PolarHBondContact O-NH1 3.4Å
164	P	95.9	Very high	97.4	Very high	61 Å²	61	36.4 Å²	36.4	40%	0.396	20%	0.201	S	C	.	.			trans	-63.6	152.9	174.7	26.4	-32.4	0	0	0	110.9	T166 H167 R170	P164-T166 PolarHBondContact O-N 3.21Å; P164-T166 VanDerWaalsContact O-N 3.09Å; P164-H167 HydrophobicContact CG-CB 4.01Å; P164-H167 WeakPolarHBondContact O-CB 3.42Å; P164-H167 PolarHBondContact O-N 3.46Å; P164-R170 WeakPolarHBondContact O-CD 3.16Å
165	P	96.8	Very high	97.4	Very high	17 Å²	17	35.1 Å²	35.1	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.1	178.9	-27.7	35.6	0	0	0	114.7	H167 D201 E205	P165-H167 VanDerWaalsContact C-N 3.32Å; P165-D201 HydrophobicContact CB-CB 3.93Å; P165-D201 HydrophobicContact CG-CB 4.44Å; P165-E205 WeakPolarHBondContact CD-OE2 3.32Å
166	T	95.9	Very high	97.4	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.043	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.2	179.2	51	0	0	0	0	114.2	P164 A202 E205 L209 S217	P164-T166 PolarHBondContact O-N 3.21Å; P164-T166 VanDerWaalsContact O-N 3.09Å; T166-A202 WeakPolarHBondContact CG2-O 3.4Å; T166-E205 HydrophobicContact CG2-CB 3.87Å; T166-L209 HydrophobicContact CG2-CD1 3.77Å; T166-L209 HydrophobicContact CG2-CG 4.05Å; T166-S217 WeakPolarHBondContact O-CB 3.34Å; T166-S217 PolarHBondContact O-OG 3.12Å
167	H	95.2	Very high	97.4	Very high	36 Å²	36	34.7 Å²	34.7	17%	0.167	19%	0.186	C	C	.	.			trans	-66.6	128.9	-177	-164.4	-79.6	0	0	0	111.4	E116 L163 P164 P165 I169 R170 L171	E116-H167 IonicContact OE2-CE1 2.73Å; E116-H167 IonicContact OE2-NE2 2.63Å; L163-H167 HydrophobicContact CB-CB 4.02Å; P164-H167 HydrophobicContact CG-CB 4.01Å; P164-H167 WeakPolarHBondContact O-CB 3.42Å; P164-H167 PolarHBondContact O-N 3.46Å; P165-H167 VanDerWaalsContact C-N 3.32Å; H167-I169 VanDerWaalsContact C-N 3.29Å; H167-I169 PolarHBondContact ND1-N 3.09Å; H167-I169 PolarHBondContact O-N 3.42Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3.19Å; H167-L171 PolarHBondContact O-N 3.32Å
168	P	95.4	Very high	97.4	Very high	23 Å²	23	29.5 Å²	29.5	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-53.7	-41.7	-177.2	-27.2	32.1	0	0	0	113.9	R170 L171 G172 D216 S217 I220	P168-R170 PolarHBondContact O-N 3.07Å; P168-L171 PolarHBondContact O-N 3.02Å; P168-G172 PolarHBondContact O-N 3.19Å; P168-D216 HydrophobicContact CB-CB 4.14Å; P168-D216 HydrophobicContact CG-CB 4.03Å; P168-S217 WeakPolarHBondContact CD-OG 3.42Å; P168-S217 WeakPolarHBondContact CG-OG 3.5Å; P168-I220 HydrophobicContact CB-CD1 4.1Å; P168-I220 VanDerWaalsContact O-CD1 3.29Å; P168-I220 WeakPolarHBondContact O-CD1 3.47Å
169	I	96.4	Very high	97.3	Very high	20 Å²	20	28 Å²	28	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-38.4	178	-62.3	174.5	0	0	0	112.3	E116 V119 F120 L163 H167 L173	E116-I169 HydrophobicContact CG-CD1 3.42Å; E116-I169 VanDerWaalsContact CG-CD1 3.42Å; V119-I169 HydrophobicContact CB-CG2 4.15Å; V119-I169 HydrophobicContact CG1-CG2 3.63Å; F120-I169 HydrophobicContact CB-CD1 4.36Å; F120-I169 HydrophobicContact CB-CG2 4.47Å; F120-I169 HydrophobicContact CD2-CD1 3.88Å; F120-I169 HydrophobicContact CD2-CG1 4.25Å; L163-I169 HydrophobicContact CD1-CB 4.36Å; L163-I169 HydrophobicContact CD1-CG2 4.31Å; H167-I169 VanDerWaalsContact C-N 3.29Å; H167-I169 PolarHBondContact ND1-N 3.09Å; H167-I169 PolarHBondContact O-N 3.42Å; I169-L173 WeakPolarHBondContact O-CB 3.37Å; I169-L173 PolarHBondContact O-N 2.9Å
170	R	97.7	Very high	97.3	Very high	46 Å²	46	27.9 Å²	27.9	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-42.9	178.3	177	173.6	170	173	-6.2	110.8	A159 L163 P164 H167 P168 L173 A174 D201	A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.13Å; L163-R170 HydrophobicContact CB-CB 4.22Å; L163-R170 HydrophobicContact CD1-CB 4.28Å; L163-R170 PolarHBondContact O-NH1 3.4Å; P164-R170 WeakPolarHBondContact O-CD 3.16Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3.19Å; P168-R170 PolarHBondContact O-N 3.07Å; R170-L173 WeakPolarHBondContact O-CB 3.23Å; R170-L173 PolarHBondContact O-N 3.48Å; R170-A174 PolarHBondContact O-N 2.96Å; R170-D201 IonicContact NH2-OD2 3.95Å
171	L	97.9	Very high	97.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-47	173.6	-75.1	170.6	0	0	0	111.5	H167 P168 L173 A174 L175 A202 I220 M221 L224	H167-L171 PolarHBondContact O-N 3.32Å; P168-L171 PolarHBondContact O-N 3.02Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.33Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 2.83Å; L171-A174 VanDerWaalsContact O-N 3.12Å; L171-L175 PolarHBondContact O-N 3.15Å; L171-A202 HydrophobicContact CD2-CB 3.69Å; L171-I220 HydrophobicContact CB-CB 4.13Å; L171-I220 HydrophobicContact CB-CD1 4.4Å; L171-I220 HydrophobicContact CB-CG2 3.63Å; L171-M221 HydrophobicContact CD1-CG 3.93Å; L171-M221 HydrophobicContact CD1-SD 4.38Å; L171-M221 HydrophobicContact CD2-CG 4.02Å; L171-L224 HydrophobicContact CD2-CD1 3.95Å
172	G	97.8	Very high	97.4	Very high	2 Å²	2	20 Å²	20	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-34.7	178.8	0	0	0	0	0	112.4	K123 P168 N176	K123-G172 WeakPolarHBondContact CE-O 3.42Å; P168-G172 PolarHBondContact O-N 3.19Å; G172-N176 PolarHBondContact O-N 3.25Å; G172-N176 PolarHBondContact O-OD1 2.84Å
173	L	98.6	Very high	97.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-48.5	170.8	169	64	0	0	0	111.2	V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 F177	V119-L173 HydrophobicContact CG1-CD2 4.03Å; K123-L173 HydrophobicContact CB-CD1 4.07Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 4.03Å; Y152-L173 HydrophobicContact CD1-CD1 3.64Å; Y152-L173 HydrophobicContact CE1-CD1 4.35Å; A155-L173 VanDerWaalsContact C-CD2 3.49Å; A155-L173 HydrophobicContact CB-CD1 3.68Å; A155-L173 HydrophobicContact CB-CD2 3.63Å; A155-L173 HydrophobicContact CB-CG 4.31Å; A159-L173 HydrophobicContact CB-CD2 3.98Å; I169-L173 WeakPolarHBondContact O-CB 3.37Å; I169-L173 PolarHBondContact O-N 2.9Å; R170-L173 WeakPolarHBondContact O-CB 3.23Å; R170-L173 PolarHBondContact O-N 3.48Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.33Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 3.46Å; L173-N176 PolarHBondContact O-N 2.74Å; L173-F177 WeakPolarHBondContact O-CB 3.29Å; L173-F177 PolarHBondContact O-N 3.06Å
174	A	98.6	Very high	97.3	Very high	9 Å²	9	18.4 Å²	18.4	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-42.1	178.9	0	0	0	0	0	111.9	R170 L171 S178 A198	R170-A174 PolarHBondContact O-N 2.96Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 2.83Å; L171-A174 VanDerWaalsContact O-N 3.12Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 2.93Å; A174-S178 PolarHBondContact O-OG 3.38Å; A174-A198 HydrophobicContact CB-CB 3.35Å
175	L	98.2	Very high	97.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.7	-60.6	175.3	179	60.7	0	0	0	110.7	L171 L173 F177 S178 V179 I220 L223 L224 N227 V250	L171-L175 PolarHBondContact O-N 3.15Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 3.46Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 2.89Å; L175-S178 PolarHBondContact O-N 3.34Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 PolarHBondContact O-OG 3.25Å; L175-V179 WeakPolarHBondContact O-CG2 3.37Å; L175-V179 PolarHBondContact O-N 3.28Å; L175-I220 HydrophobicContact CB-CG2 4.25Å; L175-I220 HydrophobicContact CD2-CG2 4.12Å; L175-L223 HydrophobicContact CD1-CB 4.1Å; L175-L223 HydrophobicContact CD2-CB 3.63Å; L175-L223 HydrophobicContact CD2-CD1 3.66Å; L175-L223 HydrophobicContact CD2-CG 4.3Å; L175-L224 HydrophobicContact CB-CD2 3.95Å; L175-L224 HydrophobicContact CB-CG 4.19Å; L175-L224 HydrophobicContact CD1-CD2 3.99Å; L175-L224 HydrophobicContact CD1-CG 4.16Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.32Å; L175-V250 HydrophobicContact CD2-CG2 3.82Å
