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NADH dehydrogenase (ubiquinone) complex I, assembly factor 6

Involved in the assembly of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I) at early stages. May play a role in the biogenesis of complex I subunit MT-ND1.

AlphaFold DB , UniProt , Accession A0A075B6P0, Species HUMAN (Homo sapiens, Human), Gene NDUFAF6, Length 241 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	53.7	Low	138 Å²	138	86.5 Å²	86.5	68%	0.68	40%	0.403	S	S	*	.				0	-32.1	0	-155.1	169	-87.4	0	0	113.6	V42 E45	M1-V42 HydrophobicContact CG-CG1 4.3Å; M1-E45 HydrophobicContact CE-CB 3.57Å; M1-E45 HydrophobicContact CE-CG 4.19Å; M1-E45 HydrophobicContact SD-CB 4.34Å
2	W	49.4	Very low	54.5	Low	108 Å²	108	81.3 Å²	81.3	41%	0.409	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.2	-171.1	-64.4	98.5	0	0	0	118.1	W4 L5 L60 I63 L93 L96	W2-W4 PolarHBondContact O-N 3.18Å; W2-L5 HydrophobicContact CE3-CD1 4.47Å; W2-L5 HydrophobicContact CZ3-CD1 4.3Å; W2-L60 HydrophobicContact CH2-CD2 3.85Å; W2-I63 HydrophobicContact CZ3-CD1 4.43Å; W2-L93 HydrophobicContact CD2-CD1 3.9Å; W2-L93 VanDerWaalsContact CE2-CD1 3.42Å; W2-L93 HydrophobicContact CE3-CD1 4.31Å; W2-L93 HydrophobicContact CH2-CD1 3.89Å; W2-L93 HydrophobicContact CZ2-CD1 3.43Å; W2-L93 VanDerWaalsContact CZ2-CD1 3.43Å; W2-L93 HydrophobicContact CZ3-CD1 4.31Å; W2-L96 HydrophobicContact CH2-CD1 4.38Å
3	N	44.4	Very low	55.3	Low	114 Å²	114	85.2 Å²	85.2	61%	0.61	42%	0.423	S	S	*	.	H	α-helix	trans	-61.9	-31	-178	-79.5	-10.8	0	0	0	112.6	R6 L7	N3-R6 PolarHBondContact O-N 2.8Å; N3-L7 HydrophobicContact CB-CD1 4.23Å; N3-L7 WeakPolarHBondContact O-CB 3.3Å; N3-L7 WeakPolarHBondContact O-CD1 3.07Å; N3-L7 WeakPolarHBondContact O-CG 3.33Å; N3-L7 PolarHBondContact O-N 3.05Å
4	W	48	Very low	56.8	Low	158 Å²	158	87.8 Å²	87.8	60%	0.598	43%	0.434	S	S	*	.	H	α-helix	trans	-67.7	-47.5	-171	-55.4	101.9	0	0	0	114.3	W2 R6 L7 V8	W2-W4 PolarHBondContact O-N 3.18Å; W4-R6 VanDerWaalsContact C-N 3.29Å; W4-R6 PolarHBondContact O-N 3.43Å; W4-L7 PolarHBondContact O-N 2.91Å; W4-V8 WeakPolarHBondContact O-CG2 3.43Å; W4-V8 PolarHBondContact O-N 2.79Å
5	L	55.7	Low	58.5	Low	22 Å²	22	89.5 Å²	89.5	12%	0.115	44%	0.438	C	S	.	.	H	α-helix	trans	-65.5	-32.4	177.2	-82	167.4	0	0	0	112.6	W2 W25 V64	W2-L5 HydrophobicContact CE3-CD1 4.47Å; W2-L5 HydrophobicContact CZ3-CD1 4.3Å; L5-W25 HydrophobicContact CD2-CB 4.11Å; L5-W25 HydrophobicContact CD2-CD2 4.15Å; L5-W25 HydrophobicContact CD2-CG 3.71Å; L5-V64 HydrophobicContact CD2-CG2 4.49Å
6	R	59.4	Low	60.1	Low	140 Å²	140	89.7 Å²	89.7	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-68.6	-40.1	175.2	-174	178	177.6	171.2	1.3	111.3	N3 W4 V8	N3-R6 PolarHBondContact O-N 2.8Å; W4-R6 VanDerWaalsContact C-N 3.29Å; W4-R6 PolarHBondContact O-N 3.43Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-V8 PolarHBondContact O-N 2.72Å
7	L	58.7	Low	61.6	Low	80 Å²	80	88.1 Å²	88.1	42%	0.419	44%	0.438	S	S	.	.	H	α-helix	trans	-74.3	-17.1	-178	-69.8	168.7	0	0	0	113.5	N3 W4 K9 D10 S11	N3-L7 HydrophobicContact CB-CD1 4.23Å; N3-L7 WeakPolarHBondContact O-CB 3.3Å; N3-L7 WeakPolarHBondContact O-CD1 3.07Å; N3-L7 WeakPolarHBondContact O-CG 3.33Å; N3-L7 PolarHBondContact O-N 3.05Å; W4-L7 PolarHBondContact O-N 2.91Å; L7-K9 PolarHBondContact O-N 3.21Å; L7-D10 CarbonylContact O-C 3.34Å; L7-D10 PolarHBondContact O-N 3.32Å; L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 2.84Å; L7-S11 PolarHBondContact O-OG 3.1Å
8	V	62	Low	63	Low	5 Å²	5	83.2 Å²	83.2	3%	0.03	42%	0.415	C	S	.	.	H	α-helix	trans	-53.7	-43.1	-179.7	177.9	0	0	0	0	111.4	W4 R6 V12 R21 M22	W4-V8 WeakPolarHBondContact O-CG2 3.43Å; W4-V8 PolarHBondContact O-N 2.79Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-V8 PolarHBondContact O-N 2.72Å; V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 WeakPolarHBondContact O-CB 3.37Å; V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.36Å; V8-R21 HydrophobicContact CG1-CB 3.87Å; V8-M22 HydrophobicContact CB-CE 3.87Å; V8-M22 HydrophobicContact CG1-CE 3.71Å; V8-M22 HydrophobicContact CG1-SD 4.42Å
9	K	62.1	Low	64.3	Low	52 Å²	52	81.8 Å²	81.8	23%	0.226	41%	0.408	C	S	.	.	H	α-helix	trans	-68.4	-38	178.1	-178.5	169.3	174	159.1	0	113.1	L7 N70 D73	L7-K9 PolarHBondContact O-N 3.21Å; K9-N70 PolarHBondContact NZ-O 3.41Å; K9-N70 PolarHBondContact NZ-OD1 2.9Å; K9-D73 WeakPolarHBondContact CE-OD1 3.38Å; K9-D73 IonicContact NZ-OD1 3.93Å; K9-D73 PolarHBondContact NZ-OD1 3.33Å
10	D	59.5	Low	65.6	Low	72 Å²	72	83.5 Å²	83.5	39%	0.385	42%	0.416	S	S	.	.	H	α-helix	trans	-84.7	-17.5	-177.5	-70.4	-46.5	0	0	0	113.7	L7	L7-D10 CarbonylContact O-C 3.34Å; L7-D10 PolarHBondContact O-N 3.32Å
11	S	57.8	Low	66.7	Low	62 Å²	62	84.5 Å²	84.5	43%	0.434	42%	0.415	S	S	.	.	S	Bend	trans	-104.6	2.2	-174	64.1	0	0	0	0	114	L7 R21	L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 2.84Å; L7-S11 PolarHBondContact O-OG 3.1Å; S11-R21 PolarHBondContact OG-NH1 2.85Å
12	V	63.4	Low	69.5	Low	24 Å²	24	78 Å²	78	15%	0.145	38%	0.383	C	S	.	.			trans	-125.4	119.9	-177.5	-177	0	0	0	0	110	V8 E14 I17	V8-V12 HydrophobicContact CG1-CG2 4.44Å; V8-V12 WeakPolarHBondContact O-CB 3.37Å; V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.36Å; V12-E14 WeakPolarHBondContact CG1-O 3.33Å; V12-I17 HydrophobicContact CG1-CB 3.5Å; V12-I17 HydrophobicContact CG1-CG2 3.63Å; V12-I17 HydrophobicContact CG2-CG2 4.09Å
13	S	64.4	Low	71.5	Confident	132 Å²	132	77.3 Å²	77.3	92%	0.923	38%	0.384	S	S	*	.	S	Bend	trans	-78.9	-29.2	177	-47.2	0	0	0	0	112.7
14	E	76.9	Confident	73.8	Confident	122 Å²	122	76.3 Å²	76.3	57%	0.57	38%	0.375	S	S	*	.	S	Bend	trans	-109.4	126.4	-177.7	-67.6	-173.5	175.2	0	0	112.9	V12 T16 I17 G18	V12-E14 WeakPolarHBondContact CG1-O 3.33Å; E14-T16 PolarHBondContact O-N 2.77Å; E14-T16 VanDerWaalsContact O-N 3.11Å; E14-I17 HydrophobicContact CB-CD1 4.08Å; E14-I17 HydrophobicContact CB-CG1 4.19Å; E14-I17 PolarHBondContact O-N 3.23Å; E14-G18 PolarHBondContact O-N 3.12Å
15	K	81.7	Confident	76	Confident	114 Å²	114	69.9 Å²	69.9	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-51.1	-40.3	178.9	180	176.3	168.5	179.9	0	113	I17 G18 L19 D72	K15-I17 PolarHBondContact O-N 3.09Å; K15-G18 WeakPolarHBondContact O-CA 3.33Å; K15-G18 PolarHBondContact O-N 2.99Å; K15-G18 VanDerWaalsContact O-N 3.08Å; K15-L19 HydrophobicContact CG-CD1 4.16Å; K15-L19 HydrophobicContact CG-CG 4.38Å; K15-L19 WeakPolarHBondContact O-CG 3.28Å; K15-L19 PolarHBondContact O-N 3.37Å; K15-D72 WeakPolarHBondContact CE-OD1 3.38Å; K15-D72 IonicContact NZ-OD1 2.62Å; K15-D72 PolarHBondContact NZ-OD1 3.16Å; K15-D72 IonicContact NZ-OD2 2.7Å
16	T	83.9	Confident	77.9	Confident	92 Å²	92	70.6 Å²	70.6	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-59.1	-44.2	179.3	-49.6	0	0	0	0	112.1	E14 G18 L19 M20	E14-T16 PolarHBondContact O-N 2.77Å; E14-T16 VanDerWaalsContact O-N 3.11Å; T16-G18 VanDerWaalsContact C-N 3.28Å; T16-G18 PolarHBondContact O-N 3.08Å; T16-L19 PolarHBondContact O-N 3.34Å; T16-M20 HydrophobicContact CG2-CE 4.49Å; T16-M20 WeakPolarHBondContact O-CG 3.37Å; T16-M20 PolarHBondContact O-N 3.18Å
17	I	85.4	Confident	79.7	Confident	62 Å²	62	70 Å²	70	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-36	176.5	-61.1	173.5	0	0	0	110.6	V12 E14 K15 M20 R21	V12-I17 HydrophobicContact CG1-CB 3.5Å; V12-I17 HydrophobicContact CG1-CG2 3.63Å; V12-I17 HydrophobicContact CG2-CG2 4.09Å; E14-I17 HydrophobicContact CB-CD1 4.08Å; E14-I17 HydrophobicContact CB-CG1 4.19Å; E14-I17 PolarHBondContact O-N 3.23Å; K15-I17 PolarHBondContact O-N 3.09Å; I17-M20 HydrophobicContact CB-CE 4.27Å; I17-M20 HydrophobicContact CG1-CE 3.91Å; I17-M20 PolarHBondContact O-N 2.67Å; I17-R21 WeakPolarHBondContact O-CG 3.28Å; I17-R21 PolarHBondContact O-N 3.46Å
18	G	86.4	Confident	81.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-45.9	177.1	0	0	0	0	0	111	E14 K15 T16 R21 M22	E14-G18 PolarHBondContact O-N 3.12Å; K15-G18 WeakPolarHBondContact O-CA 3.33Å; K15-G18 PolarHBondContact O-N 2.99Å; K15-G18 VanDerWaalsContact O-N 3.08Å; T16-G18 VanDerWaalsContact C-N 3.28Å; T16-G18 PolarHBondContact O-N 3.08Å; G18-R21 PolarHBondContact O-N 3.19Å; G18-M22 WeakPolarHBondContact O-CG 3.43Å; G18-M22 PolarHBondContact O-N 3.31Å
19	L	88.8	Confident	83	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-46.7	175.4	-70.6	171	0	0	0	111.5	K15 T16 R21 M22 Q23 E68 L71	K15-L19 HydrophobicContact CG-CD1 4.16Å; K15-L19 HydrophobicContact CG-CG 4.38Å; K15-L19 WeakPolarHBondContact O-CG 3.28Å; K15-L19 PolarHBondContact O-N 3.37Å; T16-L19 PolarHBondContact O-N 3.34Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.43Å; L19-M22 PolarHBondContact O-N 3.12Å; L19-M22 VanDerWaalsContact O-N 3.11Å; L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.03Å; L19-E68 HydrophobicContact CD2-CG 3.78Å; L19-L71 HydrophobicContact CD2-CD1 3.74Å; L19-L71 HydrophobicContact CG-CD1 4.06Å
20	M	89.8	Confident	84.7	Confident	116 Å²	116	68.1 Å²	68.1	57%	0.571	34%	0.344	S	S	*	.	H	α-helix	trans	-57	-42.6	176.4	-71.9	-171.1	-68.3	0	0	112	T16 I17 Q23 F24	T16-M20 HydrophobicContact CG2-CE 4.49Å; T16-M20 WeakPolarHBondContact O-CG 3.37Å; T16-M20 PolarHBondContact O-N 3.18Å; I17-M20 HydrophobicContact CB-CE 4.27Å; I17-M20 HydrophobicContact CG1-CE 3.91Å; I17-M20 PolarHBondContact O-N 2.67Å; M20-Q23 PolarHBondContact O-N 3.49Å; M20-F24 PolarHBondContact O-N 2.92Å
21	R	89.6	Confident	86.4	Confident	104 Å²	104	66.5 Å²	66.5	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-39.7	176	-72.1	179.7	-178.6	-175.3	3.1	112.4	V8 S11 I17 G18 L19 F24 W25	V8-R21 HydrophobicContact CG1-CB 3.87Å; S11-R21 PolarHBondContact OG-NH1 2.85Å; I17-R21 WeakPolarHBondContact O-CG 3.28Å; I17-R21 PolarHBondContact O-N 3.46Å; G18-R21 PolarHBondContact O-N 3.19Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.43Å; R21-F24 WeakPolarHBondContact O-CB 3.41Å; R21-F24 PolarHBondContact O-N 3.2Å; R21-W25 PolarHBondContact O-N 3.09Å; R21-W25 VanDerWaalsContact O-N 3.12Å
22	M	91.6	Very high	88.3	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-42.6	175.8	-67.7	-57.2	-179.5	0	0	111.5	V8 G18 L19 F24 W25 K26 R67 E68 L71	V8-M22 HydrophobicContact CB-CE 3.87Å; V8-M22 HydrophobicContact CG1-CE 3.71Å; V8-M22 HydrophobicContact CG1-SD 4.42Å; G18-M22 WeakPolarHBondContact O-CG 3.43Å; G18-M22 PolarHBondContact O-N 3.31Å; L19-M22 PolarHBondContact O-N 3.12Å; L19-M22 VanDerWaalsContact O-N 3.11Å; M22-F24 VanDerWaalsContact C-N 3.34Å; M22-F24 PolarHBondContact O-N 2.89Å; M22-W25 PolarHBondContact O-N 3Å; M22-W25 VanDerWaalsContact O-N 3.11Å; M22-K26 WeakPolarHBondContact O-CG 3.29Å; M22-K26 PolarHBondContact O-N 3.3Å; M22-R67 HydrophobicContact CE-CB 3.69Å; M22-R67 HydrophobicContact SD-CB 4.2Å; M22-E68 HydrophobicContact CB-CB 4.03Å; M22-E68 HydrophobicContact CB-CG 4.03Å; M22-E68 HydrophobicContact CG-CB 4Å; M22-E68 HydrophobicContact CG-CG 4.27Å; M22-L71 HydrophobicContact CE-CD2 4.19Å; M22-L71 HydrophobicContact CG-CD1 4.03Å
23	Q	92.9	Very high	89.8	Confident	93 Å²	93	66 Å²	66	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.1	-69	-61.4	-29.7	0	0	112.1	L19 M20 W25 K26 K27 E68	L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.03Å; M20-Q23 PolarHBondContact O-N 3.49Å; Q23-W25 VanDerWaalsContact C-N 3.32Å; Q23-W25 PolarHBondContact O-N 3.49Å; Q23-K26 PolarHBondContact O-N 3.45Å; Q23-K27 PolarHBondContact O-N 3.15Å; Q23-E68 PolarHBondContact NE2-OE1 3.32Å
24	F	92.8	Very high	91.4	Very high	93 Å²	93	64.2 Å²	64.2	41%	0.408	31%	0.309	S	S	.	.	H	α-helix	trans	-56	-46.1	170.8	170.9	-92.2	0	0	0	111.9	M20 R21 M22 K27 T28 Q40	M20-F24 PolarHBondContact O-N 2.92Å; R21-F24 WeakPolarHBondContact O-CB 3.41Å; R21-F24 PolarHBondContact O-N 3.2Å; M22-F24 VanDerWaalsContact C-N 3.34Å; M22-F24 PolarHBondContact O-N 2.89Å; F24-K27 PolarHBondContact O-N 3.2Å; F24-T28 WeakPolarHBondContact CE1-OG1 3.41Å; F24-T28 WeakPolarHBondContact O-CB 3.28Å; F24-T28 PolarHBondContact O-N 3Å; F24-T28 PolarHBondContact O-OG1 2.82Å; F24-Q40 VanDerWaalsContact CE1-OE1 3.3Å
25	W	93.6	Very high	92.2	Very high	23 Å²	23	62.5 Å²	62.5	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-70.1	-34.6	179.4	-78.5	113	0	0	0	113.3	L5 R21 M22 Q23 T28 V29 V42 V64	L5-W25 HydrophobicContact CD2-CB 4.11Å; L5-W25 HydrophobicContact CD2-CD2 4.15Å; L5-W25 HydrophobicContact CD2-CG 3.71Å; R21-W25 PolarHBondContact O-N 3.09Å; R21-W25 VanDerWaalsContact O-N 3.12Å; M22-W25 PolarHBondContact O-N 3Å; M22-W25 VanDerWaalsContact O-N 3.11Å; Q23-W25 VanDerWaalsContact C-N 3.32Å; Q23-W25 PolarHBondContact O-N 3.49Å; W25-T28 HydrophobicContact CE3-CG2 4Å; W25-T28 HydrophobicContact CZ3-CG2 4.03Å; W25-T28 WeakPolarHBondContact O-CB 3.43Å; W25-T28 PolarHBondContact O-N 3.14Å; W25-V29 WeakPolarHBondContact O-CG2 3.38Å; W25-V29 PolarHBondContact O-N 2.78Å; W25-V42 HydrophobicContact CH2-CB 4.31Å; W25-V42 HydrophobicContact CH2-CG1 3.99Å; W25-V64 HydrophobicContact CB-CG1 4.24Å; W25-V64 HydrophobicContact CB-CG2 4.44Å
26	K	95.3	Very high	92.9	Very high	37 Å²	37	62.3 Å²	62.3	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-54	171.4	-74.1	-175.2	166.5	-171.5	0	110.8	M22 Q23 T28 V29 E30 M61 V64 D65 E68	M22-K26 WeakPolarHBondContact O-CG 3.29Å; M22-K26 PolarHBondContact O-N 3.3Å; Q23-K26 PolarHBondContact O-N 3.45Å; K26-T28 VanDerWaalsContact C-N 3.3Å; K26-T28 PolarHBondContact O-N 2.86Å; K26-V29 PolarHBondContact O-N 3.47Å; K26-V29 VanDerWaalsContact O-N 3.13Å; K26-E30 PolarHBondContact O-N 3.34Å; K26-M61 HydrophobicContact CB-CE 4.43Å; K26-M61 HydrophobicContact CG-CE 4.3Å; K26-V64 HydrophobicContact CD-CG1 4.45Å; K26-V64 HydrophobicContact CG-CB 4.36Å; K26-V64 HydrophobicContact CG-CG1 3.44Å; K26-V64 VanDerWaalsContact CG-CG1 3.44Å; K26-D65 WeakPolarHBondContact CE-OD1 3.47Å; K26-D65 IonicContact NZ-OD1 3.96Å; K26-D65 PolarHBondContact NZ-OD1 3.5Å; K26-E68 WeakPolarHBondContact CE-OE2 3.31Å; K26-E68 IonicContact NZ-OE2 2.72Å; K26-E68 PolarHBondContact NZ-OE2 3.36Å
27	K	96.1	Very high	93.4	Very high	127 Å²	127	59.1 Å²	59.1	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-58.9	-43.3	177.1	-175.8	176.2	177.9	177.4	0	111.5	Q23 F24 V29 E30 D31	Q23-K27 PolarHBondContact O-N 3.15Å; F24-K27 PolarHBondContact O-N 3.2Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 3.37Å; K27-E30 WeakPolarHBondContact O-CA 3.35Å; K27-E30 WeakPolarHBondContact O-CB 3.46Å; K27-E30 PolarHBondContact O-N 2.78Å; K27-D31 WeakPolarHBondContact CG-OD2 3.42Å; K27-D31 WeakPolarHBondContact O-CB 3.44Å; K27-D31 VanDerWaalsContact O-CG 3.27Å; K27-D31 PolarHBondContact O-N 3.14Å
28	T	95.3	Very high	93.8	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-56.4	-44.8	175.8	-63.3	0	0	0	0	111.6	F24 W25 K26 D31 I32 P38 A43	F24-T28 WeakPolarHBondContact CE1-OG1 3.41Å; F24-T28 WeakPolarHBondContact O-CB 3.28Å; F24-T28 PolarHBondContact O-N 3Å; F24-T28 PolarHBondContact O-OG1 2.82Å; W25-T28 HydrophobicContact CE3-CG2 4Å; W25-T28 HydrophobicContact CZ3-CG2 4.03Å; W25-T28 WeakPolarHBondContact O-CB 3.43Å; W25-T28 PolarHBondContact O-N 3.14Å; K26-T28 VanDerWaalsContact C-N 3.3Å; K26-T28 PolarHBondContact O-N 2.86Å; T28-D31 PolarHBondContact O-N 3.45Å; T28-I32 HydrophobicContact CG2-CD1 3.81Å; T28-I32 HydrophobicContact CG2-CG1 4.39Å; T28-I32 WeakPolarHBondContact O-CB 3.46Å; T28-I32 WeakPolarHBondContact O-CD1 3.17Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.03Å; T28-P38 HydrophobicContact CG2-CG 3.66Å; T28-A43 HydrophobicContact CG2-CB 3.7Å
29	V	96	Very high	94	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-42.9	175.6	174.2	0	0	0	0	110.2	W25 K26 K27 I32 Y33 K57 L60 M61	W25-V29 WeakPolarHBondContact O-CG2 3.38Å; W25-V29 PolarHBondContact O-N 2.78Å; K26-V29 PolarHBondContact O-N 3.47Å; K26-V29 VanDerWaalsContact O-N 3.13Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 3.37Å; V29-I32 PolarHBondContact O-N 3.32Å; V29-Y33 HydrophobicContact CG1-CD2 4.16Å; V29-Y33 HydrophobicContact CG1-CE2 4.1Å; V29-Y33 VanDerWaalsContact O-CD2 3.25Å; V29-Y33 WeakPolarHBondContact O-CD2 3.39Å; V29-Y33 PolarHBondContact O-N 3.02Å; V29-K57 HydrophobicContact CG1-CG 4.2Å; V29-L60 HydrophobicContact CG1-CB 4.05Å; V29-L60 HydrophobicContact CG2-CB 4.31Å; V29-M61 HydrophobicContact CB-SD 3.8Å; V29-M61 HydrophobicContact CG1-CG 3.93Å; V29-M61 HydrophobicContact CG1-SD 3.56Å; V29-M61 VanDerWaalsContact CG1-SD 3.56Å
30	E	96.9	Very high	94.1	Very high	92 Å²	92	66.9 Å²	66.9	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-50.8	175.5	-65.9	-176.7	167.9	0	0	112.7	K26 K27 I32 Y33 C34	K26-E30 PolarHBondContact O-N 3.34Å; K27-E30 WeakPolarHBondContact O-CA 3.35Å; K27-E30 WeakPolarHBondContact O-CB 3.46Å; K27-E30 PolarHBondContact O-N 2.78Å; E30-I32 VanDerWaalsContact C-N 3.32Å; E30-I32 PolarHBondContact O-N 2.73Å; E30-Y33 PolarHBondContact O-N 3.07Å; E30-C34 PolarHBondContact O-N 3.37Å; E30-C34 PolarHBondContact O-SG 3.37Å
31	D	96.6	Very high	94.2	Very high	39 Å²	39	66.1 Å²	66.1	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-41	179.8	-75.2	-13.3	0	0	0	112.1	K27 T28 Y33 C34 D35 N36	K27-D31 WeakPolarHBondContact CG-OD2 3.42Å; K27-D31 WeakPolarHBondContact O-CB 3.44Å; K27-D31 VanDerWaalsContact O-CG 3.27Å; K27-D31 PolarHBondContact O-N 3.14Å; T28-D31 PolarHBondContact O-N 3.45Å; D31-Y33 VanDerWaalsContact C-N 3.32Å; D31-Y33 PolarHBondContact O-N 3.45Å; D31-C34 CarbonylContact O-C 3.58Å; D31-C34 PolarHBondContact O-N 3.19Å; D31-C34 VanDerWaalsContact O-N 3.14Å; D31-D35 PolarHBondContact O-N 3.17Å; D31-N36 WeakPolarHBondContact CB-O 3.45Å; D31-N36 CarbonylContact O-C 3.57Å; D31-N36 PolarHBondContact O-N 3.36Å
32	I	96.3	Very high	94.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-42.4	174.7	-74.6	169.5	0	0	0	111.6	T28 V29 E30 C34 D35 P37 L46 W47 V50	T28-I32 HydrophobicContact CG2-CD1 3.81Å; T28-I32 HydrophobicContact CG2-CG1 4.39Å; T28-I32 WeakPolarHBondContact O-CB 3.46Å; T28-I32 WeakPolarHBondContact O-CD1 3.17Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.03Å; V29-I32 PolarHBondContact O-N 3.32Å; E30-I32 VanDerWaalsContact C-N 3.32Å; E30-I32 PolarHBondContact O-N 2.73Å; I32-C34 VanDerWaalsContact C-N 3.31Å; I32-D35 PolarHBondContact O-N 3.38Å; I32-P37 HydrophobicContact CG1-CB 4.08Å; I32-L46 HydrophobicContact CD1-CB 4.18Å; I32-L46 HydrophobicContact CD1-CD2 3.8Å; I32-L46 HydrophobicContact CD1-CG 3.99Å; I32-W47 HydrophobicContact CG1-CB 4.13Å; I32-W47 HydrophobicContact CG2-CB 3.98Å; I32-W47 HydrophobicContact CG2-CG 4.46Å; I32-V50 HydrophobicContact CG2-CB 4.2Å; I32-V50 HydrophobicContact CG2-CG1 4.32Å; I32-V50 HydrophobicContact CG2-CG2 4.04Å
33	Y	96.3	Very high	94.4	Very high	72 Å²	72	62.7 Å²	62.7	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-79.7	-14	179.7	-78.8	-93	0	0	0	113.2	V29 E30 D31 D35 V50 L55 K57 L60	V29-Y33 HydrophobicContact CG1-CD2 4.16Å; V29-Y33 HydrophobicContact CG1-CE2 4.1Å; V29-Y33 VanDerWaalsContact O-CD2 3.25Å; V29-Y33 WeakPolarHBondContact O-CD2 3.39Å; V29-Y33 PolarHBondContact O-N 3.02Å; E30-Y33 PolarHBondContact O-N 3.07Å; D31-Y33 VanDerWaalsContact C-N 3.32Å; D31-Y33 PolarHBondContact O-N 3.45Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-V50 HydrophobicContact CD1-CG1 4.27Å; Y33-V50 HydrophobicContact CE1-CG1 3.65Å; Y33-V50 HydrophobicContact CE2-CG1 4.11Å; Y33-V50 HydrophobicContact CE2-CG2 4.27Å; Y33-L55 WeakPolarHBondContact CE1-O 3.48Å; Y33-L55 PolarHBondContact OH-O 3.2Å; Y33-K57 HydrophobicContact CD1-CB 3.88Å; Y33-K57 HydrophobicContact CD1-CD 4.35Å; Y33-K57 HydrophobicContact CD1-CG 4.38Å; Y33-K57 HydrophobicContact CD2-CB 3.97Å; Y33-K57 HydrophobicContact CD2-CD 3.96Å; Y33-K57 HydrophobicContact CD2-CG 3.75Å; Y33-K57 HydrophobicContact CE1-CB 3.6Å; Y33-K57 HydrophobicContact CE1-CG 4.44Å; Y33-K57 HydrophobicContact CE2-CB 3.7Å; Y33-K57 HydrophobicContact CE2-CD 4.5Å; Y33-K57 HydrophobicContact CE2-CG 3.8Å; Y33-K57 HydrophobicContact CG-CB 4.06Å; Y33-K57 HydrophobicContact CG-CD 3.87Å; Y33-K57 HydrophobicContact CG-CG 4.06Å; Y33-K57 VanDerWaalsContact OH-CA 3.29Å; Y33-K57 WeakPolarHBondContact OH-CA 3.48Å; Y33-K57 PolarHBondContact OH-N 3.11Å; Y33-K57 VanDerWaalsContact OH-N 3.08Å; Y33-L60 HydrophobicContact CE2-CD1 3.91Å
34	C	96.4	Very high	94.5	Very high	96 Å²	96	60.7 Å²	60.7	65%	0.649	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	9.4	168.5	-65.6	0	0	0	0	113.1	E30 D31 I32 N36	E30-C34 PolarHBondContact O-N 3.37Å; E30-C34 PolarHBondContact O-SG 3.37Å; D31-C34 CarbonylContact O-C 3.58Å; D31-C34 PolarHBondContact O-N 3.19Å; D31-C34 VanDerWaalsContact O-N 3.14Å; I32-C34 VanDerWaalsContact C-N 3.31Å; C34-N36 VanDerWaalsContact C-N 3.26Å; C34-N36 PolarHBondContact O-N 3.33Å
