A0A077ZM38_TRITR Loading...

NADH:ubiquinone reductase (H(+)-translocating)

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZM38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

						>A0A077ZM38_TRITR|A0A077ZM38
MSSTLCLLQTDFKKFVANIRVTHMTVLLVLLVIDHIHFENRLIFLIISHGVIRNSLFFLGYFLILVCPDFCINKITGERNRFIHYLTFSMILKFYSLSKHILFLLYYPGFILTYLPSCDHFVSMKQSYNFTII
					

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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	46.3	Very low	43.4	Very low	217 Å²	217	99.7 Å²	99.7	100%	1.069	56%	0.562	S	S	*	*				0	57.9	0	-63.3	179.4	82.8	0	0	111.1
2	S	50.6	Low	44.2	Very low	95 Å²	95	99.7 Å²	99.7	66%	0.664	55%	0.551	S	S	*	*			trans	-114	-29.7	-174.3	171.7	0	0	0	0	112.8	T4 L5 C6	S2-T4 PolarHBondContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 3.44Å; S2-C6 PolarHBondContact O-N 2.99Å
3	S	41.4	Very low	45	Very low	86 Å²	86	103.2 Å²	103.2	60%	0.601	56%	0.557	S	S	*	*	H	α-helix	trans	-65.6	-38.5	-178.4	48.7	0	0	0	0	113.9	L5 C6 L7	S3-L5 PolarHBondContact O-N 3.36Å; S3-C6 PolarHBondContact O-N 3.23Å; S3-L7 WeakPolarHBondContact O-CG 3.44Å; S3-L7 PolarHBondContact O-N 3.4Å
4	T	42.3	Very low	45.8	Very low	81 Å²	81	104.6 Å²	104.6	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-70.4	-30.9	-179.6	50.2	0	0	0	0	113.3	S2 L8	S2-T4 PolarHBondContact O-N 3.09Å; T4-L8 PolarHBondContact O-N 3.4Å; T4-L8 VanDerWaalsContact O-N 3.1Å
5	L	37.6	Very low	46.4	Very low	92 Å²	92	105.7 Å²	105.7	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-76.2	-37	177	-68.6	170.7	0	0	0	111.7	S2 S3 L7 L8 Q9	S2-L5 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact O-N 3.36Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L8 PolarHBondContact O-N 3.06Å; L5-Q9 WeakPolarHBondContact O-CB 3.21Å; L5-Q9 PolarHBondContact O-N 2.83Å
6	C	37.2	Very low	47.1	Very low	74 Å²	74	102.1 Å²	102.1	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-42.2	171.9	-166.3	0	0	0	0	111	S2 S3 Q9 T10	S2-C6 PolarHBondContact O-N 2.99Å; S3-C6 PolarHBondContact O-N 3.23Å; C6-Q9 PolarHBondContact O-N 3.23Å; C6-T10 VanDerWaalsContact O-CG2 3.3Å; C6-T10 WeakPolarHBondContact O-CG2 3.45Å; C6-T10 PolarHBondContact O-N 3.49Å; C6-T10 PolarHBondContact O-OG1 2.94Å
7	L	34.5	Very low	47.7	Very low	102 Å²	102	98.8 Å²	98.8	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-58.6	-52	174.4	-74	168.9	0	0	0	111.5	S3 L5 Q9 T10 D11	S3-L7 WeakPolarHBondContact O-CG 3.44Å; S3-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.48Å; L7-T10 WeakPolarHBondContact CA-OG1 3.25Å; L7-T10 CarbonylContact O-C 3.57Å; L7-T10 PolarHBondContact O-N 2.99Å; L7-T10 VanDerWaalsContact O-N 3.11Å; L7-T10 PolarHBondContact O-OG1 3.33Å; L7-D11 WeakPolarHBondContact O-CB 3.08Å; L7-D11 PolarHBondContact O-N 2.95Å; L7-D11 VanDerWaalsContact O-OD2 3.12Å
8	L	40.6	Very low	48	Very low	116 Å²	116	99 Å²	99	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-59.8	-39	177.9	-93.4	158.8	0	0	0	113.7	T4 L5 D11 F12	T4-L8 PolarHBondContact O-N 3.4Å; T4-L8 VanDerWaalsContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.06Å; L8-D11 PolarHBondContact O-N 3.32Å; L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.49Å
9	Q	43.5	Very low	48.4	Very low	103 Å²	103	96.7 Å²	96.7	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-69.8	-37	176.8	-163.3	-179.4	8	0	0	111.7	L5 C6 L7 D11 K13	L5-Q9 WeakPolarHBondContact O-CB 3.21Å; L5-Q9 PolarHBondContact O-N 2.83Å; C6-Q9 PolarHBondContact O-N 3.23Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.48Å; Q9-D11 VanDerWaalsContact C-N 3.35Å; Q9-K13 WeakPolarHBondContact O-CG 3.34Å; Q9-K13 PolarHBondContact O-N 3.38Å; Q9-K13 VanDerWaalsContact O-N 3.12Å
10	T	51.7	Low	48.8	Very low	53 Å²	53	99.5 Å²	99.5	33%	0.325	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-37.4	171.7	60.6	0	0	0	0	111.7	C6 L7 K13 K14	C6-T10 VanDerWaalsContact O-CG2 3.3Å; C6-T10 WeakPolarHBondContact O-CG2 3.45Å; C6-T10 PolarHBondContact O-N 3.49Å; C6-T10 PolarHBondContact O-OG1 2.94Å; L7-T10 WeakPolarHBondContact CA-OG1 3.25Å; L7-T10 CarbonylContact O-C 3.57Å; L7-T10 PolarHBondContact O-N 2.99Å; L7-T10 VanDerWaalsContact O-N 3.11Å; L7-T10 PolarHBondContact O-OG1 3.33Å; T10-K13 PolarHBondContact O-N 3.25Å; T10-K14 WeakPolarHBondContact O-CB 3.15Å; T10-K14 WeakPolarHBondContact O-CG 3.41Å; T10-K14 PolarHBondContact O-N 3.46Å
11	D	52.1	Low	49	Very low	78 Å²	78	99 Å²	99	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-69.8	-36.5	178.5	-68.5	-30	0	0	0	111.2	L7 L8 Q9 K14 F15	L7-D11 WeakPolarHBondContact O-CB 3.08Å; L7-D11 PolarHBondContact O-N 2.95Å; L7-D11 VanDerWaalsContact O-OD2 3.12Å; L8-D11 PolarHBondContact O-N 3.32Å; Q9-D11 VanDerWaalsContact C-N 3.35Å; D11-K14 CarbonylContact O-C 3.58Å; D11-K14 PolarHBondContact O-N 3.34Å; D11-F15 WeakPolarHBondContact O-CB 3.37Å; D11-F15 PolarHBondContact O-N 2.81Å
12	F	52.9	Low	49.5	Very low	99 Å²	99	92.3 Å²	92.3	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-68.2	-42.2	174.3	-166.5	-98.6	0	0	0	112.1	L8 K14 F15 V16 L63	L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.49Å; F12-K14 VanDerWaalsContact C-N 3.34Å; F12-K14 PolarHBondContact O-N 2.87Å; F12-F15 PolarHBondContact O-N 2.86Å; F12-V16 HydrophobicContact CD1-CG2 4.06Å; F12-V16 HydrophobicContact CE1-CG2 3.74Å; F12-V16 HydrophobicContact CZ-CG2 4.15Å; F12-V16 WeakPolarHBondContact O-CG2 3.28Å; F12-V16 PolarHBondContact O-N 3.13Å; F12-L63 HydrophobicContact CZ-CD2 4.41Å
13	K	53.8	Low	49.8	Very low	145 Å²	145	91.5 Å²	91.5	63%	0.63	48%	0.478	S	S	*	.	H	α-helix	trans	-61.9	-42.5	173.4	-75.4	-179.3	179.4	178.2	0	111.5	Q9 T10 A17	Q9-K13 WeakPolarHBondContact O-CG 3.34Å; Q9-K13 PolarHBondContact O-N 3.38Å; Q9-K13 VanDerWaalsContact O-N 3.12Å; T10-K13 PolarHBondContact O-N 3.25Å; K13-A17 WeakPolarHBondContact O-CB 3.29Å; K13-A17 PolarHBondContact O-N 3.21Å
14	K	56.3	Low	50.3	Low	124 Å²	124	93.1 Å²	93.1	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-38.2	173.7	-74.3	171.8	-177.1	174	0	112	T10 D11 F12 A17 N18	T10-K14 WeakPolarHBondContact O-CB 3.15Å; T10-K14 WeakPolarHBondContact O-CG 3.41Å; T10-K14 PolarHBondContact O-N 3.46Å; D11-K14 CarbonylContact O-C 3.58Å; D11-K14 PolarHBondContact O-N 3.34Å; F12-K14 VanDerWaalsContact C-N 3.34Å; F12-K14 PolarHBondContact O-N 2.87Å; K14-A17 PolarHBondContact O-N 3.48Å; K14-N18 WeakPolarHBondContact O-CB 3.43Å; K14-N18 PolarHBondContact O-N 2.97Å