176	N	98	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-36.7	-175.7	-72.4	25.8	0	0	0	112.7	K123 D127 Y152 G172 L173 S178 V179 F180 V250	K123-N176 PolarHBondContact NZ-ND2 3.37Å; D127-N176 VanDerWaalsContact OD1-CB 3.23Å; D127-N176 WeakPolarHBondContact OD1-CB 3.42Å; D127-N176 PolarHBondContact OD1-ND2 2.99Å; D127-N176 PolarHBondContact OD2-ND2 3.15Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; G172-N176 PolarHBondContact O-N 3.25Å; G172-N176 PolarHBondContact O-OD1 2.84Å; L173-N176 PolarHBondContact O-N 2.74Å; N176-S178 VanDerWaalsContact C-N 3.34Å; N176-V179 PolarHBondContact O-N 2.71Å; N176-F180 PolarHBondContact O-N 3.01Å; N176-V250 PolarHBondContact OD1-N 3.27Å
177	F	98.6	Very high	97.4	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-70.4	-31.9	177.7	-169.8	-166.9	0	0	0	112	L149 Y152 K153 L173 L175 F180 Y181 L194	L149-F177 HydrophobicContact CD1-CE2 3.79Å; L149-F177 HydrophobicContact CD1-CZ 3.81Å; Y152-F177 VanDerWaalsContact CB-CD2 3.47Å; Y152-F177 HydrophobicContact CD1-CB 4.02Å; Y152-F177 HydrophobicContact CD1-CD2 4.46Å; Y152-F177 HydrophobicContact CD1-CG 4.28Å; Y152-F177 HydrophobicContact CD2-CB 4.37Å; Y152-F177 AromaticContact CD2-CD2 3.47Å; Y152-F177 HydrophobicContact CD2-CD2 3.47Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.47Å; Y152-F177 AromaticContact CD2-CE2 3.93Å; Y152-F177 HydrophobicContact CD2-CE2 3.93Å; Y152-F177 HydrophobicContact CD2-CG 4.1Å; Y152-F177 HydrophobicContact CE1-CB 4.42Å; Y152-F177 HydrophobicContact CE2-CD2 4.26Å; Y152-F177 HydrophobicContact CG-CB 3.99Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.58Å; Y152-F177 HydrophobicContact CG-CD2 3.58Å; Y152-F177 HydrophobicContact CG-CE2 4.07Å; Y152-F177 AromaticContact CG-CG 3.77Å; Y152-F177 HydrophobicContact CG-CG 3.77Å; K153-F177 HydrophobicContact CG-CE1 4.49Å; K153-F177 HydrophobicContact CG-CZ 4.13Å; L173-F177 WeakPolarHBondContact O-CB 3.29Å; L173-F177 PolarHBondContact O-N 3.06Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 2.89Å; F177-F180 HydrophobicContact CD2-CB 4.31Å; F177-F180 AromaticContact CD2-CD1 3.75Å; F177-F180 HydrophobicContact CD2-CD1 3.75Å; F177-F180 HydrophobicContact CD2-CG 4.4Å; F177-F180 AromaticContact CE2-CD1 3.72Å; F177-F180 HydrophobicContact CE2-CD1 3.72Å; F177-F180 HydrophobicContact CE2-CE1 4.13Å; F177-F180 WeakPolarHBondContact O-CB 3.44Å; F177-F180 PolarHBondContact O-N 2.93Å; F177-Y181 HydrophobicContact CD1-CE2 4.21Å; F177-Y181 AromaticContact CD2-CD2 3.93Å; F177-Y181 HydrophobicContact CD2-CD2 3.93Å; F177-Y181 AromaticContact CD2-CE2 3.64Å; F177-Y181 HydrophobicContact CD2-CE2 3.64Å; F177-Y181 AromaticContact CE1-CE2 3.93Å; F177-Y181 HydrophobicContact CE1-CE2 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CE1 4.39Å; F177-Y181 AromaticContact CE2-CE2 3.3Å; F177-Y181 HydrophobicContact CE2-CE2 3.3Å; F177-Y181 AromaticContact CE2-CZ 3.54Å; F177-Y181 HydrophobicContact CG-CD2 4.43Å; F177-Y181 HydrophobicContact CG-CE2 4.09Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.58Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.43Å; F177-Y181 VanDerWaalsContact O-CD2 3.22Å; F177-Y181 WeakPolarHBondContact O-CD2 3.26Å; F177-Y181 PolarHBondContact O-N 3.37Å; F177-L194 HydrophobicContact CB-CD2 3.77Å; F177-L194 HydrophobicContact CD1-CD2 3.58Å; F177-L194 HydrophobicContact CE1-CD2 4.37Å; F177-L194 HydrophobicContact CG-CD2 3.68Å
178	S	98.3	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-41.7	172.2	69.9	0	0	0	0	111.8	A174 L175 N176 F180 Y181 Y182 A191 W231	A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 2.93Å; A174-S178 PolarHBondContact O-OG 3.38Å; L175-S178 PolarHBondContact O-N 3.34Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 PolarHBondContact O-OG 3.25Å; N176-S178 VanDerWaalsContact C-N 3.34Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 3.42Å; S178-Y181 PolarHBondContact O-N 3.3Å; S178-Y181 VanDerWaalsContact O-N 3.16Å; S178-Y182 PolarHBondContact O-N 3.4Å; S178-A191 WeakPolarHBondContact O-CB 3.32Å; S178-W231 VanDerWaalsContact OG-CH2 3.31Å; S178-W231 WeakPolarHBondContact OG-CH2 3.44Å
179	V	97.3	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-43.5	172.2	175.6	0	0	0	0	110.8	L175 N176 Y181 Y182 E183 W231 L247 D249	L175-V179 WeakPolarHBondContact O-CG2 3.37Å; L175-V179 PolarHBondContact O-N 3.28Å; N176-V179 PolarHBondContact O-N 2.71Å; V179-Y181 PolarHBondContact O-N 2.98Å; V179-Y182 PolarHBondContact O-N 3.29Å; V179-Y182 VanDerWaalsContact O-N 3.17Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.35Å; V179-E183 PolarHBondContact O-N 2.94Å; V179-W231 HydrophobicContact CG2-CH2 4.14Å; V179-W231 HydrophobicContact CG2-CZ2 4.02Å; V179-L247 HydrophobicContact CG1-CB 4.31Å; V179-L247 HydrophobicContact CG1-CD1 4.49Å; V179-D249 HydrophobicContact CG2-CB 4.36Å
180	F	98.4	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.1	-47.5	173.4	169.8	-101	0	0	0	113	R130 A145 S148 L149 Y152 N176 F177 S178 Y182 I184 L185	R130-F180 HydrophobicContact CB-CD2 4.18Å; R130-F180 HydrophobicContact CG-CD2 4.3Å; A145-F180 WeakPolarHBondContact O-CZ 3.48Å; S148-F180 WeakPolarHBondContact OG-CD2 3.27Å; S148-F180 WeakPolarHBondContact OG-CE2 3.34Å; L149-F180 HydrophobicContact CB-CE1 3.96Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.01Å; Y152-F180 HydrophobicContact CD2-CB 4.18Å; Y152-F180 HydrophobicContact CD2-CD1 4.18Å; Y152-F180 HydrophobicContact CD2-CG 4.04Å; Y152-F180 HydrophobicContact CE2-CB 3.61Å; Y152-F180 HydrophobicContact CE2-CD1 4.37Å; Y152-F180 HydrophobicContact CE2-CD2 4.13Å; Y152-F180 AromaticContact CE2-CG 3.78Å; Y152-F180 HydrophobicContact CE2-CG 3.78Å; N176-F180 PolarHBondContact O-N 3.01Å; F177-F180 HydrophobicContact CD2-CB 4.31Å; F177-F180 AromaticContact CD2-CD1 3.75Å; F177-F180 HydrophobicContact CD2-CD1 3.75Å; F177-F180 HydrophobicContact CD2-CG 4.4Å; F177-F180 AromaticContact CE2-CD1 3.72Å; F177-F180 HydrophobicContact CE2-CD1 3.72Å; F177-F180 HydrophobicContact CE2-CE1 4.13Å; F177-F180 WeakPolarHBondContact O-CB 3.44Å; F177-F180 PolarHBondContact O-N 2.93Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 3.42Å; F180-Y182 VanDerWaalsContact C-N 3.26Å; F180-Y182 PolarHBondContact O-N 3.5Å; F180-I184 HydrophobicContact CD2-CB 3.7Å; F180-I184 HydrophobicContact CD2-CG1 3.72Å; F180-I184 HydrophobicContact CD2-CG2 4.16Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.1Å; F180-I184 HydrophobicContact CE2-CG2 3.65Å; F180-I184 HydrophobicContact CZ-CG2 4.43Å; F180-I184 WeakPolarHBondContact O-CB 3.4Å; F180-I184 PolarHBondContact O-N 2.9Å; F180-L185 HydrophobicContact CD1-CD1 4.21Å; F180-L185 HydrophobicContact CD1-CG 4.34Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.34Å; F180-L185 HydrophobicContact CE1-CG 3.58Å; F180-L185 HydrophobicContact CE2-CG 4.42Å; F180-L185 HydrophobicContact CZ-CD1 3.79Å; F180-L185 HydrophobicContact CZ-CD2 3.93Å; F180-L185 HydrophobicContact CZ-CG 3.62Å; F180-L185 PolarHBondContact O-N 2.97Å