35	D	95.1	Very high	94.6	Very high	86 Å²	86	60.2 Å²	60.2	46%	0.46	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	26.9	-178.5	-143.4	18.5	0	0	0	115.3	D31 I32 Y33 W47 K51	D31-D35 PolarHBondContact O-N 3.17Å; I32-D35 PolarHBondContact O-N 3.38Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; D35-W47 WeakPolarHBondContact OD1-CZ2 3.47Å; D35-W47 PolarHBondContact OD1-NE1 3.21Å; D35-K51 WeakPolarHBondContact OD1-CE 3.36Å; D35-K51 IonicContact OD1-NZ 2.96Å; D35-K51 PolarHBondContact OD1-NZ 2.75Å; D35-K51 IonicContact OD2-NZ 3.29Å; D35-K51 PolarHBondContact OD2-NZ 2.67Å
36	N	96	Very high	94.7	Very high	109 Å²	109	60.3 Å²	60.3	58%	0.583	31%	0.311	S	S	*	.			trans	-129.1	59.3	-178.9	-174.5	35.3	0	0	0	111.4	D31 C34	D31-N36 WeakPolarHBondContact CB-O 3.45Å; D31-N36 CarbonylContact O-C 3.57Å; D31-N36 PolarHBondContact O-N 3.36Å; C34-N36 VanDerWaalsContact C-N 3.26Å; C34-N36 PolarHBondContact O-N 3.33Å
37	P	94.1	Very high	94.8	Very high	25 Å²	25	61.9 Å²	61.9	16%	0.162	32%	0.316	C	S	.	.			trans	-64	141.6	-174.9	29.6	-36.6	0	0	0	111.6	I32 W47	I32-P37 HydrophobicContact CG1-CB 4.08Å; P37-W47 HydrophobicContact CB-CB 3.84Å; P37-W47 HydrophobicContact CB-CG 3.99Å; P37-W47 HydrophobicContact CG-CB 4.08Å; P37-W47 HydrophobicContact CG-CD2 3.9Å; P37-W47 HydrophobicContact CG-CE3 4.38Å; P37-W47 HydrophobicContact CG-CG 3.73Å
38	P	93.7	Very high	94.8	Very high	30 Å²	30	60.6 Å²	60.6	20%	0.195	31%	0.311	C	S	.	.			trans	-63.3	151.3	173.7	25.5	-32	0	0	0	110.8	T28 Q40 A43	T28-P38 HydrophobicContact CG2-CG 3.66Å; P38-Q40 PolarHBondContact O-N 2.86Å; P38-A43 HydrophobicContact CG-CB 3.68Å
39	H	91.3	Very high	94.8	Very high	191 Å²	191	61.9 Å²	61.9	88%	0.884	32%	0.322	S	S	*	.	S	Bend	trans	-72.6	46.7	-179	-63.9	-73	0	0	0	113.8
40	Q	90.3	Very high	94.9	Very high	61 Å²	61	62.2 Å²	62.2	29%	0.285	32%	0.324	S	S	.	.			trans	-109.1	131.9	172.7	-173.4	-178	2.3	0	0	108.8	F24 P38 V42 A43 I44	F24-Q40 VanDerWaalsContact CE1-OE1 3.3Å; P38-Q40 PolarHBondContact O-N 2.86Å; Q40-V42 PolarHBondContact O-N 3.04Å; Q40-V42 VanDerWaalsContact O-N 3.09Å; Q40-A43 HydrophobicContact CB-CB 4.14Å; Q40-A43 PolarHBondContact O-N 2.99Å; Q40-I44 WeakPolarHBondContact O-CG1 3.46Å; Q40-I44 PolarHBondContact O-N 3.38Å
41	P	92.8	Very high	94.9	Very high	101 Å²	101	63.4 Å²	63.4	66%	0.656	33%	0.327	S	S	*	.	H	α-helix	trans	-52.2	-40.9	-175.9	-29.4	34.7	0	0	0	114	I44 E45	P41-I44 PolarHBondContact O-N 3.04Å; P41-E45 WeakPolarHBondContact O-CG 3.47Å; P41-E45 PolarHBondContact O-N 3.25Å
42	V	91.1	Very high	94.9	Very high	34 Å²	34	71.2 Å²	71.2	21%	0.206	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-40.4	179	-178.8	0	0	0	0	112	M1 W25 Q40 L46	M1-V42 HydrophobicContact CG-CG1 4.3Å; W25-V42 HydrophobicContact CH2-CB 4.31Å; W25-V42 HydrophobicContact CH2-CG1 3.99Å; Q40-V42 PolarHBondContact O-N 3.04Å; Q40-V42 VanDerWaalsContact O-N 3.09Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 PolarHBondContact O-N 3.28Å
43	A	93.1	Very high	94.9	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-68.8	-39	179	0	0	0	0	0	111.5	T28 P38 Q40 L46 W47	T28-A43 HydrophobicContact CG2-CB 3.7Å; P38-A43 HydrophobicContact CG-CB 3.68Å; Q40-A43 HydrophobicContact CB-CB 4.14Å; Q40-A43 PolarHBondContact O-N 2.99Å; A43-L46 PolarHBondContact O-N 3.42Å; A43-W47 WeakPolarHBondContact O-CB 3.18Å; A43-W47 PolarHBondContact O-N 2.81Å
44	I	95.9	Very high	94.8	Very high	51 Å²	51	76.5 Å²	76.5	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-47	176	-64.4	169.7	0	0	0	110.8	Q40 P41 L46 W47 K48	Q40-I44 WeakPolarHBondContact O-CG1 3.46Å; Q40-I44 PolarHBondContact O-N 3.38Å; P41-I44 PolarHBondContact O-N 3.04Å; I44-L46 VanDerWaalsContact C-N 3.35Å; I44-W47 WeakPolarHBondContact O-CB 3.28Å; I44-W47 PolarHBondContact O-N 2.79Å; I44-K48 WeakPolarHBondContact O-CG 3.49Å; I44-K48 PolarHBondContact O-N 3.38Å
45	E	95.1	Very high	94.8	Very high	82 Å²	82	72.3 Å²	72.3	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-67.7	-36.3	178.2	-67.5	-52.8	128.8	0	0	112.3	M1 P41 W47 K48 A49	M1-E45 HydrophobicContact CE-CB 3.57Å; M1-E45 HydrophobicContact CE-CG 4.19Å; M1-E45 HydrophobicContact SD-CB 4.34Å; P41-E45 WeakPolarHBondContact O-CG 3.47Å; P41-E45 PolarHBondContact O-N 3.25Å; E45-W47 VanDerWaalsContact C-N 3.35Å; E45-K48 PolarHBondContact O-N 3.11Å; E45-K48 IonicContact OE1-NZ 2.99Å; E45-K48 PolarHBondContact OE1-NZ 2.93Å; E45-K48 IonicContact OE2-NZ 2.86Å; E45-A49 PolarHBondContact O-N 3Å
46	L	94.9	Very high	94.9	Very high	26 Å²	26	70.9 Å²	70.9	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-43.4	172.9	-178.8	59.7	0	0	0	111.1	I32 V42 A43 I44 A49 V50 L60	I32-L46 HydrophobicContact CD1-CB 4.18Å; I32-L46 HydrophobicContact CD1-CD2 3.8Å; I32-L46 HydrophobicContact CD1-CG 3.99Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 PolarHBondContact O-N 3.28Å; A43-L46 PolarHBondContact O-N 3.42Å; I44-L46 VanDerWaalsContact C-N 3.35Å; L46-A49 PolarHBondContact O-N 3.39Å; L46-V50 HydrophobicContact CD1-CG2 4.34Å; L46-V50 HydrophobicContact CG-CG2 4.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.19Å; L46-L60 HydrophobicContact CD1-CD1 4.44Å; L46-L60 HydrophobicContact CD1-CD2 4.35Å
47	W	96.9	Very high	95	Very high	70 Å²	70	69.2 Å²	69.2	27%	0.265	34%	0.338	S	S	.	.	H	α-helix	trans	-58.8	-46.4	174.6	168.6	82.6	0	0	0	112.5	I32 D35 P37 A43 I44 E45 A49 V50 K51	I32-W47 HydrophobicContact CG1-CB 4.13Å; I32-W47 HydrophobicContact CG2-CB 3.98Å; I32-W47 HydrophobicContact CG2-CG 4.46Å; D35-W47 WeakPolarHBondContact OD1-CZ2 3.47Å; D35-W47 PolarHBondContact OD1-NE1 3.21Å; P37-W47 HydrophobicContact CB-CB 3.84Å; P37-W47 HydrophobicContact CB-CG 3.99Å; P37-W47 HydrophobicContact CG-CB 4.08Å; P37-W47 HydrophobicContact CG-CD2 3.9Å; P37-W47 HydrophobicContact CG-CE3 4.38Å; P37-W47 HydrophobicContact CG-CG 3.73Å; A43-W47 WeakPolarHBondContact O-CB 3.18Å; A43-W47 PolarHBondContact O-N 2.81Å; I44-W47 WeakPolarHBondContact O-CB 3.28Å; I44-W47 PolarHBondContact O-N 2.79Å; E45-W47 VanDerWaalsContact C-N 3.35Å; W47-A49 VanDerWaalsContact C-N 3.3Å; W47-A49 PolarHBondContact O-N 3.44Å; W47-V50 PolarHBondContact O-N 3.28Å; W47-K51 HydrophobicContact CZ2-CG 4.44Å; W47-K51 WeakPolarHBondContact O-CG 3.38Å; W47-K51 PolarHBondContact O-N 2.92Å
48	K	96.7	Very high	95.1	Very high	99 Å²	99	75.6 Å²	75.6	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-57.4	-43.8	174.4	-69.6	174.9	-173.5	168.3	0	111.5	I44 E45 K51 R52	I44-K48 WeakPolarHBondContact O-CG 3.49Å; I44-K48 PolarHBondContact O-N 3.38Å; E45-K48 PolarHBondContact O-N 3.11Å; E45-K48 IonicContact OE1-NZ 2.99Å; E45-K48 PolarHBondContact OE1-NZ 2.93Å; E45-K48 IonicContact OE2-NZ 2.86Å; K48-K51 PolarHBondContact O-N 3.2Å; K48-R52 VanDerWaalsContact O-CB 3.23Å; K48-R52 WeakPolarHBondContact O-CB 3.38Å; K48-R52 PolarHBondContact O-N 3.04Å
49	A	96.4	Very high	95.3	Very high	29 Å²	29	76.3 Å²	76.3	24%	0.24	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-43.3	178	0	0	0	0	0	112.2	E45 L46 W47 K51 R52 H53 L55	E45-A49 PolarHBondContact O-N 3Å; L46-A49 PolarHBondContact O-N 3.39Å; W47-A49 VanDerWaalsContact C-N 3.3Å; W47-A49 PolarHBondContact O-N 3.44Å; A49-K51 PolarHBondContact O-N 3.36Å; A49-R52 PolarHBondContact O-N 2.85Å; A49-H53 WeakPolarHBondContact O-CB 3.4Å; A49-H53 PolarHBondContact O-CD2 2.89Å; A49-H53 PolarHBondContact O-N 3.18Å; A49-L55 HydrophobicContact CB-CD1 4.37Å
50	V	97	Very high	95.5	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-48.4	175.5	168.7	0	0	0	0	110.5	I32 Y33 L46 W47 N54 L55 L60	I32-V50 HydrophobicContact CG2-CB 4.2Å; I32-V50 HydrophobicContact CG2-CG1 4.32Å; I32-V50 HydrophobicContact CG2-CG2 4.04Å; Y33-V50 HydrophobicContact CD1-CG1 4.27Å; Y33-V50 HydrophobicContact CE1-CG1 3.65Å; Y33-V50 HydrophobicContact CE2-CG1 4.11Å; Y33-V50 HydrophobicContact CE2-CG2 4.27Å; L46-V50 HydrophobicContact CD1-CG2 4.34Å; L46-V50 HydrophobicContact CG-CG2 4.41Å; L46-V50 VanDerWaalsContact O-CG2 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.19Å; W47-V50 PolarHBondContact O-N 3.28Å; V50-N54 WeakPolarHBondContact O-CA 3.44Å; V50-N54 PolarHBondContact O-N 3.22Å; V50-L55 HydrophobicContact CG2-CB 4.19Å; V50-L55 HydrophobicContact CG2-CD1 4.12Å; V50-L55 PolarHBondContact O-N 3.49Å; V50-L60 HydrophobicContact CG2-CD1 4.06Å
51	K	96.2	Very high	95.8	Very high	117 Å²	117	66.1 Å²	66.1	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-43.9	177.9	-71.6	-73.8	-167.3	166	0	112.5	D35 W47 K48 A49	D35-K51 WeakPolarHBondContact OD1-CE 3.36Å; D35-K51 IonicContact OD1-NZ 2.96Å; D35-K51 PolarHBondContact OD1-NZ 2.75Å; D35-K51 IonicContact OD2-NZ 3.29Å; D35-K51 PolarHBondContact OD2-NZ 2.67Å; W47-K51 HydrophobicContact CZ2-CG 4.44Å; W47-K51 WeakPolarHBondContact O-CG 3.38Å; W47-K51 PolarHBondContact O-N 2.92Å; K48-K51 PolarHBondContact O-N 3.2Å; A49-K51 PolarHBondContact O-N 3.36Å
52	R	97	Very high	96	Very high	203 Å²	203	63.6 Å²	63.6	77%	0.766	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-38.9	-176.9	-178.4	176.7	180	171.6	1.2	113.2	K48 A49	K48-R52 VanDerWaalsContact O-CB 3.23Å; K48-R52 WeakPolarHBondContact O-CB 3.38Å; K48-R52 PolarHBondContact O-N 3.04Å; A49-R52 PolarHBondContact O-N 2.85Å
53	H	96.4	Very high	96.2	Very high	59 Å²	59	62.3 Å²	62.3	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-110.4	1.3	-172.1	-63.4	-78.5	0	0	0	113.6	A49 L55 I100	A49-H53 WeakPolarHBondContact O-CB 3.4Å; A49-H53 PolarHBondContact O-CD2 2.89Å; A49-H53 PolarHBondContact O-N 3.18Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 HydrophobicContact CB-CD2 3.65Å; H53-L55 HydrophobicContact CB-CG 4.07Å; H53-L55 PolarHBondContact O-N 3.09Å; H53-I100 HydrophobicContact CB-CG1 4.34Å; H53-I100 PolarHBondContact CE1-O 3.45Å; H53-I100 PolarHBondContact ND1-O 2.95Å
54	N	95.2	Very high	96.3	Very high	127 Å²	127	62.5 Å²	62.5	68%	0.679	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	50.1	-176.3	-166.9	31.1	0	0	0	112.3	V50	V50-N54 WeakPolarHBondContact O-CA 3.44Å; V50-N54 PolarHBondContact O-N 3.22Å
55	L	96.8	Very high	96.3	Very high	7 Å²	7	62.5 Å²	62.5	4%	0.037	28%	0.283	C	S	.	.			trans	-65.9	141.6	-174.3	-58.6	-178.8	0	0	0	111.4	Y33 A49 V50 H53 K57 L96 E99 I100	Y33-L55 WeakPolarHBondContact CE1-O 3.48Å; Y33-L55 PolarHBondContact OH-O 3.2Å; A49-L55 HydrophobicContact CB-CD1 4.37Å; V50-L55 HydrophobicContact CG2-CB 4.19Å; V50-L55 HydrophobicContact CG2-CD1 4.12Å; V50-L55 PolarHBondContact O-N 3.49Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 HydrophobicContact CB-CD2 3.65Å; H53-L55 HydrophobicContact CB-CG 4.07Å; H53-L55 PolarHBondContact O-N 3.09Å; L55-K57 PolarHBondContact O-N 2.86Å; L55-L96 HydrophobicContact CB-CD2 3.94Å; L55-L96 HydrophobicContact CD1-CD2 4.41Å; L55-L96 HydrophobicContact CD2-CD2 4.39Å; L55-L96 HydrophobicContact CG-CD2 4.47Å; L55-E99 WeakPolarHBondContact CA-OE2 3.15Å; L55-E99 HydrophobicContact CD2-CB 3.78Å; L55-I100 HydrophobicContact CD2-CG1 3.74Å
56	T	96.8	Very high	96.2	Very high	57 Å²	57	60 Å²	60	35%	0.35	27%	0.272	S	S	.	.			trans	-77.7	119.8	-177.8	-61.7	0	0	0	0	111.7	R58 W59 E99	T56-R58 HydrophobicContact CG2-CB 3.88Å; T56-R58 PolarHBondContact O-N 3.14Å; T56-R58 VanDerWaalsContact O-N 3.13Å; T56-W59 PolarHBondContact O-N 3.1Å; T56-W59 VanDerWaalsContact O-N 3.16Å; T56-E99 WeakPolarHBondContact CB-OE1 3.34Å; T56-E99 PolarHBondContact N-OE2 2.98Å; T56-E99 PolarHBondContact OG1-OE1 3.13Å
57	K	97.3	Very high	96.1	Very high	74 Å²	74	60.6 Å²	60.6	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-51.4	-40.2	179.5	-176.2	175	178	178.9	0	113	V29 Y33 L55 W59 L60 M61	V29-K57 HydrophobicContact CG1-CG 4.2Å; Y33-K57 HydrophobicContact CD1-CB 3.88Å; Y33-K57 HydrophobicContact CD1-CD 4.35Å; Y33-K57 HydrophobicContact CD1-CG 4.38Å; Y33-K57 HydrophobicContact CD2-CB 3.97Å; Y33-K57 HydrophobicContact CD2-CD 3.96Å; Y33-K57 HydrophobicContact CD2-CG 3.75Å; Y33-K57 HydrophobicContact CE1-CB 3.6Å; Y33-K57 HydrophobicContact CE1-CG 4.44Å; Y33-K57 HydrophobicContact CE2-CB 3.7Å; Y33-K57 HydrophobicContact CE2-CD 4.5Å; Y33-K57 HydrophobicContact CE2-CG 3.8Å; Y33-K57 HydrophobicContact CG-CB 4.06Å; Y33-K57 HydrophobicContact CG-CD 3.87Å; Y33-K57 HydrophobicContact CG-CG 4.06Å; Y33-K57 VanDerWaalsContact OH-CA 3.29Å; Y33-K57 WeakPolarHBondContact OH-CA 3.48Å; Y33-K57 PolarHBondContact OH-N 3.11Å; Y33-K57 VanDerWaalsContact OH-N 3.08Å; L55-K57 PolarHBondContact O-N 2.86Å; K57-W59 VanDerWaalsContact C-N 3.26Å; K57-W59 PolarHBondContact O-N 3.29Å; K57-L60 PolarHBondContact O-N 3.28Å; K57-M61 HydrophobicContact CG-CG 3.99Å; K57-M61 PolarHBondContact O-N 2.89Å
58	R	97.3	Very high	95.8	Very high	158 Å²	158	59 Å²	59	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-54.9	-39.7	-176.9	-174.2	-176.3	179.5	-166.7	-0	112.6	T56 K62	T56-R58 HydrophobicContact CG2-CB 3.88Å; T56-R58 PolarHBondContact O-N 3.14Å; T56-R58 VanDerWaalsContact O-N 3.13Å; R58-K62 WeakPolarHBondContact O-CB 3.48Å; R58-K62 WeakPolarHBondContact O-CG 3.16Å; R58-K62 PolarHBondContact O-N 3.43Å
59	W	97	Very high	95.5	Very high	45 Å²	45	61.1 Å²	61.1	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-70.5	-40.9	-178.4	-56.4	135.2	0	0	0	111.9	T56 K57 K62 I63 Y95 L96 E99	T56-W59 PolarHBondContact O-N 3.1Å; T56-W59 VanDerWaalsContact O-N 3.16Å; K57-W59 VanDerWaalsContact C-N 3.26Å; K57-W59 PolarHBondContact O-N 3.29Å; W59-K62 HydrophobicContact CE3-CD 3.93Å; W59-K62 HydrophobicContact CZ3-CD 4.02Å; W59-K62 PolarHBondContact O-N 3.44Å; W59-I63 WeakPolarHBondContact O-CG1 3.41Å; W59-I63 PolarHBondContact O-N 3.18Å; W59-Y95 AromaticContact CD2-CD2 3.87Å; W59-Y95 HydrophobicContact CD2-CD2 3.87Å; W59-Y95 HydrophobicContact CD2-CG 4.43Å; W59-Y95 AromaticContact CE2-CD2 3.97Å; W59-Y95 AromaticContact CE3-CD2 3.66Å; W59-Y95 HydrophobicContact CE3-CD2 3.66Å; W59-Y95 HydrophobicContact CE3-CE2 4.3Å; W59-Y95 AromaticContact CH2-CD2 3.75Å; W59-Y95 HydrophobicContact CH2-CD2 3.75Å; W59-Y95 AromaticContact CH2-CE2 3.99Å; W59-Y95 HydrophobicContact CH2-CE2 3.99Å; W59-Y95 AromaticContact CZ2-CD2 3.94Å; W59-Y95 HydrophobicContact CZ2-CD2 3.94Å; W59-Y95 HydrophobicContact CZ2-CG 4.32Å; W59-Y95 AromaticContact CZ3-CD2 3.59Å; W59-Y95 HydrophobicContact CZ3-CD2 3.59Å; W59-Y95 AromaticContact CZ3-CE2 3.83Å; W59-Y95 HydrophobicContact CZ3-CE2 3.83Å; W59-L96 HydrophobicContact CB-CD1 3.96Å; W59-L96 HydrophobicContact CB-CD2 3.9Å; W59-L96 HydrophobicContact CB-CG 3.68Å; W59-L96 HydrophobicContact CG-CD2 4.47Å; W59-L96 HydrophobicContact CG-CG 4.36Å; W59-E99 PolarHBondContact NE1-OE1 3.06Å
60	L	96.4	Very high	95	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-47.7	174.8	-69	171.2	0	0	0	111.3	W2 V29 Y33 L46 V50 K57 K62 I63 V64 L96	W2-L60 HydrophobicContact CH2-CD2 3.85Å; V29-L60 HydrophobicContact CG1-CB 4.05Å; V29-L60 HydrophobicContact CG2-CB 4.31Å; Y33-L60 HydrophobicContact CE2-CD1 3.91Å; L46-L60 HydrophobicContact CD1-CD1 4.44Å; L46-L60 HydrophobicContact CD1-CD2 4.35Å; V50-L60 HydrophobicContact CG2-CD1 4.06Å; K57-L60 PolarHBondContact O-N 3.28Å; L60-K62 PolarHBondContact O-N 3.21Å; L60-I63 PolarHBondContact O-N 3.27Å; L60-V64 PolarHBondContact O-N 3.5Å; L60-L96 HydrophobicContact CD2-CD1 3.6Å; L60-L96 HydrophobicContact CG-CD1 3.98Å; L60-L96 HydrophobicContact CG-CD2 4.27Å
61	M	96.7	Very high	94.5	Very high	31 Å²	31	61.1 Å²	61.1	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-44.4	178.2	-72	-58.9	-64.8	0	0	112	K26 V29 K57 I63 V64 D65	K26-M61 HydrophobicContact CB-CE 4.43Å; K26-M61 HydrophobicContact CG-CE 4.3Å; V29-M61 HydrophobicContact CB-SD 3.8Å; V29-M61 HydrophobicContact CG1-CG 3.93Å; V29-M61 HydrophobicContact CG1-SD 3.56Å; V29-M61 VanDerWaalsContact CG1-SD 3.56Å; K57-M61 HydrophobicContact CG-CG 3.99Å; K57-M61 PolarHBondContact O-N 2.89Å; M61-I63 VanDerWaalsContact C-N 3.28Å; M61-I63 PolarHBondContact O-N 3.47Å; M61-V64 PolarHBondContact O-N 3.29Å; M61-V64 VanDerWaalsContact O-N 3.08Å; M61-D65 WeakPolarHBondContact O-CB 3.49Å; M61-D65 PolarHBondContact O-N 2.95Å
62	K	96.3	Very high	93.8	Very high	48 Å²	48	58.6 Å²	58.6	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-53.6	-43.5	175.6	-87	-173.3	166.3	-157.2	0	112.7	R58 W59 L60 E66 N88	R58-K62 WeakPolarHBondContact O-CB 3.48Å; R58-K62 WeakPolarHBondContact O-CG 3.16Å; R58-K62 PolarHBondContact O-N 3.43Å; W59-K62 HydrophobicContact CE3-CD 3.93Å; W59-K62 HydrophobicContact CZ3-CD 4.02Å; W59-K62 PolarHBondContact O-N 3.44Å; L60-K62 PolarHBondContact O-N 3.21Å; K62-E66 VanDerWaalsContact O-CB 3.23Å; K62-E66 WeakPolarHBondContact O-CB 3.48Å; K62-E66 PolarHBondContact O-N 2.88Å; K62-N88 PolarHBondContact NZ-OD1 2.91Å
63	I	95.6	Very high	93	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-44.3	179.1	-65.5	164.5	0	0	0	110.5	W2 W59 L60 M61 R67 L93 L96	W2-I63 HydrophobicContact CZ3-CD1 4.43Å; W59-I63 WeakPolarHBondContact O-CG1 3.41Å; W59-I63 PolarHBondContact O-N 3.18Å; L60-I63 PolarHBondContact O-N 3.27Å; M61-I63 VanDerWaalsContact C-N 3.28Å; M61-I63 PolarHBondContact O-N 3.47Å; I63-R67 WeakPolarHBondContact O-CB 3.36Å; I63-R67 VanDerWaalsContact O-CG 3.23Å; I63-R67 WeakPolarHBondContact O-CG 3.44Å; I63-R67 PolarHBondContact O-N 3.26Å; I63-R67 VanDerWaalsContact O-N 3.14Å; I63-L93 HydrophobicContact CD1-CB 4.48Å; I63-L96 HydrophobicContact CD1-CD1 4.12Å
64	V	94.7	Very high	92.5	Very high	3 Å²	3	55 Å²	55	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-47.1	-179.1	-177.2	0	0	0	0	110.8	L5 W25 K26 L60 M61 E66 R67 E68	L5-V64 HydrophobicContact CD2-CG2 4.49Å; W25-V64 HydrophobicContact CB-CG1 4.24Å; W25-V64 HydrophobicContact CB-CG2 4.44Å; K26-V64 HydrophobicContact CD-CG1 4.45Å; K26-V64 HydrophobicContact CG-CB 4.36Å; K26-V64 HydrophobicContact CG-CG1 3.44Å; K26-V64 VanDerWaalsContact CG-CG1 3.44Å; L60-V64 PolarHBondContact O-N 3.5Å; M61-V64 PolarHBondContact O-N 3.29Å; M61-V64 VanDerWaalsContact O-N 3.08Å; V64-E66 PolarHBondContact O-N 3.32Å; V64-R67 PolarHBondContact O-N 3.38Å; V64-E68 PolarHBondContact O-N 3.42Å
65	D	94.7	Very high	92.3	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-46.5	178.1	-74.5	-36.9	0	0	0	112.2	K26 M61 R67 E68 K69	K26-D65 WeakPolarHBondContact CE-OD1 3.47Å; K26-D65 IonicContact NZ-OD1 3.96Å; K26-D65 PolarHBondContact NZ-OD1 3.5Å; M61-D65 WeakPolarHBondContact O-CB 3.49Å; M61-D65 PolarHBondContact O-N 2.95Å; D65-R67 VanDerWaalsContact C-N 3.34Å; D65-R67 PolarHBondContact O-N 3.14Å; D65-E68 PolarHBondContact O-N 3.34Å; D65-K69 WeakPolarHBondContact O-CG 3.44Å; D65-K69 PolarHBondContact O-N 3.37Å; D65-K69 VanDerWaalsContact O-N 3.1Å
66	E	94.5	Very high	92.2	Very high	29 Å²	29	50.5 Å²	50.5	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-35.8	-178.7	-165	65.1	-142.5	0	0	111.7	K62 V64 K69 N70 Y85 N88 T89	K62-E66 VanDerWaalsContact O-CB 3.23Å; K62-E66 WeakPolarHBondContact O-CB 3.48Å; K62-E66 PolarHBondContact O-N 2.88Å; V64-E66 PolarHBondContact O-N 3.32Å; E66-K69 PolarHBondContact O-N 2.96Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 2.77Å; E66-N70 VanDerWaalsContact O-N 3.17Å; E66-Y85 HydrophobicContact CG-CD2 3.53Å; E66-Y85 HydrophobicContact CG-CE2 3.92Å; E66-Y85 HydrophobicContact CG-CG 4.37Å; E66-N88 HydrophobicContact CB-CB 3.85Å; E66-N88 HydrophobicContact CG-CB 3.73Å; E66-N88 PolarHBondContact OE2-ND2 3.47Å; E66-T89 HydrophobicContact CB-CG2 3.98Å; E66-T89 HydrophobicContact CG-CG2 3.93Å
67	R	91.4	Very high	92.1	Very high	39 Å²	39	57.1 Å²	57.1	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-36.2	175.7	-75.8	-176.9	177.6	-72.2	-8.4	112.7	M22 I63 V64 D65 N70 T89	M22-R67 HydrophobicContact CE-CB 3.69Å; M22-R67 HydrophobicContact SD-CB 4.2Å; I63-R67 WeakPolarHBondContact O-CB 3.36Å; I63-R67 VanDerWaalsContact O-CG 3.23Å; I63-R67 WeakPolarHBondContact O-CG 3.44Å; I63-R67 PolarHBondContact O-N 3.26Å; I63-R67 VanDerWaalsContact O-N 3.14Å; V64-R67 PolarHBondContact O-N 3.38Å; D65-R67 VanDerWaalsContact C-N 3.34Å; D65-R67 PolarHBondContact O-N 3.14Å; R67-N70 PolarHBondContact O-N 3.35Å; R67-T89 HydrophobicContact CG-CG2 4.44Å
68	E	91.3	Very high	92.1	Very high	36 Å²	36	56.6 Å²	56.6	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-46.8	173.8	-172.9	179.9	174.7	0	0	111.3	L19 M22 Q23 K26 V64 D65 N70 L71	L19-E68 HydrophobicContact CD2-CG 3.78Å; M22-E68 HydrophobicContact CB-CB 4.03Å; M22-E68 HydrophobicContact CB-CG 4.03Å; M22-E68 HydrophobicContact CG-CB 4Å; M22-E68 HydrophobicContact CG-CG 4.27Å; Q23-E68 PolarHBondContact NE2-OE1 3.32Å; K26-E68 WeakPolarHBondContact CE-OE2 3.31Å; K26-E68 IonicContact NZ-OE2 2.72Å; K26-E68 PolarHBondContact NZ-OE2 3.36Å; V64-E68 PolarHBondContact O-N 3.42Å; D65-E68 PolarHBondContact O-N 3.34Å; E68-N70 PolarHBondContact O-N 3.43Å; E68-L71 HydrophobicContact CG-CD1 4.34Å; E68-L71 WeakPolarHBondContact O-CB 3.42Å; E68-L71 WeakPolarHBondContact O-CG 3.22Å; E68-L71 PolarHBondContact O-N 3.34Å; E68-L71 VanDerWaalsContact O-N 3.14Å
69	K	89.8	Confident	92.1	Very high	144 Å²	144	50.3 Å²	50.3	63%	0.626	23%	0.232	S	C	*	.	H	α-helix	trans	-58	-33.5	175.9	-69.5	172.5	-172	173.7	0	112.5	D65 E66 L71	D65-K69 WeakPolarHBondContact O-CG 3.44Å; D65-K69 PolarHBondContact O-N 3.37Å; D65-K69 VanDerWaalsContact O-N 3.1Å; E66-K69 PolarHBondContact O-N 2.96Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 2.89Å