15	F	54.6	Low	51.1	Low	120 Å²	120	92.6 Å²	92.6	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-46.5	177.5	-179.4	-107.9	0	0	0	111.1	D11 F12 A17 N18 I19	D11-F15 WeakPolarHBondContact O-CB 3.37Å; D11-F15 PolarHBondContact O-N 2.81Å; F12-F15 PolarHBondContact O-N 2.86Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 2.86Å; F15-N18 PolarHBondContact O-N 3.32Å; F15-I19 HydrophobicContact CD1-CD1 3.65Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.22Å; F15-I19 HydrophobicContact CE1-CG1 4.31Å; F15-I19 HydrophobicContact CE2-CD1 4.13Å; F15-I19 HydrophobicContact CE2-CG1 4.46Å; F15-I19 HydrophobicContact CG-CD1 4.29Å; F15-I19 HydrophobicContact CZ-CD1 3.5Å; F15-I19 VanDerWaalsContact CZ-CD1 3.5Å; F15-I19 HydrophobicContact CZ-CG1 4.26Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.48Å
16	V	58.4	Low	52	Low	49 Å²	49	92.4 Å²	92.4	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40	173.8	173.2	0	0	0	0	110.9	F12 R20	F12-V16 HydrophobicContact CD1-CG2 4.06Å; F12-V16 HydrophobicContact CE1-CG2 3.74Å; F12-V16 HydrophobicContact CZ-CG2 4.15Å; F12-V16 WeakPolarHBondContact O-CG2 3.28Å; F12-V16 PolarHBondContact O-N 3.13Å; V16-R20 VanDerWaalsContact O-CG 3.29Å; V16-R20 WeakPolarHBondContact O-CG 3.48Å; V16-R20 PolarHBondContact O-N 3.42Å
17	A	56.8	Low	52.9	Low	45 Å²	45	90.9 Å²	90.9	37%	0.372	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-43	174.6	0	0	0	0	0	112.1	K13 K14 F15 R20 V21	K13-A17 WeakPolarHBondContact O-CB 3.29Å; K13-A17 PolarHBondContact O-N 3.21Å; K14-A17 PolarHBondContact O-N 3.48Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 2.86Å; A17-R20 WeakPolarHBondContact O-CB 3.39Å; A17-R20 PolarHBondContact O-N 2.88Å; A17-R20 VanDerWaalsContact O-N 3.15Å; A17-V21 WeakPolarHBondContact O-CG2 3.26Å; A17-V21 PolarHBondContact O-N 3.39Å
18	N	53.1	Low	54	Low	103 Å²	103	90.9 Å²	90.9	55%	0.551	46%	0.463	S	S	*	.	H	α-helix	trans	-67.1	-38	178.2	-80.6	-1.1	0	0	0	111.9	K14 F15 R20 V21 T22	K14-N18 WeakPolarHBondContact O-CB 3.43Å; K14-N18 PolarHBondContact O-N 2.97Å; F15-N18 PolarHBondContact O-N 3.32Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.4Å; N18-V21 PolarHBondContact O-N 3.2Å; N18-T22 WeakPolarHBondContact O-CG2 3.43Å; N18-T22 PolarHBondContact O-N 3.44Å; N18-T22 PolarHBondContact O-OG1 2.89Å
19	I	56.9	Low	54.8	Low	56 Å²	56	89.2 Å²	89.2	29%	0.287	46%	0.457	S	S	.	.	H	α-helix	trans	-60.6	-42.3	171.1	-71.9	170.7	0	0	0	110.2	F15 V21 T22 H23	F15-I19 HydrophobicContact CD1-CD1 3.65Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.22Å; F15-I19 HydrophobicContact CE1-CG1 4.31Å; F15-I19 HydrophobicContact CE2-CD1 4.13Å; F15-I19 HydrophobicContact CE2-CG1 4.46Å; F15-I19 HydrophobicContact CG-CD1 4.29Å; F15-I19 HydrophobicContact CZ-CD1 3.5Å; F15-I19 VanDerWaalsContact CZ-CD1 3.5Å; F15-I19 HydrophobicContact CZ-CG1 4.26Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.48Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 2.92Å; I19-T22 WeakPolarHBondContact CA-OG1 3.44Å; I19-T22 PolarHBondContact O-N 3.34Å; I19-T22 PolarHBondContact O-OG1 3.34Å; I19-T22 VanDerWaalsContact O-OG1 3.1Å; I19-H23 WeakPolarHBondContact O-CB 3.47Å; I19-H23 PolarHBondContact O-CD2 2.93Å; I19-H23 PolarHBondContact O-N 2.91Å
20	R	56.3	Low	55.2	Low	151 Å²	151	87 Å²	87	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-60.8	-43.7	175.2	-69.6	169.9	-174.5	-164.7	2.1	111.1	V16 A17 N18 M24	V16-R20 VanDerWaalsContact O-CG 3.29Å; V16-R20 WeakPolarHBondContact O-CG 3.48Å; V16-R20 PolarHBondContact O-N 3.42Å; A17-R20 WeakPolarHBondContact O-CB 3.39Å; A17-R20 PolarHBondContact O-N 2.88Å; A17-R20 VanDerWaalsContact O-N 3.15Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.4Å; R20-M24 WeakPolarHBondContact O-CB 3.23Å; R20-M24 WeakPolarHBondContact O-CG 3.12Å; R20-M24 PolarHBondContact O-N 2.84Å
21	V	52.7	Low	55.3	Low	91 Å²	91	88.9 Å²	88.9	55%	0.552	46%	0.456	S	S	*	.	H	α-helix	trans	-63	-51.5	178.2	174.9	0	0	0	0	110.3	A17 N18 I19 H23 M24 T25	A17-V21 WeakPolarHBondContact O-CG2 3.26Å; A17-V21 PolarHBondContact O-N 3.39Å; N18-V21 PolarHBondContact O-N 3.2Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 2.92Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 3.05Å; V21-M24 CarbonylContact O-C 3.46Å; V21-M24 PolarHBondContact O-N 3.22Å; V21-M24 VanDerWaalsContact O-N 3.09Å; V21-T25 PolarHBondContact O-N 3.3Å; V21-T25 PolarHBondContact O-OG1 2.9Å
22	T	56.3	Low	55.6	Low	75 Å²	75	89.6 Å²	89.6	46%	0.46	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-37.8	-178.3	55.7	0	0	0	0	112.9	N18 I19 T25 V26	N18-T22 WeakPolarHBondContact O-CG2 3.43Å; N18-T22 PolarHBondContact O-N 3.44Å; N18-T22 PolarHBondContact O-OG1 2.89Å; I19-T22 WeakPolarHBondContact CA-OG1 3.44Å; I19-T22 PolarHBondContact O-N 3.34Å; I19-T22 PolarHBondContact O-OG1 3.34Å; I19-T22 VanDerWaalsContact O-OG1 3.1Å; T22-T25 WeakPolarHBondContact CA-OG1 3.21Å; T22-T25 PolarHBondContact O-N 2.95Å; T22-T25 PolarHBondContact O-OG1 3.22Å; T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 3.49Å
23	H	56.3	Low	55.8	Low	79 Å²	79	90.1 Å²	90.1	37%	0.366	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-39.5	173.5	-86.7	-101.5	0	0	0	112.3	I19 V21 T25 V26 L27	I19-H23 WeakPolarHBondContact O-CB 3.47Å; I19-H23 PolarHBondContact O-CD2 2.93Å; I19-H23 PolarHBondContact O-N 2.91Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 3.05Å; H23-T25 VanDerWaalsContact C-N 3.35Å; H23-V26 PolarHBondContact O-N 2.9Å; H23-L27 WeakPolarHBondContact O-CB 3.49Å; H23-L27 PolarHBondContact O-N 3.41Å
24	M	52.1	Low	55.7	Low	119 Å²	119	85.1 Å²	85.1	59%	0.586	45%	0.45	S	S	*	.	H	α-helix	trans	-68.9	-33.5	175.2	-64.9	-68.3	-89.6	0	0	111.6	R20 V21 L27 L28	R20-M24 WeakPolarHBondContact O-CB 3.23Å; R20-M24 WeakPolarHBondContact O-CG 3.12Å; R20-M24 PolarHBondContact O-N 2.84Å; V21-M24 CarbonylContact O-C 3.46Å; V21-M24 PolarHBondContact O-N 3.22Å; V21-M24 VanDerWaalsContact O-N 3.09Å; M24-L27 PolarHBondContact O-N 2.86Å; M24-L27 HydrophobicContact SD-CD1 4.08Å; M24-L28 WeakPolarHBondContact O-CB 3.46Å; M24-L28 PolarHBondContact O-N 3.36Å
25	T	58.6	Low	55.4	Low	70 Å²	70	86.5 Å²	86.5	43%	0.429	46%	0.457	S	S	.	.	H	α-helix	trans	-68.5	-42.1	172.9	-7	0	0	0	0	111.8	V21 T22 H23 L27 L28 V29	V21-T25 PolarHBondContact O-N 3.3Å; V21-T25 PolarHBondContact O-OG1 2.9Å; T22-T25 WeakPolarHBondContact CA-OG1 3.21Å; T22-T25 PolarHBondContact O-N 2.95Å; T22-T25 PolarHBondContact O-OG1 3.22Å; H23-T25 VanDerWaalsContact C-N 3.35Å; T25-L27 VanDerWaalsContact C-N 3.32Å; T25-L27 PolarHBondContact O-N 3.18Å; T25-L28 WeakPolarHBondContact O-CB 3.24Å; T25-L28 PolarHBondContact O-N 3.36Å; T25-V29 VanDerWaalsContact O-CG2 3.31Å; T25-V29 WeakPolarHBondContact O-CG2 3.5Å; T25-V29 PolarHBondContact O-N 2.87Å
26	V	57.2	Low	55.3	Low	88 Å²	88	87.2 Å²	87.2	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.5	169.4	0	0	0	0	110.6	T22 H23 V29 L30	T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 3.49Å; H23-V26 PolarHBondContact O-N 2.9Å; V26-V29 PolarHBondContact O-N 3.44Å; V26-L30 HydrophobicContact CG1-CD1 3.74Å; V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 WeakPolarHBondContact O-CD1 3.45Å; V26-L30 WeakPolarHBondContact O-CG 3.31Å; V26-L30 PolarHBondContact O-N 3.29Å