181	Y	98.4	Very high	97.4	Very high	27 Å²	27	29.4 Å²	29.4	11%	0.106	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-39.4	177.9	-84.5	-61.6	0	0	0	111.8	L149 F177 S178 V179 L185 N186 S187 R190 L194	L149-Y181 HydrophobicContact CD1-CE1 4.36Å; F177-Y181 HydrophobicContact CD1-CE2 4.21Å; F177-Y181 AromaticContact CD2-CD2 3.93Å; F177-Y181 HydrophobicContact CD2-CD2 3.93Å; F177-Y181 AromaticContact CD2-CE2 3.64Å; F177-Y181 HydrophobicContact CD2-CE2 3.64Å; F177-Y181 AromaticContact CE1-CE2 3.93Å; F177-Y181 HydrophobicContact CE1-CE2 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CE1 4.39Å; F177-Y181 AromaticContact CE2-CE2 3.3Å; F177-Y181 HydrophobicContact CE2-CE2 3.3Å; F177-Y181 AromaticContact CE2-CZ 3.54Å; F177-Y181 HydrophobicContact CG-CD2 4.43Å; F177-Y181 HydrophobicContact CG-CE2 4.09Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.58Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.43Å; F177-Y181 VanDerWaalsContact O-CD2 3.22Å; F177-Y181 WeakPolarHBondContact O-CD2 3.26Å; F177-Y181 PolarHBondContact O-N 3.37Å; S178-Y181 PolarHBondContact O-N 3.3Å; S178-Y181 VanDerWaalsContact O-N 3.16Å; V179-Y181 PolarHBondContact O-N 2.98Å; Y181-L185 HydrophobicContact CD1-CB 4.48Å; Y181-L185 HydrophobicContact CD1-CD1 3.72Å; Y181-L185 HydrophobicContact CE1-CD1 3.8Å; Y181-L185 CarbonylContact O-C 3.52Å; Y181-N186 PolarHBondContact O-N 3.3Å; Y181-S187 WeakPolarHBondContact O-CA 3.45Å; Y181-S187 PolarHBondContact O-N 3.24Å; Y181-R190 HydrophobicContact CD1-CB 3.76Å; Y181-R190 HydrophobicContact CD1-CG 4.48Å; Y181-R190 HydrophobicContact CD2-CB 4.36Å; Y181-R190 HydrophobicContact CE1-CB 4.2Å; Y181-R190 HydrophobicContact CG-CB 3.87Å; Y181-L194 HydrophobicContact CD2-CD2 4.02Å; Y181-L194 HydrophobicContact CE2-CD2 3.98Å
182	Y	97.4	Very high	97.4	Very high	44 Å²	44	30.2 Å²	30.2	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-71.7	-57.8	179.6	-173.9	-82.5	0	0	0	111.5	S178 V179 F180 N186 P188 W231 D234 L247	S178-Y182 PolarHBondContact O-N 3.4Å; V179-Y182 PolarHBondContact O-N 3.29Å; V179-Y182 VanDerWaalsContact O-N 3.17Å; F180-Y182 VanDerWaalsContact C-N 3.26Å; F180-Y182 PolarHBondContact O-N 3.5Å; Y182-N186 VanDerWaalsContact O-CA 3.31Å; Y182-N186 WeakPolarHBondContact O-CA 3.49Å; Y182-N186 PolarHBondContact O-N 2.9Å; Y182-P188 HydrophobicContact CD2-CB 3.71Å; Y182-P188 HydrophobicContact CE2-CB 3.93Å; Y182-W231 AromaticContact CD1-NE1 3.77Å; Y182-W231 HydrophobicContact CD2-CB 4.05Å; Y182-W231 AromaticContact CD2-CD1 3.27Å; Y182-W231 AromaticContact CD2-CD2 3.74Å; Y182-W231 HydrophobicContact CD2-CD2 3.74Å; Y182-W231 AromaticContact CD2-CE2 3.78Å; Y182-W231 AromaticContact CD2-CG 3.41Å; Y182-W231 HydrophobicContact CD2-CG 3.41Å; Y182-W231 VanDerWaalsContact CD2-CG 3.41Å; Y182-W231 AromaticContact CD2-NE1 3.47Å; Y182-W231 AromaticContact CE1-NE1 3.96Å; Y182-W231 HydrophobicContact CE2-CB 3.87Å; Y182-W231 AromaticContact CE2-CD1 3.08Å; Y182-W231 HydrophobicContact CE2-CD2 4.28Å; Y182-W231 AromaticContact CE2-CG 3.47Å; Y182-W231 HydrophobicContact CE2-CG 3.47Å; Y182-W231 VanDerWaalsContact CE2-CG 3.47Å; Y182-W231 AromaticContact CE2-NE1 3.67Å; Y182-W231 AromaticContact CG-CD1 3.84Å; Y182-W231 HydrophobicContact CG-CD2 4.2Å; Y182-W231 AromaticContact CG-CE2 3.78Å; Y182-W231 HydrophobicContact CG-CG 4.22Å; Y182-W231 HydrophobicContact CG-CZ2 4.34Å; Y182-W231 AromaticContact CG-NE1 3.53Å; Y182-W231 AromaticContact CZ-CD1 3.51Å; Y182-W231 AromaticContact CZ-NE1 3.9Å; Y182-D234 PolarHBondContact OH-OD2 3.28Å; Y182-L247 HydrophobicContact CD1-CD1 3.31Å; Y182-L247 HydrophobicContact CE1-CD1 3.69Å; Y182-L247 HydrophobicContact CG-CD1 4.08Å
183	E	95.3	Very high	97.4	Very high	65 Å²	65	37.4 Å²	37.4	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-79.2	-39.6	-169.4	-63.2	-170.7	139.7	0	0	114.1	R130 V179 L247	R130-E183 IonicContact NH1-OE2 3.76Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.35Å; V179-E183 PolarHBondContact O-N 2.94Å; E183-L247 HydrophobicContact CG-CD1 3.49Å; E183-L247 VanDerWaalsContact CG-CD1 3.49Å; E183-L247 WeakPolarHBondContact OE1-CD1 3.34Å
184	I	97.4	Very high	97.3	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.087	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-45.5	-171.5	-54.5	-53.5	0	0	0	111.2	R130 A133 E134 A145 F180	R130-I184 HydrophobicContact CG-CD1 4.26Å; R130-I184 HydrophobicContact CG-CG1 3.83Å; A133-I184 HydrophobicContact CB-CD1 4.13Å; A133-I184 HydrophobicContact CB-CG1 4.43Å; A133-I184 HydrophobicContact CB-CG2 3.79Å; E134-I184 HydrophobicContact CG-CD1 4.1Å; A145-I184 HydrophobicContact CB-CG2 3.73Å; F180-I184 HydrophobicContact CD2-CB 3.7Å; F180-I184 HydrophobicContact CD2-CG1 3.72Å; F180-I184 HydrophobicContact CD2-CG2 4.16Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.1Å; F180-I184 HydrophobicContact CE2-CG2 3.65Å; F180-I184 HydrophobicContact CZ-CG2 4.43Å; F180-I184 WeakPolarHBondContact O-CB 3.4Å; F180-I184 PolarHBondContact O-N 2.9Å
185	L	97.4	Very high	97.3	Very high	54 Å²	54	38.8 Å²	38.8	28%	0.283	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.3	-178.6	-62.8	-170.9	0	0	0	113.9	A145 F180 Y181 S187	A145-L185 HydrophobicContact CB-CD2 4.45Å; F180-L185 HydrophobicContact CD1-CD1 4.21Å; F180-L185 HydrophobicContact CD1-CG 4.34Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.34Å; F180-L185 HydrophobicContact CE1-CG 3.58Å; F180-L185 HydrophobicContact CE2-CG 4.42Å; F180-L185 HydrophobicContact CZ-CD1 3.79Å; F180-L185 HydrophobicContact CZ-CD2 3.93Å; F180-L185 HydrophobicContact CZ-CG 3.62Å; F180-L185 PolarHBondContact O-N 2.97Å; Y181-L185 HydrophobicContact CD1-CB 4.48Å; Y181-L185 HydrophobicContact CD1-CD1 3.72Å; Y181-L185 HydrophobicContact CE1-CD1 3.8Å; Y181-L185 CarbonylContact O-C 3.52Å; L185-S187 PolarHBondContact O-N 2.83Å; L185-S187 VanDerWaalsContact O-N 3.09Å; L185-S187 PolarHBondContact O-OG 2.79Å
186	N	95.8	Very high	97.3	Very high	139 Å²	139	44.4 Å²	44.4	74%	0.743	21%	0.208	S	C	*	.			trans	46.9	42.4	-178.7	-167.1	44.3	0	0	0	112	Y181 Y182 P188	Y181-N186 PolarHBondContact O-N 3.3Å; Y182-N186 VanDerWaalsContact O-CA 3.31Å; Y182-N186 WeakPolarHBondContact O-CA 3.49Å; Y182-N186 PolarHBondContact O-N 2.9Å; N186-P188 VanDerWaalsContact O-CD 3.27Å; N186-P188 WeakPolarHBondContact O-CD 3.47Å
187	S	96.6	Very high	97.3	Very high	23 Å²	23	46.6 Å²	46.6	16%	0.161	23%	0.226	C	C	.	.			trans	-120.6	65.4	-174.2	-63.9	0	0	0	0	109.7	Y181 L185 D189 R190 A191	Y181-S187 WeakPolarHBondContact O-CA 3.45Å; Y181-S187 PolarHBondContact O-N 3.24Å; L185-S187 PolarHBondContact O-N 2.83Å; L185-S187 VanDerWaalsContact O-N 3.09Å; L185-S187 PolarHBondContact O-OG 2.79Å; S187-D189 PolarHBondContact O-N 3.3Å; S187-R190 WeakPolarHBondContact O-CB 3.33Å; S187-R190 PolarHBondContact O-N 3.33Å; S187-A191 PolarHBondContact O-N 2.98Å
188	P	95.3	Very high	97.2	Very high	32 Å²	32	47.1 Å²	47.1	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-28.3	-174.1	28.5	-38	0	0	0	112	Y182 N186 R190 A191 C192 M235	Y182-P188 HydrophobicContact CD2-CB 3.71Å; Y182-P188 HydrophobicContact CE2-CB 3.93Å; N186-P188 VanDerWaalsContact O-CD 3.27Å; N186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-R190 VanDerWaalsContact C-N 3.31Å; P188-R190 PolarHBondContact O-N 2.95Å; P188-A191 PolarHBondContact O-N 3.47Å; P188-C192 WeakPolarHBondContact O-CB 3.13Å; P188-C192 PolarHBondContact O-N 3.39Å; P188-C192 PolarHBondContact O-SG 3.38Å; P188-M235 HydrophobicContact CB-CE 3.46Å; P188-M235 VanDerWaalsContact CB-CE 3.46Å; P188-M235 HydrophobicContact CG-CE 3.59Å