70	N	87.9	Confident	92.2	Very high	21 Å²	21	53 Å²	53	11%	0.112	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-83.9	6.4	-178.2	-165.5	-106.2	0	0	0	114.6	K9 E66 R67 E68 D72 Y85	K9-N70 PolarHBondContact NZ-O 3.41Å; K9-N70 PolarHBondContact NZ-OD1 2.9Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 2.77Å; E66-N70 VanDerWaalsContact O-N 3.17Å; R67-N70 PolarHBondContact O-N 3.35Å; E68-N70 PolarHBondContact O-N 3.43Å; N70-D72 PolarHBondContact O-N 3.15Å; N70-Y85 HydrophobicContact CB-CD2 4.33Å; N70-Y85 HydrophobicContact CB-CE2 3.65Å
71	L	85.9	Confident	92.2	Very high	20 Å²	20	56 Å²	56	11%	0.105	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-68.3	-20.2	175.3	-71.3	174.4	0	0	0	113.6	L19 M22 E68 K69 D73	L19-L71 HydrophobicContact CD2-CD1 3.74Å; L19-L71 HydrophobicContact CG-CD1 4.06Å; M22-L71 HydrophobicContact CE-CD2 4.19Å; M22-L71 HydrophobicContact CG-CD1 4.03Å; E68-L71 HydrophobicContact CG-CD1 4.34Å; E68-L71 WeakPolarHBondContact O-CB 3.42Å; E68-L71 WeakPolarHBondContact O-CG 3.22Å; E68-L71 PolarHBondContact O-N 3.34Å; E68-L71 VanDerWaalsContact O-N 3.14Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 2.89Å; L71-D73 PolarHBondContact O-N 3.41Å
72	D	80.8	Confident	92.3	Very high	63 Å²	63	54.7 Å²	54.7	34%	0.337	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-77.4	0.2	-176	-76.7	-11.2	0	0	0	114.9	K15 N70 K74	K15-D72 WeakPolarHBondContact CE-OD1 3.38Å; K15-D72 IonicContact NZ-OD1 2.62Å; K15-D72 PolarHBondContact NZ-OD1 3.16Å; K15-D72 IonicContact NZ-OD2 2.7Å; N70-D72 PolarHBondContact O-N 3.15Å; D72-K74 HydrophobicContact CB-CD 3.94Å; D72-K74 HydrophobicContact CB-CG 3.96Å; D72-K74 PolarHBondContact O-N 3.31Å; D72-K74 IonicContact OD2-NZ 2.61Å; D72-K74 PolarHBondContact OD2-NZ 3.27Å
73	D	80.3	Confident	92.3	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	25%	0.246	S	C	.	.			trans	51.8	29.1	-178	-71	-39.6	0	0	0	115.2	K9 L71 K136 F138	K9-D73 WeakPolarHBondContact CE-OD1 3.38Å; K9-D73 IonicContact NZ-OD1 3.93Å; K9-D73 PolarHBondContact NZ-OD1 3.33Å; L71-D73 PolarHBondContact O-N 3.41Å; D73-K136 HydrophobicContact CB-CD 4.49Å; D73-K136 IonicContact OD1-NZ 3.65Å; D73-K136 WeakPolarHBondContact OD2-CE 3.36Å; D73-K136 IonicContact OD2-NZ 2.85Å; D73-K136 PolarHBondContact OD2-NZ 2.89Å; D73-F138 HydrophobicContact CB-CE1 4.1Å; D73-F138 HydrophobicContact CB-CZ 4.1Å; D73-F138 WeakPolarHBondContact O-CE1 3.28Å; D73-F138 WeakPolarHBondContact OD1-CZ 3.36Å
74	K	86.8	Confident	92.4	Very high	132 Å²	132	56.4 Å²	56.4	57%	0.574	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-71.8	134.2	175.9	-69	169.2	179.5	153	0	110.2	D72	D72-K74 HydrophobicContact CB-CD 3.94Å; D72-K74 HydrophobicContact CB-CG 3.96Å; D72-K74 PolarHBondContact O-N 3.31Å; D72-K74 IonicContact OD2-NZ 2.61Å; D72-K74 PolarHBondContact OD2-NZ 3.27Å
75	A	89.4	Confident	92.5	Very high	25 Å²	25	57.8 Å²	57.8	21%	0.207	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65	149.5	167.3	0	0	0	0	0	109.9	M141	A75-M141 HydrophobicContact CB-CG 4.1Å; A75-M141 HydrophobicContact CB-SD 4.27Å
76	Y	95.1	Very high	92.7	Very high	16 Å²	16	55.4 Å²	55.4	6%	0.063	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.2	133.9	175.6	-59.8	-67.6	0	0	0	109.9	N78 E81 L82 Y85 F138 M141	Y76-N78 VanDerWaalsContact C-N 3.33Å; Y76-E81 HydrophobicContact CD1-CB 4.12Å; Y76-E81 HydrophobicContact CD1-CG 3.84Å; Y76-L82 HydrophobicContact CD1-CB 4.39Å; Y76-L82 HydrophobicContact CD2-CB 3.91Å; Y76-L82 HydrophobicContact CD2-CD1 3.96Å; Y76-L82 HydrophobicContact CD2-CG 4.36Å; Y76-L82 HydrophobicContact CE2-CB 4.29Å; Y76-L82 HydrophobicContact CE2-CD1 3.52Å; Y76-L82 HydrophobicContact CE2-CG 4.39Å; Y76-L82 HydrophobicContact CG-CB 3.99Å; Y76-Y85 HydrophobicContact CE1-CG 4.15Å; Y76-Y85 WeakPolarHBondContact OH-CD1 2.87Å; Y76-F138 WeakPolarHBondContact CD2-O 3.17Å; Y76-F138 HydrophobicContact CE2-CB 4.39Å; Y76-F138 WeakPolarHBondContact CE2-O 3.42Å; Y76-M141 WeakPolarHBondContact O-CG 3.47Å; Y76-M141 PolarHBondContact O-N 3.16Å
77	R	95.8	Very high	92.8	Very high	196 Å²	196	55.4 Å²	55.4	74%	0.74	26%	0.255	S	S	*	.	S	Bend	trans	-67.1	-40.3	177.7	-64	175.3	-178.8	176.1	-0.1	111.3	E81 D142	R77-E81 WeakPolarHBondContact CB-OE2 3.46Å; R77-E81 WeakPolarHBondContact CG-OE2 3.23Å; R77-E81 PolarHBondContact N-OE2 2.88Å; R77-D142 PolarHBondContact O-N 2.64Å; R77-D142 VanDerWaalsContact O-N 3.11Å
78	N	97.3	Very high	93.1	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.332	26%	0.257	S	S	.	.	S	Bend	trans	-147.1	169.2	-179.3	57.2	46.1	0	0	0	112.7	Y76 K80 E81 L82 D142	Y76-N78 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 3.24Å; N78-K80 WeakPolarHBondContact OD1-CA 3.42Å; N78-K80 VanDerWaalsContact OD1-CB 3.29Å; N78-K80 WeakPolarHBondContact OD1-CB 3.32Å; N78-K80 PolarHBondContact OD1-N 2.66Å; N78-K80 VanDerWaalsContact OD1-N 3.13Å; N78-E81 PolarHBondContact O-N 3.49Å; N78-E81 PolarHBondContact OD1-N 2.95Å; N78-L82 PolarHBondContact O-N 2.89Å; N78-D142 VanDerWaalsContact CA-OD1 3.26Å; N78-D142 WeakPolarHBondContact CA-OD1 3.46Å; N78-D142 WeakPolarHBondContact CA-OD2 3.27Å; N78-D142 HydrophobicContact CB-CB 4.12Å; N78-D142 WeakPolarHBondContact CB-OD2 3.4Å
79	I	97.6	Very high	93.4	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.138	25%	0.25	C	S	.	.	H	α-helix	trans	-57.9	-32	177.4	-170.4	67.7	0	0	0	111.9	E81 L82 E83 I121 P140 D142 I143 I170 Q173	I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.38Å; I79-L82 HydrophobicContact CD1-CD2 4.15Å; I79-L82 WeakPolarHBondContact O-CB 3.2Å; I79-L82 PolarHBondContact O-N 3.24Å; I79-E83 PolarHBondContact O-N 2.94Å; I79-I121 HydrophobicContact CD1-CD1 4.44Å; I79-P140 HydrophobicContact CB-CG 4.47Å; I79-P140 HydrophobicContact CD1-CG 3.89Å; I79-D142 PolarHBondContact N-OD1 3.21Å; I79-D142 PolarHBondContact N-OD2 3.35Å; I79-I143 HydrophobicContact CB-CD1 4.1Å; I79-I143 HydrophobicContact CD1-CD1 4.31Å; I79-I170 HydrophobicContact CD1-CG2 4.47Å; I79-Q173 HydrophobicContact CD1-CB 4.33Å; I79-Q173 HydrophobicContact CD1-CG 4.41Å; I79-Q173 HydrophobicContact CG1-CB 4.31Å; I79-Q173 HydrophobicContact CG1-CG 4.1Å
80	K	97.9	Very high	93.7	Very high	102 Å²	102	48.6 Å²	48.6	44%	0.443	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-36.1	-178.9	-170.6	57.5	175.9	-176.1	0	112.6	N78 E83 N84	N78-K80 PolarHBondContact O-N 3.24Å; N78-K80 WeakPolarHBondContact OD1-CA 3.42Å; N78-K80 VanDerWaalsContact OD1-CB 3.29Å; N78-K80 WeakPolarHBondContact OD1-CB 3.32Å; N78-K80 PolarHBondContact OD1-N 2.66Å; N78-K80 VanDerWaalsContact OD1-N 3.13Å; K80-E83 VanDerWaalsContact CD-OE2 3.27Å; K80-E83 WeakPolarHBondContact CD-OE2 3Å; K80-E83 IonicContact NZ-OE2 2.79Å; K80-E83 PolarHBondContact NZ-OE2 2.92Å; K80-E83 PolarHBondContact O-N 3.47Å; K80-N84 WeakPolarHBondContact O-CB 3.42Å; K80-N84 PolarHBondContact O-N 3.4Å; K80-N84 PolarHBondContact O-ND2 2.83Å
81	E	97.3	Very high	94.1	Very high	70 Å²	70	47.6 Å²	47.6	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-41.4	175	-163.4	-176.9	166.8	0	0	111.2	Y76 R77 N78 I79 N84 Y85	Y76-E81 HydrophobicContact CD1-CB 4.12Å; Y76-E81 HydrophobicContact CD1-CG 3.84Å; R77-E81 WeakPolarHBondContact CB-OE2 3.46Å; R77-E81 WeakPolarHBondContact CG-OE2 3.23Å; R77-E81 PolarHBondContact N-OE2 2.88Å; N78-E81 PolarHBondContact O-N 3.49Å; N78-E81 PolarHBondContact OD1-N 2.95Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.38Å; E81-N84 PolarHBondContact O-N 3.38Å; E81-Y85 WeakPolarHBondContact O-CB 3.38Å; E81-Y85 PolarHBondContact O-N 3.45Å
82	L	97.2	Very high	94.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-43.1	173.7	173.9	57.6	0	0	0	111.6	Y76 N78 I79 Y85 A86 I121 C124 P140	Y76-L82 HydrophobicContact CD1-CB 4.39Å; Y76-L82 HydrophobicContact CD2-CB 3.91Å; Y76-L82 HydrophobicContact CD2-CD1 3.96Å; Y76-L82 HydrophobicContact CD2-CG 4.36Å; Y76-L82 HydrophobicContact CE2-CB 4.29Å; Y76-L82 HydrophobicContact CE2-CD1 3.52Å; Y76-L82 HydrophobicContact CE2-CG 4.39Å; Y76-L82 HydrophobicContact CG-CB 3.99Å; N78-L82 PolarHBondContact O-N 2.89Å; I79-L82 HydrophobicContact CD1-CD2 4.15Å; I79-L82 WeakPolarHBondContact O-CB 3.2Å; I79-L82 PolarHBondContact O-N 3.24Å; L82-Y85 PolarHBondContact O-N 3.5Å; L82-A86 WeakPolarHBondContact O-CB 3.03Å; L82-A86 PolarHBondContact O-N 3.39Å; L82-I121 HydrophobicContact CD2-CB 4.45Å; L82-I121 HydrophobicContact CD2-CG1 4.06Å; L82-I121 HydrophobicContact CD2-CG2 4.45Å; L82-I121 HydrophobicContact CG-CG1 4.16Å; L82-C124 HydrophobicContact CD1-CB 3.95Å; L82-C124 HydrophobicContact CD2-CB 4.05Å; L82-P140 HydrophobicContact CB-CG 4.48Å; L82-P140 HydrophobicContact CD2-CG 3.94Å
83	E	98	Very high	95.5	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-42.6	173.7	-73.7	176.8	-170.2	0	0	112.4	I79 K80 A86 E87 K117 I121 H177	I79-E83 PolarHBondContact O-N 2.94Å; K80-E83 VanDerWaalsContact CD-OE2 3.27Å; K80-E83 WeakPolarHBondContact CD-OE2 3Å; K80-E83 IonicContact NZ-OE2 2.79Å; K80-E83 PolarHBondContact NZ-OE2 2.92Å; K80-E83 PolarHBondContact O-N 3.47Å; E83-A86 WeakPolarHBondContact O-CB 3.3Å; E83-A86 PolarHBondContact O-N 3.27Å; E83-E87 WeakPolarHBondContact O-CB 3.33Å; E83-E87 PolarHBondContact O-N 3.24Å; E83-K117 HydrophobicContact CB-CD 4.4Å; E83-K117 HydrophobicContact CB-CG 4.38Å; E83-I121 HydrophobicContact CG-CD1 4.39Å; E83-H177 IonicContact OE1-NE2 3.18Å; E83-H177 PolarHBondContact OE1-NE2 2.79Å
84	N	97.9	Very high	96.3	Very high	75 Å²	75	43.3 Å²	43.3	40%	0.401	20%	0.201	S	C	.	.	H	α-helix	trans	-65.7	-41.6	179.4	-73	-16.9	0	0	0	111.2	K80 E81 A86 E87 N88	K80-N84 WeakPolarHBondContact O-CB 3.42Å; K80-N84 PolarHBondContact O-N 3.4Å; K80-N84 PolarHBondContact O-ND2 2.83Å; E81-N84 PolarHBondContact O-N 3.38Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.04Å; N84-E87 PolarHBondContact O-N 3.4Å; N84-N88 PolarHBondContact O-N 2.9Å
85	Y	96.6	Very high	96.8	Very high	33 Å²	33	37.9 Å²	37.9	13%	0.129	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-45.2	172.2	177.2	-94.9	0	0	0	111.3	E66 N70 Y76 E81 L82 N88 T89	E66-Y85 HydrophobicContact CG-CD2 3.53Å; E66-Y85 HydrophobicContact CG-CE2 3.92Å; E66-Y85 HydrophobicContact CG-CG 4.37Å; N70-Y85 HydrophobicContact CB-CD2 4.33Å; N70-Y85 HydrophobicContact CB-CE2 3.65Å; Y76-Y85 HydrophobicContact CE1-CG 4.15Å; Y76-Y85 WeakPolarHBondContact OH-CD1 2.87Å; E81-Y85 WeakPolarHBondContact O-CB 3.38Å; E81-Y85 PolarHBondContact O-N 3.45Å; L82-Y85 PolarHBondContact O-N 3.5Å; Y85-N88 PolarHBondContact O-N 3.4Å; Y85-T89 HydrophobicContact CE1-CG2 4.35Å; Y85-T89 HydrophobicContact CE2-CG2 4.07Å; Y85-T89 WeakPolarHBondContact O-CB 3.49Å; Y85-T89 WeakPolarHBondContact O-CG2 3.19Å; Y85-T89 PolarHBondContact O-N 2.95Å; Y85-T89 PolarHBondContact O-OG1 2.91Å
86	A	97.3	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-38.9	177.7	0	0	0	0	0	112.5	L82 E83 N84 T89 Q90 S91	L82-A86 WeakPolarHBondContact O-CB 3.03Å; L82-A86 PolarHBondContact O-N 3.39Å; E83-A86 WeakPolarHBondContact O-CB 3.3Å; E83-A86 PolarHBondContact O-N 3.27Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.04Å; A86-T89 PolarHBondContact O-N 3.35Å; A86-Q90 WeakPolarHBondContact O-CA 3.32Å; A86-Q90 WeakPolarHBondContact O-CB 3.47Å; A86-Q90 PolarHBondContact O-N 3.29Å; A86-S91 PolarHBondContact O-N 3.21Å
87	E	98	Very high	97.3	Very high	29 Å²	29	38.2 Å²	38.2	14%	0.136	18%	0.177	C	C	.	.	I	π-helix	trans	-62.9	-48.2	175.8	-179.5	61.7	-158.7	0	0	111.7	E83 N84 T89 S91 S92 Y95 S113 K117	E83-E87 WeakPolarHBondContact O-CB 3.33Å; E83-E87 PolarHBondContact O-N 3.24Å; N84-E87 PolarHBondContact O-N 3.4Å; E87-T89 PolarHBondContact O-N 3.43Å; E87-S91 WeakPolarHBondContact CA-OG 3.3Å; E87-S91 VanDerWaalsContact O-CB 3.29Å; E87-S91 WeakPolarHBondContact O-CB 3.46Å; E87-S91 VanDerWaalsContact OE2-CB 3.27Å; E87-S91 WeakPolarHBondContact OE2-CB 3.41Å; E87-S91 PolarHBondContact OE2-OG 3.27Å; E87-S92 PolarHBondContact O-N 3.03Å; E87-S92 VanDerWaalsContact O-N 3.14Å; E87-S92 PolarHBondContact O-OG 3.4Å; E87-Y95 WeakPolarHBondContact OE1-CE2 3.45Å; E87-Y95 PolarHBondContact OE1-OH 2.86Å; E87-S113 PolarHBondContact OE2-OG 3.5Å; E87-K117 VanDerWaalsContact OE2-CE 3.28Å; E87-K117 WeakPolarHBondContact OE2-CE 3.29Å; E87-K117 IonicContact OE2-NZ 2.67Å
88	N	97.7	Very high	97.4	Very high	35 Å²	35	28.9 Å²	28.9	19%	0.187	14%	0.142	C	C	.	.	I	π-helix	trans	-73.1	-18	-178.7	-70.9	-28.1	0	0	0	113.1	K62 E66 N84 Y85 S92	K62-N88 PolarHBondContact NZ-OD1 2.91Å; E66-N88 HydrophobicContact CB-CB 3.85Å; E66-N88 HydrophobicContact CG-CB 3.73Å; E66-N88 PolarHBondContact OE2-ND2 3.47Å; N84-N88 PolarHBondContact O-N 2.9Å; Y85-N88 PolarHBondContact O-N 3.4Å; N88-S92 VanDerWaalsContact C-OG 3.3Å; N88-S92 WeakPolarHBondContact O-CB 3.4Å; N88-S92 PolarHBondContact O-OG 3.19Å
89	T	96.1	Very high	97.4	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	13%	0.134	C	C	.	.	I	π-helix	trans	-107	-69.2	178.9	59.2	0	0	0	0	113.8	E66 R67 Y85 A86 E87 L93	E66-T89 HydrophobicContact CB-CG2 3.98Å; E66-T89 HydrophobicContact CG-CG2 3.93Å; R67-T89 HydrophobicContact CG-CG2 4.44Å; Y85-T89 HydrophobicContact CE1-CG2 4.35Å; Y85-T89 HydrophobicContact CE2-CG2 4.07Å; Y85-T89 WeakPolarHBondContact O-CB 3.49Å; Y85-T89 WeakPolarHBondContact O-CG2 3.19Å; Y85-T89 PolarHBondContact O-N 2.95Å; Y85-T89 PolarHBondContact O-OG1 2.91Å; A86-T89 PolarHBondContact O-N 3.35Å; E87-T89 PolarHBondContact O-N 3.43Å; T89-L93 PolarHBondContact O-N 3.17Å
90	Q	96.3	Very high	97.3	Very high	38 Å²	38	29.7 Å²	29.7	18%	0.178	15%	0.145	C	C	.	.	I	π-helix	trans	-73.5	-43	-174.4	-57.6	-59.9	-39	0	0	111.9	A86 L93 L94 G116 Q119	A86-Q90 WeakPolarHBondContact O-CA 3.32Å; A86-Q90 WeakPolarHBondContact O-CB 3.47Å; A86-Q90 PolarHBondContact O-N 3.29Å; Q90-L93 WeakPolarHBondContact O-CB 3.28Å; Q90-L93 PolarHBondContact O-N 3.5Å; Q90-L94 PolarHBondContact O-N 3.31Å; Q90-L94 VanDerWaalsContact O-N 3.12Å; Q90-G116 WeakPolarHBondContact CB-O 3.4Å; Q90-Q119 HydrophobicContact CB-CB 4.39Å; Q90-Q119 HydrophobicContact CB-CG 4.36Å; Q90-Q119 HydrophobicContact CG-CB 4.4Å; Q90-Q119 HydrophobicContact CG-CG 4.06Å
91	S	98	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-67.8	-42.2	177	-48.4	0	0	0	0	111.3	A86 E87 L93 L94 Y95 S113 G116	A86-S91 PolarHBondContact O-N 3.21Å; E87-S91 WeakPolarHBondContact CA-OG 3.3Å; E87-S91 VanDerWaalsContact O-CB 3.29Å; E87-S91 WeakPolarHBondContact O-CB 3.46Å; E87-S91 VanDerWaalsContact OE2-CB 3.27Å; E87-S91 WeakPolarHBondContact OE2-CB 3.41Å; E87-S91 PolarHBondContact OE2-OG 3.27Å; S91-L93 PolarHBondContact O-N 3.11Å; S91-L94 CarbonylContact O-C 3.57Å; S91-L94 WeakPolarHBondContact O-CA 3.14Å; S91-L94 WeakPolarHBondContact O-CB 3.35Å; S91-L94 PolarHBondContact O-N 3.1Å; S91-Y95 VanDerWaalsContact O-CD2 3.25Å; S91-Y95 WeakPolarHBondContact O-CD2 3.23Å; S91-Y95 VanDerWaalsContact O-CG 3.31Å; S91-Y95 PolarHBondContact O-N 3.3Å; S91-S113 PolarHBondContact OG-O 3.16Å; S91-S113 VanDerWaalsContact OG-O 3.14Å; S91-G116 WeakPolarHBondContact OG-CA 3.45Å
92	S	97.9	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-51.7	-39.9	171.6	-64.2	0	0	0	0	113	E87 N88 Y95 L96	E87-S92 PolarHBondContact O-N 3.03Å; E87-S92 VanDerWaalsContact O-N 3.14Å; E87-S92 PolarHBondContact O-OG 3.4Å; N88-S92 VanDerWaalsContact C-OG 3.3Å; N88-S92 WeakPolarHBondContact O-CB 3.4Å; N88-S92 PolarHBondContact O-OG 3.19Å; S92-Y95 PolarHBondContact O-N 3.39Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 2.6Å; S92-L96 VanDerWaalsContact O-N 3.13Å
93	L	96.3	Very high	97.2	Very high	42 Å²	42	28.5 Å²	28.5	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-37.9	176.3	-178.7	62.2	0	0	0	112.3	W2 I63 T89 Q90 S91 L96 T97	W2-L93 HydrophobicContact CD2-CD1 3.9Å; W2-L93 VanDerWaalsContact CE2-CD1 3.42Å; W2-L93 HydrophobicContact CE3-CD1 4.31Å; W2-L93 HydrophobicContact CH2-CD1 3.89Å; W2-L93 HydrophobicContact CZ2-CD1 3.43Å; W2-L93 VanDerWaalsContact CZ2-CD1 3.43Å; W2-L93 HydrophobicContact CZ3-CD1 4.31Å; I63-L93 HydrophobicContact CD1-CB 4.48Å; T89-L93 PolarHBondContact O-N 3.17Å; Q90-L93 WeakPolarHBondContact O-CB 3.28Å; Q90-L93 PolarHBondContact O-N 3.5Å; S91-L93 PolarHBondContact O-N 3.11Å; L93-L96 PolarHBondContact O-N 2.68Å; L93-T97 PolarHBondContact O-N 2.91Å; L93-T97 PolarHBondContact O-OG1 3.11Å
94	L	97.3	Very high	96.9	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-40.6	174.3	-75.5	173.4	0	0	0	112.2	Q90 S91 L96 T97 L98 A112 I115 A195 F196	Q90-L94 PolarHBondContact O-N 3.31Å; Q90-L94 VanDerWaalsContact O-N 3.12Å; S91-L94 CarbonylContact O-C 3.57Å; S91-L94 WeakPolarHBondContact O-CA 3.14Å; S91-L94 WeakPolarHBondContact O-CB 3.35Å; S91-L94 PolarHBondContact O-N 3.1Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.19Å; L94-T97 CarbonylContact O-C 3.49Å; L94-T97 WeakPolarHBondContact O-CA 3.35Å; L94-T97 WeakPolarHBondContact O-CB 3.35Å; L94-T97 PolarHBondContact O-N 3.43Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.3Å; L94-A112 HydrophobicContact CB-CB 3.85Å; L94-A112 HydrophobicContact CD1-CB 4.34Å; L94-A112 VanDerWaalsContact CD1-O 3.31Å; L94-A112 WeakPolarHBondContact CD1-O 3.49Å; L94-I115 HydrophobicContact CD1-CB 3.86Å; L94-I115 HydrophobicContact CD1-CG2 3.73Å; L94-A195 VanDerWaalsContact CD2-O 3.3Å; L94-A195 WeakPolarHBondContact CD2-O 3.32Å; L94-F196 HydrophobicContact CD2-CD1 4.38Å
95	Y	98.1	Very high	96.8	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.071	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-46.6	174.1	-57.2	-41	0	0	0	111.1	W59 E87 S91 S92 T97 L98 E99 D109 A112 S113	W59-Y95 AromaticContact CD2-CD2 3.87Å; W59-Y95 HydrophobicContact CD2-CD2 3.87Å; W59-Y95 HydrophobicContact CD2-CG 4.43Å; W59-Y95 AromaticContact CE2-CD2 3.97Å; W59-Y95 AromaticContact CE3-CD2 3.66Å; W59-Y95 HydrophobicContact CE3-CD2 3.66Å; W59-Y95 HydrophobicContact CE3-CE2 4.3Å; W59-Y95 AromaticContact CH2-CD2 3.75Å; W59-Y95 HydrophobicContact CH2-CD2 3.75Å; W59-Y95 AromaticContact CH2-CE2 3.99Å; W59-Y95 HydrophobicContact CH2-CE2 3.99Å; W59-Y95 AromaticContact CZ2-CD2 3.94Å; W59-Y95 HydrophobicContact CZ2-CD2 3.94Å; W59-Y95 HydrophobicContact CZ2-CG 4.32Å; W59-Y95 AromaticContact CZ3-CD2 3.59Å; W59-Y95 HydrophobicContact CZ3-CD2 3.59Å; W59-Y95 AromaticContact CZ3-CE2 3.83Å; W59-Y95 HydrophobicContact CZ3-CE2 3.83Å; E87-Y95 WeakPolarHBondContact OE1-CE2 3.45Å; E87-Y95 PolarHBondContact OE1-OH 2.86Å; S91-Y95 VanDerWaalsContact O-CD2 3.25Å; S91-Y95 WeakPolarHBondContact O-CD2 3.23Å; S91-Y95 VanDerWaalsContact O-CG 3.31Å; S91-Y95 PolarHBondContact O-N 3.3Å; S92-Y95 PolarHBondContact O-N 3.39Å; Y95-T97 VanDerWaalsContact C-N 3.26Å; Y95-T97 PolarHBondContact O-N 3.43Å; Y95-L98 PolarHBondContact O-N 3.07Å; Y95-E99 WeakPolarHBondContact O-CG 3.4Å; Y95-E99 PolarHBondContact O-N 3.18Å; Y95-D109 HydrophobicContact CE1-CB 4.22Å; Y95-D109 WeakPolarHBondContact CE1-O 3.33Å; Y95-A112 HydrophobicContact CD1-CB 3.92Å; Y95-A112 HydrophobicContact CE1-CB 3.75Å; Y95-S113 WeakPolarHBondContact OH-CA 3.23Å; Y95-S113 WeakPolarHBondContact OH-CB 3.24Å
96	L	97.4	Very high	96.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-37.1	173.3	-70.7	166.4	0	0	0	112.1	W2 L55 W59 L60 I63 S92 L93 L94 E99 I100	W2-L96 HydrophobicContact CH2-CD1 4.38Å; L55-L96 HydrophobicContact CB-CD2 3.94Å; L55-L96 HydrophobicContact CD1-CD2 4.41Å; L55-L96 HydrophobicContact CD2-CD2 4.39Å; L55-L96 HydrophobicContact CG-CD2 4.47Å; W59-L96 HydrophobicContact CB-CD1 3.96Å; W59-L96 HydrophobicContact CB-CD2 3.9Å; W59-L96 HydrophobicContact CB-CG 3.68Å; W59-L96 HydrophobicContact CG-CD2 4.47Å; W59-L96 HydrophobicContact CG-CG 4.36Å; L60-L96 HydrophobicContact CD2-CD1 3.6Å; L60-L96 HydrophobicContact CG-CD1 3.98Å; L60-L96 HydrophobicContact CG-CD2 4.27Å; I63-L96 HydrophobicContact CD1-CD1 4.12Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 2.6Å; S92-L96 VanDerWaalsContact O-N 3.13Å; L93-L96 PolarHBondContact O-N 2.68Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.19Å; L96-E99 PolarHBondContact O-N 2.97Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.85Å
97	T	97.1	Very high	96.7	Very high	43 Å²	43	42.2 Å²	42.2	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-39.1	177.5	-54.4	0	0	0	0	111.5	L93 L94 Y95 I100 L101 A195	L93-T97 PolarHBondContact O-N 2.91Å; L93-T97 PolarHBondContact O-OG1 3.11Å; L94-T97 CarbonylContact O-C 3.49Å; L94-T97 WeakPolarHBondContact O-CA 3.35Å; L94-T97 WeakPolarHBondContact O-CB 3.35Å; L94-T97 PolarHBondContact O-N 3.43Å; Y95-T97 VanDerWaalsContact C-N 3.26Å; Y95-T97 PolarHBondContact O-N 3.43Å; T97-I100 PolarHBondContact O-N 3.23Å; T97-L101 WeakPolarHBondContact O-CG 3.4Å; T97-L101 PolarHBondContact O-N 3.38Å; T97-L101 VanDerWaalsContact O-N 3.12Å; T97-A195 HydrophobicContact CG2-CB 3.66Å