27	L	57.3	Low	55.1	Low	42 Å²	42	90.4 Å²	90.4	22%	0.22	48%	0.477	C	S	.	.	H	α-helix	trans	-60.7	-42.8	171.6	-85.6	179.3	0	0	0	112.8	H23 M24 T25 V29 L30 L31 L45 H49	H23-L27 WeakPolarHBondContact O-CB 3.49Å; H23-L27 PolarHBondContact O-N 3.41Å; M24-L27 PolarHBondContact O-N 2.86Å; M24-L27 HydrophobicContact SD-CD1 4.08Å; T25-L27 VanDerWaalsContact C-N 3.32Å; T25-L27 PolarHBondContact O-N 3.18Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 2.81Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 PolarHBondContact O-N 2.94Å; L27-L45 HydrophobicContact CD2-CD2 4.35Å; L27-L45 HydrophobicContact CD2-CG 4.44Å; L27-H49 VanDerWaalsContact CD1-CD2 3.45Å; L27-H49 WeakPolarHBondContact CD1-CD2 3.4Å; L27-H49 WeakPolarHBondContact CD1-CE1 3.44Å; L27-H49 WeakPolarHBondContact CD1-NE2 3.47Å; L27-H49 HydrophobicContact CD2-CB 4.33Å
28	L	55.9	Low	54.9	Low	103 Å²	103	96 Å²	96	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-43.3	177.8	-175.7	67.6	0	0	0	110.8	M24 T25 L31 V32	M24-L28 WeakPolarHBondContact O-CB 3.46Å; M24-L28 PolarHBondContact O-N 3.36Å; T25-L28 WeakPolarHBondContact O-CB 3.24Å; T25-L28 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 2.94Å; L28-V32 VanDerWaalsContact O-CG2 3.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.47Å; L28-V32 PolarHBondContact O-N 2.86Å
29	V	57.4	Low	55.1	Low	80 Å²	80	98.7 Å²	98.7	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176	170.7	0	0	0	0	110.8	T25 V26 L27 V32 I33	T25-V29 VanDerWaalsContact O-CG2 3.31Å; T25-V29 WeakPolarHBondContact O-CG2 3.5Å; T25-V29 PolarHBondContact O-N 2.87Å; V26-V29 PolarHBondContact O-N 3.44Å; L27-V29 VanDerWaalsContact C-N 3.34Å; V29-V32 PolarHBondContact O-N 3.34Å; V29-I33 HydrophobicContact CG1-CD1 3.61Å; V29-I33 HydrophobicContact CG1-CG1 4.37Å; V29-I33 WeakPolarHBondContact O-CB 3.42Å; V29-I33 VanDerWaalsContact O-CG1 3.23Å; V29-I33 WeakPolarHBondContact O-CG1 3.45Å; V29-I33 PolarHBondContact O-N 3.42Å
30	L	51.8	Low	55.1	Low	58 Å²	58	101.1 Å²	101.1	30%	0.304	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-42	174.5	-82.5	153.9	0	0	0	111.9	V26 L27 V32 I33 D34 L45	V26-L30 HydrophobicContact CG1-CD1 3.74Å; V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 WeakPolarHBondContact O-CD1 3.45Å; V26-L30 WeakPolarHBondContact O-CG 3.31Å; V26-L30 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 2.81Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.01Å; L30-I33 PolarHBondContact O-N 3.31Å; L30-D34 WeakPolarHBondContact O-CB 3.22Å; L30-D34 PolarHBondContact O-N 2.96Å; L30-L45 HydrophobicContact CB-CD2 4.19Å; L30-L45 HydrophobicContact CD1-CD1 4.49Å
31	L	55.2	Low	55.1	Low	91 Å²	91	100 Å²	100	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-36.4	176.7	-173.2	144.4	0	0	0	112	L27 L28 H35	L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 PolarHBondContact O-N 2.94Å; L28-L31 PolarHBondContact O-N 2.94Å; L31-H35 PolarHBondContact O-CD2 2.91Å
32	V	58.1	Low	55.4	Low	94 Å²	94	98.5 Å²	98.5	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-72.8	-37.2	175.3	172.8	0	0	0	0	111.6	L28 V29 L30	L28-V32 VanDerWaalsContact O-CG2 3.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.47Å; L28-V32 PolarHBondContact O-N 2.86Å; V29-V32 PolarHBondContact O-N 3.34Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.01Å
33	I	57.9	Low	55.6	Low	109 Å²	109	99.2 Å²	99.2	56%	0.559	50%	0.501	S	S	*	.	H	α-helix	trans	-74.3	-39.1	178.9	-68.1	169.5	0	0	0	111.6	V29 L30 H35	V29-I33 HydrophobicContact CG1-CD1 3.61Å; V29-I33 HydrophobicContact CG1-CG1 4.37Å; V29-I33 WeakPolarHBondContact O-CB 3.42Å; V29-I33 VanDerWaalsContact O-CG1 3.23Å; V29-I33 WeakPolarHBondContact O-CG1 3.45Å; V29-I33 PolarHBondContact O-N 3.42Å; L30-I33 PolarHBondContact O-N 3.31Å; I33-H35 VanDerWaalsContact C-N 3.26Å; I33-H35 PolarHBondContact O-N 3.44Å
34	D	50.9	Low	55.8	Low	41 Å²	41	100.6 Å²	100.6	22%	0.219	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-82.9	5.6	-177.7	-84.8	-23.7	0	0	0	114.1	L30 I36 H37 L42	L30-D34 WeakPolarHBondContact O-CB 3.22Å; L30-D34 PolarHBondContact O-N 2.96Å; D34-I36 PolarHBondContact O-N 3.48Å; D34-H37 PolarHBondContact O-N 2.94Å; D34-L42 HydrophobicContact CB-CD2 4.46Å
35	H	49.9	Very low	56.4	Low	152 Å²	152	96.5 Å²	96.5	70%	0.704	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-60.2	-3.8	171.4	-113.4	-57.9	0	0	0	114	L31 I33	L31-H35 PolarHBondContact O-CD2 2.91Å; I33-H35 VanDerWaalsContact C-N 3.26Å; I33-H35 PolarHBondContact O-N 3.44Å
36	I	53	Low	56.9	Low	135 Å²	135	98.8 Å²	98.8	69%	0.692	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-109.9	-15.5	-174.6	-56.1	176.9	0	0	0	112.2	D34	D34-I36 PolarHBondContact O-N 3.48Å
37	H	53.1	Low	57.3	Low	117 Å²	117	99.3 Å²	99.3	54%	0.542	49%	0.493	S	S	.	.	S	Bend	trans	-146.3	102.1	-176.3	-74	-61	0	0	0	116.7	D34	D34-H37 PolarHBondContact O-N 2.94Å
38	F	53.1	Low	57.7	Low	163 Å²	163	98 Å²	98	72%	0.715	49%	0.488	S	S	*	.			trans	63.5	116.2	148.5	-82.3	-92.9	0	0	0	120.3	N40 R41	F38-N40 PolarHBondContact O-N 2.75Å; F38-R41 PolarHBondContact O-N 2.83Å
39	E	57.8	Low	58.3	Low	159 Å²	159	95.1 Å²	95.1	74%	0.743	47%	0.471	S	S	*	.	H	α-helix	trans	-44.8	-29.5	177.9	-59.1	-173.3	152.4	0	0	115.6	I43	E39-I43 WeakPolarHBondContact O-CG1 3.34Å; E39-I43 PolarHBondContact O-N 2.92Å
40	N	56.7	Low	58.8	Low	107 Å²	107	93 Å²	93	57%	0.572	47%	0.466	S	S	*	.	H	α-helix	trans	-69.6	-36.3	179.3	-69.3	-14.7	0	0	0	113	F38 L42 I43 F44	F38-N40 PolarHBondContact O-N 2.75Å; N40-L42 VanDerWaalsContact C-N 3.33Å; N40-L42 PolarHBondContact O-N 3.32Å; N40-I43 PolarHBondContact O-N 3.34Å; N40-F44 WeakPolarHBondContact O-CD2 3.35Å; N40-F44 PolarHBondContact O-N 2.84Å
41	R	56.4	Low	59.4	Low	126 Å²	126	93.5 Å²	93.5	48%	0.475	47%	0.471	S	S	.	.	H	α-helix	trans	-68.1	-36.5	-179.9	-69	-176.6	-180	-132	-0.7	111.5	F38 F44 L45	F38-R41 PolarHBondContact O-N 2.83Å; R41-F44 PolarHBondContact O-N 3.38Å; R41-L45 WeakPolarHBondContact O-CB 3.48Å; R41-L45 PolarHBondContact O-N 3.03Å
42	L	58.6	Low	60	Low	60 Å²	60	91.9 Å²	91.9	31%	0.314	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.9	-73.4	168.8	0	0	0	112.1	D34 N40 F44 L45 I46	D34-L42 HydrophobicContact CB-CD2 4.46Å; N40-L42 VanDerWaalsContact C-N 3.33Å; N40-L42 PolarHBondContact O-N 3.32Å; L42-F44 PolarHBondContact O-N 3.47Å; L42-L45 PolarHBondContact O-N 3.44Å; L42-I46 WeakPolarHBondContact O-CB 3.46Å; L42-I46 WeakPolarHBondContact O-CD1 3.4Å; L42-I46 WeakPolarHBondContact O-CG1 3.1Å; L42-I46 PolarHBondContact O-N 2.9Å
43	I	59.5	Low	60.3	Low	91 Å²	91	95.8 Å²	95.8	47%	0.467	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-47.3	176.4	-64.4	165.1	0	0	0	110.2	E39 N40 L45 I46 I47	E39-I43 WeakPolarHBondContact O-CG1 3.34Å; E39-I43 PolarHBondContact O-N 2.92Å; N40-I43 PolarHBondContact O-N 3.34Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.79Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.41Å