189	D	95.6	Very high	97.2	Very high	73 Å²	73	49 Å²	49	39%	0.39	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-34.1	174.5	68	-65.6	0	0	0	112.5	S187 R193 M235	S187-D189 PolarHBondContact O-N 3.3Å; D189-R193 WeakPolarHBondContact O-CB 3.35Å; D189-R193 WeakPolarHBondContact O-CG 3.22Å; D189-R193 PolarHBondContact O-N 2.91Å; D189-R193 PolarHBondContact O-NE 2.87Å; D189-R193 IonicContact OD2-CZ 2.66Å; D189-R193 IonicContact OD2-NE 3.61Å; D189-R193 IonicContact OD2-NH2 2.7Å; D189-R193 PolarHBondContact OD2-NH2 2.84Å; D189-M235 HydrophobicContact CB-CE 4.13Å
190	R	97.2	Very high	97.2	Very high	120 Å²	120	52.6 Å²	52.6	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-77.6	-40.5	175	-68.2	-175.9	-178.5	-172.3	0.7	111	Y181 S187 P188 R193 L194	Y181-R190 HydrophobicContact CD1-CB 3.76Å; Y181-R190 HydrophobicContact CD1-CG 4.48Å; Y181-R190 HydrophobicContact CD2-CB 4.36Å; Y181-R190 HydrophobicContact CE1-CB 4.2Å; Y181-R190 HydrophobicContact CG-CB 3.87Å; S187-R190 WeakPolarHBondContact O-CB 3.33Å; S187-R190 PolarHBondContact O-N 3.33Å; P188-R190 VanDerWaalsContact C-N 3.31Å; P188-R190 PolarHBondContact O-N 2.95Å; R190-R193 PolarHBondContact O-N 2.89Å; R190-L194 WeakPolarHBondContact O-CB 3.49Å; R190-L194 PolarHBondContact O-N 3.45Å
191	A	97.2	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-54	175.7	0	0	0	0	0	111	S178 S187 P188 R193 L194 A195 W231	S178-A191 WeakPolarHBondContact O-CB 3.32Å; S187-A191 PolarHBondContact O-N 2.98Å; P188-A191 PolarHBondContact O-N 3.47Å; A191-R193 PolarHBondContact O-N 2.7Å; A191-L194 PolarHBondContact O-N 3.46Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 3.43Å; A191-W231 HydrophobicContact CB-CE3 3.93Å; A191-W231 HydrophobicContact CB-CH2 4.38Å; A191-W231 HydrophobicContact CB-CZ3 3.85Å
192	C	97.4	Very high	97.1	Very high	19 Å²	19	55 Å²	55	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-40.6	179.5	-65.4	0	0	0	0	112.5	P188 L194 K196 L228	P188-C192 WeakPolarHBondContact O-CB 3.13Å; P188-C192 PolarHBondContact O-N 3.39Å; P188-C192 PolarHBondContact O-SG 3.38Å; C192-L194 PolarHBondContact O-N 2.97Å; C192-K196 WeakPolarHBondContact O-CB 3.2Å; C192-K196 PolarHBondContact O-N 3.01Å; C192-L228 HydrophobicContact CB-CD2 3.98Å; C192-L228 WeakPolarHBondContact O-CD2 3.4Å
193	R	97.6	Very high	97	Very high	153 Å²	153	57 Å²	57	58%	0.577	29%	0.287	S	S	*	.	H	α-helix	trans	-61.9	-43.6	177	-80.5	-177.3	-71.6	149	-13.6	112.2	D189 R190 A191 A197	D189-R193 WeakPolarHBondContact O-CB 3.35Å; D189-R193 WeakPolarHBondContact O-CG 3.22Å; D189-R193 PolarHBondContact O-N 2.91Å; D189-R193 PolarHBondContact O-NE 2.87Å; D189-R193 IonicContact OD2-CZ 2.66Å; D189-R193 IonicContact OD2-NE 3.61Å; D189-R193 IonicContact OD2-NH2 2.7Å; D189-R193 PolarHBondContact OD2-NH2 2.84Å; R190-R193 PolarHBondContact O-N 2.89Å; A191-R193 PolarHBondContact O-N 2.7Å; R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.15Å; R193-A197 PolarHBondContact O-N 3.12Å
194	L	98.1	Very high	97	Very high	41 Å²	41	57.9 Å²	57.9	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-50.6	179.5	179.2	62.2	0	0	0	111.6	F177 Y181 R190 A191 C192 K196 A197 A198	F177-L194 HydrophobicContact CB-CD2 3.77Å; F177-L194 HydrophobicContact CD1-CD2 3.58Å; F177-L194 HydrophobicContact CE1-CD2 4.37Å; F177-L194 HydrophobicContact CG-CD2 3.68Å; Y181-L194 HydrophobicContact CD2-CD2 4.02Å; Y181-L194 HydrophobicContact CE2-CD2 3.98Å; R190-L194 WeakPolarHBondContact O-CB 3.49Å; R190-L194 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 3.46Å; C192-L194 PolarHBondContact O-N 2.97Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.17Å; L194-A197 PolarHBondContact O-N 3.22Å; L194-A198 PolarHBondContact O-N 2.81Å
195	A	97.6	Very high	96.9	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-42.2	-179.2	0	0	0	0	0	111.6	A191 A198 F199 L224 L228 W231	A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 3.43Å; A195-A198 PolarHBondContact O-N 3.36Å; A195-F199 WeakPolarHBondContact O-CB 3.45Å; A195-F199 PolarHBondContact O-N 3.26Å; A195-L224 HydrophobicContact CB-CD2 3.75Å; A195-L228 HydrophobicContact CB-CD1 4.16Å; A195-L228 HydrophobicContact CB-CD2 3.85Å; A195-L228 HydrophobicContact CB-CG 3.82Å; A195-W231 HydrophobicContact CB-CZ3 4.18Å
196	K	97.6	Very high	96.6	Very high	119 Å²	119	60.1 Å²	60.1	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-46.1	177.4	-179	167.8	-177.1	159.7	0	112.3	C192 L194 A198 F199 D200 L228	C192-K196 WeakPolarHBondContact O-CB 3.2Å; C192-K196 PolarHBondContact O-N 3.01Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.17Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.44Å; K196-F199 PolarHBondContact O-N 3.49Å; K196-D200 WeakPolarHBondContact CE-OD2 3.33Å; K196-D200 WeakPolarHBondContact CG-OD2 3.42Å; K196-D200 WeakPolarHBondContact O-CB 3.37Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 2.91Å; K196-L228 HydrophobicContact CB-CD1 4.21Å; K196-L228 HydrophobicContact CB-CD2 4.16Å
197	A	98.1	Very high	96.3	Very high	46 Å²	46	61.6 Å²	61.6	38%	0.38	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178	0	0	0	0	0	111.4	R193 L194 F199 D200 D201	R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.15Å; R193-A197 PolarHBondContact O-N 3.12Å; L194-A197 PolarHBondContact O-N 3.22Å; A197-F199 PolarHBondContact O-N 2.97Å; A197-D200 PolarHBondContact O-N 3.05Å; A197-D201 WeakPolarHBondContact O-CB 3.26Å; A197-D201 PolarHBondContact O-N 2.94Å
198	A	98	Very high	95.8	Very high	17 Å²	17	65.4 Å²	65.4	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-40.4	177.7	0	0	0	0	0	112.9	A174 L194 A195 K196 A202 L224	A174-A198 HydrophobicContact CB-CB 3.35Å; L194-A198 PolarHBondContact O-N 2.81Å; A195-A198 PolarHBondContact O-N 3.36Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.44Å; A198-A202 VanDerWaalsContact O-CB 3.26Å; A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.05Å; A198-L224 HydrophobicContact CB-CD1 4.36Å
199	F	97.5	Very high	95.4	Very high	39 Å²	39	65.4 Å²	65.4	17%	0.171	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-47.2	177	-175	-97.7	0	0	0	111.9	A195 K196 A197 A202 I203 M221 L224 R225	A195-F199 WeakPolarHBondContact O-CB 3.45Å; A195-F199 PolarHBondContact O-N 3.26Å; K196-F199 PolarHBondContact O-N 3.49Å; A197-F199 PolarHBondContact O-N 2.97Å; F199-A202 PolarHBondContact O-N 3.41Å; F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.08Å; F199-I203 HydrophobicContact CE1-CG1 4.1Å; F199-I203 HydrophobicContact CE2-CD1 4.28Å; F199-I203 HydrophobicContact CG-CD1 4.43Å; F199-I203 HydrophobicContact CZ-CD1 3.46Å; F199-I203 VanDerWaalsContact CZ-CD1 3.46Å; F199-I203 HydrophobicContact CZ-CG1 4.29Å; F199-I203 WeakPolarHBondContact O-CB 3.4Å; F199-I203 WeakPolarHBondContact O-CG1 3.31Å; F199-I203 PolarHBondContact O-N 3.16Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.46Å; F199-M221 WeakPolarHBondContact CD2-O 3.4Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 HydrophobicContact CE2-CE 4.43Å; F199-M221 VanDerWaalsContact CE2-O 3.26Å; F199-M221 WeakPolarHBondContact CE2-O 3.37Å; F199-L224 HydrophobicContact CD2-CB 4.4Å; F199-R225 HydrophobicContact CD2-CB 4.4Å; F199-R225 HydrophobicContact CE2-CB 3.85Å; F199-R225 HydrophobicContact CZ-CB 4.17Å; F199-R225 HydrophobicContact CZ-CG 4.33Å
200	D	97.7	Very high	95	Very high	77 Å²	77	64.8 Å²	64.8	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-43.7	179.9	-69.9	-17	0	0	0	111.2	K196 A197 A202 I203 A204	K196-D200 WeakPolarHBondContact CE-OD2 3.33Å; K196-D200 WeakPolarHBondContact CG-OD2 3.42Å; K196-D200 WeakPolarHBondContact O-CB 3.37Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 2.91Å; A197-D200 PolarHBondContact O-N 3.05Å; D200-A202 PolarHBondContact O-N 2.92Å; D200-I203 PolarHBondContact O-N 3.44Å; D200-A204 PolarHBondContact O-N 3.39Å; D200-A204 VanDerWaalsContact O-N 3.11Å