98	L	97.5	Very high	96.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-41.4	172.6	-67.7	176.5	0	0	0	111.6	L94 Y95 I100 L101 G102 I103 A108 A112 A192 A195 F196	L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.3Å; Y95-L98 PolarHBondContact O-N 3.07Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.23Å; L98-L101 CarbonylContact O-C 3.5Å; L98-L101 PolarHBondContact O-N 2.95Å; L98-L101 VanDerWaalsContact O-N 3.12Å; L98-G102 PolarHBondContact O-N 3.04Å; L98-G102 VanDerWaalsContact O-N 3.15Å; L98-I103 HydrophobicContact CB-CB 4.34Å; L98-I103 HydrophobicContact CD2-CB 4.44Å; L98-I103 HydrophobicContact CD2-CD1 4.17Å; L98-I103 HydrophobicContact CD2-CG2 4.4Å; L98-I103 PolarHBondContact O-N 3.41Å; L98-A108 HydrophobicContact CD1-CB 4Å; L98-A108 HydrophobicContact CD2-CB 4.41Å; L98-A112 HydrophobicContact CD1-CB 3.88Å; L98-A192 HydrophobicContact CD2-CB 3.79Å; L98-A195 HydrophobicContact CD2-CB 4.03Å; L98-F196 HydrophobicContact CD1-CE1 4.44Å; L98-F196 HydrophobicContact CD1-CZ 4.21Å; L98-F196 HydrophobicContact CD2-CE1 4.11Å; L98-F196 HydrophobicContact CD2-CZ 3.91Å; L98-F196 HydrophobicContact CG-CE1 4.49Å
99	E	97.1	Very high	96.6	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-42.4	174.1	-71.3	177	171.9	0	0	111.8	L55 T56 W59 Y95 L96 L101 G102	L55-E99 WeakPolarHBondContact CA-OE2 3.15Å; L55-E99 HydrophobicContact CD2-CB 3.78Å; T56-E99 WeakPolarHBondContact CB-OE1 3.34Å; T56-E99 PolarHBondContact N-OE2 2.98Å; T56-E99 PolarHBondContact OG1-OE1 3.13Å; W59-E99 PolarHBondContact NE1-OE1 3.06Å; Y95-E99 WeakPolarHBondContact O-CG 3.4Å; Y95-E99 PolarHBondContact O-N 3.18Å; L96-E99 PolarHBondContact O-N 2.97Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 2.91Å; E99-G102 WeakPolarHBondContact O-CA 3.2Å; E99-G102 PolarHBondContact O-N 2.88Å
100	I	96.9	Very high	96.7	Very high	72 Å²	72	45.7 Å²	45.7	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-39.4	174.7	-69.9	168.2	0	0	0	111.2	H53 L55 L96 T97 L98 G102	H53-I100 HydrophobicContact CB-CG1 4.34Å; H53-I100 PolarHBondContact CE1-O 3.45Å; H53-I100 PolarHBondContact ND1-O 2.95Å; L55-I100 HydrophobicContact CD2-CG1 3.74Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.85Å; T97-I100 PolarHBondContact O-N 3.23Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.23Å; I100-G102 PolarHBondContact O-N 3.04Å
101	L	96.3	Very high	96.8	Very high	71 Å²	71	43.9 Å²	43.9	37%	0.372	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2.3	176.5	-65.7	176.6	0	0	0	113.5	T97 L98 E99 I103 A195	T97-L101 WeakPolarHBondContact O-CG 3.4Å; T97-L101 PolarHBondContact O-N 3.38Å; T97-L101 VanDerWaalsContact O-N 3.12Å; L98-L101 CarbonylContact O-C 3.5Å; L98-L101 PolarHBondContact O-N 2.95Å; L98-L101 VanDerWaalsContact O-N 3.12Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 2.91Å; L101-I103 VanDerWaalsContact C-N 3.35Å; L101-I103 HydrophobicContact CB-CD1 3.7Å; L101-I103 HydrophobicContact CB-CG1 3.92Å; L101-I103 HydrophobicContact CD1-CD1 4.14Å; L101-A195 HydrophobicContact CD1-CB 3.85Å
102	G	96.4	Very high	96.8	Very high	65 Å²	65	43.9 Å²	43.9	67%	0.67	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	27.1	-178.3	0	0	0	0	0	113.4	L98 E99 I100	L98-G102 PolarHBondContact O-N 3.04Å; L98-G102 VanDerWaalsContact O-N 3.15Å; E99-G102 WeakPolarHBondContact O-CA 3.2Å; E99-G102 PolarHBondContact O-N 2.88Å; I100-G102 PolarHBondContact O-N 3.04Å
103	I	96.3	Very high	96.8	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.072	24%	0.237	C	C	.	.			trans	-102.2	123.1	-174.5	-58.6	173.3	0	0	0	109.2	L98 L101 D105 A108 K191 A192	L98-I103 HydrophobicContact CB-CB 4.34Å; L98-I103 HydrophobicContact CD2-CB 4.44Å; L98-I103 HydrophobicContact CD2-CD1 4.17Å; L98-I103 HydrophobicContact CD2-CG2 4.4Å; L98-I103 PolarHBondContact O-N 3.41Å; L101-I103 VanDerWaalsContact C-N 3.35Å; L101-I103 HydrophobicContact CB-CD1 3.7Å; L101-I103 HydrophobicContact CB-CG1 3.92Å; L101-I103 HydrophobicContact CD1-CD1 4.14Å; I103-D105 HydrophobicContact CG2-CB 4.08Å; I103-A108 HydrophobicContact CG2-CB 4.05Å; I103-K191 HydrophobicContact CD1-CB 3.99Å; I103-K191 WeakPolarHBondContact CD1-O 3.45Å; I103-A192 HydrophobicContact CD1-CB 3.58Å; I103-A192 VanDerWaalsContact CD1-N 3.26Å
104	K	92.9	Very high	96.9	Very high	190 Å²	190	44.3 Å²	44.3	83%	0.826	24%	0.235	S	C	*	.			trans	-127.7	87.2	173.4	-65.2	-176.6	178.8	-176.6	0	107.4
105	D	95.8	Very high	96.9	Very high	43 Å²	43	44 Å²	44	23%	0.23	23%	0.234	C	C	.	.			trans	-143.9	128	-173.7	179.5	-90.3	0	0	0	110.2	I103 H107 A108 D109 P189	I103-D105 HydrophobicContact CG2-CB 4.08Å; D105-H107 VanDerWaalsContact C-N 3.31Å; D105-H107 PolarHBondContact O-N 3.13Å; D105-H107 WeakPolarHBondContact OD1-CA 3.43Å; D105-H107 WeakPolarHBondContact OD1-CB 3.09Å; D105-H107 PolarHBondContact OD1-N 3.28Å; D105-A108 HydrophobicContact CB-CB 3.91Å; D105-A108 PolarHBondContact O-N 3.45Å; D105-A108 PolarHBondContact OD1-N 3.04Å; D105-D109 PolarHBondContact O-N 3.03Å; D105-P189 HydrophobicContact CB-CG 4.02Å
106	L	95.8	Very high	96.9	Very high	108 Å²	108	43.2 Å²	43.2	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-63	-37.4	-175.7	179.8	65.2	0	0	0	112.2	D109 H110	L106-D109 PolarHBondContact O-N 2.94Å; L106-H110 WeakPolarHBondContact CD1-NE2 3.26Å; L106-H110 PolarHBondContact O-CD2 3.22Å; L106-H110 PolarHBondContact O-N 3.29Å
107	H	96.4	Very high	97	Very high	72 Å²	72	44.4 Å²	44.4	33%	0.333	24%	0.236	S	C	.	.	H	α-helix	trans	-72.6	-36.6	179.3	-62	-61.8	0	0	0	111.5	D105 D109 H110 A111 T187 V188	D105-H107 VanDerWaalsContact C-N 3.31Å; D105-H107 PolarHBondContact O-N 3.13Å; D105-H107 WeakPolarHBondContact OD1-CA 3.43Å; D105-H107 WeakPolarHBondContact OD1-CB 3.09Å; D105-H107 PolarHBondContact OD1-N 3.28Å; H107-D109 VanDerWaalsContact C-N 3.33Å; H107-H110 PolarHBondContact O-N 3.35Å; H107-A111 WeakPolarHBondContact O-CB 3.48Å; H107-A111 PolarHBondContact O-N 2.89Å; H107-T187 WeakPolarHBondContact CB-OG1 3.45Å; H107-V188 HydrophobicContact CB-CG2 4.27Å
108	A	96.8	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-41.9	171.2	0	0	0	0	0	111.2	L98 I103 D105 A111 A112 V188 A192 F196	L98-A108 HydrophobicContact CD1-CB 4Å; L98-A108 HydrophobicContact CD2-CB 4.41Å; I103-A108 HydrophobicContact CG2-CB 4.05Å; D105-A108 HydrophobicContact CB-CB 3.91Å; D105-A108 PolarHBondContact O-N 3.45Å; D105-A108 PolarHBondContact OD1-N 3.04Å; A108-A111 PolarHBondContact O-N 3.27Å; A108-A112 VanDerWaalsContact O-CB 3.3Å; A108-A112 WeakPolarHBondContact O-CB 3.5Å; A108-A112 PolarHBondContact O-N 3.08Å; A108-V188 HydrophobicContact CB-CG1 4.35Å; A108-A192 HydrophobicContact CB-CB 4.4Å; A108-F196 WeakPolarHBondContact O-CZ 3.34Å
109	D	96.9	Very high	97.1	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-43	175.9	-71.8	-19.4	0	0	0	111.7	Y95 D105 L106 H107 A111 A112 S113	Y95-D109 HydrophobicContact CE1-CB 4.22Å; Y95-D109 WeakPolarHBondContact CE1-O 3.33Å; D105-D109 PolarHBondContact O-N 3.03Å; L106-D109 PolarHBondContact O-N 2.94Å; H107-D109 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 2.94Å; D109-A112 PolarHBondContact O-N 3.27Å; D109-S113 PolarHBondContact O-N 3.25Å
110	H	97.3	Very high	97.1	Very high	82 Å²	82	42.6 Å²	42.6	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-44.3	174	-73.7	-47.7	0	0	0	112.2	L106 H107 A112 S113 H114 F184	L106-H110 WeakPolarHBondContact CD1-NE2 3.26Å; L106-H110 PolarHBondContact O-CD2 3.22Å; L106-H110 PolarHBondContact O-N 3.29Å; H107-H110 PolarHBondContact O-N 3.35Å; H110-A112 PolarHBondContact O-N 3.27Å; H110-S113 PolarHBondContact O-N 3.43Å; H110-H114 PolarHBondContact O-CD2 3.13Å; H110-H114 VanDerWaalsContact O-CD2 3.31Å; H110-H114 PolarHBondContact O-N 3.42Å; H110-H114 VanDerWaalsContact O-N 3.16Å; H110-F184 HydrophobicContact CB-CE2 4.07Å; H110-F184 HydrophobicContact CB-CZ 4.07Å
111	A	97.8	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.5	0	0	0	0	0	111.2	H107 A108 D109 S113 H114 I115 F184 V188 F196	H107-A111 WeakPolarHBondContact O-CB 3.48Å; H107-A111 PolarHBondContact O-N 2.89Å; A108-A111 PolarHBondContact O-N 3.27Å; D109-A111 PolarHBondContact O-N 2.94Å; A111-S113 PolarHBondContact O-N 3.27Å; A111-H114 PolarHBondContact O-N 2.81Å; A111-I115 WeakPolarHBondContact O-CD1 3.25Å; A111-I115 WeakPolarHBondContact O-CG1 3.5Å; A111-I115 PolarHBondContact O-N 2.95Å; A111-F184 HydrophobicContact CB-CB 4.46Å; A111-F184 HydrophobicContact CB-CD2 4.44Å; A111-V188 HydrophobicContact CB-CG2 3.97Å; A111-F196 HydrophobicContact CB-CE2 3.95Å; A111-F196 HydrophobicContact CB-CZ 4.12Å
112	A	97.9	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-42.7	176.3	0	0	0	0	0	112.5	L94 Y95 L98 A108 D109 H110 H114 I115 G116 F196	L94-A112 HydrophobicContact CB-CB 3.85Å; L94-A112 HydrophobicContact CD1-CB 4.34Å; L94-A112 VanDerWaalsContact CD1-O 3.31Å; L94-A112 WeakPolarHBondContact CD1-O 3.49Å; Y95-A112 HydrophobicContact CD1-CB 3.92Å; Y95-A112 HydrophobicContact CE1-CB 3.75Å; L98-A112 HydrophobicContact CD1-CB 3.88Å; A108-A112 VanDerWaalsContact O-CB 3.3Å; A108-A112 WeakPolarHBondContact O-CB 3.5Å; A108-A112 PolarHBondContact O-N 3.08Å; D109-A112 PolarHBondContact O-N 3.27Å; H110-A112 PolarHBondContact O-N 3.27Å; A112-H114 PolarHBondContact O-N 2.93Å; A112-I115 PolarHBondContact O-N 3.19Å; A112-G116 PolarHBondContact O-N 3.29Å; A112-F196 HydrophobicContact CB-CE1 3.9Å; A112-F196 HydrophobicContact CB-CZ 4.21Å
113	S	98.3	Very high	97.2	Very high	13 Å²	13	34.4 Å²	34.4	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-50	175.6	-176.5	0	0	0	0	111.7	E87 S91 Y95 D109 H110 A111 G116 K117	E87-S113 PolarHBondContact OE2-OG 3.5Å; S91-S113 PolarHBondContact OG-O 3.16Å; S91-S113 VanDerWaalsContact OG-O 3.14Å; Y95-S113 WeakPolarHBondContact OH-CA 3.23Å; Y95-S113 WeakPolarHBondContact OH-CB 3.24Å; D109-S113 PolarHBondContact O-N 3.25Å; H110-S113 PolarHBondContact O-N 3.43Å; A111-S113 PolarHBondContact O-N 3.27Å; S113-G116 PolarHBondContact O-N 3.21Å; S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 3.26Å; S113-K117 PolarHBondContact OG-NZ 2.98Å
114	H	98.5	Very high	97.1	Very high	39 Å²	39	34.5 Å²	34.5	18%	0.181	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-41.3	-179.2	-81.4	-82.4	0	0	0	111.8	H110 A111 A112 K117 A118 H177 H180 A181	H110-H114 PolarHBondContact O-CD2 3.13Å; H110-H114 VanDerWaalsContact O-CD2 3.31Å; H110-H114 PolarHBondContact O-N 3.42Å; H110-H114 VanDerWaalsContact O-N 3.16Å; A111-H114 PolarHBondContact O-N 2.81Å; A112-H114 PolarHBondContact O-N 2.93Å; H114-K117 PolarHBondContact O-N 3.43Å; H114-A118 PolarHBondContact O-N 3.19Å; H114-H177 WeakPolarHBondContact CB-O 3.48Å; H114-H177 AromaticContact CE1-ND1 3.73Å; H114-H177 AromaticContact CG-ND1 3.84Å; H114-H177 AromaticContact ND1-CE1 3.8Å; H114-H177 AromaticContact ND1-CG 3.93Å; H114-H177 AromaticContact ND1-ND1 2.95Å; H114-H177 PolarHBondContact ND1-ND1 3.24Å; H114-H177 WeakPolarHBondContact O-CB 3.32Å; H114-H180 AromaticContact CE1-ND1 3.75Å; H114-A181 HydrophobicContact CB-CB 3.83Å
115	I	98.3	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-43.9	176.5	-65.4	165	0	0	0	110.7	L94 A111 A112 K117 A118 Q119 A181 F196 Q198 T199 L202 Y241	L94-I115 HydrophobicContact CD1-CB 3.86Å; L94-I115 HydrophobicContact CD1-CG2 3.73Å; A111-I115 WeakPolarHBondContact O-CD1 3.25Å; A111-I115 WeakPolarHBondContact O-CG1 3.5Å; A111-I115 PolarHBondContact O-N 2.95Å; A112-I115 PolarHBondContact O-N 3.19Å; I115-K117 PolarHBondContact O-N 3.34Å; I115-A118 PolarHBondContact O-N 3.44Å; I115-Q119 WeakPolarHBondContact O-CB 3.48Å; I115-Q119 PolarHBondContact O-N 3.11Å; I115-A181 HydrophobicContact CD1-CB 4.17Å; I115-A181 HydrophobicContact CG1-CB 3.55Å; I115-F196 HydrophobicContact CD1-CB 3.75Å; I115-F196 HydrophobicContact CD1-CD1 3.47Å; I115-F196 VanDerWaalsContact CD1-CD1 3.47Å; I115-F196 HydrophobicContact CD1-CD2 4Å; I115-F196 HydrophobicContact CD1-CE1 4.05Å; I115-F196 HydrophobicContact CD1-CE2 4.48Å; I115-F196 HydrophobicContact CD1-CG 3.46Å; I115-F196 VanDerWaalsContact CD1-CG 3.46Å; I115-Q198 HydrophobicContact CG2-CG 4.24Å; I115-T199 HydrophobicContact CB-CG2 4.36Å; I115-T199 HydrophobicContact CD1-CG2 3.78Å; I115-T199 HydrophobicContact CG1-CG2 3.71Å; I115-T199 HydrophobicContact CG2-CG2 3.7Å; I115-L202 HydrophobicContact CG2-CD1 4.46Å; I115-Y241 HydrophobicContact CD1-CD2 3.95Å; I115-Y241 HydrophobicContact CD1-CE2 3.9Å
116	G	98.1	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-41.5	178.7	0	0	0	0	0	112.3	Q90 S91 A112 S113 Q119 G120	Q90-G116 WeakPolarHBondContact CB-O 3.4Å; S91-G116 WeakPolarHBondContact OG-CA 3.45Å; A112-G116 PolarHBondContact O-N 3.29Å; S113-G116 PolarHBondContact O-N 3.21Å; G116-Q119 WeakPolarHBondContact O-CB 3.36Å; G116-Q119 PolarHBondContact O-N 2.91Å; G116-G120 PolarHBondContact O-N 3Å
117	K	98.6	Very high	97.1	Very high	30 Å²	30	25.7 Å²	25.7	13%	0.13	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-49.1	173	-72.3	170	-175.1	150.7	0	112.4	E83 E87 S113 H114 I115 Q119 G120 I121 H177	E83-K117 HydrophobicContact CB-CD 4.4Å; E83-K117 HydrophobicContact CB-CG 4.38Å; E87-K117 VanDerWaalsContact OE2-CE 3.28Å; E87-K117 WeakPolarHBondContact OE2-CE 3.29Å; E87-K117 IonicContact OE2-NZ 2.67Å; S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 3.26Å; S113-K117 PolarHBondContact OG-NZ 2.98Å; H114-K117 PolarHBondContact O-N 3.43Å; I115-K117 PolarHBondContact O-N 3.34Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.08Å; K117-G120 PolarHBondContact O-N 2.83Å; K117-I121 WeakPolarHBondContact O-CG1 3.21Å; K117-I121 PolarHBondContact O-N 2.92Å; K117-H177 WeakPolarHBondContact CD-CE1 3.36Å
118	A	98.5	Very high	97	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-57.4	-43	175.1	0	0	0	0	0	111.7	H114 I115 I121 V122 A174 H177 L202	H114-A118 PolarHBondContact O-N 3.19Å; I115-A118 PolarHBondContact O-N 3.44Å; A118-I121 PolarHBondContact O-N 3.16Å; A118-V122 WeakPolarHBondContact O-CB 3.39Å; A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 2.9Å; A118-A174 WeakPolarHBondContact CB-O 3.11Å; A118-H177 HydrophobicContact CB-CB 3.88Å; A118-L202 HydrophobicContact CB-CD1 4.26Å
119	Q	97.9	Very high	96.8	Very high	30 Å²	30	23.5 Å²	23.5	14%	0.14	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-44.1	176.7	-179.7	69	49.9	0	0	112.2	Q90 I115 G116 K117 T123 L202	Q90-Q119 HydrophobicContact CB-CB 4.39Å; Q90-Q119 HydrophobicContact CB-CG 4.36Å; Q90-Q119 HydrophobicContact CG-CB 4.4Å; Q90-Q119 HydrophobicContact CG-CG 4.06Å; I115-Q119 WeakPolarHBondContact O-CB 3.48Å; I115-Q119 PolarHBondContact O-N 3.11Å; G116-Q119 WeakPolarHBondContact O-CB 3.36Å; G116-Q119 PolarHBondContact O-N 2.91Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.08Å; Q119-T123 PolarHBondContact NE2-OG1 3.42Å; Q119-T123 VanDerWaalsContact O-CB 3.24Å; Q119-T123 WeakPolarHBondContact O-CB 3.46Å; Q119-T123 PolarHBondContact O-N 3.2Å; Q119-T123 PolarHBondContact O-OG1 3.21Å; Q119-L202 HydrophobicContact CB-CD1 4.05Å; Q119-L202 HydrophobicContact CB-CD2 4.36Å
120	G	96.8	Very high	96.5	Very high	8 Å²	8	25 Å²	25	8%	0.082	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-45.3	177.7	0	0	0	0	0	112.5	G116 K117 T123 C124	G116-G120 PolarHBondContact O-N 3Å; K117-G120 PolarHBondContact O-N 2.83Å; G120-T123 PolarHBondContact O-N 2.66Å; G120-C124 PolarHBondContact O-N 2.92Å
121	I	98.3	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-49.2	177.8	-62.5	164.7	0	0	0	110.8	I79 L82 E83 K117 A118 T123 C124 L125 I170 Q173 A174	I79-I121 HydrophobicContact CD1-CD1 4.44Å; L82-I121 HydrophobicContact CD2-CB 4.45Å; L82-I121 HydrophobicContact CD2-CG1 4.06Å; L82-I121 HydrophobicContact CD2-CG2 4.45Å; L82-I121 HydrophobicContact CG-CG1 4.16Å; E83-I121 HydrophobicContact CG-CD1 4.39Å; K117-I121 WeakPolarHBondContact O-CG1 3.21Å; K117-I121 PolarHBondContact O-N 2.92Å; A118-I121 PolarHBondContact O-N 3.16Å; I121-T123 VanDerWaalsContact C-N 3.27Å; I121-T123 PolarHBondContact O-N 2.88Å; I121-C124 WeakPolarHBondContact O-CB 3.5Å; I121-C124 PolarHBondContact O-N 3.16Å; I121-C124 VanDerWaalsContact O-N 3.16Å; I121-L125 HydrophobicContact CG2-CD1 4.44Å; I121-L125 PolarHBondContact O-N 3.35Å; I121-I170 HydrophobicContact CG2-CG2 3.52Å; I121-I170 WeakPolarHBondContact CG2-O 3.18Å; I121-Q173 HydrophobicContact CD1-CB 4.23Å; I121-A174 HydrophobicContact CB-CB 3.93Å; I121-A174 HydrophobicContact CD1-CB 4.4Å; I121-A174 HydrophobicContact CG2-CB 3.75Å
122	V	97.6	Very high	96	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-38.1	176.7	165.1	0	0	0	0	111.5	A118 L125 R126 A174 L202 F205 L206	A118-V122 WeakPolarHBondContact O-CB 3.39Å; A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 2.9Å; V122-L125 PolarHBondContact O-N 3.32Å; V122-R126 HydrophobicContact CG1-CG 4.17Å; V122-R126 VanDerWaalsContact O-CB 3.32Å; V122-R126 WeakPolarHBondContact O-CB 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.39Å; V122-R126 PolarHBondContact O-N 3.28Å; V122-A174 HydrophobicContact CG2-CB 3.95Å; V122-L202 HydrophobicContact CB-CD2 3.76Å; V122-L202 HydrophobicContact CG1-CD2 3.7Å; V122-L202 HydrophobicContact CG2-CD2 4.04Å; V122-F205 HydrophobicContact CB-CD1 4.39Å; V122-F205 HydrophobicContact CG1-CB 4.24Å; V122-F205 HydrophobicContact CG1-CD1 3.48Å; V122-F205 VanDerWaalsContact CG1-CD1 3.48Å; V122-F205 HydrophobicContact CG1-CE1 4.1Å; V122-F205 HydrophobicContact CG1-CG 3.99Å; V122-F205 HydrophobicContact CG2-CD1 4.25Å; V122-L206 HydrophobicContact CG2-CD2 4Å; V122-L206 HydrophobicContact CG2-CG 4.13Å
123	T	95.6	Very high	95.6	Very high	34 Å²	34	27.2 Å²	27.2	21%	0.209	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-41.1	176.6	-59.8	0	0	0	0	111.4	Q119 G120 I121 A127	Q119-T123 PolarHBondContact NE2-OG1 3.42Å; Q119-T123 VanDerWaalsContact O-CB 3.24Å; Q119-T123 WeakPolarHBondContact O-CB 3.46Å; Q119-T123 PolarHBondContact O-N 3.2Å; Q119-T123 PolarHBondContact O-OG1 3.21Å; G120-T123 PolarHBondContact O-N 2.66Å; I121-T123 VanDerWaalsContact C-N 3.27Å; I121-T123 PolarHBondContact O-N 2.88Å; T123-A127 VanDerWaalsContact O-CB 3.25Å; T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.35Å
124	C	95.6	Very high	95.2	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.108	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-52.7	174.2	-178.9	0	0	0	0	110.8	L82 G120 I121 R126 A127 T128 F138	L82-C124 HydrophobicContact CD1-CB 3.95Å; L82-C124 HydrophobicContact CD2-CB 4.05Å; G120-C124 PolarHBondContact O-N 2.92Å; I121-C124 WeakPolarHBondContact O-CB 3.5Å; I121-C124 PolarHBondContact O-N 3.16Å; I121-C124 VanDerWaalsContact O-N 3.16Å; C124-R126 PolarHBondContact O-N 2.87Å; C124-A127 PolarHBondContact O-N 2.95Å; C124-A127 VanDerWaalsContact O-N 3.13Å; C124-T128 PolarHBondContact O-N 3.49Å; C124-T128 PolarHBondContact O-OG1 2.9Å; C124-F138 PolarHBondContact SG-O 3.27Å
125	L	96.5	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-51.5	177.5	-71.8	174.8	0	0	0	112.1	I121 V122 A127 T128 L139 I167 I170 A171 F205 I216	I121-L125 HydrophobicContact CG2-CD1 4.44Å; I121-L125 PolarHBondContact O-N 3.35Å; V122-L125 PolarHBondContact O-N 3.32Å; L125-A127 PolarHBondContact O-N 3.26Å; L125-T128 VanDerWaalsContact O-CB 3.28Å; L125-T128 WeakPolarHBondContact O-CB 3.35Å; L125-T128 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-OG1 2.84Å; L125-T128 VanDerWaalsContact O-OG1 3.11Å; L125-L139 HydrophobicContact CD2-CD2 4.13Å; L125-I167 HydrophobicContact CD2-CD1 3.79Å; L125-I167 HydrophobicContact CD2-CG2 4.26Å; L125-I170 HydrophobicContact CD1-CG2 4.05Å; L125-I170 HydrophobicContact CD2-CB 4.05Å; L125-I170 HydrophobicContact CD2-CD1 4.48Å; L125-I170 HydrophobicContact CD2-CG2 3.68Å; L125-I170 HydrophobicContact CG-CG2 3.86Å; L125-A171 HydrophobicContact CD1-CB 3.94Å; L125-F205 HydrophobicContact CB-CE1 4.19Å; L125-F205 HydrophobicContact CB-CZ 4.44Å; L125-I216 HydrophobicContact CB-CD1 4.23Å; L125-I216 WeakPolarHBondContact O-CD1 3.5Å
126	R	94.4	Very high	94.6	Very high	136 Å²	136	45.1 Å²	45.1	51%	0.513	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-29.4	179.8	-75.3	174.3	66	126.2	7.1	113.4	V122 C124 F205	V122-R126 HydrophobicContact CG1-CG 4.17Å; V122-R126 VanDerWaalsContact O-CB 3.32Å; V122-R126 WeakPolarHBondContact O-CB 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.39Å; V122-R126 PolarHBondContact O-N 3.28Å; C124-R126 PolarHBondContact O-N 2.87Å; R126-F205 HydrophobicContact CB-CE2 4.49Å; R126-F205 HydrophobicContact CB-CZ 4.44Å; R126-F205 HydrophobicContact CG-CD1 4.08Å; R126-F205 HydrophobicContact CG-CD2 3.6Å; R126-F205 HydrophobicContact CG-CE1 3.77Å; R126-F205 HydrophobicContact CG-CE2 3.28Å; R126-F205 HydrophobicContact CG-CG 3.99Å; R126-F205 HydrophobicContact CG-CZ 3.35Å