44	F	61.1	Low	60.5	Low	108 Å²	108	96.1 Å²	96.1	47%	0.474	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-37.7	176.6	-73.3	-66.4	0	0	0	112.5	N40 R41 L42 S48 L105	N40-F44 WeakPolarHBondContact O-CD2 3.35Å; N40-F44 PolarHBondContact O-N 2.84Å; R41-F44 PolarHBondContact O-N 3.38Å; L42-F44 PolarHBondContact O-N 3.47Å; F44-S48 VanDerWaalsContact O-CB 3.29Å; F44-S48 WeakPolarHBondContact O-CB 3.29Å; F44-S48 PolarHBondContact O-N 3.37Å; F44-S48 PolarHBondContact O-OG 3.49Å; F44-L105 HydrophobicContact CB-CD1 3.7Å; F44-L105 HydrophobicContact CB-CD2 4.31Å; F44-L105 HydrophobicContact CB-CG 3.88Å
45	L	66	Low	61.1	Low	32 Å²	32	95.5 Å²	95.5	17%	0.168	47%	0.469	C	S	.	.	H	α-helix	trans	-64.7	-44	175.4	-171	71.3	0	0	0	111.7	L27 L30 R41 L42 I43 S48 H49	L27-L45 HydrophobicContact CD2-CD2 4.35Å; L27-L45 HydrophobicContact CD2-CG 4.44Å; L30-L45 HydrophobicContact CB-CD2 4.19Å; L30-L45 HydrophobicContact CD1-CD1 4.49Å; R41-L45 WeakPolarHBondContact O-CB 3.48Å; R41-L45 PolarHBondContact O-N 3.03Å; L42-L45 PolarHBondContact O-N 3.44Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.79Å; L45-S48 WeakPolarHBondContact CA-OG 3.46Å; L45-S48 PolarHBondContact O-OG 2.77Å; L45-H49 WeakPolarHBondContact O-CB 3.24Å; L45-H49 PolarHBondContact O-N 3.42Å
46	I	68	Low	61.7	Low	118 Å²	118	92.3 Å²	92.3	61%	0.605	46%	0.457	S	S	*	.	H	α-helix	trans	-64.2	-44.7	178	-69.2	161.8	0	0	0	110.6	L42 I43 H49 G50	L42-I46 WeakPolarHBondContact O-CB 3.46Å; L42-I46 WeakPolarHBondContact O-CD1 3.4Å; L42-I46 WeakPolarHBondContact O-CG1 3.1Å; L42-I46 PolarHBondContact O-N 2.9Å; I43-I46 PolarHBondContact O-N 2.87Å; I46-H49 PolarHBondContact O-N 3.33Å; I46-G50 PolarHBondContact O-N 2.93Å
47	I	65	Low	62.2	Low	99 Å²	99	92.1 Å²	92.1	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-49.7	178.3	-66.7	168.8	0	0	0	110.3	I43 H49 G50 V51	I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.41Å; I47-H49 VanDerWaalsContact C-N 3.31Å; I47-H49 PolarHBondContact O-N 3.09Å; I47-G50 PolarHBondContact O-N 3.06Å; I47-G50 VanDerWaalsContact O-N 3.13Å; I47-V51 HydrophobicContact CG2-CG2 4.45Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.1Å
48	S	67	Low	62.6	Low	16 Å²	16	93.3 Å²	93.3	11%	0.112	46%	0.455	C	S	.	.	H	α-helix	trans	-61.6	-41.3	179.1	58.6	0	0	0	0	111.5	F44 L45 G50 V51 I52	F44-S48 VanDerWaalsContact O-CB 3.29Å; F44-S48 WeakPolarHBondContact O-CB 3.29Å; F44-S48 PolarHBondContact O-N 3.37Å; F44-S48 PolarHBondContact O-OG 3.49Å; L45-S48 WeakPolarHBondContact CA-OG 3.46Å; L45-S48 PolarHBondContact O-OG 2.77Å; S48-G50 PolarHBondContact O-N 3.47Å; S48-V51 PolarHBondContact O-N 3.44Å; S48-I52 WeakPolarHBondContact O-CB 3.33Å; S48-I52 WeakPolarHBondContact O-CD1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.26Å; S48-I52 PolarHBondContact O-N 2.94Å
49	H	67.4	Low	63.1	Low	41 Å²	41	87.4 Å²	87.4	19%	0.19	43%	0.43	C	S	.	.	H	α-helix	trans	-61.8	-42.5	173.5	-176.1	-95.4	0	0	0	112.2	L27 L45 I46 I47 I52 R53	L27-H49 VanDerWaalsContact CD1-CD2 3.45Å; L27-H49 WeakPolarHBondContact CD1-CD2 3.4Å; L27-H49 WeakPolarHBondContact CD1-CE1 3.44Å; L27-H49 WeakPolarHBondContact CD1-NE2 3.47Å; L27-H49 HydrophobicContact CD2-CB 4.33Å; L45-H49 WeakPolarHBondContact O-CB 3.24Å; L45-H49 PolarHBondContact O-N 3.42Å; I46-H49 PolarHBondContact O-N 3.33Å; I47-H49 VanDerWaalsContact C-N 3.31Å; I47-H49 PolarHBondContact O-N 3.09Å; H49-I52 PolarHBondContact O-N 3.45Å; H49-R53 VanDerWaalsContact O-CB 3.24Å; H49-R53 WeakPolarHBondContact O-CB 3.27Å; H49-R53 PolarHBondContact O-N 3.2Å
50	G	68.1	Low	63.4	Low	37 Å²	37	81 Å²	81	38%	0.381	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-45.7	175.2	0	0	0	0	0	112.6	I46 I47 S48 R53 N54	I46-G50 PolarHBondContact O-N 2.93Å; I47-G50 PolarHBondContact O-N 3.06Å; I47-G50 VanDerWaalsContact O-N 3.13Å; S48-G50 PolarHBondContact O-N 3.47Å; G50-R53 PolarHBondContact O-N 3.15Å; G50-N54 WeakPolarHBondContact O-CB 3.34Å; G50-N54 PolarHBondContact O-N 3.06Å
51	V	64.3	Low	63.6	Low	67 Å²	67	82.5 Å²	82.5	41%	0.406	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-44.5	178.3	174.7	0	0	0	0	111.3	I47 S48 N54 S55	I47-V51 HydrophobicContact CG2-CG2 4.45Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.1Å; S48-V51 PolarHBondContact O-N 3.44Å; V51-N54 PolarHBondContact O-N 2.86Å; V51-S55 VanDerWaalsContact O-CB 3.29Å; V51-S55 WeakPolarHBondContact O-CB 3.35Å; V51-S55 PolarHBondContact O-N 3.36Å; V51-S55 PolarHBondContact O-OG 3.17Å
52	I	69.1	Low	63.9	Low	57 Å²	57	81 Å²	81	29%	0.292	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-44.9	177.7	-68	164.8	0	0	0	110.4	S48 H49 N54 S55 L56	S48-I52 WeakPolarHBondContact O-CB 3.33Å; S48-I52 WeakPolarHBondContact O-CD1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.26Å; S48-I52 PolarHBondContact O-N 2.94Å; H49-I52 PolarHBondContact O-N 3.45Å; I52-N54 PolarHBondContact O-N 3.49Å; I52-S55 WeakPolarHBondContact O-CB 3.32Å; I52-S55 PolarHBondContact O-N 2.96Å; I52-L56 HydrophobicContact CG2-CD1 3.9Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 WeakPolarHBondContact O-CG 3.42Å; I52-L56 PolarHBondContact O-N 3.42Å
53	R	63.3	Low	64	Low	176 Å²	176	80.2 Å²	80.2	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-61.5	-44.7	178.2	-177.4	-179.3	175.3	-170.4	-1.1	111.8	H49 G50 S55 L56 F57	H49-R53 VanDerWaalsContact O-CB 3.24Å; H49-R53 WeakPolarHBondContact O-CB 3.27Å; H49-R53 PolarHBondContact O-N 3.2Å; G50-R53 PolarHBondContact O-N 3.15Å; R53-S55 VanDerWaalsContact C-N 3.32Å; R53-L56 PolarHBondContact O-N 2.91Å; R53-F57 PolarHBondContact O-N 3.26Å
54	N	62.6	Low	64.1	Low	116 Å²	116	81.2 Å²	81.2	62%	0.62	40%	0.404	S	S	*	.	H	α-helix	trans	-65.4	-40.4	179.4	-159.6	27.9	0	0	0	111	G50 V51 I52 F57 F58	G50-N54 WeakPolarHBondContact O-CB 3.34Å; G50-N54 PolarHBondContact O-N 3.06Å; V51-N54 PolarHBondContact O-N 2.86Å; I52-N54 PolarHBondContact O-N 3.49Å; N54-F57 PolarHBondContact O-N 2.93Å; N54-F58 WeakPolarHBondContact O-CB 3.44Å; N54-F58 PolarHBondContact O-N 3.42Å
55	S	62.1	Low	64	Low	29 Å²	29	81.3 Å²	81.3	20%	0.203	41%	0.409	C	S	.	.	H	α-helix	trans	-62.8	-44.1	176.1	-62.9	0	0	0	0	112.9	V51 I52 R53 F58 L59	V51-S55 VanDerWaalsContact O-CB 3.29Å; V51-S55 WeakPolarHBondContact O-CB 3.35Å; V51-S55 PolarHBondContact O-N 3.36Å; V51-S55 PolarHBondContact O-OG 3.17Å; I52-S55 WeakPolarHBondContact O-CB 3.32Å; I52-S55 PolarHBondContact O-N 2.96Å; R53-S55 VanDerWaalsContact C-N 3.32Å; S55-F58 PolarHBondContact O-N 2.84Å; S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.37Å