201	D	97	Very high	94.4	Very high	78 Å²	78	68 Å²	68	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-42.8	176.3	-71.7	-11.9	0	0	0	111.4	P165 R170 A197 A204	P165-D201 HydrophobicContact CB-CB 3.93Å; P165-D201 HydrophobicContact CG-CB 4.44Å; R170-D201 IonicContact NH2-OD2 3.95Å; A197-D201 WeakPolarHBondContact O-CB 3.26Å; A197-D201 PolarHBondContact O-N 2.94Å; D201-A204 PolarHBondContact O-N 3.26Å
202	A	96.4	Very high	93.6	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-72	-36.5	179.6	0	0	0	0	0	112.7	T166 L171 A198 F199 D200 A204 E205 L206 M221	T166-A202 WeakPolarHBondContact CG2-O 3.4Å; L171-A202 HydrophobicContact CD2-CB 3.69Å; A198-A202 VanDerWaalsContact O-CB 3.26Å; A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.05Å; F199-A202 PolarHBondContact O-N 3.41Å; D200-A202 PolarHBondContact O-N 2.92Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 2.67Å; A202-E205 CarbonylContact O-C 3.59Å; A202-E205 PolarHBondContact O-N 3.28Å; A202-L206 WeakPolarHBondContact O-CA 3.36Å; A202-L206 WeakPolarHBondContact O-CB 3.09Å; A202-L206 PolarHBondContact O-N 3.31Å; A202-M221 HydrophobicContact CB-CE 3.89Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.88Å
203	I	95.6	Very high	93.1	Very high	84 Å²	84	77 Å²	77	43%	0.431	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-43	172.6	-80.5	-174.1	0	0	0	111	F199 D200 E205 L206 M221	F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.08Å; F199-I203 HydrophobicContact CE1-CG1 4.1Å; F199-I203 HydrophobicContact CE2-CD1 4.28Å; F199-I203 HydrophobicContact CG-CD1 4.43Å; F199-I203 HydrophobicContact CZ-CD1 3.46Å; F199-I203 VanDerWaalsContact CZ-CD1 3.46Å; F199-I203 HydrophobicContact CZ-CG1 4.29Å; F199-I203 WeakPolarHBondContact O-CB 3.4Å; F199-I203 WeakPolarHBondContact O-CG1 3.31Å; F199-I203 PolarHBondContact O-N 3.16Å; D200-I203 PolarHBondContact O-N 3.44Å; I203-E205 PolarHBondContact O-N 2.62Å; I203-L206 PolarHBondContact O-N 3.28Å; I203-M221 HydrophobicContact CB-CE 4.38Å; I203-M221 HydrophobicContact CG1-CE 3.45Å; I203-M221 VanDerWaalsContact CG1-CE 3.45Å
204	A	95.6	Very high	92.8	Very high	84 Å²	84	75.3 Å²	75.3	69%	0.694	40%	0.403	S	S	*	.	H	α-helix	trans	-62.1	-24.9	-177.2	0	0	0	0	0	113.3	D200 D201 A202	D200-A204 PolarHBondContact O-N 3.39Å; D200-A204 VanDerWaalsContact O-N 3.11Å; D201-A204 PolarHBondContact O-N 3.26Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 2.67Å
205	E	94.8	Very high	92.4	Very high	83 Å²	83	80.8 Å²	80.8	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-115.5	5.8	-178.6	-65.8	-173.3	-157	0	0	113.4	P165 T166 A202 I203 D207 T208	P165-E205 WeakPolarHBondContact CD-OE2 3.32Å; T166-E205 HydrophobicContact CG2-CB 3.87Å; A202-E205 CarbonylContact O-C 3.59Å; A202-E205 PolarHBondContact O-N 3.28Å; I203-E205 PolarHBondContact O-N 2.62Å; E205-D207 VanDerWaalsContact C-N 3.25Å; E205-D207 PolarHBondContact O-N 2.97Å; E205-T208 WeakPolarHBondContact O-CB 3.46Å; E205-T208 PolarHBondContact O-N 3.46Å; E205-T208 PolarHBondContact O-OG1 3.46Å
206	L	91.3	Very high	92.1	Very high	35 Å²	35	84.8 Å²	84.8	18%	0.183	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35.6	-172.4	-171.8	64.7	0	0	0	112.7	A202 I203 T208 L209 Y214 T218 M221	A202-L206 WeakPolarHBondContact O-CA 3.36Å; A202-L206 WeakPolarHBondContact O-CB 3.09Å; A202-L206 PolarHBondContact O-N 3.31Å; I203-L206 PolarHBondContact O-N 3.28Å; L206-T208 PolarHBondContact O-N 3.06Å; L206-T208 VanDerWaalsContact O-N 3.12Å; L206-L209 HydrophobicContact CD1-CD1 3.4Å; L206-L209 HydrophobicContact CG-CD1 4.45Å; L206-L209 WeakPolarHBondContact O-CB 3.37Å; L206-L209 PolarHBondContact O-N 3.45Å; L206-Y214 HydrophobicContact CD1-CE2 4.41Å; L206-Y214 HydrophobicContact CG-CE2 4.43Å; L206-T218 HydrophobicContact CD1-CG2 4.09Å; L206-M221 HydrophobicContact CD1-CE 4.26Å; L206-M221 HydrophobicContact CD1-SD 3.77Å; L206-M221 HydrophobicContact CD2-CE 4.37Å
207	D	90.2	Very high	91.9	Very high	170 Å²	170	79.1 Å²	79.1	91%	0.909	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-66.4	-10.9	179.1	-68.2	-24.7	0	0	0	113.6	E205	E205-D207 VanDerWaalsContact C-N 3.25Å; E205-D207 PolarHBondContact O-N 2.97Å
208	T	86.9	Confident	91.8	Very high	104 Å²	104	78.9 Å²	78.9	64%	0.638	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-94	-7.4	179.9	72.3	0	0	0	0	113.7	E205 L206	E205-T208 WeakPolarHBondContact O-CB 3.46Å; E205-T208 PolarHBondContact O-N 3.46Å; E205-T208 PolarHBondContact O-OG1 3.46Å; L206-T208 PolarHBondContact O-N 3.06Å; L206-T208 VanDerWaalsContact O-N 3.12Å
209	L	86.7	Confident	91.6	Very high	31 Å²	31	81.2 Å²	81.2	16%	0.162	43%	0.426	C	S	.	.			trans	-66.7	142.8	-177.2	-92.8	154	0	0	0	112.6	T166 L206 Y214	T166-L209 HydrophobicContact CG2-CD1 3.77Å; T166-L209 HydrophobicContact CG2-CG 4.05Å; L206-L209 HydrophobicContact CD1-CD1 3.4Å; L206-L209 HydrophobicContact CG-CD1 4.45Å; L206-L209 WeakPolarHBondContact O-CB 3.37Å; L206-L209 PolarHBondContact O-N 3.45Å; L209-Y214 HydrophobicContact CB-CD2 4.22Å
210	S	85.5	Confident	91.5	Very high	61 Å²	61	80.2 Å²	80.2	43%	0.427	42%	0.422	S	S	.	.			trans	-71.2	155.6	166.2	65.6	0	0	0	0	110.9	E212 S213 Y214	S210-E212 PolarHBondContact O-N 3.06Å; S210-S213 PolarHBondContact O-N 2.85Å; S210-S213 PolarHBondContact OG-N 2.93Å; S210-Y214 WeakPolarHBondContact O-CB 3.37Å; S210-Y214 PolarHBondContact O-N 3.43Å
211	E	84.8	Confident	91.5	Very high	186 Å²	186	77 Å²	77	87%	0.869	41%	0.405	S	S	*	.	H	α-helix	trans	-58.4	-33.4	175.8	-169.2	175	-176.6	0	0	112.2
212	E	82.2	Confident	91.4	Very high	172 Å²	172	77.6 Å²	77.6	80%	0.804	41%	0.405	S	S	*	.	H	α-helix	trans	-64.2	-43.1	179.5	-174	176.4	-170.6	0	0	112.6	S210	S210-E212 PolarHBondContact O-N 3.06Å
213	S	86.8	Confident	91.4	Very high	36 Å²	36	77.8 Å²	77.8	25%	0.252	41%	0.406	S	S	.	.	H	α-helix	trans	-89.7	-17.1	-179.7	-58.3	0	0	0	0	113.6	S210 K215 D216 S217	S210-S213 PolarHBondContact O-N 2.85Å; S210-S213 PolarHBondContact OG-N 2.93Å; S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 3.24Å; S213-D216 PolarHBondContact O-N 3.38Å; S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 2.7Å; S213-S217 PolarHBondContact O-OG 3Å
214	Y	89.5	Confident	91.5	Very high	118 Å²	118	73.8 Å²	73.8	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-56.7	-44.9	-173.6	-171.2	-92.1	0	0	0	112.7	L206 L209 S210 T218	L206-Y214 HydrophobicContact CD1-CE2 4.41Å; L206-Y214 HydrophobicContact CG-CE2 4.43Å; L209-Y214 HydrophobicContact CB-CD2 4.22Å; S210-Y214 WeakPolarHBondContact O-CB 3.37Å; S210-Y214 PolarHBondContact O-N 3.43Å; Y214-T218 HydrophobicContact CD1-CG2 4.08Å; Y214-T218 HydrophobicContact CD2-CG2 4.42Å; Y214-T218 HydrophobicContact CE1-CG2 3.79Å; Y214-T218 HydrophobicContact CE2-CG2 4.15Å; Y214-T218 HydrophobicContact CG-CG2 4.39Å; Y214-T218 WeakPolarHBondContact O-CB 3.33Å; Y214-T218 VanDerWaalsContact O-CG2 3.27Å; Y214-T218 WeakPolarHBondContact O-CG2 3.45Å; Y214-T218 PolarHBondContact O-N 3.39Å; Y214-T218 PolarHBondContact O-OG1 3.11Å
215	K	91.2	Very high	91.5	Very high	156 Å²	156	75.2 Å²	75.2	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-62.4	-49.5	-178.4	-175.1	-173.7	173.6	-167.8	0	111.9	S213 T218 L219	S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 3.24Å; K215-T218 PolarHBondContact O-OG1 2.89Å; K215-L219 WeakPolarHBondContact O-CB 3.04Å; K215-L219 PolarHBondContact O-N 2.88Å; K215-L219 VanDerWaalsContact O-N 3.12Å