127	A	92.9	Very high	94.3	Very high	20 Å²	20	45.8 Å²	45.8	17%	0.165	21%	0.212	C	C	.	.	H	α-helix	trans	-85.8	-11.8	-178.8	0	0	0	0	0	112.7	T123 C124 L125 Y130 H131	T123-A127 VanDerWaalsContact O-CB 3.25Å; T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.35Å; C124-A127 PolarHBondContact O-N 2.95Å; C124-A127 VanDerWaalsContact O-N 3.13Å; L125-A127 PolarHBondContact O-N 3.26Å; A127-Y130 WeakPolarHBondContact O-CB 3.5Å; A127-Y130 PolarHBondContact O-N 2.84Å; A127-Y130 VanDerWaalsContact O-N 3.1Å; A127-H131 VanDerWaalsContact CB-CD2 3.4Å; A127-H131 WeakPolarHBondContact CB-CD2 3.49Å; A127-H131 WeakPolarHBondContact CB-NE2 3.43Å; A127-H131 PolarHBondContact O-CD2 3.26Å; A127-H131 VanDerWaalsContact O-CD2 3.28Å; A127-H131 PolarHBondContact O-N 2.83Å
128	T	94.1	Very high	94.1	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-51.9	-50	-178.9	-59.9	0	0	0	0	113.2	C124 L125 Y130 H131 G132 L139 F154 I216	C124-T128 PolarHBondContact O-N 3.49Å; C124-T128 PolarHBondContact O-OG1 2.9Å; L125-T128 VanDerWaalsContact O-CB 3.28Å; L125-T128 WeakPolarHBondContact O-CB 3.35Å; L125-T128 PolarHBondContact O-N 3.28Å; L125-T128 PolarHBondContact O-OG1 2.84Å; L125-T128 VanDerWaalsContact O-OG1 3.11Å; T128-Y130 VanDerWaalsContact C-N 3.3Å; T128-Y130 PolarHBondContact O-N 3.34Å; T128-H131 PolarHBondContact O-N 3.43Å; T128-G132 PolarHBondContact O-N 3.39Å; T128-L139 HydrophobicContact CG2-CD1 4.19Å; T128-F154 HydrophobicContact CG2-CD1 4.2Å; T128-I216 HydrophobicContact CG2-CG2 4.45Å
129	P	92.8	Very high	93.9	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-35.2	179.6	-23.8	36.1	0	0	0	113.6	S133 I216 F217	P129-S133 PolarHBondContact O-N 3.45Å; P129-I216 HydrophobicContact CG-CG1 4.46Å; P129-I216 WeakPolarHBondContact CG-O 3.42Å; P129-F217 HydrophobicContact CB-CD1 4.24Å; P129-F217 HydrophobicContact CB-CE1 4.5Å; P129-F217 HydrophobicContact CG-CD1 4.18Å; P129-F217 HydrophobicContact CG-CE1 4.47Å
130	Y	91.1	Very high	93.9	Very high	90 Å²	90	43.8 Å²	43.8	35%	0.353	20%	0.203	S	C	.	.	H	α-helix	trans	-72.9	-42.2	179.3	167.4	-97.2	0	0	0	112.4	A127 T128 S133 R134	A127-Y130 WeakPolarHBondContact O-CB 3.5Å; A127-Y130 PolarHBondContact O-N 2.84Å; A127-Y130 VanDerWaalsContact O-N 3.1Å; T128-Y130 VanDerWaalsContact C-N 3.3Å; T128-Y130 PolarHBondContact O-N 3.34Å; Y130-S133 PolarHBondContact O-OG 3.49Å; Y130-R134 VanDerWaalsContact CZ-CZ 3.44Å; Y130-R134 PolarHBondContact OH-NH1 3.35Å; Y130-R134 PolarHBondContact OH-NH2 3.32Å
131	H	91.6	Very high	93.9	Very high	39 Å²	39	45.5 Å²	45.5	18%	0.181	21%	0.209	C	C	.	.	H	α-helix	trans	-70.6	-38.7	175.9	-67.9	-49.1	0	0	0	111.3	A127 T128 S133 R134 R135 K136 F138	A127-H131 VanDerWaalsContact CB-CD2 3.4Å; A127-H131 WeakPolarHBondContact CB-CD2 3.49Å; A127-H131 WeakPolarHBondContact CB-NE2 3.43Å; A127-H131 PolarHBondContact O-CD2 3.26Å; A127-H131 VanDerWaalsContact O-CD2 3.28Å; A127-H131 PolarHBondContact O-N 2.83Å; T128-H131 PolarHBondContact O-N 3.43Å; H131-S133 VanDerWaalsContact C-N 3.34Å; H131-S133 PolarHBondContact O-N 3.48Å; H131-R134 CarbonylContact O-C 3.5Å; H131-R134 WeakPolarHBondContact O-CA 3.34Å; H131-R134 PolarHBondContact O-N 3.18Å; H131-R135 PolarHBondContact O-N 3Å; H131-K136 CarbonylContact C-O 2.97Å; H131-K136 HydrophobicContact CB-CB 4.26Å; H131-K136 VanDerWaalsContact CB-O 3.29Å; H131-K136 WeakPolarHBondContact CB-O 3.38Å; H131-K136 PolarHBondContact O-N 3.04Å; H131-K136 VanDerWaalsContact O-O 3.06Å; H131-F138 HydrophobicContact CB-CD2 3.96Å; H131-F138 HydrophobicContact CB-CE2 4.04Å; H131-F138 AromaticContact CD2-CD2 3.48Å; H131-F138 VanDerWaalsContact CD2-CD2 3.48Å; H131-F138 WeakPolarHBondContact CD2-CD2 3.08Å; H131-F138 AromaticContact CD2-CE2 3.87Å; H131-F138 AromaticContact CE1-CE2 3.87Å; H131-F138 AromaticContact CG-CD2 3.59Å; H131-F138 AromaticContact CG-CE2 3.6Å; H131-F138 AromaticContact ND1-CE2 3.61Å; H131-F138 AromaticContact NE2-CD2 3.91Å
132	G	91.7	Very high	93.9	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-42.2	175.8	0	0	0	0	0	112.5	T128 R134 R135 K136	T128-G132 PolarHBondContact O-N 3.39Å; G132-R134 PolarHBondContact O-N 2.91Å; G132-R134 VanDerWaalsContact O-N 3.08Å; G132-R135 PolarHBondContact O-N 3.41Å; G132-K136 PolarHBondContact N-O 2.98Å
133	S	90.3	Very high	93.9	Very high	78 Å²	78	49.1 Å²	49.1	55%	0.545	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.7	174.7	66.7	0	0	0	0	114.1	P129 Y130 H131	P129-S133 PolarHBondContact O-N 3.45Å; Y130-S133 PolarHBondContact O-OG 3.49Å; H131-S133 VanDerWaalsContact C-N 3.34Å; H131-S133 PolarHBondContact O-N 3.48Å
134	R	91.1	Very high	94	Very high	130 Å²	130	47.5 Å²	47.5	49%	0.491	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	17.4	174.3	-62.6	-176.9	176.9	-159.3	-2.2	112.5	Y130 H131 G132 K136	Y130-R134 VanDerWaalsContact CZ-CZ 3.44Å; Y130-R134 PolarHBondContact OH-NH1 3.35Å; Y130-R134 PolarHBondContact OH-NH2 3.32Å; H131-R134 CarbonylContact O-C 3.5Å; H131-R134 WeakPolarHBondContact O-CA 3.34Å; H131-R134 PolarHBondContact O-N 3.18Å; G132-R134 PolarHBondContact O-N 2.91Å; G132-R134 VanDerWaalsContact O-N 3.08Å; R134-K136 VanDerWaalsContact C-N 3.28Å; R134-K136 PolarHBondContact O-N 3.4Å
135	R	91.1	Very high	94.1	Very high	217 Å²	217	53.5 Å²	53.5	82%	0.819	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	37	-177.7	-58.4	-164.6	177.4	-160.8	0.1	114	H131 G132	H131-R135 PolarHBondContact O-N 3Å; G132-R135 PolarHBondContact O-N 3.41Å
136	K	91.8	Very high	94.1	Very high	82 Å²	82	59.5 Å²	59.5	36%	0.357	28%	0.278	S	S	.	.			trans	-125.4	139.7	176.1	-65.3	-178	-176.8	179.9	0	110.7	D73 H131 G132 R134 F138	D73-K136 HydrophobicContact CB-CD 4.49Å; D73-K136 IonicContact OD1-NZ 3.65Å; D73-K136 WeakPolarHBondContact OD2-CE 3.36Å; D73-K136 IonicContact OD2-NZ 2.85Å; D73-K136 PolarHBondContact OD2-NZ 2.89Å; H131-K136 CarbonylContact C-O 2.97Å; H131-K136 HydrophobicContact CB-CB 4.26Å; H131-K136 VanDerWaalsContact CB-O 3.29Å; H131-K136 WeakPolarHBondContact CB-O 3.38Å; H131-K136 PolarHBondContact O-N 3.04Å; H131-K136 VanDerWaalsContact O-O 3.06Å; G132-K136 PolarHBondContact N-O 2.98Å; R134-K136 VanDerWaalsContact C-N 3.28Å; R134-K136 PolarHBondContact O-N 3.4Å; K136-F138 HydrophobicContact CB-CE2 3.76Å; K136-F138 HydrophobicContact CB-CZ 4.06Å; K136-F138 HydrophobicContact CD-CE2 4.29Å; K136-F138 HydrophobicContact CD-CZ 4.04Å
137	V	93	Very high	94.3	Very high	13 Å²	13	55 Å²	55	8%	0.079	26%	0.263	C	S	.	.			trans	-131	126.6	176.2	-177.9	0	0	0	0	108.4	L139 Q151 F154 L155	V137-L139 HydrophobicContact CG1-CB 4.25Å; V137-L139 HydrophobicContact CG1-CD1 4.43Å; V137-L139 HydrophobicContact CG1-CG 4.26Å; V137-Q151 HydrophobicContact CB-CB 4.31Å; V137-Q151 HydrophobicContact CB-CG 4.23Å; V137-Q151 HydrophobicContact CG1-CG 4.34Å; V137-Q151 HydrophobicContact CG2-CB 4.18Å; V137-F154 HydrophobicContact CG1-CB 4.41Å; V137-F154 HydrophobicContact CG1-CD2 4.27Å; V137-F154 HydrophobicContact CG1-CG 4.47Å; V137-F154 HydrophobicContact CG2-CB 4.05Å; V137-L155 HydrophobicContact CG2-CD2 3.58Å; V137-L155 HydrophobicContact CG2-CG 4.04Å
138	F	93.5	Very high	94.5	Very high	20 Å²	20	57.2 Å²	57.2	9%	0.088	29%	0.287	C	S	.	.			trans	-118.3	20.6	-177.7	-62.5	-74.1	0	0	0	112.2	D73 Y76 C124 H131 K136	D73-F138 HydrophobicContact CB-CE1 4.1Å; D73-F138 HydrophobicContact CB-CZ 4.1Å; D73-F138 WeakPolarHBondContact O-CE1 3.28Å; D73-F138 WeakPolarHBondContact OD1-CZ 3.36Å; Y76-F138 WeakPolarHBondContact CD2-O 3.17Å; Y76-F138 HydrophobicContact CE2-CB 4.39Å; Y76-F138 WeakPolarHBondContact CE2-O 3.42Å; C124-F138 PolarHBondContact SG-O 3.27Å; H131-F138 HydrophobicContact CB-CD2 3.96Å; H131-F138 HydrophobicContact CB-CE2 4.04Å; H131-F138 AromaticContact CD2-CD2 3.48Å; H131-F138 VanDerWaalsContact CD2-CD2 3.48Å; H131-F138 WeakPolarHBondContact CD2-CD2 3.08Å; H131-F138 AromaticContact CD2-CE2 3.87Å; H131-F138 AromaticContact CE1-CE2 3.87Å; H131-F138 AromaticContact CG-CD2 3.59Å; H131-F138 AromaticContact CG-CE2 3.6Å; H131-F138 AromaticContact ND1-CE2 3.61Å; H131-F138 AromaticContact NE2-CD2 3.91Å; K136-F138 HydrophobicContact CB-CE2 3.76Å; K136-F138 HydrophobicContact CB-CZ 4.06Å; K136-F138 HydrophobicContact CD-CE2 4.29Å; K136-F138 HydrophobicContact CD-CZ 4.04Å
139	L	95.3	Very high	94.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-76.3	151.4	177.4	-63.7	174.6	0	0	0	110.5	L125 T128 V137 M141 F154 I167 I170	L125-L139 HydrophobicContact CD2-CD2 4.13Å; T128-L139 HydrophobicContact CG2-CD1 4.19Å; V137-L139 HydrophobicContact CG1-CB 4.25Å; V137-L139 HydrophobicContact CG1-CD1 4.43Å; V137-L139 HydrophobicContact CG1-CG 4.26Å; L139-M141 PolarHBondContact O-N 3.32Å; L139-F154 HydrophobicContact CD1-CD1 3.65Å; L139-F154 HydrophobicContact CD1-CD2 4.1Å; L139-F154 HydrophobicContact CD1-CE1 3.29Å; L139-F154 HydrophobicContact CD1-CE2 3.78Å; L139-F154 HydrophobicContact CD1-CG 4.05Å; L139-F154 HydrophobicContact CD1-CZ 3.37Å; L139-I167 HydrophobicContact CD1-CD1 4.11Å; L139-I170 HydrophobicContact CB-CD1 4.31Å; L139-I170 HydrophobicContact CD2-CD1 3.95Å
140	P	97.3	Very high	94.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.			trans	-55.9	119.5	172.6	-26.1	36.2	0	0	0	112.6	I79 L82 D142 I143 C144 I170	I79-P140 HydrophobicContact CB-CG 4.47Å; I79-P140 HydrophobicContact CD1-CG 3.89Å; L82-P140 HydrophobicContact CB-CG 4.48Å; L82-P140 HydrophobicContact CD2-CG 3.94Å; P140-D142 WeakPolarHBondContact CB-OD1 3.46Å; P140-D142 PolarHBondContact O-N 3.31Å; P140-I143 HydrophobicContact CB-CD1 4.21Å; P140-I143 HydrophobicContact CB-CG1 4.43Å; P140-I143 HydrophobicContact CG-CD1 4.49Å; P140-I143 PolarHBondContact O-N 3.47Å; P140-C144 PolarHBondContact O-N 3.39Å; P140-C144 PolarHBondContact O-SG 3.47Å; P140-I170 HydrophobicContact CG-CD1 4.37Å; P140-I170 HydrophobicContact CG-CG1 4.4Å
141	M	96.8	Very high	94.9	Very high	44 Å²	44	58.3 Å²	58.3	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-71.3	-29.7	-174	-68.3	-51.9	-53.9	0	0	113.7	A75 Y76 L139 I143 C144 M145 Q151	A75-M141 HydrophobicContact CB-CG 4.1Å; A75-M141 HydrophobicContact CB-SD 4.27Å; Y76-M141 WeakPolarHBondContact O-CG 3.47Å; Y76-M141 PolarHBondContact O-N 3.16Å; L139-M141 PolarHBondContact O-N 3.32Å; M141-I143 PolarHBondContact O-N 3.27Å; M141-C144 HydrophobicContact CE-CB 4.28Å; M141-C144 PolarHBondContact O-N 2.93Å; M141-M145 WeakPolarHBondContact O-CB 3.45Å; M141-M145 VanDerWaalsContact O-CG 3.22Å; M141-M145 WeakPolarHBondContact O-CG 3.35Å; M141-M145 PolarHBondContact O-N 2.92Å; M141-Q151 HydrophobicContact CE-CG 3.85Å; M141-Q151 HydrophobicContact SD-CG 3.85Å; M141-Q151 PolarHBondContact SD-NE2 2.97Å
142	D	97.5	Very high	95	Very high	62 Å²	62	60.5 Å²	60.5	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-57.2	-45.2	173.1	61.9	-22.7	0	0	0	112.6	R77 N78 I79 P140 M145 L146	R77-D142 PolarHBondContact O-N 2.64Å; R77-D142 VanDerWaalsContact O-N 3.11Å; N78-D142 VanDerWaalsContact CA-OD1 3.26Å; N78-D142 WeakPolarHBondContact CA-OD1 3.46Å; N78-D142 WeakPolarHBondContact CA-OD2 3.27Å; N78-D142 HydrophobicContact CB-CB 4.12Å; N78-D142 WeakPolarHBondContact CB-OD2 3.4Å; I79-D142 PolarHBondContact N-OD1 3.21Å; I79-D142 PolarHBondContact N-OD2 3.35Å; P140-D142 WeakPolarHBondContact CB-OD1 3.46Å; P140-D142 PolarHBondContact O-N 3.31Å; D142-M145 PolarHBondContact O-N 2.87Å; D142-L146 WeakPolarHBondContact O-CB 3.4Å; D142-L146 PolarHBondContact O-N 2.81Å
143	I	98	Very high	95.2	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-71.9	-41	178.9	-60.8	172.2	0	0	0	110.1	I79 P140 M141 M145 L146 H147 V166 D169 I170	I79-I143 HydrophobicContact CB-CD1 4.1Å; I79-I143 HydrophobicContact CD1-CD1 4.31Å; P140-I143 HydrophobicContact CB-CD1 4.21Å; P140-I143 HydrophobicContact CB-CG1 4.43Å; P140-I143 HydrophobicContact CG-CD1 4.49Å; P140-I143 PolarHBondContact O-N 3.47Å; M141-I143 PolarHBondContact O-N 3.27Å; I143-M145 VanDerWaalsContact C-N 3.31Å; I143-M145 PolarHBondContact O-N 3.3Å; I143-L146 WeakPolarHBondContact O-CB 3.29Å; I143-L146 PolarHBondContact O-N 2.89Å; I143-H147 PolarHBondContact O-CD2 2.84Å; I143-H147 PolarHBondContact O-N 2.91Å; I143-V166 HydrophobicContact CG2-CB 4.39Å; I143-V166 HydrophobicContact CG2-CG1 4.01Å; I143-D169 HydrophobicContact CG2-CB 3.81Å; I143-I170 HydrophobicContact CB-CG1 4.49Å; I143-I170 HydrophobicContact CD1-CG1 3.6Å; I143-I170 HydrophobicContact CG2-CG1 4.22Å
144	C	97.3	Very high	95.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-46.9	173.3	-65.4	0	0	0	0	111.3	P140 M141 H147 G148 V149	P140-C144 PolarHBondContact O-N 3.39Å; P140-C144 PolarHBondContact O-SG 3.47Å; M141-C144 HydrophobicContact CE-CB 4.28Å; M141-C144 PolarHBondContact O-N 2.93Å; C144-H147 PolarHBondContact O-N 3.42Å; C144-G148 PolarHBondContact O-N 3.19Å; C144-V149 CarbonylContact C-O 3.53Å; C144-V149 WeakPolarHBondContact CB-O 3.35Å; C144-V149 PolarHBondContact O-N 3.17Å
145	M	97.1	Very high	95.6	Very high	143 Å²	143	54.4 Å²	54.4	70%	0.704	28%	0.279	S	S	*	.	H	α-helix	trans	-64.4	-39.5	178.2	-74.1	174.4	58.9	0	0	112.7	M141 D142 I143 H147 G148	M141-M145 WeakPolarHBondContact O-CB 3.45Å; M141-M145 VanDerWaalsContact O-CG 3.22Å; M141-M145 WeakPolarHBondContact O-CG 3.35Å; M141-M145 PolarHBondContact O-N 2.92Å; D142-M145 PolarHBondContact O-N 2.87Å; I143-M145 VanDerWaalsContact C-N 3.31Å; I143-M145 PolarHBondContact O-N 3.3Å; M145-H147 PolarHBondContact O-N 3.4Å; M145-G148 PolarHBondContact O-N 2.89Å
146	L	97.8	Very high	95.7	Very high	125 Å²	125	52.8 Å²	52.8	65%	0.654	27%	0.272	S	S	*	.	H	α-helix	trans	-55.3	-37.9	177.7	179.3	64.7	0	0	0	112.2	D142 I143	D142-L146 WeakPolarHBondContact O-CB 3.4Å; D142-L146 PolarHBondContact O-N 2.81Å; I143-L146 WeakPolarHBondContact O-CB 3.29Å; I143-L146 PolarHBondContact O-N 2.89Å
147	H	97.9	Very high	95.8	Very high	43 Å²	43	55.5 Å²	55.5	20%	0.199	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.8	179.7	-67.4	-70.6	0	0	0	113.8	I143 C144 M145 V149 N162 V166 D169	I143-H147 PolarHBondContact O-CD2 2.84Å; I143-H147 PolarHBondContact O-N 2.91Å; C144-H147 PolarHBondContact O-N 3.42Å; M145-H147 PolarHBondContact O-N 3.4Å; H147-V149 HydrophobicContact CB-CG2 4.01Å; H147-V149 PolarHBondContact O-N 3.38Å; H147-N162 PolarHBondContact O-ND2 3.38Å; H147-V166 HydrophobicContact CB-CG2 3.62Å; H147-D169 IonicContact CD2-OD2 2.81Å; H147-D169 IonicContact CE1-OD2 3.99Å; H147-D169 IonicContact NE2-OD2 2.63Å; H147-D169 PolarHBondContact NE2-OD2 3.48Å
148	G	97.3	Very high	95.7	Very high	65 Å²	65	56.7 Å²	56.7	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	26.2	-178.5	0	0	0	0	0	114	C144 M145	C144-G148 PolarHBondContact O-N 3.19Å; M145-G148 PolarHBondContact O-N 2.89Å
149	V	97.4	Very high	95.6	Very high	9 Å²	9	60 Å²	60	6%	0.055	30%	0.302	C	S	.	.			trans	-97.6	129.5	-178	-178.7	0	0	0	0	110	C144 H147 D153 F154 N162 V163 V166	C144-V149 CarbonylContact C-O 3.53Å; C144-V149 WeakPolarHBondContact CB-O 3.35Å; C144-V149 PolarHBondContact O-N 3.17Å; H147-V149 HydrophobicContact CB-CG2 4.01Å; H147-V149 PolarHBondContact O-N 3.38Å; V149-D153 HydrophobicContact CG1-CB 3.8Å; V149-F154 HydrophobicContact CG1-CD2 4.13Å; V149-F154 HydrophobicContact CG1-CE2 3.46Å; V149-F154 VanDerWaalsContact CG1-CE2 3.46Å; V149-F154 HydrophobicContact CG1-CZ 3.92Å; V149-N162 HydrophobicContact CG2-CB 3.62Å; V149-N162 WeakPolarHBondContact CG2-O 3.43Å; V149-V163 HydrophobicContact CG1-CG2 3.94Å; V149-V163 HydrophobicContact CG2-CG2 4.36Å; V149-V166 HydrophobicContact CB-CG2 3.99Å; V149-V166 HydrophobicContact CG2-CG2 3.74Å
150	S	95.6	Very high	95.6	Very high	53 Å²	53	64.5 Å²	64.5	37%	0.371	33%	0.326	S	S	.	.			trans	-88.5	165	175.9	74.3	0	0	0	0	111.6	E152 D153 F154	S150-E152 PolarHBondContact O-N 2.78Å; S150-E152 PolarHBondContact OG-N 2.9Å; S150-D153 WeakPolarHBondContact CB-OD2 3.27Å; S150-D153 PolarHBondContact N-OD2 2.63Å; S150-D153 PolarHBondContact O-N 3.34Å; S150-D153 PolarHBondContact OG-N 3.02Å; S150-D153 PolarHBondContact OG-OD2 3.38Å; S150-F154 WeakPolarHBondContact O-CD2 3.47Å
151	Q	93.6	Very high	95.5	Very high	78 Å²	78	71.2 Å²	71.2	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-62.7	-32.8	170.8	-67.4	-175.4	-13	0	0	111.9	V137 M141 D153 F154 L155	V137-Q151 HydrophobicContact CB-CB 4.31Å; V137-Q151 HydrophobicContact CB-CG 4.23Å; V137-Q151 HydrophobicContact CG1-CG 4.34Å; V137-Q151 HydrophobicContact CG2-CB 4.18Å; M141-Q151 HydrophobicContact CE-CG 3.85Å; M141-Q151 HydrophobicContact SD-CG 3.85Å; M141-Q151 PolarHBondContact SD-NE2 2.97Å; Q151-D153 PolarHBondContact O-N 3.04Å; Q151-F154 PolarHBondContact O-N 3.46Å; Q151-F154 VanDerWaalsContact O-N 3.14Å; Q151-L155 WeakPolarHBondContact O-CG 3.3Å; Q151-L155 PolarHBondContact O-N 3.12Å; Q151-L155 VanDerWaalsContact O-N 3.14Å
152	E	94.3	Very high	95.6	Very high	84 Å²	84	73 Å²	73	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-32.8	-179.7	-178.3	67.5	179.4	0	0	111.8	S150 F154 L155 R156	S150-E152 PolarHBondContact O-N 2.78Å; S150-E152 PolarHBondContact OG-N 2.9Å; E152-F154 VanDerWaalsContact C-N 3.29Å; E152-F154 PolarHBondContact O-N 2.96Å; E152-L155 PolarHBondContact O-N 3.14Å; E152-L155 VanDerWaalsContact O-N 3.1Å; E152-R156 HydrophobicContact CG-CG 4.31Å; E152-R156 WeakPolarHBondContact O-CB 3.44Å; E152-R156 WeakPolarHBondContact O-CG 3.46Å; E152-R156 PolarHBondContact O-N 2.83Å; E152-R156 IonicContact OE1-CZ 3.76Å; E152-R156 VanDerWaalsContact OE1-CZ 3.29Å; E152-R156 IonicContact OE1-NE 3.89Å; E152-R156 PolarHBondContact OE1-NE 3.14Å; E152-R156 IonicContact OE1-NH2 2.79Å; E152-R156 PolarHBondContact OE1-NH2 2.86Å
153	D	95.5	Very high	95.5	Very high	39 Å²	39	70.3 Å²	70.3	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-41.8	175.3	-66.5	-59.2	0	0	0	111.5	V149 S150 Q151 R157 N158 V163	V149-D153 HydrophobicContact CG1-CB 3.8Å; S150-D153 WeakPolarHBondContact CB-OD2 3.27Å; S150-D153 PolarHBondContact N-OD2 2.63Å; S150-D153 PolarHBondContact O-N 3.34Å; S150-D153 PolarHBondContact OG-N 3.02Å; S150-D153 PolarHBondContact OG-OD2 3.38Å; Q151-D153 PolarHBondContact O-N 3.04Å; D153-R157 PolarHBondContact O-N 3.2Å; D153-N158 HydrophobicContact CB-CB 4.08Å; D153-N158 VanDerWaalsContact O-CB 3.29Å; D153-N158 WeakPolarHBondContact O-CB 3.3Å; D153-N158 PolarHBondContact O-N 2.78Å; D153-N158 PolarHBondContact OD1-ND2 3.34Å; D153-V163 HydrophobicContact CB-CG2 4.12Å
154	F	94.2	Very high	95.5	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.009	36%	0.36	C	S	.	.	H	α-helix	trans	-70.4	-35.3	174.7	-65.7	-77.1	0	0	0	112.4	T128 V137 L139 V149 S150 Q151 E152 R156 R157 V163 V166 I167 F217	T128-F154 HydrophobicContact CG2-CD1 4.2Å; V137-F154 HydrophobicContact CG1-CB 4.41Å; V137-F154 HydrophobicContact CG1-CD2 4.27Å; V137-F154 HydrophobicContact CG1-CG 4.47Å; V137-F154 HydrophobicContact CG2-CB 4.05Å; L139-F154 HydrophobicContact CD1-CD1 3.65Å; L139-F154 HydrophobicContact CD1-CD2 4.1Å; L139-F154 HydrophobicContact CD1-CE1 3.29Å; L139-F154 HydrophobicContact CD1-CE2 3.78Å; L139-F154 HydrophobicContact CD1-CG 4.05Å; L139-F154 HydrophobicContact CD1-CZ 3.37Å; V149-F154 HydrophobicContact CG1-CD2 4.13Å; V149-F154 HydrophobicContact CG1-CE2 3.46Å; V149-F154 VanDerWaalsContact CG1-CE2 3.46Å; V149-F154 HydrophobicContact CG1-CZ 3.92Å; S150-F154 WeakPolarHBondContact O-CD2 3.47Å; Q151-F154 PolarHBondContact O-N 3.46Å; Q151-F154 VanDerWaalsContact O-N 3.14Å; E152-F154 VanDerWaalsContact C-N 3.29Å; E152-F154 PolarHBondContact O-N 2.96Å; F154-R156 VanDerWaalsContact C-N 3.34Å; F154-R157 PolarHBondContact O-N 3.29Å; F154-V163 HydrophobicContact CD1-CG1 4.02Å; F154-V163 HydrophobicContact CE1-CG1 3.5Å; F154-V163 HydrophobicContact CZ-CG1 4.03Å; F154-V166 HydrophobicContact CZ-CB 4.21Å; F154-V166 HydrophobicContact CZ-CG1 3.82Å; F154-I167 HydrophobicContact CE1-CD1 4.03Å; F154-I167 HydrophobicContact CE1-CG1 4.36Å; F154-F217 HydrophobicContact CD1-CZ 4.28Å; F154-F217 WeakPolarHBondContact O-CZ 3.4Å
155	L	94.4	Very high	95.6	Very high	50 Å²	50	74.8 Å²	74.8	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-37	177.1	-63.3	-172.8	0	0	0	112	V137 Q151 E152 R157	V137-L155 HydrophobicContact CG2-CD2 3.58Å; V137-L155 HydrophobicContact CG2-CG 4.04Å; Q151-L155 WeakPolarHBondContact O-CG 3.3Å; Q151-L155 PolarHBondContact O-N 3.12Å; Q151-L155 VanDerWaalsContact O-N 3.14Å; E152-L155 PolarHBondContact O-N 3.14Å; E152-L155 VanDerWaalsContact O-N 3.1Å; L155-R157 PolarHBondContact O-N 3.07Å
156	R	94.3	Very high	95.6	Very high	182 Å²	182	68 Å²	68	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.1	175.2	-68.1	-177.9	-175.9	-175.1	4.6	113.9	E152 F154 N158	E152-R156 HydrophobicContact CG-CG 4.31Å; E152-R156 WeakPolarHBondContact O-CB 3.44Å; E152-R156 WeakPolarHBondContact O-CG 3.46Å; E152-R156 PolarHBondContact O-N 2.83Å; E152-R156 IonicContact OE1-CZ 3.76Å; E152-R156 VanDerWaalsContact OE1-CZ 3.29Å; E152-R156 IonicContact OE1-NE 3.89Å; E152-R156 PolarHBondContact OE1-NE 3.14Å; E152-R156 IonicContact OE1-NH2 2.79Å; E152-R156 PolarHBondContact OE1-NH2 2.86Å; F154-R156 VanDerWaalsContact C-N 3.34Å; R156-N158 VanDerWaalsContact C-N 3.26Å; R156-N158 PolarHBondContact O-N 3.4Å