56	L	63	Low	63.6	Low	85 Å²	85	83.9 Å²	83.9	45%	0.445	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.6	-76.9	167.8	0	0	0	112.1	I52 R53 L59 G60	I52-L56 HydrophobicContact CG2-CD1 3.9Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 WeakPolarHBondContact O-CG 3.42Å; I52-L56 PolarHBondContact O-N 3.42Å; R53-L56 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-G60 PolarHBondContact O-N 2.81Å
57	F	63.5	Low	63.1	Low	131 Å²	131	79 Å²	79	58%	0.575	40%	0.402	S	S	*	.	H	α-helix	trans	-65	-44.5	175.5	-171	-95.6	0	0	0	111.2	R53 N54 G60 Y61	R53-F57 PolarHBondContact O-N 3.26Å; N54-F57 PolarHBondContact O-N 2.93Å; F57-G60 PolarHBondContact O-N 2.89Å; F57-Y61 WeakPolarHBondContact O-CB 3.43Å; F57-Y61 PolarHBondContact O-N 3.32Å
58	F	61.1	Low	62.5	Low	141 Å²	141	78 Å²	78	62%	0.618	40%	0.402	S	S	*	.	H	α-helix	trans	-63.4	-42.1	176.8	-164.9	-95.2	0	0	0	111.9	N54 S55 Y61 F62	N54-F58 WeakPolarHBondContact O-CB 3.44Å; N54-F58 PolarHBondContact O-N 3.42Å; S55-F58 PolarHBondContact O-N 2.84Å; F58-Y61 PolarHBondContact O-N 3.32Å; F58-F62 VanDerWaalsContact O-CB 3.23Å; F58-F62 WeakPolarHBondContact O-CB 3.37Å; F58-F62 PolarHBondContact O-N 2.95Å
59	L	64.7	Low	61.8	Low	39 Å²	39	81.2 Å²	81.2	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-61.7	-46.6	175.6	-169.9	84.5	0	0	0	111.6	S55 L56 F62 L63 M90 F94	S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.37Å; L56-L59 PolarHBondContact O-N 3.49Å; L59-F62 PolarHBondContact O-N 3.43Å; L59-L63 WeakPolarHBondContact O-CB 3.5Å; L59-L63 PolarHBondContact O-N 2.73Å; L59-M90 HydrophobicContact CD1-CB 4.23Å; L59-F94 HydrophobicContact CD1-CD2 4.34Å; L59-F94 HydrophobicContact CD1-CE2 4.08Å
60	G	63.9	Low	61	Low	26 Å²	26	85.9 Å²	85.9	27%	0.268	44%	0.438	S	S	.	.	H	α-helix	trans	-62.5	-43	178.2	0	0	0	0	0	112.2	L56 F57 L63 I64	L56-G60 PolarHBondContact O-N 2.81Å; F57-G60 PolarHBondContact O-N 2.89Å; G60-L63 PolarHBondContact O-N 3.49Å; G60-I64 WeakPolarHBondContact O-CD1 3.41Å; G60-I64 VanDerWaalsContact O-CG1 3.26Å; G60-I64 WeakPolarHBondContact O-CG1 3.44Å; G60-I64 PolarHBondContact O-N 3.22Å
61	Y	62	Low	60.1	Low	137 Å²	137	87.5 Å²	87.5	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-43.8	175.8	-170.6	-96.8	0	0	0	111.9	F57 F58 L63 I64 L65	F57-Y61 WeakPolarHBondContact O-CB 3.43Å; F57-Y61 PolarHBondContact O-N 3.32Å; F58-Y61 PolarHBondContact O-N 3.32Å; Y61-L63 PolarHBondContact O-N 3.12Å; Y61-I64 PolarHBondContact O-N 3.04Å; Y61-L65 HydrophobicContact CE1-CD2 4.2Å; Y61-L65 WeakPolarHBondContact O-CB 3.41Å; Y61-L65 PolarHBondContact O-N 3.35Å
62	F	62.5	Low	59.4	Low	94 Å²	94	90.1 Å²	90.1	41%	0.412	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-40.1	177.5	-171.3	-96.5	0	0	0	112	F58 L59 I64 L65 V66	F58-F62 VanDerWaalsContact O-CB 3.23Å; F58-F62 WeakPolarHBondContact O-CB 3.37Å; F58-F62 PolarHBondContact O-N 2.95Å; L59-F62 PolarHBondContact O-N 3.43Å; F62-I64 VanDerWaalsContact C-N 3.29Å; F62-I64 PolarHBondContact O-N 2.86Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-V66 HydrophobicContact CD1-CB 4.39Å; F62-V66 HydrophobicContact CD1-CG2 3.82Å; F62-V66 HydrophobicContact CD2-CG2 3.82Å; F62-V66 HydrophobicContact CE1-CB 4.21Å; F62-V66 HydrophobicContact CE1-CG1 4.5Å; F62-V66 HydrophobicContact CE1-CG2 3.52Å; F62-V66 HydrophobicContact CE2-CG2 3.52Å; F62-V66 HydrophobicContact CG-CG2 3.98Å; F62-V66 HydrophobicContact CZ-CB 4.48Å; F62-V66 HydrophobicContact CZ-CG2 3.39Å; F62-V66 VanDerWaalsContact O-CB 3.29Å; F62-V66 WeakPolarHBondContact O-CB 3.26Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 2.94Å
63	L	60.3	Low	58.1	Low	45 Å²	45	91.5 Å²	91.5	24%	0.236	46%	0.461	C	S	.	.	H	α-helix	trans	-60.9	-40.7	175.9	-161.5	91.9	0	0	0	111.4	F12 L59 G60 Y61 C67 T87	F12-L63 HydrophobicContact CZ-CD2 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.5Å; L59-L63 PolarHBondContact O-N 2.73Å; G60-L63 PolarHBondContact O-N 3.49Å; Y61-L63 PolarHBondContact O-N 3.12Å; L63-C67 WeakPolarHBondContact O-CA 3.34Å; L63-C67 WeakPolarHBondContact O-CB 3.32Å; L63-C67 PolarHBondContact O-N 3.24Å; L63-C67 VanDerWaalsContact O-N 3.12Å; L63-T87 HydrophobicContact CD1-CG2 3.96Å
64	I	61.9	Low	57.4	Low	112 Å²	112	92.7 Å²	92.7	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-70.9	-40.9	177.4	-65.2	163.9	0	0	0	111	G60 Y61 F62 C67	G60-I64 WeakPolarHBondContact O-CD1 3.41Å; G60-I64 VanDerWaalsContact O-CG1 3.26Å; G60-I64 WeakPolarHBondContact O-CG1 3.44Å; G60-I64 PolarHBondContact O-N 3.22Å; Y61-I64 PolarHBondContact O-N 3.04Å; F62-I64 VanDerWaalsContact C-N 3.29Å; F62-I64 PolarHBondContact O-N 2.86Å; I64-C67 CarbonylContact O-C 3.59Å
65	L	58.1	Low	56.7	Low	110 Å²	110	93.8 Å²	93.8	58%	0.576	48%	0.475	S	S	*	.	H	α-helix	trans	-74.9	-43.9	-176.4	-173.1	73.7	0	0	0	113	Y61 F62 C67 P68	Y61-L65 HydrophobicContact CE1-CD2 4.2Å; Y61-L65 WeakPolarHBondContact O-CB 3.41Å; Y61-L65 PolarHBondContact O-N 3.35Å; F62-L65 PolarHBondContact O-N 2.98Å; L65-C67 VanDerWaalsContact C-N 3.32Å; L65-P68 WeakPolarHBondContact O-CD 3.39Å
66	V	58.6	Low	56	Low	86 Å²	86	95.8 Å²	95.8	52%	0.521	49%	0.486	S	S	.	.	H	α-helix	trans	-77.7	-24.8	179.5	174.7	0	0	0	0	111.3	F62 P68	F62-V66 HydrophobicContact CD1-CB 4.39Å; F62-V66 HydrophobicContact CD1-CG2 3.82Å; F62-V66 HydrophobicContact CD2-CG2 3.82Å; F62-V66 HydrophobicContact CE1-CB 4.21Å; F62-V66 HydrophobicContact CE1-CG1 4.5Å; F62-V66 HydrophobicContact CE1-CG2 3.52Å; F62-V66 HydrophobicContact CE2-CG2 3.52Å; F62-V66 HydrophobicContact CG-CG2 3.98Å; F62-V66 HydrophobicContact CZ-CB 4.48Å; F62-V66 HydrophobicContact CZ-CG2 3.39Å; F62-V66 VanDerWaalsContact O-CB 3.29Å; F62-V66 WeakPolarHBondContact O-CB 3.26Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 2.94Å; V66-P68 WeakPolarHBondContact O-CD 3.38Å
67	C	56	Low	55.5	Low	15 Å²	15	94.5 Å²	94.5	10%	0.101	49%	0.494	C	S	.	.			trans	-126.7	63.5	-177.8	-129.6	0	0	0	0	111.5	L63 I64 L65 D69 F70 I83	L63-C67 WeakPolarHBondContact O-CA 3.34Å; L63-C67 WeakPolarHBondContact O-CB 3.32Å; L63-C67 PolarHBondContact O-N 3.24Å; L63-C67 VanDerWaalsContact O-N 3.12Å; I64-C67 CarbonylContact O-C 3.59Å; L65-C67 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 2.76Å; C67-F70 HydrophobicContact CB-CB 4.01Å; C67-F70 PolarHBondContact O-N 3.43Å; C67-F70 VanDerWaalsContact O-N 3.14Å; C67-I83 VanDerWaalsContact SG-CD1 3.58Å
68	P	53.7	Low	55	Low	78 Å²	78	96 Å²	96	51%	0.506	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.1	166.9	28	-32.8	0	0	0	110.3	L65 V66	L65-P68 WeakPolarHBondContact O-CD 3.39Å; V66-P68 WeakPolarHBondContact O-CD 3.38Å
69	D	51.8	Low	54.4	Low	83 Å²	83	97.9 Å²	97.9	44%	0.444	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-80.3	-8.1	177.9	-74.6	-48.6	0	0	0	115.5	C67 C71 I72 N73	C67-D69 PolarHBondContact O-N 2.76Å; D69-C71 PolarHBondContact O-N 3.32Å; D69-C71 VanDerWaalsContact O-N 3.09Å; D69-I72 PolarHBondContact O-N 2.87Å; D69-N73 PolarHBondContact O-N 2.84Å; D69-N73 VanDerWaalsContact O-N 3.16Å