216	D	91	Very high	91.5	Very high	85 Å²	85	73.6 Å²	73.6	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-70	-42.5	-175.9	-66	-15.4	0	0	0	111.1	P168 S213 L219 I220	P168-D216 HydrophobicContact CB-CB 4.14Å; P168-D216 HydrophobicContact CG-CB 4.03Å; S213-D216 PolarHBondContact O-N 3.38Å; D216-L219 PolarHBondContact O-N 2.66Å; D216-I220 VanDerWaalsContact O-CG1 3.29Å; D216-I220 WeakPolarHBondContact O-CG1 3.24Å; D216-I220 PolarHBondContact O-N 3.12Å; D216-I220 VanDerWaalsContact O-N 3.14Å
217	S	94.1	Very high	91.6	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-43.7	178	-62.6	0	0	0	0	112.2	T166 P168 S213 I220 M221	T166-S217 WeakPolarHBondContact O-CB 3.34Å; T166-S217 PolarHBondContact O-OG 3.12Å; P168-S217 WeakPolarHBondContact CD-OG 3.42Å; P168-S217 WeakPolarHBondContact CG-OG 3.5Å; S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 2.7Å; S213-S217 PolarHBondContact O-OG 3Å; S217-I220 PolarHBondContact O-N 3.37Å; S217-M221 WeakPolarHBondContact O-CB 3.35Å; S217-M221 WeakPolarHBondContact O-CG 3.17Å; S217-M221 PolarHBondContact O-N 3.39Å
218	T	94.4	Very high	91.8	Very high	41 Å²	41	65.2 Å²	65.2	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-35.1	-179.9	52	0	0	0	0	112.6	L206 Y214 K215 M221 Q222	L206-T218 HydrophobicContact CD1-CG2 4.09Å; Y214-T218 HydrophobicContact CD1-CG2 4.08Å; Y214-T218 HydrophobicContact CD2-CG2 4.42Å; Y214-T218 HydrophobicContact CE1-CG2 3.79Å; Y214-T218 HydrophobicContact CE2-CG2 4.15Å; Y214-T218 HydrophobicContact CG-CG2 4.39Å; Y214-T218 WeakPolarHBondContact O-CB 3.33Å; Y214-T218 VanDerWaalsContact O-CG2 3.27Å; Y214-T218 WeakPolarHBondContact O-CG2 3.45Å; Y214-T218 PolarHBondContact O-N 3.39Å; Y214-T218 PolarHBondContact O-OG1 3.11Å; K215-T218 PolarHBondContact O-OG1 2.89Å; T218-M221 PolarHBondContact O-N 3.04Å; T218-Q222 PolarHBondContact O-N 3.18Å
219	L	94.5	Very high	92.2	Very high	66 Å²	66	64.7 Å²	64.7	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-49.4	171.9	-175.9	64.4	0	0	0	111	K215 D216 M221 Q222 L223 E253	K215-L219 WeakPolarHBondContact O-CB 3.04Å; K215-L219 PolarHBondContact O-N 2.88Å; K215-L219 VanDerWaalsContact O-N 3.12Å; D216-L219 PolarHBondContact O-N 2.66Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.29Å; L219-Q222 WeakPolarHBondContact O-CB 3.42Å; L219-Q222 PolarHBondContact O-N 3.08Å; L219-Q222 VanDerWaalsContact O-N 3.16Å; L219-L223 PolarHBondContact O-N 2.96Å; L219-E253 VanDerWaalsContact CD1-OE2 3.27Å; L219-E253 WeakPolarHBondContact CD1-OE2 3.5Å
220	I	96	Very high	92.4	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-36.7	179.9	-59.4	164.9	0	0	0	111.5	P168 L171 L175 D216 S217 Q222 L223 L224	P168-I220 HydrophobicContact CB-CD1 4.1Å; P168-I220 VanDerWaalsContact O-CD1 3.29Å; P168-I220 WeakPolarHBondContact O-CD1 3.47Å; L171-I220 HydrophobicContact CB-CB 4.13Å; L171-I220 HydrophobicContact CB-CD1 4.4Å; L171-I220 HydrophobicContact CB-CG2 3.63Å; L175-I220 HydrophobicContact CB-CG2 4.25Å; L175-I220 HydrophobicContact CD2-CG2 4.12Å; D216-I220 VanDerWaalsContact O-CG1 3.29Å; D216-I220 WeakPolarHBondContact O-CG1 3.24Å; D216-I220 PolarHBondContact O-N 3.12Å; D216-I220 VanDerWaalsContact O-N 3.14Å; S217-I220 PolarHBondContact O-N 3.37Å; I220-Q222 VanDerWaalsContact C-N 3.3Å; I220-Q222 PolarHBondContact O-N 2.92Å; I220-L223 WeakPolarHBondContact O-CB 3.29Å; I220-L223 PolarHBondContact O-N 3.44Å; I220-L224 WeakPolarHBondContact O-CG 3.32Å; I220-L224 PolarHBondContact O-N 2.98Å
221	M	96.5	Very high	92.7	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-36.9	174.1	-72.4	172.4	72.6	0	0	111.9	L171 F199 A202 I203 L206 S217 T218 L219 L224 R225	L171-M221 HydrophobicContact CD1-CG 3.93Å; L171-M221 HydrophobicContact CD1-SD 4.38Å; L171-M221 HydrophobicContact CD2-CG 4.02Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.46Å; F199-M221 WeakPolarHBondContact CD2-O 3.4Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 HydrophobicContact CE2-CE 4.43Å; F199-M221 VanDerWaalsContact CE2-O 3.26Å; F199-M221 WeakPolarHBondContact CE2-O 3.37Å; A202-M221 HydrophobicContact CB-CE 3.89Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.88Å; I203-M221 HydrophobicContact CB-CE 4.38Å; I203-M221 HydrophobicContact CG1-CE 3.45Å; I203-M221 VanDerWaalsContact CG1-CE 3.45Å; L206-M221 HydrophobicContact CD1-CE 4.26Å; L206-M221 HydrophobicContact CD1-SD 3.77Å; L206-M221 HydrophobicContact CD2-CE 4.37Å; S217-M221 WeakPolarHBondContact O-CB 3.35Å; S217-M221 WeakPolarHBondContact O-CG 3.17Å; S217-M221 PolarHBondContact O-N 3.39Å; T218-M221 PolarHBondContact O-N 3.04Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.29Å; M221-L224 PolarHBondContact O-N 3.28Å; M221-R225 PolarHBondContact O-N 3.05Å
222	Q	95.9	Very high	93	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-47.9	172.7	175.4	172	-12.1	0	0	111	T218 L219 I220 L224 R225 D226	T218-Q222 PolarHBondContact O-N 3.18Å; L219-Q222 WeakPolarHBondContact O-CB 3.42Å; L219-Q222 PolarHBondContact O-N 3.08Å; L219-Q222 VanDerWaalsContact O-N 3.16Å; I220-Q222 VanDerWaalsContact C-N 3.3Å; I220-Q222 PolarHBondContact O-N 2.92Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.41Å; Q222-R225 WeakPolarHBondContact O-CB 3.22Å; Q222-R225 PolarHBondContact O-N 3.35Å; Q222-R225 VanDerWaalsContact O-N 3.09Å; Q222-D226 WeakPolarHBondContact CG-OD2 3.19Å; Q222-D226 PolarHBondContact O-N 3.46Å
223	L	95.9	Very high	93.2	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-42.8	176.2	-68.7	179.4	0	0	0	112.9	L175 L219 I220 R225 D226 N227 Q248 E253	L175-L223 HydrophobicContact CD1-CB 4.1Å; L175-L223 HydrophobicContact CD2-CB 3.63Å; L175-L223 HydrophobicContact CD2-CD1 3.66Å; L175-L223 HydrophobicContact CD2-CG 4.3Å; L219-L223 PolarHBondContact O-N 2.96Å; I220-L223 WeakPolarHBondContact O-CB 3.29Å; I220-L223 PolarHBondContact O-N 3.44Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.87Å; L223-D226 PolarHBondContact O-N 2.93Å; L223-N227 WeakPolarHBondContact O-CB 3.44Å; L223-N227 PolarHBondContact O-N 3.45Å; L223-Q248 HydrophobicContact CD2-CB 3.66Å; L223-Q248 HydrophobicContact CD2-CG 4.21Å; L223-E253 HydrophobicContact CD2-CG 4.03Å; L223-E253 VanDerWaalsContact CD2-OE1 3.29Å; L223-E253 WeakPolarHBondContact CD2-OE1 3.42Å
224	L	96.8	Very high	93.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-45	174.5	-80.1	167.6	0	0	0	111.8	L171 L175 A195 A198 F199 I220 M221 Q222 L228	L171-L224 HydrophobicContact CD2-CD1 3.95Å; L175-L224 HydrophobicContact CB-CD2 3.95Å; L175-L224 HydrophobicContact CB-CG 4.19Å; L175-L224 HydrophobicContact CD1-CD2 3.99Å; L175-L224 HydrophobicContact CD1-CG 4.16Å; A195-L224 HydrophobicContact CB-CD2 3.75Å; A198-L224 HydrophobicContact CB-CD1 4.36Å; F199-L224 HydrophobicContact CD2-CB 4.4Å; I220-L224 WeakPolarHBondContact O-CG 3.32Å; I220-L224 PolarHBondContact O-N 2.98Å; M221-L224 PolarHBondContact O-N 3.28Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 3.41Å; L224-L228 WeakPolarHBondContact O-CB 3.21Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.43Å
225	R	96	Very high	92.7	Very high	115 Å²	115	50.2 Å²	50.2	43%	0.434	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-44.5	178.7	-175.8	-163.8	67.3	-165.3	-3.7	111.4	F199 M221 Q222 L223 L228 T229	F199-R225 HydrophobicContact CD2-CB 4.4Å; F199-R225 HydrophobicContact CE2-CB 3.85Å; F199-R225 HydrophobicContact CZ-CB 4.17Å; F199-R225 HydrophobicContact CZ-CG 4.33Å; M221-R225 PolarHBondContact O-N 3.05Å; Q222-R225 WeakPolarHBondContact O-CB 3.22Å; Q222-R225 PolarHBondContact O-N 3.35Å; Q222-R225 VanDerWaalsContact O-N 3.09Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.87Å; R225-L228 WeakPolarHBondContact O-CB 3.21Å; R225-L228 PolarHBondContact O-N 3.04Å; R225-T229 PolarHBondContact O-N 3.15Å; R225-T229 PolarHBondContact O-OG1 3.38Å