157	R	93.2	Very high	95.7	Very high	140 Å²	140	62 Å²	62	53%	0.528	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	41.3	-173.7	-53.2	-178.5	174.3	-175.6	-2.6	112.3	D153 F154 L155 Q159 F217	D153-R157 PolarHBondContact O-N 3.2Å; F154-R157 PolarHBondContact O-N 3.29Å; L155-R157 PolarHBondContact O-N 3.07Å; R157-Q159 PolarHBondContact O-N 2.88Å; R157-F217 HydrophobicContact CB-CD1 4.06Å; R157-F217 HydrophobicContact CB-CD2 4.06Å; R157-F217 HydrophobicContact CB-CE1 4.18Å; R157-F217 HydrophobicContact CB-CE2 4.18Å; R157-F217 HydrophobicContact CB-CG 4Å; R157-F217 HydrophobicContact CB-CZ 4.24Å; R157-F217 HydrophobicContact CG-CD1 3.88Å; R157-F217 HydrophobicContact CG-CE1 3.85Å; R157-F217 HydrophobicContact CG-CG 4.33Å; R157-F217 HydrophobicContact CG-CZ 4.28Å
158	N	91	Very high	95.7	Very high	38 Å²	38	65.2 Å²	65.2	20%	0.203	32%	0.317	C	S	.	.			trans	-60.4	136.7	174.4	-170.2	-3.8	0	0	0	109.6	D153 R156 D160 V163	D153-N158 HydrophobicContact CB-CB 4.08Å; D153-N158 VanDerWaalsContact O-CB 3.29Å; D153-N158 WeakPolarHBondContact O-CB 3.3Å; D153-N158 PolarHBondContact O-N 2.78Å; D153-N158 PolarHBondContact OD1-ND2 3.34Å; R156-N158 VanDerWaalsContact C-N 3.26Å; R156-N158 PolarHBondContact O-N 3.4Å; N158-D160 PolarHBondContact ND2-OD2 3.26Å; N158-D160 WeakPolarHBondContact OD1-CB 3.45Å; N158-D160 PolarHBondContact OD1-N 2.81Å; N158-D160 PolarHBondContact OD1-OD1 3.07Å; N158-D160 PolarHBondContact OD1-OD2 2.72Å; N158-D160 VanDerWaalsContact OD1-OD2 3.14Å; N158-V163 HydrophobicContact CB-CG2 4.18Å
159	Q	91.4	Very high	95.7	Very high	88 Å²	88	64.3 Å²	64.3	41%	0.411	30%	0.297	S	S	.	.			trans	-113.1	13.8	-178.4	-65	-173.9	-33	0	0	112.6	R157 R164 D215 F217	R157-Q159 PolarHBondContact O-N 2.88Å; Q159-R164 PolarHBondContact O-NE 3.45Å; Q159-R164 PolarHBondContact O-NH2 3.33Å; Q159-D215 VanDerWaalsContact NE2-CG 3.33Å; Q159-D215 PolarHBondContact NE2-OD1 3.41Å; Q159-D215 VanDerWaalsContact NE2-OD1 3.12Å; Q159-D215 PolarHBondContact NE2-OD2 3.12Å; Q159-F217 HydrophobicContact CG-CD2 4.48Å
160	D	94.9	Very high	95.8	Very high	96 Å²	96	63.9 Å²	63.9	51%	0.513	29%	0.294	S	S	.	.			trans	-55.1	155.6	176.4	-73.9	-18.9	0	0	0	112.5	N158 N162 V163 R164	N158-D160 PolarHBondContact ND2-OD2 3.26Å; N158-D160 WeakPolarHBondContact OD1-CB 3.45Å; N158-D160 PolarHBondContact OD1-N 2.81Å; N158-D160 PolarHBondContact OD1-OD1 3.07Å; N158-D160 PolarHBondContact OD1-OD2 2.72Å; N158-D160 VanDerWaalsContact OD1-OD2 3.14Å; D160-N162 VanDerWaalsContact C-N 3.25Å; D160-N162 PolarHBondContact O-N 2.93Å; D160-V163 WeakPolarHBondContact O-CB 3.27Å; D160-V163 PolarHBondContact O-N 3.13Å; D160-R164 PolarHBondContact O-N 2.97Å
161	K	96.6	Very high	95.9	Very high	141 Å²	141	61.5 Å²	61.5	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-52.5	-43.3	-179.8	-175	177.8	173.1	-70.8	0	112.3	V163 R164 D165	K161-V163 VanDerWaalsContact C-N 3.29Å; K161-V163 PolarHBondContact O-N 2.91Å; K161-R164 WeakPolarHBondContact O-CB 3.41Å; K161-R164 PolarHBondContact O-N 2.81Å; K161-R164 VanDerWaalsContact O-N 3.1Å; K161-D165 IonicContact NZ-OD1 3.61Å; K161-D165 IonicContact NZ-OD2 2.84Å; K161-D165 PolarHBondContact NZ-OD2 3.03Å; K161-D165 VanDerWaalsContact O-CG 3.26Å; K161-D165 PolarHBondContact O-N 3.26Å
162	N	97.4	Very high	96.2	Very high	81 Å²	81	59.3 Å²	59.3	43%	0.433	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-36.3	-178.9	-63.3	0.2	0	0	0	112.2	H147 V149 D160 D165 V166	H147-N162 PolarHBondContact O-ND2 3.38Å; V149-N162 HydrophobicContact CG2-CB 3.62Å; V149-N162 WeakPolarHBondContact CG2-O 3.43Å; D160-N162 VanDerWaalsContact C-N 3.25Å; D160-N162 PolarHBondContact O-N 2.93Å; N162-D165 PolarHBondContact O-N 3.5Å; N162-V166 WeakPolarHBondContact O-CG2 3.25Å; N162-V166 PolarHBondContact O-N 3.38Å
163	V	97.2	Very high	96.4	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-42.2	175.7	180	0	0	0	0	110.4	V149 D153 F154 N158 D160 K161 D165 V166 I167	V149-V163 HydrophobicContact CG1-CG2 3.94Å; V149-V163 HydrophobicContact CG2-CG2 4.36Å; D153-V163 HydrophobicContact CB-CG2 4.12Å; F154-V163 HydrophobicContact CD1-CG1 4.02Å; F154-V163 HydrophobicContact CE1-CG1 3.5Å; F154-V163 HydrophobicContact CZ-CG1 4.03Å; N158-V163 HydrophobicContact CB-CG2 4.18Å; D160-V163 WeakPolarHBondContact O-CB 3.27Å; D160-V163 PolarHBondContact O-N 3.13Å; K161-V163 VanDerWaalsContact C-N 3.29Å; K161-V163 PolarHBondContact O-N 2.91Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-V166 PolarHBondContact O-N 2.93Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 3.4Å
164	R	97.9	Very high	96.5	Very high	69 Å²	69	56.6 Å²	56.6	26%	0.26	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-40.1	175.4	-62	174.6	-171	-156.8	-1.8	111.6	Q159 D160 K161 V166 I167 Y168 D213 F214	Q159-R164 PolarHBondContact O-NE 3.45Å; Q159-R164 PolarHBondContact O-NH2 3.33Å; D160-R164 PolarHBondContact O-N 2.97Å; K161-R164 WeakPolarHBondContact O-CB 3.41Å; K161-R164 PolarHBondContact O-N 2.81Å; K161-R164 VanDerWaalsContact O-N 3.1Å; R164-V166 VanDerWaalsContact C-N 3.34Å; R164-V166 PolarHBondContact O-N 2.57Å; R164-I167 CarbonylContact O-C 3.59Å; R164-I167 PolarHBondContact O-N 2.99Å; R164-I167 VanDerWaalsContact O-N 3.14Å; R164-Y168 WeakPolarHBondContact O-CB 3.45Å; R164-Y168 PolarHBondContact O-N 3Å; R164-D213 WeakPolarHBondContact CD-O 3.34Å; R164-D213 IonicContact CZ-OD2 2.77Å; R164-D213 IonicContact NH1-OD2 3.27Å; R164-D213 PolarHBondContact NH1-OD2 3.49Å; R164-F214 HydrophobicContact CB-CB 4.36Å
165	D	98.2	Very high	96.7	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.214	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-38.3	177.6	-68.9	-20.1	0	0	0	111.4	K161 N162 V163 Y168 D169	K161-D165 IonicContact NZ-OD1 3.61Å; K161-D165 IonicContact NZ-OD2 2.84Å; K161-D165 PolarHBondContact NZ-OD2 3.03Å; K161-D165 VanDerWaalsContact O-CG 3.26Å; K161-D165 PolarHBondContact O-N 3.26Å; N162-D165 PolarHBondContact O-N 3.5Å; V163-D165 VanDerWaalsContact C-N 3.34Å; D165-Y168 WeakPolarHBondContact O-CB 3.43Å; D165-Y168 PolarHBondContact O-N 3.24Å; D165-D169 PolarHBondContact O-N 2.78Å
166	V	98.4	Very high	96.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-48.1	170.7	171.4	0	0	0	0	111.3	I143 H147 V149 F154 N162 V163 R164 Y168 D169 I170	I143-V166 HydrophobicContact CG2-CB 4.39Å; I143-V166 HydrophobicContact CG2-CG1 4.01Å; H147-V166 HydrophobicContact CB-CG2 3.62Å; V149-V166 HydrophobicContact CB-CG2 3.99Å; V149-V166 HydrophobicContact CG2-CG2 3.74Å; F154-V166 HydrophobicContact CZ-CB 4.21Å; F154-V166 HydrophobicContact CZ-CG1 3.82Å; N162-V166 WeakPolarHBondContact O-CG2 3.25Å; N162-V166 PolarHBondContact O-N 3.38Å; V163-V166 PolarHBondContact O-N 2.93Å; R164-V166 VanDerWaalsContact C-N 3.34Å; R164-V166 PolarHBondContact O-N 2.57Å; V166-Y168 VanDerWaalsContact C-N 3.31Å; V166-Y168 PolarHBondContact O-N 3.23Å; V166-D169 PolarHBondContact O-N 3.23Å; V166-I170 HydrophobicContact CG1-CD1 3.73Å; V166-I170 WeakPolarHBondContact O-CD1 3.48Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.43Å; V166-I170 PolarHBondContact O-N 2.92Å; V166-I170 VanDerWaalsContact O-N 3.16Å
167	I	98.3	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-37.5	-178.9	-63.2	-63.4	0	0	0	110.8	L125 L139 F154 V163 R164 A171 I209 F214 I216	L125-I167 HydrophobicContact CD2-CD1 3.79Å; L125-I167 HydrophobicContact CD2-CG2 4.26Å; L139-I167 HydrophobicContact CD1-CD1 4.11Å; F154-I167 HydrophobicContact CE1-CD1 4.03Å; F154-I167 HydrophobicContact CE1-CG1 4.36Å; V163-I167 WeakPolarHBondContact O-CG1 3.29Å; V163-I167 PolarHBondContact O-N 3.4Å; R164-I167 CarbonylContact O-C 3.59Å; R164-I167 PolarHBondContact O-N 2.99Å; R164-I167 VanDerWaalsContact O-N 3.14Å; I167-A171 WeakPolarHBondContact O-CB 2.8Å; I167-A171 PolarHBondContact O-N 3.32Å; I167-I209 HydrophobicContact CG2-CD1 3.45Å; I167-I209 VanDerWaalsContact CG2-CD1 3.45Å; I167-I209 HydrophobicContact CG2-CG1 4.21Å; I167-F214 HydrophobicContact CB-CB 4.25Å; I167-F214 HydrophobicContact CG2-CB 4.02Å; I167-F214 HydrophobicContact CG2-CD1 4.4Å; I167-F214 WeakPolarHBondContact CG2-O 3.2Å; I167-I216 HydrophobicContact CD1-CB 3.99Å; I167-I216 HydrophobicContact CD1-CG1 4.2Å; I167-I216 HydrophobicContact CD1-CG2 4.05Å; I167-I216 HydrophobicContact CG1-CB 4.04Å; I167-I216 HydrophobicContact CG1-CG2 4.12Å; I167-I216 HydrophobicContact CG2-CB 4.32Å; I167-I216 HydrophobicContact CG2-CD1 4.47Å
168	Y	98.4	Very high	97.2	Very high	110 Å²	110	47.9 Å²	47.9	43%	0.431	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-50.8	173.7	170.5	-94.7	0	0	0	111.7	R164 D165 V166 I170 A171 S172 F214	R164-Y168 WeakPolarHBondContact O-CB 3.45Å; R164-Y168 PolarHBondContact O-N 3Å; D165-Y168 WeakPolarHBondContact O-CB 3.43Å; D165-Y168 PolarHBondContact O-N 3.24Å; V166-Y168 VanDerWaalsContact C-N 3.31Å; V166-Y168 PolarHBondContact O-N 3.23Å; Y168-I170 PolarHBondContact O-N 3.45Å; Y168-A171 PolarHBondContact O-N 3.21Å; Y168-S172 VanDerWaalsContact O-CB 3.28Å; Y168-S172 WeakPolarHBondContact O-CB 3.45Å; Y168-S172 PolarHBondContact O-N 2.64Å; Y168-S172 PolarHBondContact O-OG 3.05Å; Y168-F214 HydrophobicContact CD2-CD1 4.32Å; Y168-F214 AromaticContact CD2-CD2 3.87Å; Y168-F214 HydrophobicContact CD2-CD2 3.87Å; Y168-F214 AromaticContact CD2-CE1 3.9Å; Y168-F214 HydrophobicContact CD2-CE1 3.9Å; Y168-F214 AromaticContact CD2-CE2 3.45Å; Y168-F214 HydrophobicContact CD2-CE2 3.45Å; Y168-F214 VanDerWaalsContact CD2-CE2 3.45Å; Y168-F214 HydrophobicContact CD2-CG 4.31Å; Y168-F214 AromaticContact CD2-CZ 3.45Å; Y168-F214 HydrophobicContact CD2-CZ 3.45Å; Y168-F214 VanDerWaalsContact CD2-CZ 3.45Å; Y168-F214 HydrophobicContact CE2-CE2 4.14Å; Y168-F214 HydrophobicContact CE2-CZ 4.03Å; Y168-F214 HydrophobicContact CG-CE2 4.47Å
169	D	98.4	Very high	97.5	Very high	45 Å²	45	52.6 Å²	52.6	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-43.6	-178.4	-81.3	-10.4	0	0	0	111.6	I143 H147 D165 V166 S172 Q173	I143-D169 HydrophobicContact CG2-CB 3.81Å; H147-D169 IonicContact CD2-OD2 2.81Å; H147-D169 IonicContact CE1-OD2 3.99Å; H147-D169 IonicContact NE2-OD2 2.63Å; H147-D169 PolarHBondContact NE2-OD2 3.48Å; D165-D169 PolarHBondContact O-N 2.78Å; V166-D169 PolarHBondContact O-N 3.23Å; D169-S172 WeakPolarHBondContact O-CB 3.45Å; D169-S172 PolarHBondContact O-N 3.12Å; D169-Q173 WeakPolarHBondContact O-CG 3.41Å; D169-Q173 PolarHBondContact O-N 3.12Å; D169-Q173 VanDerWaalsContact O-N 3.15Å
170	I	98.4	Very high	97.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-44.5	177.9	-62	164.4	0	0	0	110.8	I79 I121 L125 L139 P140 I143 V166 Y168 S172 Q173 A174	I79-I170 HydrophobicContact CD1-CG2 4.47Å; I121-I170 HydrophobicContact CG2-CG2 3.52Å; I121-I170 WeakPolarHBondContact CG2-O 3.18Å; L125-I170 HydrophobicContact CD1-CG2 4.05Å; L125-I170 HydrophobicContact CD2-CB 4.05Å; L125-I170 HydrophobicContact CD2-CD1 4.48Å; L125-I170 HydrophobicContact CD2-CG2 3.68Å; L125-I170 HydrophobicContact CG-CG2 3.86Å; L139-I170 HydrophobicContact CB-CD1 4.31Å; L139-I170 HydrophobicContact CD2-CD1 3.95Å; P140-I170 HydrophobicContact CG-CD1 4.37Å; P140-I170 HydrophobicContact CG-CG1 4.4Å; I143-I170 HydrophobicContact CB-CG1 4.49Å; I143-I170 HydrophobicContact CD1-CG1 3.6Å; I143-I170 HydrophobicContact CG2-CG1 4.22Å; V166-I170 HydrophobicContact CG1-CD1 3.73Å; V166-I170 WeakPolarHBondContact O-CD1 3.48Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.43Å; V166-I170 PolarHBondContact O-N 2.92Å; V166-I170 VanDerWaalsContact O-N 3.16Å; Y168-I170 PolarHBondContact O-N 3.45Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.34Å; I170-Q173 PolarHBondContact O-N 3.15Å; I170-A174 PolarHBondContact O-N 3.46Å
171	A	98.4	Very high	97.8	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-34.9	177.4	0	0	0	0	0	111.8	L125 I167 Y168 Q173 A174 H175 L206 F214	L125-A171 HydrophobicContact CD1-CB 3.94Å; I167-A171 WeakPolarHBondContact O-CB 2.8Å; I167-A171 PolarHBondContact O-N 3.32Å; Y168-A171 PolarHBondContact O-N 3.21Å; A171-Q173 VanDerWaalsContact C-N 3.34Å; A171-Q173 PolarHBondContact O-N 2.93Å; A171-A174 WeakPolarHBondContact O-CB 3.43Å; A171-A174 PolarHBondContact O-N 3.36Å; A171-H175 PolarHBondContact O-N 2.85Å; A171-L206 HydrophobicContact CB-CD2 4.14Å; A171-F214 HydrophobicContact CB-CD1 4.14Å; A171-F214 HydrophobicContact CB-CE1 3.94Å
172	S	98.4	Very high	97.7	Very high	32 Å²	32	44.7 Å²	44.7	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.6	175.6	-65.7	0	0	0	0	111.5	Y168 D169 I170 A174 H175 L176	Y168-S172 VanDerWaalsContact O-CB 3.28Å; Y168-S172 WeakPolarHBondContact O-CB 3.45Å; Y168-S172 PolarHBondContact O-N 2.64Å; Y168-S172 PolarHBondContact O-OG 3.05Å; D169-S172 WeakPolarHBondContact O-CB 3.45Å; D169-S172 PolarHBondContact O-N 3.12Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.34Å; S172-A174 PolarHBondContact O-N 2.96Å; S172-H175 WeakPolarHBondContact O-CB 3.4Å; S172-H175 PolarHBondContact O-N 3.34Å; S172-L176 WeakPolarHBondContact O-CG 3.14Å; S172-L176 PolarHBondContact O-N 2.76Å
173	Q	98.4	Very high	97.6	Very high	67 Å²	67	45 Å²	45	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-43.1	174.5	-63.9	-60.2	-32.8	0	0	112.1	I79 I121 D169 I170 A171 H175 L176 H177	I79-Q173 HydrophobicContact CD1-CB 4.33Å; I79-Q173 HydrophobicContact CD1-CG 4.41Å; I79-Q173 HydrophobicContact CG1-CB 4.31Å; I79-Q173 HydrophobicContact CG1-CG 4.1Å; I121-Q173 HydrophobicContact CD1-CB 4.23Å; D169-Q173 WeakPolarHBondContact O-CG 3.41Å; D169-Q173 PolarHBondContact O-N 3.12Å; D169-Q173 VanDerWaalsContact O-N 3.15Å; I170-Q173 PolarHBondContact O-N 3.15Å; A171-Q173 VanDerWaalsContact C-N 3.34Å; A171-Q173 PolarHBondContact O-N 2.93Å; Q173-H175 VanDerWaalsContact C-N 3.32Å; Q173-H175 PolarHBondContact O-N 3.03Å; Q173-L176 PolarHBondContact O-N 3.49Å; Q173-H177 PolarHBondContact O-CD2 3.49Å; Q173-H177 VanDerWaalsContact O-CD2 3.27Å; Q173-H177 PolarHBondContact O-N 2.95Å; Q173-H177 VanDerWaalsContact O-N 3.08Å
174	A	98.3	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-41.1	173.7	0	0	0	0	0	112.4	A118 I121 V122 I170 A171 S172 H177 L178 L206	A118-A174 WeakPolarHBondContact CB-O 3.11Å; I121-A174 HydrophobicContact CB-CB 3.93Å; I121-A174 HydrophobicContact CD1-CB 4.4Å; I121-A174 HydrophobicContact CG2-CB 3.75Å; V122-A174 HydrophobicContact CG2-CB 3.95Å; I170-A174 PolarHBondContact O-N 3.46Å; A171-A174 WeakPolarHBondContact O-CB 3.43Å; A171-A174 PolarHBondContact O-N 3.36Å; S172-A174 PolarHBondContact O-N 2.96Å; A174-H177 PolarHBondContact O-N 3.19Å; A174-L178 PolarHBondContact O-N 3.39Å; A174-L206 HydrophobicContact CB-CD1 4.46Å; A174-L206 HydrophobicContact CB-CD2 4.16Å
175	H	98	Very high	97.1	Very high	98 Å²	98	47.1 Å²	47.1	45%	0.454	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-42	177.5	-175.6	71.5	0	0	0	112.3	A171 S172 Q173 H177 L178 K179 L206	A171-H175 PolarHBondContact O-N 2.85Å; S172-H175 WeakPolarHBondContact O-CB 3.4Å; S172-H175 PolarHBondContact O-N 3.34Å; Q173-H175 VanDerWaalsContact C-N 3.32Å; Q173-H175 PolarHBondContact O-N 3.03Å; H175-H177 PolarHBondContact O-N 2.96Å; H175-L178 PolarHBondContact O-N 3.36Å; H175-K179 WeakPolarHBondContact O-CB 3.38Å; H175-K179 PolarHBondContact O-N 3.24Å; H175-L206 HydrophobicContact CB-CD1 4.23Å
176	L	98.2	Very high	96.9	Very high	75 Å²	75	54.8 Å²	54.8	39%	0.393	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-44.7	175.6	-71.9	175	0	0	0	111.6	S172 Q173 L178 K179 H180	S172-L176 WeakPolarHBondContact O-CG 3.14Å; S172-L176 PolarHBondContact O-N 2.76Å; Q173-L176 PolarHBondContact O-N 3.49Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.24Å; L176-K179 PolarHBondContact O-N 3.27Å; L176-H180 PolarHBondContact O-CD2 3.38Å; L176-H180 PolarHBondContact O-N 3.33Å
177	H	98.4	Very high	96.7	Very high	16 Å²	16	58 Å²	58	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-45.8	173.5	-84.3	-67.7	0	0	0	112.1	E83 H114 K117 A118 Q173 A174 H175 K179 H180 A181	E83-H177 IonicContact OE1-NE2 3.18Å; E83-H177 PolarHBondContact OE1-NE2 2.79Å; H114-H177 WeakPolarHBondContact CB-O 3.48Å; H114-H177 AromaticContact CE1-ND1 3.73Å; H114-H177 AromaticContact CG-ND1 3.84Å; H114-H177 AromaticContact ND1-CE1 3.8Å; H114-H177 AromaticContact ND1-CG 3.93Å; H114-H177 AromaticContact ND1-ND1 2.95Å; H114-H177 PolarHBondContact ND1-ND1 3.24Å; H114-H177 WeakPolarHBondContact O-CB 3.32Å; K117-H177 WeakPolarHBondContact CD-CE1 3.36Å; A118-H177 HydrophobicContact CB-CB 3.88Å; Q173-H177 PolarHBondContact O-CD2 3.49Å; Q173-H177 VanDerWaalsContact O-CD2 3.27Å; Q173-H177 PolarHBondContact O-N 2.95Å; Q173-H177 VanDerWaalsContact O-N 3.08Å; A174-H177 PolarHBondContact O-N 3.19Å; H175-H177 PolarHBondContact O-N 2.96Å; H177-K179 VanDerWaalsContact C-N 3.33Å; H177-K179 PolarHBondContact O-N 3.14Å; H177-H180 PolarHBondContact O-N 3.13Å; H177-A181 PolarHBondContact O-N 3.4Å
178	L	96.8	Very high	96.5	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-41.3	178.2	-172.4	64.6	0	0	0	111.9	A174 H175 L176 A181 R182 T199 E203 L206	A174-L178 PolarHBondContact O-N 3.39Å; H175-L178 PolarHBondContact O-N 3.36Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.24Å; L178-A181 PolarHBondContact O-N 3.14Å; L178-R182 WeakPolarHBondContact O-CG 3.45Å; L178-R182 PolarHBondContact O-N 3.39Å; L178-R182 VanDerWaalsContact O-N 3.13Å; L178-T199 HydrophobicContact CD1-CG2 3.63Å; L178-E203 HydrophobicContact CD2-CB 4.1Å; L178-L206 HydrophobicContact CD2-CD1 4.36Å
179	K	97.1	Very high	96.3	Very high	137 Å²	137	55.2 Å²	55.2	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-63	-42.6	175.9	-171.3	-179.6	179.8	-177.9	0	111.8	H175 L176 H177 R182 S183	H175-K179 WeakPolarHBondContact O-CB 3.38Å; H175-K179 PolarHBondContact O-N 3.24Å; L176-K179 PolarHBondContact O-N 3.27Å; H177-K179 VanDerWaalsContact C-N 3.33Å; H177-K179 PolarHBondContact O-N 3.14Å; K179-R182 PolarHBondContact O-N 3.28Å; K179-S183 PolarHBondContact O-N 3.49Å; K179-S183 VanDerWaalsContact O-N 3.11Å
180	H	96.7	Very high	96	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.7	-73.3	-168.2	0	0	0	111.9	H114 L176 H177 R182 S183 F184	H114-H180 AromaticContact CE1-ND1 3.75Å; L176-H180 PolarHBondContact O-CD2 3.38Å; L176-H180 PolarHBondContact O-N 3.33Å; H177-H180 PolarHBondContact O-N 3.13Å; H180-R182 PolarHBondContact O-N 2.85Å; H180-S183 PolarHBondContact O-N 2.61Å; H180-S183 PolarHBondContact O-OG 3.41Å; H180-F184 WeakPolarHBondContact O-CD2 3.48Å; H180-F184 WeakPolarHBondContact O-CE2 3.18Å
181	A	96.4	Very high	95.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-35.6	174.8	0	0	0	0	0	112.7	H114 I115 H177 L178 Y241	H114-A181 HydrophobicContact CB-CB 3.83Å; I115-A181 HydrophobicContact CD1-CB 4.17Å; I115-A181 HydrophobicContact CG1-CB 3.55Å; H177-A181 PolarHBondContact O-N 3.4Å; L178-A181 PolarHBondContact O-N 3.14Å; A181-Y241 PolarHBondContact O-OH 2.99Å
182	R	94.4	Very high	95.6	Very high	65 Å²	65	64.3 Å²	64.3	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-77.8	-21.7	179.4	-73.5	176.9	172.3	165.8	3.5	113.9	L178 K179 H180 F184 H185 E203 Y241	L178-R182 WeakPolarHBondContact O-CG 3.45Å; L178-R182 PolarHBondContact O-N 3.39Å; L178-R182 VanDerWaalsContact O-N 3.13Å; K179-R182 PolarHBondContact O-N 3.28Å; H180-R182 PolarHBondContact O-N 2.85Å; R182-F184 PolarHBondContact O-N 2.96Å; R182-H185 WeakPolarHBondContact O-CB 3.42Å; R182-H185 PolarHBondContact O-N 3.4Å; R182-E203 IonicContact CZ-OE2 2.67Å; R182-E203 VanDerWaalsContact NH1-CD 3.33Å; R182-E203 IonicContact NH1-OE1 3.61Å; R182-E203 IonicContact NH1-OE2 2.73Å; R182-E203 PolarHBondContact NH1-OE2 3.49Å; R182-E203 IonicContact NH2-OE2 3.91Å; R182-E203 PolarHBondContact NH2-OE2 3.1Å; R182-Y241 WeakPolarHBondContact CG-O 3.39Å; R182-Y241 PolarHBondContact NE-O 3.22Å; R182-Y241 VanDerWaalsContact NE-O 3.09Å; R182-Y241 PolarHBondContact NE-OXT 3.17Å; R182-Y241 PolarHBondContact NH2-OXT 2.79Å
183	S	95.5	Very high	95.4	Very high	87 Å²	87	63.3 Å²	63.3	61%	0.608	31%	0.309	S	S	*	.	H	α-helix	trans	-64.9	-25.6	174.4	71.1	0	0	0	0	111.9	K179 H180 H185	K179-S183 PolarHBondContact O-N 3.49Å; K179-S183 VanDerWaalsContact O-N 3.11Å; H180-S183 PolarHBondContact O-N 2.61Å; H180-S183 PolarHBondContact O-OG 3.41Å; S183-H185 VanDerWaalsContact C-N 3.27Å; S183-H185 PolarHBondContact O-N 2.96Å
184	F	93.1	Very high	95.1	Very high	49 Å²	49	63.9 Å²	63.9	22%	0.215	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-79.3	0.7	173.3	-56.8	-69.3	0	0	0	114.3	H110 A111 H180 R182 K186 T187 V188	H110-F184 HydrophobicContact CB-CE2 4.07Å; H110-F184 HydrophobicContact CB-CZ 4.07Å; A111-F184 HydrophobicContact CB-CB 4.46Å; A111-F184 HydrophobicContact CB-CD2 4.44Å; H180-F184 WeakPolarHBondContact O-CD2 3.48Å; H180-F184 WeakPolarHBondContact O-CE2 3.18Å; R182-F184 PolarHBondContact O-N 2.96Å; F184-K186 PolarHBondContact O-N 3.42Å; F184-T187 PolarHBondContact O-N 3.42Å; F184-T187 PolarHBondContact O-OG1 3.06Å; F184-V188 HydrophobicContact CB-CG2 3.87Å; F184-V188 WeakPolarHBondContact O-CG2 3.27Å; F184-V188 PolarHBondContact O-N 3.49Å