70	F	50.5	Low	53.8	Low	140 Å²	140	99.5 Å²	99.5	61%	0.614	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21	173.5	-155.2	-94.6	0	0	0	111.3	C67 I83	C67-F70 HydrophobicContact CB-CB 4.01Å; C67-F70 PolarHBondContact O-N 3.43Å; C67-F70 VanDerWaalsContact O-N 3.14Å; F70-I83 HydrophobicContact CD2-CG2 4.46Å
71	C	49.2	Very low	53.3	Low	71 Å²	71	107 Å²	107	48%	0.48	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-101.7	-10.7	172.8	-71.8	0	0	0	0	114.9	D69	D69-C71 PolarHBondContact O-N 3.32Å; D69-C71 VanDerWaalsContact O-N 3.09Å
72	I	48.8	Very low	52.9	Low	121 Å²	121	107.3 Å²	107.3	62%	0.621	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-26.7	-164.7	-62.8	179.4	0	0	0	114.9	D69	D69-I72 PolarHBondContact O-N 2.87Å
73	N	43	Very low	52.6	Low	86 Å²	86	104.9 Å²	104.9	46%	0.46	53%	0.53	S	S	.	.			trans	-141.9	93.6	-174.7	-89.1	-45	0	0	0	115.7	D69 I75	D69-N73 PolarHBondContact O-N 2.84Å; D69-N73 VanDerWaalsContact O-N 3.16Å; N73-I75 PolarHBondContact O-N 3.17Å
74	K	48	Very low	52.4	Low	202 Å²	202	109.3 Å²	109.3	88%	0.878	55%	0.549	S	S	*	.			trans	-77.9	47.7	166.4	-160	-174.2	-177.5	179.2	0	111.8
75	I	47.5	Very low	52.3	Low	138 Å²	138	111.6 Å²	111.6	71%	0.708	55%	0.552	S	S	*	*			trans	-122.4	3.6	-170.6	-63.5	178.4	0	0	0	114.7	N73	N73-I75 PolarHBondContact O-N 3.17Å
76	T	48.2	Very low	52.4	Low	71 Å²	71	110 Å²	110	44%	0.436	54%	0.543	S	S	.	.			trans	-137.5	99.7	169.1	48.1	0	0	0	0	112.4	E78 R79	T76-E78 PolarHBondContact O-N 2.83Å; T76-R79 PolarHBondContact O-N 3.41Å
77	G	52.6	Low	52.4	Low	59 Å²	59	107.6 Å²	107.6	61%	0.608	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.4	-178	0	0	0	0	0	116
78	E	51.8	Low	52.6	Low	161 Å²	161	112.4 Å²	112.4	75%	0.752	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-37.8	174	-69.5	-162.5	143.3	0	0	113.8	T76 N80 R81	T76-E78 PolarHBondContact O-N 2.83Å; E78-N80 VanDerWaalsContact C-N 3.34Å; E78-N80 PolarHBondContact O-N 3.47Å; E78-R81 PolarHBondContact O-N 3.36Å
79	R	49.4	Very low	53	Low	181 Å²	181	110.1 Å²	110.1	68%	0.683	54%	0.535	S	S	*	.	H	α-helix	trans	-68	-33.1	-179.9	-75.5	-170.3	-170.5	178.4	5.1	112.9	T76 R81 F82 I83	T76-R79 PolarHBondContact O-N 3.41Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 PolarHBondContact O-N 3.18Å; R79-F82 PolarHBondContact O-N 3.12Å; R79-I83 WeakPolarHBondContact O-CD1 3.46Å; R79-I83 WeakPolarHBondContact O-CG1 3.29Å; R79-I83 PolarHBondContact O-N 2.81Å
80	N	51.9	Low	53.4	Low	74 Å²	74	109.3 Å²	109.3	40%	0.396	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-31.1	177.9	-78.6	-8.1	0	0	0	113.2	E78 H84	E78-N80 VanDerWaalsContact C-N 3.34Å; E78-N80 PolarHBondContact O-N 3.47Å; N80-H84 VanDerWaalsContact O-CB 3.31Å; N80-H84 WeakPolarHBondContact O-CB 3.13Å; N80-H84 PolarHBondContact O-N 2.87Å
81	R	52.8	Low	53.9	Low	182 Å²	182	106.8 Å²	106.8	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-70.8	-38.6	175.8	-79.2	-171.6	-93.8	-168.9	-1.3	111.7	E78 R79 H84 Y85	E78-R81 PolarHBondContact O-N 3.36Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 PolarHBondContact O-N 3.18Å; R81-H84 PolarHBondContact O-N 3.29Å; R81-Y85 VanDerWaalsContact O-CB 3.31Å; R81-Y85 WeakPolarHBondContact O-CB 3.46Å; R81-Y85 PolarHBondContact O-N 2.87Å
82	F	53.4	Low	54.6	Low	145 Å²	145	107.6 Å²	107.6	64%	0.636	52%	0.52	S	S	*	.	H	α-helix	trans	-67.1	-42.1	176.8	-163.9	-97.4	0	0	0	111.8	R79 Y85 L86	R79-F82 PolarHBondContact O-N 3.12Å; F82-Y85 PolarHBondContact O-N 3.36Å; F82-L86 VanDerWaalsContact O-CB 3.29Å; F82-L86 WeakPolarHBondContact O-CB 3.23Å; F82-L86 PolarHBondContact O-N 3.35Å
83	I	56.2	Low	55.3	Low	42 Å²	42	108.4 Å²	108.4	22%	0.215	52%	0.519	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.8	-65	157.4	0	0	0	110.8	C67 F70 R79 L86 T87	C67-I83 VanDerWaalsContact SG-CD1 3.58Å; F70-I83 HydrophobicContact CD2-CG2 4.46Å; R79-I83 WeakPolarHBondContact O-CD1 3.46Å; R79-I83 WeakPolarHBondContact O-CG1 3.29Å; R79-I83 PolarHBondContact O-N 2.81Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-T87 VanDerWaalsContact O-CB 3.3Å; I83-T87 WeakPolarHBondContact O-CB 3.29Å; I83-T87 PolarHBondContact O-N 2.84Å; I83-T87 PolarHBondContact O-OG1 2.78Å
84	H	56.6	Low	56.2	Low	138 Å²	138	107.5 Å²	107.5	64%	0.639	51%	0.511	S	S	*	.	H	α-helix	trans	-64.4	-42.7	176.5	-166.1	-92.8	0	0	0	111.7	N80 R81 T87 F88	N80-H84 VanDerWaalsContact O-CB 3.31Å; N80-H84 WeakPolarHBondContact O-CB 3.13Å; N80-H84 PolarHBondContact O-N 2.87Å; R81-H84 PolarHBondContact O-N 3.29Å; H84-T87 PolarHBondContact O-N 3.47Å; H84-F88 WeakPolarHBondContact O-CB 3.18Å; H84-F88 PolarHBondContact O-N 3.32Å
85	Y	59.6	Low	56.7	Low	160 Å²	160	104.3 Å²	104.3	63%	0.627	49%	0.494	S	S	*	.	H	α-helix	trans	-64	-44.3	175.9	-176.2	-94.3	0	0	0	112.2	R81 F82 F88 S89	R81-Y85 VanDerWaalsContact O-CB 3.31Å; R81-Y85 WeakPolarHBondContact O-CB 3.46Å; R81-Y85 PolarHBondContact O-N 2.87Å; F82-Y85 PolarHBondContact O-N 3.36Å; Y85-F88 PolarHBondContact O-N 3.3Å; Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 2.9Å
86	L	59.9	Low	57.5	Low	76 Å²	76	100.3 Å²	100.3	40%	0.398	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-44.6	178.2	-173.9	67	0	0	0	111	F82 I83 S89 M90	F82-L86 VanDerWaalsContact O-CB 3.29Å; F82-L86 WeakPolarHBondContact O-CB 3.23Å; F82-L86 PolarHBondContact O-N 3.35Å; I83-L86 PolarHBondContact O-N 2.86Å; L86-S89 PolarHBondContact O-N 3.3Å; L86-M90 WeakPolarHBondContact O-CB 3.36Å; L86-M90 WeakPolarHBondContact O-CG 3.35Å; L86-M90 PolarHBondContact O-N 2.88Å
87	T	58.6	Low	58.1	Low	37 Å²	37	101.1 Å²	101.1	23%	0.227	48%	0.48	C	S	.	.	H	α-helix	trans	-62.4	-46.2	177	-53.7	0	0	0	0	110.7	L63 I83 H84 M90 I91	L63-T87 HydrophobicContact CD1-CG2 3.96Å; I83-T87 VanDerWaalsContact O-CB 3.3Å; I83-T87 WeakPolarHBondContact O-CB 3.29Å; I83-T87 PolarHBondContact O-N 2.84Å; I83-T87 PolarHBondContact O-OG1 2.78Å; H84-T87 PolarHBondContact O-N 3.47Å; T87-M90 PolarHBondContact O-N 3.41Å; T87-I91 HydrophobicContact CG2-CD1 3.94Å; T87-I91 WeakPolarHBondContact O-CB 3.5Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3.11Å
88	F	60.5	Low	58.5	Low	115 Å²	115	100.2 Å²	100.2	50%	0.504	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-42.3	177.6	-173.4	-106	0	0	0	112.4	H84 Y85 I91 L92	H84-F88 WeakPolarHBondContact O-CB 3.18Å; H84-F88 PolarHBondContact O-N 3.32Å; Y85-F88 PolarHBondContact O-N 3.3Å; F88-I91 PolarHBondContact O-N 2.89Å; F88-L92 HydrophobicContact CD1-CD1 3.52Å; F88-L92 HydrophobicContact CD1-CG 4.46Å; F88-L92 HydrophobicContact CE1-CD1 3.24Å; F88-L92 HydrophobicContact CE1-CG 4.19Å; F88-L92 HydrophobicContact CG-CD1 4.35Å; F88-L92 HydrophobicContact CZ-CD1 3.86Å; F88-L92 HydrophobicContact CZ-CG 4.38Å; F88-L92 WeakPolarHBondContact O-CB 3.17Å; F88-L92 PolarHBondContact O-N 3.4Å