226	D	95.5	Very high	92.2	Very high	49 Å²	49	48.9 Å²	48.9	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-41.6	-175.9	-64	-7	0	0	0	110.1	Q222 L223 L228 T229 L230	Q222-D226 WeakPolarHBondContact CG-OD2 3.19Å; Q222-D226 PolarHBondContact O-N 3.46Å; L223-D226 PolarHBondContact O-N 2.93Å; D226-L228 PolarHBondContact O-N 2.73Å; D226-T229 PolarHBondContact O-N 2.88Å; D226-L230 PolarHBondContact O-N 2.92Å; D226-L230 VanDerWaalsContact O-N 3.1Å
227	N	94	Very high	91	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-42.6	170	-81.3	-17.9	0	0	0	113.1	L175 L223 T229 L230 W231 Q248	L175-N227 WeakPolarHBondContact CD1-ND2 3.32Å; L223-N227 WeakPolarHBondContact O-CB 3.44Å; L223-N227 PolarHBondContact O-N 3.45Å; N227-T229 VanDerWaalsContact C-N 3.3Å; N227-T229 PolarHBondContact O-N 3.48Å; N227-L230 PolarHBondContact O-N 3.09Å; N227-W231 HydrophobicContact CB-CD2 4.35Å; N227-W231 HydrophobicContact CB-CE3 4.31Å; N227-W231 HydrophobicContact CB-CH2 3.72Å; N227-W231 HydrophobicContact CB-CZ2 3.75Å; N227-W231 HydrophobicContact CB-CZ3 4Å; N227-W231 VanDerWaalsContact O-CD2 3.26Å; N227-W231 PolarHBondContact O-N 3.31Å; N227-Q248 PolarHBondContact ND2-O 3.06Å; N227-Q248 PolarHBondContact OD1-N 2.89Å
228	L	94.5	Very high	89.2	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.131	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-41	176.3	-81.7	167.6	0	0	0	112	C192 A195 K196 L224 R225 D226 T232	C192-L228 HydrophobicContact CB-CD2 3.98Å; C192-L228 WeakPolarHBondContact O-CD2 3.4Å; A195-L228 HydrophobicContact CB-CD1 4.16Å; A195-L228 HydrophobicContact CB-CD2 3.85Å; A195-L228 HydrophobicContact CB-CG 3.82Å; K196-L228 HydrophobicContact CB-CD1 4.21Å; K196-L228 HydrophobicContact CB-CD2 4.16Å; L224-L228 WeakPolarHBondContact O-CB 3.21Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.43Å; R225-L228 WeakPolarHBondContact O-CB 3.21Å; R225-L228 PolarHBondContact O-N 3.04Å; D226-L228 PolarHBondContact O-N 2.73Å; L228-T232 VanDerWaalsContact O-CB 3.23Å; L228-T232 WeakPolarHBondContact O-CB 3.46Å; L228-T232 PolarHBondContact O-N 3.23Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.87Å
229	T	93.8	Very high	87	Confident	94 Å²	94	53.5 Å²	53.5	58%	0.577	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-50.6	176.1	-66.4	0	0	0	0	110.6	R225 D226 N227 T232 S233	R225-T229 PolarHBondContact O-N 3.15Å; R225-T229 PolarHBondContact O-OG1 3.38Å; D226-T229 PolarHBondContact O-N 2.88Å; N227-T229 VanDerWaalsContact C-N 3.3Å; N227-T229 PolarHBondContact O-N 3.48Å; T229-T232 PolarHBondContact O-N 2.65Å; T229-S233 PolarHBondContact O-N 3.19Å; T229-S233 PolarHBondContact O-OG 3.45Å
230	L	90.8	Very high	84.6	Confident	40 Å²	40	57.8 Å²	57.8	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-48.9	-179.3	-177.8	65.5	0	0	0	112.4	D226 N227 T232 S233 D234 L247	D226-L230 PolarHBondContact O-N 2.92Å; D226-L230 VanDerWaalsContact O-N 3.1Å; N227-L230 PolarHBondContact O-N 3.09Å; L230-T232 VanDerWaalsContact C-N 3.29Å; L230-T232 PolarHBondContact O-N 2.98Å; L230-S233 PolarHBondContact O-N 3.3Å; L230-S233 PolarHBondContact O-OG 3.49Å; L230-D234 PolarHBondContact O-N 2.92Å; L230-D234 VanDerWaalsContact O-N 3.09Å; L230-L247 HydrophobicContact CD2-CD2 3.24Å; L230-L247 HydrophobicContact CG-CD2 4.37Å
231	W	92.9	Very high	82.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-29.9	-178.7	-58.5	-23.6	0	0	0	112.9	S178 V179 Y182 A191 A195 N227 M235 L247	S178-W231 VanDerWaalsContact OG-CH2 3.31Å; S178-W231 WeakPolarHBondContact OG-CH2 3.44Å; V179-W231 HydrophobicContact CG2-CH2 4.14Å; V179-W231 HydrophobicContact CG2-CZ2 4.02Å; Y182-W231 AromaticContact CD1-NE1 3.77Å; Y182-W231 HydrophobicContact CD2-CB 4.05Å; Y182-W231 AromaticContact CD2-CD1 3.27Å; Y182-W231 AromaticContact CD2-CD2 3.74Å; Y182-W231 HydrophobicContact CD2-CD2 3.74Å; Y182-W231 AromaticContact CD2-CE2 3.78Å; Y182-W231 AromaticContact CD2-CG 3.41Å; Y182-W231 HydrophobicContact CD2-CG 3.41Å; Y182-W231 VanDerWaalsContact CD2-CG 3.41Å; Y182-W231 AromaticContact CD2-NE1 3.47Å; Y182-W231 AromaticContact CE1-NE1 3.96Å; Y182-W231 HydrophobicContact CE2-CB 3.87Å; Y182-W231 AromaticContact CE2-CD1 3.08Å; Y182-W231 HydrophobicContact CE2-CD2 4.28Å; Y182-W231 AromaticContact CE2-CG 3.47Å; Y182-W231 HydrophobicContact CE2-CG 3.47Å; Y182-W231 VanDerWaalsContact CE2-CG 3.47Å; Y182-W231 AromaticContact CE2-NE1 3.67Å; Y182-W231 AromaticContact CG-CD1 3.84Å; Y182-W231 HydrophobicContact CG-CD2 4.2Å; Y182-W231 AromaticContact CG-CE2 3.78Å; Y182-W231 HydrophobicContact CG-CG 4.22Å; Y182-W231 HydrophobicContact CG-CZ2 4.34Å; Y182-W231 AromaticContact CG-NE1 3.53Å; Y182-W231 AromaticContact CZ-CD1 3.51Å; Y182-W231 AromaticContact CZ-NE1 3.9Å; A191-W231 HydrophobicContact CB-CE3 3.93Å; A191-W231 HydrophobicContact CB-CH2 4.38Å; A191-W231 HydrophobicContact CB-CZ3 3.85Å; A195-W231 HydrophobicContact CB-CZ3 4.18Å; N227-W231 HydrophobicContact CB-CD2 4.35Å; N227-W231 HydrophobicContact CB-CE3 4.31Å; N227-W231 HydrophobicContact CB-CH2 3.72Å; N227-W231 HydrophobicContact CB-CZ2 3.75Å; N227-W231 HydrophobicContact CB-CZ3 4Å; N227-W231 VanDerWaalsContact O-CD2 3.26Å; N227-W231 PolarHBondContact O-N 3.31Å; W231-M235 WeakPolarHBondContact O-CG 3.5Å; W231-M235 PolarHBondContact O-N 3.44Å; W231-L247 HydrophobicContact CZ2-CD1 4.06Å
232	T	90.2	Very high	79.3	Confident	57 Å²	57	71.7 Å²	71.7	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-73.2	-35.8	177	-57	0	0	0	0	111.5	L228 T229 L230 Q236	L228-T232 VanDerWaalsContact O-CB 3.23Å; L228-T232 WeakPolarHBondContact O-CB 3.46Å; L228-T232 PolarHBondContact O-N 3.23Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 2.87Å; T229-T232 PolarHBondContact O-N 2.65Å; L230-T232 VanDerWaalsContact C-N 3.29Å; L230-T232 PolarHBondContact O-N 2.98Å; T232-Q236 WeakPolarHBondContact O-CG 3.08Å; T232-Q236 PolarHBondContact O-N 2.81Å
233	S	88	Confident	76.7	Confident	37 Å²	37	74.6 Å²	74.6	26%	0.259	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-40.4	173	48.5	0	0	0	0	112.3	T229 L230 M235 Q236 G237	T229-S233 PolarHBondContact O-N 3.19Å; T229-S233 PolarHBondContact O-OG 3.45Å; L230-S233 PolarHBondContact O-N 3.3Å; L230-S233 PolarHBondContact O-OG 3.49Å; S233-M235 VanDerWaalsContact C-N 3.3Å; S233-M235 PolarHBondContact O-N 3.2Å; S233-Q236 PolarHBondContact O-N 3.18Å; S233-Q236 VanDerWaalsContact O-N 3.13Å; S233-G237 PolarHBondContact O-N 2.95Å
234	D	84.1	Confident	74.4	Confident	66 Å²	66	83.7 Å²	83.7	35%	0.353	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-41	176.8	-69	-15.5	0	0	0	111.8	Y182 L230 Q236 G237	Y182-D234 PolarHBondContact OH-OD2 3.28Å; L230-D234 PolarHBondContact O-N 2.92Å; L230-D234 VanDerWaalsContact O-N 3.09Å; D234-Q236 VanDerWaalsContact C-N 3.31Å; D234-Q236 PolarHBondContact O-N 3.44Å; D234-G237 PolarHBondContact O-N 3.11Å
235	M	81.3	Confident	72.3	Confident	99 Å²	99	90 Å²	90	49%	0.488	47%	0.469	S	S	.	.	H	α-helix	trans	-66.4	-30	177	-77.4	-171.9	165.2	0	0	113.7	P188 D189 W231 S233 G237	P188-M235 HydrophobicContact CB-CE 3.46Å; P188-M235 VanDerWaalsContact CB-CE 3.46Å; P188-M235 HydrophobicContact CG-CE 3.59Å; D189-M235 HydrophobicContact CB-CE 4.13Å; W231-M235 WeakPolarHBondContact O-CG 3.5Å; W231-M235 PolarHBondContact O-N 3.44Å; S233-M235 VanDerWaalsContact C-N 3.3Å; S233-M235 PolarHBondContact O-N 3.2Å; M235-G237 VanDerWaalsContact C-N 3.31Å