185	H	91.6	Very high	94.9	Very high	69 Å²	69	64.4 Å²	64.4	32%	0.319	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-52.7	-36.4	-173.1	177	72.2	0	0	0	114.1	R182 S183 F193 Y241	R182-H185 WeakPolarHBondContact O-CB 3.42Å; R182-H185 PolarHBondContact O-N 3.4Å; S183-H185 VanDerWaalsContact C-N 3.27Å; S183-H185 PolarHBondContact O-N 2.96Å; H185-F193 AromaticContact CE1-CE2 3.6Å; H185-F193 AromaticContact CE1-CZ 3.58Å; H185-F193 AromaticContact ND1-CZ 3.66Å; H185-Y241 AromaticContact ND1-CE1 3.95Å
186	K	92.6	Very high	94.8	Very high	202 Å²	202	59.7 Å²	59.7	88%	0.878	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-76.3	-25.1	179.4	-65.9	-175.1	179.4	-178.8	0	113.8	F184	F184-K186 PolarHBondContact O-N 3.42Å
187	T	94.3	Very high	94.5	Very high	67 Å²	67	58 Å²	58	41%	0.411	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-23.5	-176.4	57.3	0	0	0	0	112.5	H107 F184	H107-T187 WeakPolarHBondContact CB-OG1 3.45Å; F184-T187 PolarHBondContact O-N 3.42Å; F184-T187 PolarHBondContact O-OG1 3.06Å
188	V	94.7	Very high	94.1	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.036	30%	0.301	C	S	.	.	S	Bend	trans	-71.3	131.9	176.8	171.5	0	0	0	0	110.7	H107 A108 A111 F184 V190 A192 F193 F196 Y241	H107-V188 HydrophobicContact CB-CG2 4.27Å; A108-V188 HydrophobicContact CB-CG1 4.35Å; A111-V188 HydrophobicContact CB-CG2 3.97Å; F184-V188 HydrophobicContact CB-CG2 3.87Å; F184-V188 WeakPolarHBondContact O-CG2 3.27Å; F184-V188 PolarHBondContact O-N 3.49Å; V188-V190 PolarHBondContact O-N 3.02Å; V188-A192 HydrophobicContact CG1-CB 3.64Å; V188-F193 HydrophobicContact CB-CE1 4.01Å; V188-F193 HydrophobicContact CG1-CD1 3.96Å; V188-F193 HydrophobicContact CG1-CE1 3.6Å; V188-F196 HydrophobicContact CG1-CD2 4.47Å; V188-F196 HydrophobicContact CG1-CE2 3.81Å; V188-Y241 HydrophobicContact CG1-CE1 4.42Å
189	P	94.7	Very high	93.9	Very high	45 Å²	45	59.8 Å²	59.8	29%	0.292	30%	0.301	S	S	.	.			trans	-58.8	134.2	173.6	-23.4	32.9	0	0	0	112	D105 K191 A192	D105-P189 HydrophobicContact CB-CG 4.02Å; P189-K191 PolarHBondContact O-N 3.08Å; P189-A192 VanDerWaalsContact O-CB 3.23Å; P189-A192 WeakPolarHBondContact O-CB 3.38Å; P189-A192 PolarHBondContact O-N 3.19Å
190	V	92.6	Very high	93.7	Very high	74 Å²	74	53.8 Å²	53.8	45%	0.448	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.2	178.5	173.9	0	0	0	0	112.8	V188 A192 F193 K239	V188-V190 PolarHBondContact O-N 3.02Å; V190-A192 PolarHBondContact O-N 3.11Å; V190-F193 HydrophobicContact CB-CE2 4.48Å; V190-F193 HydrophobicContact CG1-CD2 4.38Å; V190-F193 HydrophobicContact CG2-CE2 4.23Å; V190-F193 HydrophobicContact CG2-CZ 4.46Å; V190-F193 WeakPolarHBondContact O-CB 3.34Å; V190-F193 WeakPolarHBondContact O-CG 3.35Å; V190-F193 PolarHBondContact O-N 2.84Å; V190-K239 HydrophobicContact CG1-CB 4.18Å; V190-K239 HydrophobicContact CG1-CD 3.57Å; V190-K239 HydrophobicContact CG1-CG 3.92Å
191	K	93.8	Very high	93.5	Very high	166 Å²	166	50.8 Å²	50.8	72%	0.722	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.8	176.4	-66	-175.8	-179.6	179	0	113.2	I103 P189 P194	I103-K191 HydrophobicContact CD1-CB 3.99Å; I103-K191 WeakPolarHBondContact CD1-O 3.45Å; P189-K191 PolarHBondContact O-N 3.08Å; K191-P194 WeakPolarHBondContact O-CD 3.47Å
192	A	94.6	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-80.3	-22.9	179.2	0	0	0	0	0	113.1	L98 I103 A108 V188 P189 V190 P194 A195 F196	L98-A192 HydrophobicContact CD2-CB 3.79Å; I103-A192 HydrophobicContact CD1-CB 3.58Å; I103-A192 VanDerWaalsContact CD1-N 3.26Å; A108-A192 HydrophobicContact CB-CB 4.4Å; V188-A192 HydrophobicContact CG1-CB 3.64Å; P189-A192 VanDerWaalsContact O-CB 3.23Å; P189-A192 WeakPolarHBondContact O-CB 3.38Å; P189-A192 PolarHBondContact O-N 3.19Å; V190-A192 PolarHBondContact O-N 3.11Å; A192-P194 VanDerWaalsContact C-N 3.32Å; A192-A195 VanDerWaalsContact O-CB 3.27Å; A192-A195 WeakPolarHBondContact O-CB 3.23Å; A192-A195 PolarHBondContact O-N 3.25Å; A192-F196 HydrophobicContact CB-CE2 3.98Å; A192-F196 HydrophobicContact CB-CZ 4.36Å
193	F	92.8	Very high	93.4	Very high	10 Å²	10	50 Å²	50	4%	0.044	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-34.5	-171.5	-63.3	-2	0	0	0	114.3	H185 V188 V190 A195 F196 L197 K239 Y241	H185-F193 AromaticContact CE1-CE2 3.6Å; H185-F193 AromaticContact CE1-CZ 3.58Å; H185-F193 AromaticContact ND1-CZ 3.66Å; V188-F193 HydrophobicContact CB-CE1 4.01Å; V188-F193 HydrophobicContact CG1-CD1 3.96Å; V188-F193 HydrophobicContact CG1-CE1 3.6Å; V190-F193 HydrophobicContact CB-CE2 4.48Å; V190-F193 HydrophobicContact CG1-CD2 4.38Å; V190-F193 HydrophobicContact CG2-CE2 4.23Å; V190-F193 HydrophobicContact CG2-CZ 4.46Å; V190-F193 WeakPolarHBondContact O-CB 3.34Å; V190-F193 WeakPolarHBondContact O-CG 3.35Å; V190-F193 PolarHBondContact O-N 2.84Å; F193-A195 PolarHBondContact O-N 2.6Å; F193-F196 CarbonylContact O-C 3.59Å; F193-F196 WeakPolarHBondContact O-CA 3.38Å; F193-F196 PolarHBondContact O-N 3.31Å; F193-L197 PolarHBondContact O-N 2.97Å; F193-K239 HydrophobicContact CD2-CB 3.81Å; F193-K239 WeakPolarHBondContact CD2-O 3.5Å; F193-K239 HydrophobicContact CE2-CB 4.11Å; F193-K239 WeakPolarHBondContact CE2-O 3.43Å; F193-Y241 HydrophobicContact CB-CD1 4.44Å; F193-Y241 AromaticContact CD1-CD1 3.49Å; F193-Y241 HydrophobicContact CD1-CD1 3.49Å; F193-Y241 VanDerWaalsContact CD1-CD1 3.49Å; F193-Y241 AromaticContact CD1-CE1 3.57Å; F193-Y241 HydrophobicContact CD1-CE1 3.57Å; F193-Y241 AromaticContact CE1-CD1 3.79Å; F193-Y241 HydrophobicContact CE1-CD1 3.79Å; F193-Y241 AromaticContact CE1-CE1 3.46Å; F193-Y241 HydrophobicContact CE1-CE1 3.46Å; F193-Y241 VanDerWaalsContact CE1-CE1 3.46Å; F193-Y241 AromaticContact CG-CD1 3.91Å; F193-Y241 HydrophobicContact CG-CD1 3.91Å; F193-Y241 HydrophobicContact CG-CE1 4.41Å; F193-Y241 HydrophobicContact CZ-CD1 4.41Å; F193-Y241 HydrophobicContact CZ-CE1 4.2Å
194	P	93.1	Very high	93.3	Very high	80 Å²	80	47.6 Å²	47.6	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-54.8	-36	170.8	-27.7	37	0	0	0	114	K191 A192 F196	K191-P194 WeakPolarHBondContact O-CD 3.47Å; A192-P194 VanDerWaalsContact C-N 3.32Å; P194-F196 PolarHBondContact O-N 3.2Å
195	A	93.7	Very high	93.4	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-67.2	-23.9	175.8	0	0	0	0	0	112.4	L94 T97 L98 L101 A192 F193	L94-A195 VanDerWaalsContact CD2-O 3.3Å; L94-A195 WeakPolarHBondContact CD2-O 3.32Å; T97-A195 HydrophobicContact CG2-CB 3.66Å; L98-A195 HydrophobicContact CD2-CB 4.03Å; L101-A195 HydrophobicContact CD1-CB 3.85Å; A192-A195 VanDerWaalsContact O-CB 3.27Å; A192-A195 WeakPolarHBondContact O-CB 3.23Å; A192-A195 PolarHBondContact O-N 3.25Å; F193-A195 PolarHBondContact O-N 2.6Å
196	F	95.3	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-100.4	-1.9	-173.9	-57.6	-24.9	0	0	0	113.8	L94 L98 A108 A111 A112 I115 V188 A192 F193 P194 Q198 T199 Y241	L94-F196 HydrophobicContact CD2-CD1 4.38Å; L98-F196 HydrophobicContact CD1-CE1 4.44Å; L98-F196 HydrophobicContact CD1-CZ 4.21Å; L98-F196 HydrophobicContact CD2-CE1 4.11Å; L98-F196 HydrophobicContact CD2-CZ 3.91Å; L98-F196 HydrophobicContact CG-CE1 4.49Å; A108-F196 WeakPolarHBondContact O-CZ 3.34Å; A111-F196 HydrophobicContact CB-CE2 3.95Å; A111-F196 HydrophobicContact CB-CZ 4.12Å; A112-F196 HydrophobicContact CB-CE1 3.9Å; A112-F196 HydrophobicContact CB-CZ 4.21Å; I115-F196 HydrophobicContact CD1-CB 3.75Å; I115-F196 HydrophobicContact CD1-CD1 3.47Å; I115-F196 VanDerWaalsContact CD1-CD1 3.47Å; I115-F196 HydrophobicContact CD1-CD2 4Å; I115-F196 HydrophobicContact CD1-CE1 4.05Å; I115-F196 HydrophobicContact CD1-CE2 4.48Å; I115-F196 HydrophobicContact CD1-CG 3.46Å; I115-F196 VanDerWaalsContact CD1-CG 3.46Å; V188-F196 HydrophobicContact CG1-CD2 4.47Å; V188-F196 HydrophobicContact CG1-CE2 3.81Å; A192-F196 HydrophobicContact CB-CE2 3.98Å; A192-F196 HydrophobicContact CB-CZ 4.36Å; F193-F196 CarbonylContact O-C 3.59Å; F193-F196 WeakPolarHBondContact O-CA 3.38Å; F193-F196 PolarHBondContact O-N 3.31Å; P194-F196 PolarHBondContact O-N 3.2Å; F196-Q198 PolarHBondContact O-N 3.13Å; F196-T199 VanDerWaalsContact O-CB 3.3Å; F196-T199 WeakPolarHBondContact O-CB 3.35Å; F196-T199 VanDerWaalsContact O-CG2 3.23Å; F196-T199 WeakPolarHBondContact O-CG2 3.37Å; F196-T199 PolarHBondContact O-N 3.24Å; F196-T199 PolarHBondContact O-OG1 3.49Å; F196-Y241 HydrophobicContact CB-CD1 4.14Å; F196-Y241 HydrophobicContact CB-CD2 3.68Å; F196-Y241 HydrophobicContact CB-CE2 4.4Å; F196-Y241 HydrophobicContact CB-CG 3.53Å; F196-Y241 AromaticContact CD2-CD1 3.87Å; F196-Y241 HydrophobicContact CD2-CD1 3.87Å; F196-Y241 AromaticContact CD2-CD2 3.99Å; F196-Y241 HydrophobicContact CD2-CD2 3.99Å; F196-Y241 AromaticContact CD2-CE1 3.77Å; F196-Y241 HydrophobicContact CD2-CE1 3.77Å; F196-Y241 AromaticContact CD2-CE2 3.9Å; F196-Y241 HydrophobicContact CD2-CE2 3.9Å; F196-Y241 AromaticContact CD2-CG 3.98Å; F196-Y241 HydrophobicContact CD2-CG 3.98Å; F196-Y241 AromaticContact CD2-CZ 3.79Å; F196-Y241 HydrophobicContact CE2-CE1 4.43Å; F196-Y241 HydrophobicContact CG-CD2 4.17Å; F196-Y241 HydrophobicContact CG-CE2 4.42Å; F196-Y241 HydrophobicContact CG-CG 4.24Å
197	L	91.9	Very high	93.8	Very high	38 Å²	38	37.6 Å²	37.6	20%	0.199	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.2	179.2	-72.6	174.5	0	0	0	114.1	F193 T199 V200 L232 Q235	F193-L197 PolarHBondContact O-N 2.97Å; L197-T199 PolarHBondContact O-N 3.16Å; L197-T199 VanDerWaalsContact O-N 3.16Å; L197-V200 WeakPolarHBondContact O-CB 3.23Å; L197-V200 VanDerWaalsContact O-CG2 3.3Å; L197-V200 WeakPolarHBondContact O-CG2 3.37Å; L197-V200 PolarHBondContact O-N 3.45Å; L197-L232 HydrophobicContact CB-CD2 4.19Å; L197-L232 WeakPolarHBondContact O-CD2 3.41Å; L197-Q235 HydrophobicContact CD2-CG 4.45Å
198	Q	90.1	Very high	93.8	Very high	57 Å²	57	36.4 Å²	36.4	27%	0.266	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-22.5	174.6	65.4	178.9	4.9	0	0	113.6	I115 F196 V200 S201 L202	I115-Q198 HydrophobicContact CG2-CG 4.24Å; F196-Q198 PolarHBondContact O-N 3.13Å; Q198-V200 PolarHBondContact O-N 2.95Å; Q198-S201 PolarHBondContact O-N 3.08Å; Q198-S201 PolarHBondContact O-OG 3.47Å; Q198-L202 PolarHBondContact O-N 2.89Å
199	T	94.1	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-30.2	173.6	52	0	0	0	0	113.5	I115 L178 F196 L197 S201 L202 E203 Y241	I115-T199 HydrophobicContact CB-CG2 4.36Å; I115-T199 HydrophobicContact CD1-CG2 3.78Å; I115-T199 HydrophobicContact CG1-CG2 3.71Å; I115-T199 HydrophobicContact CG2-CG2 3.7Å; L178-T199 HydrophobicContact CD1-CG2 3.63Å; F196-T199 VanDerWaalsContact O-CB 3.3Å; F196-T199 WeakPolarHBondContact O-CB 3.35Å; F196-T199 VanDerWaalsContact O-CG2 3.23Å; F196-T199 WeakPolarHBondContact O-CG2 3.37Å; F196-T199 PolarHBondContact O-N 3.24Å; F196-T199 PolarHBondContact O-OG1 3.49Å; L197-T199 PolarHBondContact O-N 3.16Å; L197-T199 VanDerWaalsContact O-N 3.16Å; T199-S201 VanDerWaalsContact C-N 3.3Å; T199-S201 PolarHBondContact O-N 3.38Å; T199-L202 WeakPolarHBondContact O-CB 3.06Å; T199-L202 PolarHBondContact O-N 3.33Å; T199-L202 VanDerWaalsContact O-N 3.16Å; T199-E203 PolarHBondContact O-N 2.96Å; T199-Y241 WeakPolarHBondContact CB-OXT 3.49Å; T199-Y241 HydrophobicContact CG2-CD2 4.27Å; T199-Y241 PolarHBondContact OG1-OXT 3.36Å
200	V	92.6	Very high	94	Very high	11 Å²	11	40 Å²	40	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-42.5	175.6	-174.9	0	0	0	0	111	L197 Q198 L202 D204 L228 L232 Q235	L197-V200 WeakPolarHBondContact O-CB 3.23Å; L197-V200 VanDerWaalsContact O-CG2 3.3Å; L197-V200 WeakPolarHBondContact O-CG2 3.37Å; L197-V200 PolarHBondContact O-N 3.45Å; Q198-V200 PolarHBondContact O-N 2.95Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-D204 WeakPolarHBondContact O-CB 3.44Å; V200-D204 PolarHBondContact O-N 2.7Å; V200-L228 HydrophobicContact CG1-CD1 4.1Å; V200-L232 HydrophobicContact CB-CD2 3.69Å; V200-L232 HydrophobicContact CB-CG 4.4Å; V200-L232 HydrophobicContact CG1-CD2 4.21Å; V200-L232 HydrophobicContact CG1-CG 4.41Å; V200-L232 HydrophobicContact CG2-CD2 3.85Å; V200-Q235 HydrophobicContact CG2-CB 4.09Å; V200-Q235 HydrophobicContact CG2-CG 3.82Å
201	S	92	Very high	94.3	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	22%	0.218	C	C	.	.	H	α-helix	trans	-72.4	-29.1	178.4	74.9	0	0	0	0	112.8	Q198 T199 F205	Q198-S201 PolarHBondContact O-N 3.08Å; Q198-S201 PolarHBondContact O-OG 3.47Å; T199-S201 VanDerWaalsContact C-N 3.3Å; T199-S201 PolarHBondContact O-N 3.38Å; S201-F205 PolarHBondContact O-N 3.02Å
202	L	94.1	Very high	94.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-47.9	173.8	-64.6	-179.2	0	0	0	111	I115 A118 Q119 V122 Q198 T199 V200 F205 L206	I115-L202 HydrophobicContact CG2-CD1 4.46Å; A118-L202 HydrophobicContact CB-CD1 4.26Å; Q119-L202 HydrophobicContact CB-CD1 4.05Å; Q119-L202 HydrophobicContact CB-CD2 4.36Å; V122-L202 HydrophobicContact CB-CD2 3.76Å; V122-L202 HydrophobicContact CG1-CD2 3.7Å; V122-L202 HydrophobicContact CG2-CD2 4.04Å; Q198-L202 PolarHBondContact O-N 2.89Å; T199-L202 WeakPolarHBondContact O-CB 3.06Å; T199-L202 PolarHBondContact O-N 3.33Å; T199-L202 VanDerWaalsContact O-N 3.16Å; V200-L202 VanDerWaalsContact C-N 3.34Å; L202-F205 PolarHBondContact O-N 2.72Å; L202-L206 WeakPolarHBondContact O-CG 3Å; L202-L206 PolarHBondContact O-N 3.06Å
203	E	94	Very high	94.5	Very high	47 Å²	47	44 Å²	44	22%	0.22	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-40	178.1	-172.3	174.1	-179.3	0	0	112	L178 R182 T199 F205 L206 K207	L178-E203 HydrophobicContact CD2-CB 4.1Å; R182-E203 IonicContact CZ-OE2 2.67Å; R182-E203 VanDerWaalsContact NH1-CD 3.33Å; R182-E203 IonicContact NH1-OE1 3.61Å; R182-E203 IonicContact NH1-OE2 2.73Å; R182-E203 PolarHBondContact NH1-OE2 3.49Å; R182-E203 IonicContact NH2-OE2 3.91Å; R182-E203 PolarHBondContact NH2-OE2 3.1Å; T199-E203 PolarHBondContact O-N 2.96Å; E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.09Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-K207 HydrophobicContact CG-CD 4.1Å; E203-K207 HydrophobicContact CG-CG 4.42Å; E203-K207 WeakPolarHBondContact O-CB 3.33Å; E203-K207 WeakPolarHBondContact O-CG 3.19Å; E203-K207 PolarHBondContact O-N 2.83Å; E203-K207 WeakPolarHBondContact OE1-CE 3.39Å; E203-K207 IonicContact OE1-NZ 3.87Å; E203-K207 PolarHBondContact OE1-NZ 2.98Å
204	D	93.9	Very high	94.7	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-56.3	-47.5	173.5	179.1	71.8	0	0	0	111.3	V200 K207 K208 N225 L228	V200-D204 WeakPolarHBondContact O-CB 3.44Å; V200-D204 PolarHBondContact O-N 2.7Å; D204-K207 PolarHBondContact O-N 2.62Å; D204-K208 WeakPolarHBondContact O-CB 3.5Å; D204-K208 VanDerWaalsContact O-CG 3.28Å; D204-K208 WeakPolarHBondContact O-CG 3.44Å; D204-K208 PolarHBondContact O-N 2.91Å; D204-K208 IonicContact OD1-NZ 2.72Å; D204-K208 WeakPolarHBondContact OD2-CE 3.43Å; D204-K208 IonicContact OD2-NZ 3.71Å; D204-K208 PolarHBondContact OD2-NZ 2.99Å; D204-N225 PolarHBondContact OD1-ND2 3.13Å; D204-L228 HydrophobicContact CB-CD1 4.48Å
205	F	95.3	Very high	94.9	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-46.5	178.5	180	-98	0	0	0	112.3	V122 L125 R126 S201 L202 E203 K207 K208 I209 I216 L221	V122-F205 HydrophobicContact CB-CD1 4.39Å; V122-F205 HydrophobicContact CG1-CB 4.24Å; V122-F205 HydrophobicContact CG1-CD1 3.48Å; V122-F205 VanDerWaalsContact CG1-CD1 3.48Å; V122-F205 HydrophobicContact CG1-CE1 4.1Å; V122-F205 HydrophobicContact CG1-CG 3.99Å; V122-F205 HydrophobicContact CG2-CD1 4.25Å; L125-F205 HydrophobicContact CB-CE1 4.19Å; L125-F205 HydrophobicContact CB-CZ 4.44Å; R126-F205 HydrophobicContact CB-CE2 4.49Å; R126-F205 HydrophobicContact CB-CZ 4.44Å; R126-F205 HydrophobicContact CG-CD1 4.08Å; R126-F205 HydrophobicContact CG-CD2 3.6Å; R126-F205 HydrophobicContact CG-CE1 3.77Å; R126-F205 HydrophobicContact CG-CE2 3.28Å; R126-F205 HydrophobicContact CG-CG 3.99Å; R126-F205 HydrophobicContact CG-CZ 3.35Å; S201-F205 PolarHBondContact O-N 3.02Å; L202-F205 PolarHBondContact O-N 2.72Å; E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.09Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.49Å; F205-K208 PolarHBondContact O-N 3.48Å; F205-K208 VanDerWaalsContact O-N 3.12Å; F205-I209 HydrophobicContact CE1-CB 4.5Å; F205-I209 HydrophobicContact CE1-CD1 4.15Å; F205-I209 HydrophobicContact CE1-CG2 4.47Å; F205-I209 HydrophobicContact CZ-CB 4.49Å; F205-I209 HydrophobicContact CZ-CD1 3.98Å; F205-I209 PolarHBondContact O-N 3.29Å; F205-I216 HydrophobicContact CZ-CD1 4.28Å; F205-L221 HydrophobicContact CE2-CD2 4.35Å
206	L	96.4	Very high	95	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-38.2	179.2	-71.6	173.1	0	0	0	112.2	V122 A171 A174 H175 L178 L202 E203 I209 Q210	V122-L206 HydrophobicContact CG2-CD2 4Å; V122-L206 HydrophobicContact CG2-CG 4.13Å; A171-L206 HydrophobicContact CB-CD2 4.14Å; A174-L206 HydrophobicContact CB-CD1 4.46Å; A174-L206 HydrophobicContact CB-CD2 4.16Å; H175-L206 HydrophobicContact CB-CD1 4.23Å; L178-L206 HydrophobicContact CD2-CD1 4.36Å; L202-L206 WeakPolarHBondContact O-CG 3Å; L202-L206 PolarHBondContact O-N 3.06Å; E203-L206 PolarHBondContact O-N 2.94Å; L206-I209 VanDerWaalsContact O-CG2 3.28Å; L206-I209 WeakPolarHBondContact O-CG2 3.46Å; L206-Q210 WeakPolarHBondContact O-CB 2.88Å; L206-Q210 PolarHBondContact O-N 3.37Å; L206-Q210 VanDerWaalsContact O-N 3.15Å
207	K	95.6	Very high	94.9	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	20%	0.199	S	C	.	.	H	α-helix	trans	-68.1	-38.5	173.6	-74.3	177	-179.6	168.9	0	112.3	E203 D204 F205 R211	E203-K207 HydrophobicContact CG-CD 4.1Å; E203-K207 HydrophobicContact CG-CG 4.42Å; E203-K207 WeakPolarHBondContact O-CB 3.33Å; E203-K207 WeakPolarHBondContact O-CG 3.19Å; E203-K207 PolarHBondContact O-N 2.83Å; E203-K207 WeakPolarHBondContact OE1-CE 3.39Å; E203-K207 IonicContact OE1-NZ 3.87Å; E203-K207 PolarHBondContact OE1-NZ 2.98Å; D204-K207 PolarHBondContact O-N 2.62Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.49Å; K207-R211 VanDerWaalsContact O-CG 3.3Å; K207-R211 WeakPolarHBondContact O-CG 3.41Å; K207-R211 PolarHBondContact O-N 3.2Å; K207-R211 VanDerWaalsContact O-N 3.08Å
208	K	95.4	Very high	95.1	Very high	41 Å²	41	44.2 Å²	44.2	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-46.2	178.1	-78.4	171.3	172.6	173.5	0	112.1	D204 F205 Q210 R211 V212 L221	D204-K208 WeakPolarHBondContact O-CB 3.5Å; D204-K208 VanDerWaalsContact O-CG 3.28Å; D204-K208 WeakPolarHBondContact O-CG 3.44Å; D204-K208 PolarHBondContact O-N 2.91Å; D204-K208 IonicContact OD1-NZ 2.72Å; D204-K208 WeakPolarHBondContact OD2-CE 3.43Å; D204-K208 IonicContact OD2-NZ 3.71Å; D204-K208 PolarHBondContact OD2-NZ 2.99Å; F205-K208 PolarHBondContact O-N 3.48Å; F205-K208 VanDerWaalsContact O-N 3.12Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.38Å; K208-R211 PolarHBondContact O-N 2.87Å; K208-V212 PolarHBondContact O-N 2.97Å; K208-L221 HydrophobicContact CB-CD2 3.84Å
209	I	96.4	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-36.4	179.2	-162.7	164.3	0	0	0	111.3	I167 F205 L206 R211 V212 F214 I216 L221	I167-I209 HydrophobicContact CG2-CD1 3.45Å; I167-I209 VanDerWaalsContact CG2-CD1 3.45Å; I167-I209 HydrophobicContact CG2-CG1 4.21Å; F205-I209 HydrophobicContact CE1-CB 4.5Å; F205-I209 HydrophobicContact CE1-CD1 4.15Å; F205-I209 HydrophobicContact CE1-CG2 4.47Å; F205-I209 HydrophobicContact CZ-CB 4.49Å; F205-I209 HydrophobicContact CZ-CD1 3.98Å; F205-I209 PolarHBondContact O-N 3.29Å; L206-I209 VanDerWaalsContact O-CG2 3.28Å; L206-I209 WeakPolarHBondContact O-CG2 3.46Å; I209-R211 PolarHBondContact O-N 3.39Å; I209-V212 WeakPolarHBondContact O-CG2 3.23Å; I209-V212 PolarHBondContact O-N 2.95Å; I209-F214 HydrophobicContact CG1-CD1 4.24Å; I209-F214 HydrophobicContact CG2-CD1 4.29Å; I209-F214 HydrophobicContact CG2-CE1 4.28Å; I209-F214 WeakPolarHBondContact O-CA 2.88Å; I209-F214 PolarHBondContact O-N 2.93Å; I209-I216 HydrophobicContact CD1-CD1 3.48Å; I209-I216 VanDerWaalsContact CD1-CD1 3.48Å; I209-L221 HydrophobicContact CB-CD2 4.26Å; I209-L221 HydrophobicContact CD1-CD1 4.48Å; I209-L221 HydrophobicContact CG1-CD1 4.25Å
210	Q	97.1	Very high	95	Very high	127 Å²	127	47.6 Å²	47.6	59%	0.593	23%	0.233	S	C	*	.	H	α-helix	trans	-62.2	-41	172.3	-175	-178	27.9	0	0	112.6	L206 K208 V212 D213 F214	L206-Q210 WeakPolarHBondContact O-CB 2.88Å; L206-Q210 PolarHBondContact O-N 3.37Å; L206-Q210 VanDerWaalsContact O-N 3.15Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.38Å; Q210-V212 VanDerWaalsContact C-N 3.26Å; Q210-V212 PolarHBondContact O-N 2.89Å; Q210-D213 PolarHBondContact O-N 2.96Å; Q210-F214 HydrophobicContact CB-CE2 4.42Å; Q210-F214 HydrophobicContact CB-CZ 3.97Å; Q210-F214 HydrophobicContact CG-CE2 4.23Å; Q210-F214 HydrophobicContact CG-CZ 4.01Å