89	S	63.3	Low	59	Low	31 Å²	31	97.8 Å²	97.8	22%	0.217	45%	0.451	C	S	.	.	H	α-helix	trans	-62.6	-42.5	175.5	-174.3	0	0	0	0	111.5	Y85 L86 L92 K93	Y85-S89 WeakPolarHBondContact O-CB 3.41Å; Y85-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-N 3.3Å; S89-L92 PolarHBondContact O-N 3.42Å; S89-K93 WeakPolarHBondContact O-CB 3.3Å; S89-K93 WeakPolarHBondContact O-CG 3.21Å; S89-K93 PolarHBondContact O-N 3.4Å
90	M	59.9	Low	59.6	Low	66 Å²	66	94.5 Å²	94.5	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-43.5	176.3	-70.9	-67	-76.7	0	0	111.3	L59 L86 T87 L92 K93 F94	L59-M90 HydrophobicContact CD1-CB 4.23Å; L86-M90 WeakPolarHBondContact O-CB 3.36Å; L86-M90 WeakPolarHBondContact O-CG 3.35Å; L86-M90 PolarHBondContact O-N 2.88Å; T87-M90 PolarHBondContact O-N 3.41Å; M90-L92 VanDerWaalsContact C-N 3.35Å; M90-L92 PolarHBondContact O-N 3.12Å; M90-K93 PolarHBondContact O-N 2.9Å; M90-F94 HydrophobicContact CE-CE2 4.36Å; M90-F94 WeakPolarHBondContact O-CB 3.36Å; M90-F94 VanDerWaalsContact O-CD2 3.27Å; M90-F94 WeakPolarHBondContact O-CD2 3.45Å; M90-F94 PolarHBondContact O-N 2.9Å
91	I	60.7	Low	60.1	Low	86 Å²	86	93.1 Å²	93.1	44%	0.441	44%	0.436	S	S	.	.	H	α-helix	trans	-60	-44.3	174.2	-69.3	165	0	0	0	110.9	T87 F88 F94 Y95	T87-I91 HydrophobicContact CG2-CD1 3.94Å; T87-I91 WeakPolarHBondContact O-CB 3.5Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3.11Å; F88-I91 PolarHBondContact O-N 2.89Å; I91-F94 PolarHBondContact O-N 3.48Å; I91-Y95 VanDerWaalsContact O-CB 3.29Å; I91-Y95 WeakPolarHBondContact O-CB 3.16Å; I91-Y95 PolarHBondContact O-N 3.34Å
92	L	63.6	Low	60.4	Low	88 Å²	88	89.5 Å²	89.5	46%	0.461	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.5	-86.8	162.5	0	0	0	112.3	F88 S89 M90 F94 Y95 S96	F88-L92 HydrophobicContact CD1-CD1 3.52Å; F88-L92 HydrophobicContact CD1-CG 4.46Å; F88-L92 HydrophobicContact CE1-CD1 3.24Å; F88-L92 HydrophobicContact CE1-CG 4.19Å; F88-L92 HydrophobicContact CG-CD1 4.35Å; F88-L92 HydrophobicContact CZ-CD1 3.86Å; F88-L92 HydrophobicContact CZ-CG 4.38Å; F88-L92 WeakPolarHBondContact O-CB 3.17Å; F88-L92 PolarHBondContact O-N 3.4Å; S89-L92 PolarHBondContact O-N 3.42Å; M90-L92 VanDerWaalsContact C-N 3.35Å; M90-L92 PolarHBondContact O-N 3.12Å; L92-F94 VanDerWaalsContact C-N 3.35Å; L92-Y95 PolarHBondContact O-N 2.78Å; L92-S96 WeakPolarHBondContact O-CB 3.35Å; L92-S96 PolarHBondContact O-N 2.72Å
93	K	64.2	Low	60.8	Low	138 Å²	138	88.1 Å²	88.1	60%	0.6	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-42.8	175.3	-74.7	179.3	-178.3	-176.5	0	111.2	S89 M90 S96 L97	S89-K93 WeakPolarHBondContact O-CB 3.3Å; S89-K93 WeakPolarHBondContact O-CG 3.21Å; S89-K93 PolarHBondContact O-N 3.4Å; M90-K93 PolarHBondContact O-N 2.9Å; K93-S96 PolarHBondContact O-N 3.14Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 3.19Å
94	F	61	Low	60.9	Low	68 Å²	68	90.6 Å²	90.6	30%	0.298	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-41.9	174.8	-92.6	-66.6	0	0	0	112.4	L59 M90 I91 L92 L97 S98	L59-F94 HydrophobicContact CD1-CD2 4.34Å; L59-F94 HydrophobicContact CD1-CE2 4.08Å; M90-F94 HydrophobicContact CE-CE2 4.36Å; M90-F94 WeakPolarHBondContact O-CB 3.36Å; M90-F94 VanDerWaalsContact O-CD2 3.27Å; M90-F94 WeakPolarHBondContact O-CD2 3.45Å; M90-F94 PolarHBondContact O-N 2.9Å; I91-F94 PolarHBondContact O-N 3.48Å; L92-F94 VanDerWaalsContact C-N 3.35Å; F94-L97 PolarHBondContact O-N 2.86Å; F94-S98 WeakPolarHBondContact O-CB 3.3Å; F94-S98 PolarHBondContact O-N 2.71Å; F94-S98 PolarHBondContact O-OG 3.34Å
95	Y	59.5	Low	60.9	Low	134 Å²	134	86.4 Å²	86.4	53%	0.525	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-43.7	176.8	-177.9	-108.3	0	0	0	111.3	I91 L92 S98 K99	I91-Y95 VanDerWaalsContact O-CB 3.29Å; I91-Y95 WeakPolarHBondContact O-CB 3.16Å; I91-Y95 PolarHBondContact O-N 3.34Å; L92-Y95 PolarHBondContact O-N 2.78Å; Y95-S98 WeakPolarHBondContact CA-OG 3.49Å; Y95-S98 PolarHBondContact O-N 2.86Å; Y95-S98 PolarHBondContact O-OG 2.88Å; Y95-K99 HydrophobicContact CD1-CD 4.35Å; Y95-K99 HydrophobicContact CE1-CD 3.93Å; Y95-K99 VanDerWaalsContact CE1-NZ 3.29Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 WeakPolarHBondContact OH-CE 3.29Å; Y95-K99 PolarHBondContact OH-NZ 3.23Å
96	S	63.7	Low	60.6	Low	55 Å²	55	87 Å²	87	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-45.2	172.8	178.1	0	0	0	0	111.4	L92 K93 S98 K99 H100	L92-S96 WeakPolarHBondContact O-CB 3.35Å; L92-S96 PolarHBondContact O-N 2.72Å; K93-S96 PolarHBondContact O-N 3.14Å; S96-S98 PolarHBondContact O-N 3.41Å; S96-K99 WeakPolarHBondContact O-CB 3.16Å; S96-K99 PolarHBondContact O-N 3.43Å; S96-H100 PolarHBondContact O-CD2 2.99Å; S96-H100 PolarHBondContact O-N 2.78Å
97	L	62	Low	60.4	Low	87 Å²	87	89.5 Å²	89.5	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-44.3	176.1	-174	69.3	0	0	0	111.7	K93 F94 K99 H100 I101	K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 3.19Å; F94-L97 PolarHBondContact O-N 2.86Å; L97-K99 VanDerWaalsContact C-N 3.26Å; L97-K99 PolarHBondContact O-N 2.84Å; L97-H100 PolarHBondContact O-N 2.69Å; L97-H100 VanDerWaalsContact O-N 3.12Å; L97-I101 HydrophobicContact CG-CD1 4.06Å; L97-I101 WeakPolarHBondContact O-CG1 3.19Å; L97-I101 PolarHBondContact O-N 3.32Å
98	S	60.2	Low	60.2	Low	41 Å²	41	91.2 Å²	91.2	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-34.8	177.1	71.1	0	0	0	0	112.2	F94 Y95 S96 I101 L102	F94-S98 WeakPolarHBondContact O-CB 3.3Å; F94-S98 PolarHBondContact O-N 2.71Å; F94-S98 PolarHBondContact O-OG 3.34Å; Y95-S98 WeakPolarHBondContact CA-OG 3.49Å; Y95-S98 PolarHBondContact O-N 2.86Å; Y95-S98 PolarHBondContact O-OG 2.88Å; S96-S98 PolarHBondContact O-N 3.41Å; S98-I101 PolarHBondContact O-N 3.07Å; S98-L102 VanDerWaalsContact O-CB 3.26Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 PolarHBondContact O-N 3.45Å
99	K	62.2	Low	59.6	Low	109 Å²	109	88.2 Å²	88.2	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-65.5	-42.1	173	-80.9	-177.3	167.7	178.7	0	111.7	Y95 S96 L97 L102 F103	Y95-K99 HydrophobicContact CD1-CD 4.35Å; Y95-K99 HydrophobicContact CE1-CD 3.93Å; Y95-K99 VanDerWaalsContact CE1-NZ 3.29Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 WeakPolarHBondContact OH-CE 3.29Å; Y95-K99 PolarHBondContact OH-NZ 3.23Å; S96-K99 WeakPolarHBondContact O-CB 3.16Å; S96-K99 PolarHBondContact O-N 3.43Å; L97-K99 VanDerWaalsContact C-N 3.26Å; L97-K99 PolarHBondContact O-N 2.84Å; K99-L102 PolarHBondContact O-N 3.1Å; K99-F103 VanDerWaalsContact O-CB 3.24Å; K99-F103 WeakPolarHBondContact O-CB 3.44Å; K99-F103 PolarHBondContact O-N 3.16Å