236	Q	79.5	Confident	70.7	Confident	128 Å²	128	87.4 Å²	87.4	60%	0.598	47%	0.473	S	S	*	.	H	α-helix	trans	-82.7	-9.4	-177.9	-71.4	176	16.8	0	0	112.8	T232 S233 D234 D238	T232-Q236 WeakPolarHBondContact O-CG 3.08Å; T232-Q236 PolarHBondContact O-N 2.81Å; S233-Q236 PolarHBondContact O-N 3.18Å; S233-Q236 VanDerWaalsContact O-N 3.13Å; D234-Q236 VanDerWaalsContact C-N 3.31Å; D234-Q236 PolarHBondContact O-N 3.44Å; Q236-D238 PolarHBondContact O-N 3.35Å
237	G	66.1	Low	69.6	Low	63 Å²	63	85.6 Å²	85.6	65%	0.649	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	6.9	-176.6	0	0	0	0	0	113.9	S233 D234 M235 G239	S233-G237 PolarHBondContact O-N 2.95Å; D234-G237 PolarHBondContact O-N 3.11Å; M235-G237 VanDerWaalsContact C-N 3.31Å; G237-G239 VanDerWaalsContact C-N 3.28Å
238	D	57.6	Low	68.9	Low	125 Å²	125	88.5 Å²	88.5	67%	0.668	48%	0.476	S	S	*	.			trans	-85	-4.7	174.6	-71.3	-25.3	0	0	0	112.2	Q236 E240	Q236-D238 PolarHBondContact O-N 3.35Å; D238-E240 PolarHBondContact O-N 3.37Å
239	G	48.2	Very low	68.1	Low	36 Å²	36	87.3 Å²	87.3	37%	0.371	47%	0.47	S	S	.	.			trans	-68.6	100.1	169.1	0	0	0	0	0	109.9	G237	G237-G239 VanDerWaalsContact C-N 3.28Å
240	E	43.8	Very low	67.4	Low	155 Å²	155	85.2 Å²	85.2	72%	0.724	46%	0.457	S	S	*	.			trans	-46.7	150.5	151	-67.2	-178.9	161.6	0	0	107.8	D238 Q242	D238-E240 PolarHBondContact O-N 3.37Å; E240-Q242 HydrophobicContact CB-CG 4.3Å; E240-Q242 PolarHBondContact O-N 3.4Å
241	E	42.2	Very low	66.2	Low	201 Å²	201	84.6 Å²	84.6	94%	0.939	45%	0.453	S	S	*	.			trans	-64	54.4	168.4	-71.1	-178	157.1	0	0	110.5	N243	E241-N243 PolarHBondContact O-N 3.4Å
242	Q	39.1	Very low	64.4	Low	119 Å²	119	87.5 Å²	87.5	56%	0.556	47%	0.469	S	S	*	.			trans	-53.5	111.7	156.7	-66.9	-176.1	4.7	0	0	103.5	E240 K244	E240-Q242 HydrophobicContact CB-CG 4.3Å; E240-Q242 PolarHBondContact O-N 3.4Å; Q242-K244 PolarHBondContact O-N 3.23Å
243	N	41.3	Very low	62.5	Low	150 Å²	150	87.9 Å²	87.9	80%	0.802	47%	0.467	S	S	*	.			trans	-31.5	112.9	169.5	-85.6	-45.5	0	0	0	106.4	E241 E245	E241-N243 PolarHBondContact O-N 3.4Å; N243-E245 WeakPolarHBondContact O-CA 3.26Å; N243-E245 PolarHBondContact O-N 3.03Å
244	K	47.7	Very low	60	Low	195 Å²	195	92.3 Å²	92.3	85%	0.848	49%	0.487	S	S	*	.			trans	-36.3	96.9	-179.3	-69.5	179.8	175	-174.4	0	107.7	Q242 A246	Q242-K244 PolarHBondContact O-N 3.23Å; K244-A246 PolarHBondContact O-N 3.4Å
245	E	51.7	Low	57.6	Low	132 Å²	132	101.4 Å²	101.4	62%	0.617	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-61	137.1	-179.6	-75	-172.3	158.6	0	0	103.7	N243 L247	N243-E245 WeakPolarHBondContact O-CA 3.26Å; N243-E245 PolarHBondContact O-N 3.03Å; E245-L247 PolarHBondContact O-N 3.36Å
246	A	62.6	Low	56.4	Low	62 Å²	62	101.6 Å²	101.6	51%	0.512	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-52.8	117	-176.6	0	0	0	0	0	107.5	K244 Q248	K244-A246 PolarHBondContact O-N 3.4Å; A246-Q248 PolarHBondContact O-N 3.36Å
247	L	71.8	Confident	55.2	Low	11 Å²	11	100.2 Å²	100.2	6%	0.058	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-60.1	128.1	-178.4	-67.7	-177.7	0	0	0	108	V179 Y182 E183 L230 W231 E245 D249	V179-L247 HydrophobicContact CG1-CB 4.31Å; V179-L247 HydrophobicContact CG1-CD1 4.49Å; Y182-L247 HydrophobicContact CD1-CD1 3.31Å; Y182-L247 HydrophobicContact CE1-CD1 3.69Å; Y182-L247 HydrophobicContact CG-CD1 4.08Å; E183-L247 HydrophobicContact CG-CD1 3.49Å; E183-L247 VanDerWaalsContact CG-CD1 3.49Å; E183-L247 WeakPolarHBondContact OE1-CD1 3.34Å; L230-L247 HydrophobicContact CD2-CD2 3.24Å; L230-L247 HydrophobicContact CG-CD2 4.37Å; W231-L247 HydrophobicContact CZ2-CD1 4.06Å; E245-L247 PolarHBondContact O-N 3.36Å; L247-D249 PolarHBondContact O-N 3.07Å; L247-D249 VanDerWaalsContact O-N 3.14Å
248	Q	79.1	Confident	54.6	Low	63 Å²	63	102.2 Å²	102.2	29%	0.294	52%	0.519	S	S	.	.			trans	-75	113.4	-172.1	-63	175.9	-34.7	0	0	108.7	L223 N227 A246	L223-Q248 HydrophobicContact CD2-CB 3.66Å; L223-Q248 HydrophobicContact CD2-CG 4.21Å; N227-Q248 PolarHBondContact ND2-O 3.06Å; N227-Q248 PolarHBondContact OD1-N 2.89Å; A246-Q248 PolarHBondContact O-N 3.36Å
249	D	79.2	Confident	54.4	Low	1 Å²	1	100.9 Å²	100.9	1%	0.005	51%	0.511	C	S	.	.			trans	-106.4	174.4	162.9	67.6	30.1	0	0	0	109.6	R57 R130 V179 L247 E251 D252	R57-D249 IonicContact NH1-OD2 2.67Å; R57-D249 IonicContact NH2-OD2 3.46Å; R130-D249 IonicContact CZ-OD2 3.94Å; R130-D249 IonicContact NH1-OD2 3.08Å; R130-D249 PolarHBondContact NH1-OD2 3.32Å; R130-D249 IonicContact NH2-OD2 2.65Å; R130-D249 PolarHBondContact NH2-OD2 2.9Å; V179-D249 HydrophobicContact CG2-CB 4.36Å; L247-D249 PolarHBondContact O-N 3.07Å; L247-D249 VanDerWaalsContact O-N 3.14Å; D249-E251 PolarHBondContact O-N 3.15Å; D249-E251 WeakPolarHBondContact OD1-CA 3.34Å; D249-E251 WeakPolarHBondContact OD1-CB 2.93Å; D249-E251 PolarHBondContact OD1-N 3.33Å; D249-D252 PolarHBondContact O-N 2.83Å; D249-D252 PolarHBondContact OD1-N 3.38Å
250	V	78.5	Confident	54.8	Low	50 Å²	50	104.9 Å²	104.9	30%	0.303	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15	-179.5	-178	0	0	0	0	112.3	K50 L175 N176	K50-V250 PolarHBondContact NZ-O 3.1Å; L175-V250 HydrophobicContact CD2-CG2 3.82Å; N176-V250 PolarHBondContact OD1-N 3.27Å
251	E	66.2	Low	55.5	Low	26 Å²	26	101.6 Å²	101.6	12%	0.121	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.5	180	-58.2	-174.1	176	0	0	113.2	K50 R57 Y131 D249 E253	K50-E251 HydrophobicContact CD-CB 4.5Å; K50-E251 HydrophobicContact CD-CG 4.45Å; K50-E251 WeakPolarHBondContact CE-O 3.43Å; K50-E251 HydrophobicContact CG-CB 4.42Å; K50-E251 HydrophobicContact CG-CG 4.34Å; K50-E251 PolarHBondContact NZ-O 2.86Å; K50-E251 VanDerWaalsContact NZ-O 3.07Å; R57-E251 IonicContact NH1-OE2 2.71Å; R57-E251 PolarHBondContact NH1-OE2 2.93Å; Y131-E251 VanDerWaalsContact CE2-OE1 3.29Å; Y131-E251 WeakPolarHBondContact CE2-OE1 3.29Å; Y131-E251 WeakPolarHBondContact CE2-OE2 3.49Å; Y131-E251 VanDerWaalsContact CZ-CD 3.45Å; Y131-E251 VanDerWaalsContact CZ-OE1 3.25Å; Y131-E251 PolarHBondContact OH-OE1 3.46Å; Y131-E251 PolarHBondContact OH-OE2 3.13Å; D249-E251 PolarHBondContact O-N 3.15Å; D249-E251 WeakPolarHBondContact OD1-CA 3.34Å; D249-E251 WeakPolarHBondContact OD1-CB 2.93Å; D249-E251 PolarHBondContact OD1-N 3.33Å; E251-E253 PolarHBondContact O-N 3.41Å
252	D	55.1	Low	56.5	Low	61 Å²	61	94.5 Å²	94.5	33%	0.326	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.2	-165.9	-72.5	-30.2	0	0	0	115.7	D249	D249-D252 PolarHBondContact O-N 2.83Å; D249-D252 PolarHBondContact OD1-N 3.38Å
253	E	49.7	Very low	57.8	Low	66 Å²	66	92.6 Å²	92.6	31%	0.308	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.8	-173.3	-88	-158.4	157.4	0	0	118.5	L219 L223 E251	L219-E253 VanDerWaalsContact CD1-OE2 3.27Å; L219-E253 WeakPolarHBondContact CD1-OE2 3.5Å; L223-E253 HydrophobicContact CD2-CG 4.03Å; L223-E253 VanDerWaalsContact CD2-OE1 3.29Å; L223-E253 WeakPolarHBondContact CD2-OE1 3.42Å; E251-E253 PolarHBondContact O-N 3.41Å
254	N	35.9	Very low	59.2	Low	129 Å²	129	87.8 Å²	87.8	69%	0.69	44%	0.441	S	S	*	.			trans	-106.4	48.9	179.5	-73.2	-1.4	0	0	0	114
255	Q	32.9	Very low	60.2	Low	258 Å²	258	78.1 Å²	78.1	100%	1.206	40%	0.404	S	S	*	.			trans	-99.8	0	161.1	-74.1	-170.2	1	0	0	111.3

Retrieved 255 of 255 residues in 326.3 ms (Link to these results)

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