211	R	97	Very high	94.9	Very high	206 Å²	206	48 Å²	48	78%	0.777	24%	0.235	S	C	*	.	H	α-helix	trans	-66.3	-25.3	179.9	-76.3	173.6	-174.9	175.1	1.2	114.1	K207 K208 I209 D213	K207-R211 VanDerWaalsContact O-CG 3.3Å; K207-R211 WeakPolarHBondContact O-CG 3.41Å; K207-R211 PolarHBondContact O-N 3.2Å; K207-R211 VanDerWaalsContact O-N 3.08Å; K208-R211 PolarHBondContact O-N 2.87Å; I209-R211 PolarHBondContact O-N 3.39Å; R211-D213 VanDerWaalsContact C-N 3.31Å
212	V	96.6	Very high	94.5	Very high	25 Å²	25	53.9 Å²	53.9	15%	0.152	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	22.9	177.3	-58.5	0	0	0	0	111.5	K208 I209 Q210 F214 D215 H218 L221	K208-V212 PolarHBondContact O-N 2.97Å; I209-V212 WeakPolarHBondContact O-CG2 3.23Å; I209-V212 PolarHBondContact O-N 2.95Å; Q210-V212 VanDerWaalsContact C-N 3.26Å; Q210-V212 PolarHBondContact O-N 2.89Å; V212-F214 PolarHBondContact O-N 3.28Å; V212-D215 WeakPolarHBondContact O-CB 3.28Å; V212-D215 PolarHBondContact O-N 3.23Å; V212-D215 VanDerWaalsContact O-N 3.09Å; V212-H218 HydrophobicContact CB-CB 4.07Å; V212-H218 HydrophobicContact CG1-CB 4.23Å; V212-H218 HydrophobicContact CG2-CB 4.07Å; V212-L221 HydrophobicContact CG2-CD1 4.19Å; V212-L221 HydrophobicContact CG2-CD2 4.14Å; V212-L221 HydrophobicContact CG2-CG 4.25Å
213	D	96.8	Very high	94.1	Very high	93 Å²	93	60.1 Å²	60.1	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.2	178.2	-171.4	46.6	0	0	0	112.6	R164 Q210 R211 D215	R164-D213 WeakPolarHBondContact CD-O 3.34Å; R164-D213 IonicContact CZ-OD2 2.77Å; R164-D213 IonicContact NH1-OD2 3.27Å; R164-D213 PolarHBondContact NH1-OD2 3.49Å; Q210-D213 PolarHBondContact O-N 2.96Å; R211-D213 VanDerWaalsContact C-N 3.31Å; D213-D215 PolarHBondContact O-N 3.35Å
214	F	97.5	Very high	93.5	Very high	26 Å²	26	67.3 Å²	67.3	11%	0.114	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	19.1	178.3	-55.3	-90	0	0	0	115.2	R164 I167 Y168 A171 I209 Q210 V212 I216	R164-F214 HydrophobicContact CB-CB 4.36Å; I167-F214 HydrophobicContact CB-CB 4.25Å; I167-F214 HydrophobicContact CG2-CB 4.02Å; I167-F214 HydrophobicContact CG2-CD1 4.4Å; I167-F214 WeakPolarHBondContact CG2-O 3.2Å; Y168-F214 HydrophobicContact CD2-CD1 4.32Å; Y168-F214 AromaticContact CD2-CD2 3.87Å; Y168-F214 HydrophobicContact CD2-CD2 3.87Å; Y168-F214 AromaticContact CD2-CE1 3.9Å; Y168-F214 HydrophobicContact CD2-CE1 3.9Å; Y168-F214 AromaticContact CD2-CE2 3.45Å; Y168-F214 HydrophobicContact CD2-CE2 3.45Å; Y168-F214 VanDerWaalsContact CD2-CE2 3.45Å; Y168-F214 HydrophobicContact CD2-CG 4.31Å; Y168-F214 AromaticContact CD2-CZ 3.45Å; Y168-F214 HydrophobicContact CD2-CZ 3.45Å; Y168-F214 VanDerWaalsContact CD2-CZ 3.45Å; Y168-F214 HydrophobicContact CE2-CE2 4.14Å; Y168-F214 HydrophobicContact CE2-CZ 4.03Å; Y168-F214 HydrophobicContact CG-CE2 4.47Å; A171-F214 HydrophobicContact CB-CD1 4.14Å; A171-F214 HydrophobicContact CB-CE1 3.94Å; I209-F214 HydrophobicContact CG1-CD1 4.24Å; I209-F214 HydrophobicContact CG2-CD1 4.29Å; I209-F214 HydrophobicContact CG2-CE1 4.28Å; I209-F214 WeakPolarHBondContact O-CA 2.88Å; I209-F214 PolarHBondContact O-N 2.93Å; Q210-F214 HydrophobicContact CB-CE2 4.42Å; Q210-F214 HydrophobicContact CB-CZ 3.97Å; Q210-F214 HydrophobicContact CG-CE2 4.23Å; Q210-F214 HydrophobicContact CG-CZ 4.01Å; V212-F214 PolarHBondContact O-N 3.28Å; F214-I216 PolarHBondContact O-N 3.45Å
215	D	96.4	Very high	93	Very high	12 Å²	12	67.4 Å²	67.4	6%	0.064	32%	0.319	C	S	.	.			trans	-69.3	96.5	166.8	177.4	11.6	0	0	0	110.6	Q159 V212 D213 F217 H218 L221	Q159-D215 VanDerWaalsContact NE2-CG 3.33Å; Q159-D215 PolarHBondContact NE2-OD1 3.41Å; Q159-D215 VanDerWaalsContact NE2-OD1 3.12Å; Q159-D215 PolarHBondContact NE2-OD2 3.12Å; V212-D215 WeakPolarHBondContact O-CB 3.28Å; V212-D215 PolarHBondContact O-N 3.23Å; V212-D215 VanDerWaalsContact O-N 3.09Å; D213-D215 PolarHBondContact O-N 3.35Å; D215-F217 PolarHBondContact O-N 2.84Å; D215-F217 PolarHBondContact OD1-N 3.11Å; D215-H218 HydrophobicContact CB-CB 4.2Å; D215-H218 WeakPolarHBondContact O-CB 3.32Å; D215-H218 PolarHBondContact O-N 3.32Å; D215-H218 PolarHBondContact OD1-N 3.29Å; D215-H218 IonicContact OD2-CD2 2.8Å; D215-L221 VanDerWaalsContact O-CD1 3.28Å; D215-L221 WeakPolarHBondContact O-CD1 3.44Å
216	I	95.6	Very high	92.6	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.9	-178.5	-164.4	63.8	0	0	0	113.3	L125 T128 P129 I167 F205 I209 F214 L221	L125-I216 HydrophobicContact CB-CD1 4.23Å; L125-I216 WeakPolarHBondContact O-CD1 3.5Å; T128-I216 HydrophobicContact CG2-CG2 4.45Å; P129-I216 HydrophobicContact CG-CG1 4.46Å; P129-I216 WeakPolarHBondContact CG-O 3.42Å; I167-I216 HydrophobicContact CD1-CB 3.99Å; I167-I216 HydrophobicContact CD1-CG1 4.2Å; I167-I216 HydrophobicContact CD1-CG2 4.05Å; I167-I216 HydrophobicContact CG1-CB 4.04Å; I167-I216 HydrophobicContact CG1-CG2 4.12Å; I167-I216 HydrophobicContact CG2-CB 4.32Å; I167-I216 HydrophobicContact CG2-CD1 4.47Å; F205-I216 HydrophobicContact CZ-CD1 4.28Å; I209-I216 HydrophobicContact CD1-CD1 3.48Å; I209-I216 VanDerWaalsContact CD1-CD1 3.48Å; F214-I216 PolarHBondContact O-N 3.45Å; I216-L221 HydrophobicContact CD1-CD1 4.4Å
217	F	94.8	Very high	92.3	Very high	28 Å²	28	76.4 Å²	76.4	12%	0.123	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-2.4	-179.9	-57.4	-67.8	0	0	0	112.8	P129 F154 R157 Q159 D215	P129-F217 HydrophobicContact CB-CD1 4.24Å; P129-F217 HydrophobicContact CB-CE1 4.5Å; P129-F217 HydrophobicContact CG-CD1 4.18Å; P129-F217 HydrophobicContact CG-CE1 4.47Å; F154-F217 HydrophobicContact CD1-CZ 4.28Å; F154-F217 WeakPolarHBondContact O-CZ 3.4Å; R157-F217 HydrophobicContact CB-CD1 4.06Å; R157-F217 HydrophobicContact CB-CD2 4.06Å; R157-F217 HydrophobicContact CB-CE1 4.18Å; R157-F217 HydrophobicContact CB-CE2 4.18Å; R157-F217 HydrophobicContact CB-CG 4Å; R157-F217 HydrophobicContact CB-CZ 4.24Å; R157-F217 HydrophobicContact CG-CD1 3.88Å; R157-F217 HydrophobicContact CG-CE1 3.85Å; R157-F217 HydrophobicContact CG-CG 4.33Å; R157-F217 HydrophobicContact CG-CZ 4.28Å; Q159-F217 HydrophobicContact CG-CD2 4.48Å; D215-F217 PolarHBondContact O-N 2.84Å; D215-F217 PolarHBondContact OD1-N 3.11Å
218	H	94.9	Very high	91.9	Very high	72 Å²	72	74 Å²	74	33%	0.333	36%	0.363	S	S	.	.			trans	-60.5	127.5	-178.4	-166.3	-83.3	0	0	0	111.8	V212 D215 S220 L221	V212-H218 HydrophobicContact CB-CB 4.07Å; V212-H218 HydrophobicContact CG1-CB 4.23Å; V212-H218 HydrophobicContact CG2-CB 4.07Å; D215-H218 HydrophobicContact CB-CB 4.2Å; D215-H218 WeakPolarHBondContact O-CB 3.32Å; D215-H218 PolarHBondContact O-N 3.32Å; D215-H218 PolarHBondContact OD1-N 3.29Å; D215-H218 IonicContact OD2-CD2 2.8Å; H218-S220 PolarHBondContact CE1-OG 3.43Å; H218-S220 WeakPolarHBondContact ND1-CB 3.29Å; H218-S220 PolarHBondContact ND1-N 2.94Å; H218-S220 PolarHBondContact ND1-OG 3.44Å; H218-S220 PolarHBondContact O-N 3.04Å; H218-S220 VanDerWaalsContact O-N 3.09Å; H218-L221 HydrophobicContact CB-CG 4.48Å; H218-L221 WeakPolarHBondContact O-CB 3.25Å; H218-L221 PolarHBondContact O-N 3.4Å
219	P	91.1	Very high	91.6	Very high	92 Å²	92	76.2 Å²	76.2	60%	0.597	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.7	-174.3	-27.6	34.6	0	0	0	114.9	L221 Q222	P219-L221 PolarHBondContact O-N 2.61Å; P219-Q222 PolarHBondContact O-N 3.08Å; P219-Q222 VanDerWaalsContact O-N 3.11Å
220	S	91.9	Very high	91.2	Very high	35 Å²	35	80.7 Å²	80.7	25%	0.245	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.3	178.5	72.3	0	0	0	0	113.3	H218 Q222 Q223	H218-S220 PolarHBondContact CE1-OG 3.43Å; H218-S220 WeakPolarHBondContact ND1-CB 3.29Å; H218-S220 PolarHBondContact ND1-N 2.94Å; H218-S220 PolarHBondContact ND1-OG 3.44Å; H218-S220 PolarHBondContact O-N 3.04Å; H218-S220 VanDerWaalsContact O-N 3.09Å; S220-Q222 PolarHBondContact O-N 3.43Å; S220-Q223 WeakPolarHBondContact O-CB 3.38Å; S220-Q223 PolarHBondContact O-N 3.34Å
221	L	90.3	Very high	90.7	Very high	21 Å²	21	80.1 Å²	80.1	11%	0.11	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-70.1	-22.7	177.7	-63.3	-178.9	0	0	0	112.6	F205 K208 I209 V212 D215 I216 H218 P219	F205-L221 HydrophobicContact CE2-CD2 4.35Å; K208-L221 HydrophobicContact CB-CD2 3.84Å; I209-L221 HydrophobicContact CB-CD2 4.26Å; I209-L221 HydrophobicContact CD1-CD1 4.48Å; I209-L221 HydrophobicContact CG1-CD1 4.25Å; V212-L221 HydrophobicContact CG2-CD1 4.19Å; V212-L221 HydrophobicContact CG2-CD2 4.14Å; V212-L221 HydrophobicContact CG2-CG 4.25Å; D215-L221 VanDerWaalsContact O-CD1 3.28Å; D215-L221 WeakPolarHBondContact O-CD1 3.44Å; I216-L221 HydrophobicContact CD1-CD1 4.4Å; H218-L221 HydrophobicContact CB-CG 4.48Å; H218-L221 WeakPolarHBondContact O-CB 3.25Å; H218-L221 PolarHBondContact O-N 3.4Å; P219-L221 PolarHBondContact O-N 2.61Å
222	Q	83.4	Confident	90.3	Very high	154 Å²	154	72.8 Å²	72.8	72%	0.72	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-84.9	-13.5	175.8	-59.6	-163.8	-4.7	0	0	112.8	P219 S220	P219-Q222 PolarHBondContact O-N 3.08Å; P219-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 PolarHBondContact O-N 3.43Å
223	Q	85	Confident	89.8	Confident	132 Å²	132	79.1 Å²	79.1	62%	0.617	40%	0.396	S	S	*	.	S	Bend	trans	-75.4	132.8	179.8	-62.6	-178.9	-1.2	0	0	111.1	S220	S220-Q223 WeakPolarHBondContact O-CB 3.38Å; S220-Q223 PolarHBondContact O-N 3.34Å
224	K	81.3	Confident	89.4	Confident	198 Å²	198	77.6 Å²	77.6	86%	0.861	39%	0.388	S	S	*	.			trans	-71.3	134.9	175.6	-64.4	-179.5	-177.2	175.2	0	109.3	T226	K224-T226 PolarHBondContact O-N 3.39Å
225	N	83.8	Confident	88.8	Confident	38 Å²	38	78 Å²	78	20%	0.203	39%	0.39	C	S	.	.			trans	-76.3	109.5	168.9	-175.3	-13.1	0	0	0	108.7	D204 L227 L228	D204-N225 PolarHBondContact OD1-ND2 3.13Å; N225-L227 PolarHBondContact O-N 2.99Å; N225-L227 WeakPolarHBondContact OD1-CB 3.32Å; N225-L227 PolarHBondContact OD1-N 3.3Å; N225-L228 HydrophobicContact CB-CB 4.09Å; N225-L228 WeakPolarHBondContact O-CB 3.45Å; N225-L228 PolarHBondContact O-N 2.98Å; N225-L228 PolarHBondContact OD1-N 2.95Å
226	T	86.7	Confident	88.3	Confident	124 Å²	124	80.1 Å²	80.1	76%	0.761	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.5	179.4	50.4	0	0	0	0	112.9	K224 P229	K224-T226 PolarHBondContact O-N 3.39Å; T226-P229 WeakPolarHBondContact O-CD 3.46Å
227	L	90	Very high	87.7	Confident	84 Å²	84	89.1 Å²	89.1	44%	0.44	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.5	178.6	-59.4	178.3	0	0	0	113.1	N225 P229 L230 Y231	N225-L227 PolarHBondContact O-N 2.99Å; N225-L227 WeakPolarHBondContact OD1-CB 3.32Å; N225-L227 PolarHBondContact OD1-N 3.3Å; L227-P229 VanDerWaalsContact C-CD 3.47Å; L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 2.87Å; L227-Y231 HydrophobicContact CB-CD2 3.99Å; L227-Y231 HydrophobicContact CB-CE2 3.52Å; L227-Y231 HydrophobicContact CD1-CE2 4.39Å; L227-Y231 WeakPolarHBondContact O-CD2 3.43Å; L227-Y231 PolarHBondContact O-N 3.38Å
228	L	87.9	Confident	87.3	Confident	41 Å²	41	95.7 Å²	95.7	22%	0.215	46%	0.464	C	S	.	.	H	α-helix	trans	-55.3	-41.9	-179.7	-172.6	65.5	0	0	0	113.6	V200 D204 N225 L230 Y231 L232	V200-L228 HydrophobicContact CG1-CD1 4.1Å; D204-L228 HydrophobicContact CB-CD1 4.48Å; N225-L228 HydrophobicContact CB-CB 4.09Å; N225-L228 WeakPolarHBondContact O-CB 3.45Å; N225-L228 PolarHBondContact O-N 2.98Å; N225-L228 PolarHBondContact OD1-N 2.95Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 PolarHBondContact O-N 3.11Å; L228-Y231 PolarHBondContact O-N 2.75Å; L228-L232 HydrophobicContact CG-CD1 4.15Å; L228-L232 HydrophobicContact CG-CG 4.48Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.28Å
229	P	88.3	Confident	86.7	Confident	87 Å²	87	98.2 Å²	98.2	57%	0.565	47%	0.473	S	S	*	.	H	α-helix	trans	-61	-37.7	175.2	-23.4	35.5	0	0	0	113	T226 L227 L232 Y233	T226-P229 WeakPolarHBondContact O-CD 3.46Å; L227-P229 VanDerWaalsContact C-CD 3.47Å; P229-L232 PolarHBondContact O-N 3.47Å; P229-Y233 WeakPolarHBondContact O-CB 3.12Å; P229-Y233 PolarHBondContact O-N 2.86Å
230	L	88.4	Confident	86.2	Confident	94 Å²	94	96 Å²	96	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-44.1	176.9	-179.7	65	0	0	0	110.9	L227 L228 L232 Y233 I234	L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 2.87Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 PolarHBondContact O-N 3.11Å; L230-L232 PolarHBondContact O-N 2.95Å; L230-Y233 PolarHBondContact O-N 2.98Å; L230-I234 HydrophobicContact CD1-CD1 4.18Å; L230-I234 HydrophobicContact CD1-CG1 4.42Å; L230-I234 HydrophobicContact CG-CD1 3.92Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.34Å; L230-I234 PolarHBondContact O-N 2.74Å
231	Y	87.2	Confident	85.7	Confident	115 Å²	115	94.7 Å²	94.7	45%	0.451	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-43.5	175.8	-68.5	-56.2	0	0	0	111.9	L227 L228 Y233 I234 Q235	L227-Y231 HydrophobicContact CB-CD2 3.99Å; L227-Y231 HydrophobicContact CB-CE2 3.52Å; L227-Y231 HydrophobicContact CD1-CE2 4.39Å; L227-Y231 WeakPolarHBondContact O-CD2 3.43Å; L227-Y231 PolarHBondContact O-N 3.38Å; L228-Y231 PolarHBondContact O-N 2.75Å; Y231-Y233 VanDerWaalsContact C-N 3.31Å; Y231-Y233 PolarHBondContact O-N 2.96Å; Y231-I234 PolarHBondContact O-N 3.45Å; Y231-Q235 VanDerWaalsContact O-CB 3.23Å; Y231-Q235 WeakPolarHBondContact O-CB 3.4Å; Y231-Q235 PolarHBondContact O-N 2.92Å
232	L	87.9	Confident	85.4	Confident	53 Å²	53	98.4 Å²	98.4	28%	0.277	47%	0.465	S	S	.	.	H	α-helix	trans	-59.1	-42.7	174.4	-75.6	167.9	0	0	0	111.8	L197 V200 L228 P229 L230 Q235 S236	L197-L232 HydrophobicContact CB-CD2 4.19Å; L197-L232 WeakPolarHBondContact O-CD2 3.41Å; V200-L232 HydrophobicContact CB-CD2 3.69Å; V200-L232 HydrophobicContact CB-CG 4.4Å; V200-L232 HydrophobicContact CG1-CD2 4.21Å; V200-L232 HydrophobicContact CG1-CG 4.41Å; V200-L232 HydrophobicContact CG2-CD2 3.85Å; L228-L232 HydrophobicContact CG-CD1 4.15Å; L228-L232 HydrophobicContact CG-CG 4.48Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.28Å; P229-L232 PolarHBondContact O-N 3.47Å; L230-L232 PolarHBondContact O-N 2.95Å; L232-Q235 PolarHBondContact O-N 3.26Å; L232-S236 WeakPolarHBondContact O-CB 2.88Å; L232-S236 PolarHBondContact O-N 3.48Å
233	Y	87.1	Confident	85.5	Confident	157 Å²	157	95.4 Å²	95.4	62%	0.616	45%	0.452	S	S	*	.	H	α-helix	trans	-65.1	-46.4	177.3	179	-100.5	0	0	0	112.4	P229 L230 Y231 Q235 S236 W237	P229-Y233 WeakPolarHBondContact O-CB 3.12Å; P229-Y233 PolarHBondContact O-N 2.86Å; L230-Y233 PolarHBondContact O-N 2.98Å; Y231-Y233 VanDerWaalsContact C-N 3.31Å; Y231-Y233 PolarHBondContact O-N 2.96Å; Y233-Q235 VanDerWaalsContact C-N 3.29Å; Y233-Q235 PolarHBondContact O-N 3.14Å; Y233-S236 PolarHBondContact O-N 2.77Å; Y233-S236 PolarHBondContact O-OG 3.38Å; Y233-W237 PolarHBondContact O-N 3.46Å
234	I	88.3	Confident	85.6	Confident	62 Å²	62	93.4 Å²	93.4	32%	0.318	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-42.5	177	-68.9	166.7	0	0	0	110.4	L230 Y231 W237 R238	L230-I234 HydrophobicContact CD1-CD1 4.18Å; L230-I234 HydrophobicContact CD1-CG1 4.42Å; L230-I234 HydrophobicContact CG-CD1 3.92Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.34Å; L230-I234 PolarHBondContact O-N 2.74Å; Y231-I234 PolarHBondContact O-N 3.45Å; I234-W237 PolarHBondContact O-N 3.07Å; I234-R238 HydrophobicContact CG2-CG 4.43Å; I234-R238 WeakPolarHBondContact O-CB 3.39Å; I234-R238 VanDerWaalsContact O-CG 3.3Å; I234-R238 WeakPolarHBondContact O-CG 3.35Å; I234-R238 PolarHBondContact O-N 3.32Å
235	Q	85.6	Confident	85.8	Confident	35 Å²	35	87.2 Å²	87.2	16%	0.164	42%	0.418	C	S	.	.	H	α-helix	trans	-71.8	-36.1	-177.7	-170.4	138.6	11.9	0	0	112.4	L197 V200 Y231 L232 Y233 W237 R238 K239 T240 Y241	L197-Q235 HydrophobicContact CD2-CG 4.45Å; V200-Q235 HydrophobicContact CG2-CB 4.09Å; V200-Q235 HydrophobicContact CG2-CG 3.82Å; Y231-Q235 VanDerWaalsContact O-CB 3.23Å; Y231-Q235 WeakPolarHBondContact O-CB 3.4Å; Y231-Q235 PolarHBondContact O-N 2.92Å; L232-Q235 PolarHBondContact O-N 3.26Å; Y233-Q235 VanDerWaalsContact C-N 3.29Å; Y233-Q235 PolarHBondContact O-N 3.14Å; Q235-W237 VanDerWaalsContact C-N 3.34Å; Q235-R238 PolarHBondContact O-N 2.81Å; Q235-K239 PolarHBondContact O-N 3.04Å; Q235-K239 VanDerWaalsContact O-N 3.11Å; Q235-T240 WeakPolarHBondContact CG-O 3.48Å; Q235-T240 PolarHBondContact O-N 2.86Å; Q235-Y241 PolarHBondContact NE2-OXT 3.39Å
236	S	84.9	Confident	86	Confident	56 Å²	56	90.3 Å²	90.3	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-40.4	172.1	81.4	0	0	0	0	111.7	L232 Y233 K239	L232-S236 WeakPolarHBondContact O-CB 2.88Å; L232-S236 PolarHBondContact O-N 3.48Å; Y233-S236 PolarHBondContact O-N 2.77Å; Y233-S236 PolarHBondContact O-OG 3.38Å; S236-K239 PolarHBondContact O-N 2.84Å
237	W	83.6	Confident	85.9	Confident	193 Å²	193	88.1 Å²	88.1	73%	0.731	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-41.7	176.1	-175.8	76.7	0	0	0	112.4	Y233 I234 Q235 K239	Y233-W237 PolarHBondContact O-N 3.46Å; I234-W237 PolarHBondContact O-N 3.07Å; Q235-W237 VanDerWaalsContact C-N 3.34Å; W237-K239 PolarHBondContact O-N 3.07Å
238	R	84.8	Confident	85.6	Confident	167 Å²	167	88.4 Å²	88.4	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-70.8	-9.4	176.9	-73.5	-179.3	179.2	-169.4	-1.1	113.9	I234 Q235 T240	I234-R238 HydrophobicContact CG2-CG 4.43Å; I234-R238 WeakPolarHBondContact O-CB 3.39Å; I234-R238 VanDerWaalsContact O-CG 3.3Å; I234-R238 WeakPolarHBondContact O-CG 3.35Å; I234-R238 PolarHBondContact O-N 3.32Å; Q235-R238 PolarHBondContact O-N 2.81Å; R238-T240 VanDerWaalsContact C-N 3.35Å; R238-T240 HydrophobicContact CB-CG2 4.5Å; R238-T240 PolarHBondContact O-N 3.47Å
239	K	83.1	Confident	85.4	Confident	124 Å²	124	92 Å²	92	54%	0.539	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	55	-174.6	-64.5	166	169.2	-178	0	109.9	V190 F193 Q235 S236 W237	V190-K239 HydrophobicContact CG1-CB 4.18Å; V190-K239 HydrophobicContact CG1-CD 3.57Å; V190-K239 HydrophobicContact CG1-CG 3.92Å; F193-K239 HydrophobicContact CD2-CB 3.81Å; F193-K239 WeakPolarHBondContact CD2-O 3.5Å; F193-K239 HydrophobicContact CE2-CB 4.11Å; F193-K239 WeakPolarHBondContact CE2-O 3.43Å; Q235-K239 PolarHBondContact O-N 3.04Å; Q235-K239 VanDerWaalsContact O-N 3.11Å; S236-K239 PolarHBondContact O-N 2.84Å; W237-K239 PolarHBondContact O-N 3.07Å
240	T	80.6	Confident	85.2	Confident	47 Å²	47	92.4 Å²	92.4	29%	0.288	41%	0.41	S	S	.	.			trans	-132.5	159.9	172.9	56.3	0	0	0	0	110.2	Q235 R238	Q235-T240 WeakPolarHBondContact CG-O 3.48Å; Q235-T240 PolarHBondContact O-N 2.86Å; R238-T240 VanDerWaalsContact C-N 3.35Å; R238-T240 HydrophobicContact CB-CG2 4.5Å; R238-T240 PolarHBondContact O-N 3.47Å
241	Y	80.9	Confident	84.9	Confident	6 Å²	6	92.3 Å²	92.3	2%	0.024	40%	0.403	C	S	.	.			trans	-141.9	0	175.9	68.6	-91.3	0	0	0	109.7	I115 A181 R182 H185 V188 F193 F196 T199 Q235	I115-Y241 HydrophobicContact CD1-CD2 3.95Å; I115-Y241 HydrophobicContact CD1-CE2 3.9Å; A181-Y241 PolarHBondContact O-OH 2.99Å; R182-Y241 WeakPolarHBondContact CG-O 3.39Å; R182-Y241 PolarHBondContact NE-O 3.22Å; R182-Y241 VanDerWaalsContact NE-O 3.09Å; R182-Y241 PolarHBondContact NE-OXT 3.17Å; R182-Y241 PolarHBondContact NH2-OXT 2.79Å; H185-Y241 AromaticContact ND1-CE1 3.95Å; V188-Y241 HydrophobicContact CG1-CE1 4.42Å; F193-Y241 HydrophobicContact CB-CD1 4.44Å; F193-Y241 AromaticContact CD1-CD1 3.49Å; F193-Y241 HydrophobicContact CD1-CD1 3.49Å; F193-Y241 VanDerWaalsContact CD1-CD1 3.49Å; F193-Y241 AromaticContact CD1-CE1 3.57Å; F193-Y241 HydrophobicContact CD1-CE1 3.57Å; F193-Y241 AromaticContact CE1-CD1 3.79Å; F193-Y241 HydrophobicContact CE1-CD1 3.79Å; F193-Y241 AromaticContact CE1-CE1 3.46Å; F193-Y241 HydrophobicContact CE1-CE1 3.46Å; F193-Y241 VanDerWaalsContact CE1-CE1 3.46Å; F193-Y241 AromaticContact CG-CD1 3.91Å; F193-Y241 HydrophobicContact CG-CD1 3.91Å; F193-Y241 HydrophobicContact CG-CE1 4.41Å; F193-Y241 HydrophobicContact CZ-CD1 4.41Å; F193-Y241 HydrophobicContact CZ-CE1 4.2Å; F196-Y241 HydrophobicContact CB-CD1 4.14Å; F196-Y241 HydrophobicContact CB-CD2 3.68Å; F196-Y241 HydrophobicContact CB-CE2 4.4Å; F196-Y241 HydrophobicContact CB-CG 3.53Å; F196-Y241 AromaticContact CD2-CD1 3.87Å; F196-Y241 HydrophobicContact CD2-CD1 3.87Å; F196-Y241 AromaticContact CD2-CD2 3.99Å; F196-Y241 HydrophobicContact CD2-CD2 3.99Å; F196-Y241 AromaticContact CD2-CE1 3.77Å; F196-Y241 HydrophobicContact CD2-CE1 3.77Å; F196-Y241 AromaticContact CD2-CE2 3.9Å; F196-Y241 HydrophobicContact CD2-CE2 3.9Å; F196-Y241 AromaticContact CD2-CG 3.98Å; F196-Y241 HydrophobicContact CD2-CG 3.98Å; F196-Y241 AromaticContact CD2-CZ 3.79Å; F196-Y241 HydrophobicContact CE2-CE1 4.43Å; F196-Y241 HydrophobicContact CG-CD2 4.17Å; F196-Y241 HydrophobicContact CG-CE2 4.42Å; F196-Y241 HydrophobicContact CG-CG 4.24Å; T199-Y241 WeakPolarHBondContact CB-OXT 3.49Å; T199-Y241 HydrophobicContact CG2-CD2 4.27Å; T199-Y241 PolarHBondContact OG1-OXT 3.36Å; Q235-Y241 PolarHBondContact NE2-OXT 3.39Å

Retrieved 241 of 241 residues in 169.3 ms (Link to these results)

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