100	H	63	Low	58.7	Low	112 Å²	112	94 Å²	94	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-41.9	175.8	-70.8	-64.3	0	0	0	111.8	S96 L97 F103 L104	S96-H100 PolarHBondContact O-CD2 2.99Å; S96-H100 PolarHBondContact O-N 2.78Å; L97-H100 PolarHBondContact O-N 2.69Å; L97-H100 VanDerWaalsContact O-N 3.12Å; H100-F103 PolarHBondContact O-N 3.23Å; H100-L104 WeakPolarHBondContact O-CB 3.31Å; H100-L104 PolarHBondContact O-N 3.36Å
101	I	61.7	Low	58.1	Low	46 Å²	46	94.4 Å²	94.4	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-62.1	-46.4	174.6	-65.8	166.9	0	0	0	110.2	L97 S98 F103 L104 L105	L97-I101 HydrophobicContact CG-CD1 4.06Å; L97-I101 WeakPolarHBondContact O-CG1 3.19Å; L97-I101 PolarHBondContact O-N 3.32Å; S98-I101 PolarHBondContact O-N 3.07Å; I101-F103 VanDerWaalsContact C-N 3.34Å; I101-F103 PolarHBondContact O-N 3.47Å; I101-L104 PolarHBondContact O-N 3.23Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 PolarHBondContact O-N 3.09Å
102	L	59.3	Low	57.2	Low	106 Å²	106	97.3 Å²	97.3	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-63.2	-39.6	177.4	-170.5	73.3	0	0	0	111.7	S98 K99 L105 Y106	S98-L102 VanDerWaalsContact O-CB 3.26Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 PolarHBondContact O-N 3.45Å; K99-L102 PolarHBondContact O-N 3.1Å; L102-L105 WeakPolarHBondContact O-CB 3.39Å; L102-L105 PolarHBondContact O-N 3.48Å; L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 PolarHBondContact O-N 3.23Å
103	F	60.8	Low	56.1	Low	116 Å²	116	98 Å²	98	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175.8	-175.6	-95.5	0	0	0	111.4	K99 H100 I101 L105 Y106 Y107	K99-F103 VanDerWaalsContact O-CB 3.24Å; K99-F103 WeakPolarHBondContact O-CB 3.44Å; K99-F103 PolarHBondContact O-N 3.16Å; H100-F103 PolarHBondContact O-N 3.23Å; I101-F103 VanDerWaalsContact C-N 3.34Å; I101-F103 PolarHBondContact O-N 3.47Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.06Å; F103-Y106 PolarHBondContact O-N 3.01Å; F103-Y107 HydrophobicContact CD1-CD2 4.49Å; F103-Y107 AromaticContact CD2-CD2 3.65Å; F103-Y107 HydrophobicContact CD2-CD2 3.65Å; F103-Y107 AromaticContact CD2-CE2 3.64Å; F103-Y107 HydrophobicContact CD2-CE2 3.64Å; F103-Y107 HydrophobicContact CE1-CD2 4.38Å; F103-Y107 AromaticContact CE2-CD2 3.51Å; F103-Y107 HydrophobicContact CE2-CD2 3.51Å; F103-Y107 AromaticContact CE2-CE2 3.35Å; F103-Y107 HydrophobicContact CE2-CE2 3.35Å; F103-Y107 HydrophobicContact CE2-CG 4.44Å; F103-Y107 HydrophobicContact CG-CD2 4.15Å; F103-Y107 AromaticContact CZ-CD2 3.9Å; F103-Y107 HydrophobicContact CZ-CD2 3.9Å; F103-Y107 HydrophobicContact CZ-CE2 4.08Å; F103-Y107 HydrophobicContact CZ-CG 4.45Å; F103-Y107 WeakPolarHBondContact O-CB 3.41Å; F103-Y107 WeakPolarHBondContact O-CD2 3.49Å; F103-Y107 PolarHBondContact O-N 3.01Å
104	L	58.2	Low	55	Low	94 Å²	94	101.1 Å²	101.1	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-35.5	172.3	-89.2	150.7	0	0	0	112.4	H100 I101 I111	H100-L104 WeakPolarHBondContact O-CB 3.31Å; H100-L104 PolarHBondContact O-N 3.36Å; I101-L104 PolarHBondContact O-N 3.23Å; L104-I111 HydrophobicContact CD2-CD1 3.69Å; L104-I111 HydrophobicContact CD2-CG1 3.85Å
105	L	56.3	Low	53.8	Low	49 Å²	49	103.4 Å²	103.4	26%	0.257	51%	0.512	S	S	.	.	H	α-helix	trans	-73.3	-41.5	179	-136.8	113.3	0	0	0	112.6	F44 I101 L102 F103	F44-L105 HydrophobicContact CB-CD1 3.7Å; F44-L105 HydrophobicContact CB-CD2 4.31Å; F44-L105 HydrophobicContact CB-CG 3.88Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 PolarHBondContact O-N 3.09Å; L102-L105 WeakPolarHBondContact O-CB 3.39Å; L102-L105 PolarHBondContact O-N 3.48Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.06Å
106	Y	54.2	Low	52.6	Low	173 Å²	173	102.1 Å²	102.1	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-83.3	-20.7	-173.6	-140.5	-94.5	0	0	0	112.8	L102 F103 P108	L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 PolarHBondContact O-N 3.23Å; F103-Y106 PolarHBondContact O-N 3.01Å; Y106-P108 WeakPolarHBondContact O-CD 3.34Å
107	Y	55.8	Low	51.3	Low	128 Å²	128	104.5 Å²	104.5	50%	0.502	54%	0.536	S	S	.	.			trans	-110.2	71.8	172.5	-70.3	-86.7	0	0	0	111.4	F103 G109 F110	F103-Y107 HydrophobicContact CD1-CD2 4.49Å; F103-Y107 AromaticContact CD2-CD2 3.65Å; F103-Y107 HydrophobicContact CD2-CD2 3.65Å; F103-Y107 AromaticContact CD2-CE2 3.64Å; F103-Y107 HydrophobicContact CD2-CE2 3.64Å; F103-Y107 HydrophobicContact CE1-CD2 4.38Å; F103-Y107 AromaticContact CE2-CD2 3.51Å; F103-Y107 HydrophobicContact CE2-CD2 3.51Å; F103-Y107 AromaticContact CE2-CE2 3.35Å; F103-Y107 HydrophobicContact CE2-CE2 3.35Å; F103-Y107 HydrophobicContact CE2-CG 4.44Å; F103-Y107 HydrophobicContact CG-CD2 4.15Å; F103-Y107 AromaticContact CZ-CD2 3.9Å; F103-Y107 HydrophobicContact CZ-CD2 3.9Å; F103-Y107 HydrophobicContact CZ-CE2 4.08Å; F103-Y107 HydrophobicContact CZ-CG 4.45Å; F103-Y107 WeakPolarHBondContact O-CB 3.41Å; F103-Y107 WeakPolarHBondContact O-CD2 3.49Å; F103-Y107 PolarHBondContact O-N 3.01Å; Y107-G109 PolarHBondContact O-N 3.48Å; Y107-F110 PolarHBondContact O-N 3.35Å
108	P	53.9	Low	50	Low	73 Å²	73	104.9 Å²	104.9	47%	0.474	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-61.9	-16.7	176.7	25.6	-33.3	0	0	0	113.1	Y106 F110 I111	Y106-P108 WeakPolarHBondContact O-CD 3.34Å; P108-F110 VanDerWaalsContact C-N 3.27Å; P108-F110 PolarHBondContact O-N 3.38Å; P108-I111 PolarHBondContact O-N 2.9Å
109	G	47.6	Very low	49.1	Very low	53 Å²	53	110.8 Å²	110.8	55%	0.546	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-69.9	-12.6	177.2	0	0	0	0	0	115.7	Y107	Y107-G109 PolarHBondContact O-N 3.48Å
110	F	45.1	Very low	48	Very low	151 Å²	151	113.9 Å²	113.9	66%	0.662	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-94.3	-16.6	178.4	-119.6	-87.7	0	0	0	113.8	Y107 P108 T113	Y107-F110 PolarHBondContact O-N 3.35Å; P108-F110 VanDerWaalsContact C-N 3.27Å; P108-F110 PolarHBondContact O-N 3.38Å; F110-T113 PolarHBondContact O-OG1 3.49Å
111	I	47.7	Very low	46.8	Very low	76 Å²	76	117.6 Å²	117.6	39%	0.39	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	-29.7	175.2	-67.4	164.3	0	0	0	110.8	L104 P108 T113 Y114	L104-I111 HydrophobicContact CD2-CD1 3.69Å; L104-I111 HydrophobicContact CD2-CG1 3.85Å; P108-I111 PolarHBondContact O-N 2.9Å; I111-T113 PolarHBondContact O-N 3.44Å; I111-Y114 PolarHBondContact O-N 3.47Å
112	L	40.3	Very low	45.7	Very low	146 Å²	146	122 Å²	122	76%	0.764	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-16.2	177.9	-149.3	80.4	0	0	0	113.5
113	T	42.2	Very low	44.5	Very low	103 Å²	103	120.6 Å²	120.6	63%	0.632	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-8.5	179.7	42.8	0	0	0	0	114.5	F110 I111	F110-T113 PolarHBondContact O-OG1 3.49Å; I111-T113 PolarHBondContact O-N 3.44Å
114	Y	40	Very low	43.4	Very low	204 Å²	204	122.9 Å²	122.9	80%	0.8	65%	0.647	S	S	*	*	S	Bend	trans	-110.5	-1	176.3	-92.3	-88.2	0	0	0	114.3	I111	I111-Y114 PolarHBondContact O-N 3.47Å
115	L	36	Very low	42.5	Very low	115 Å²	115	128.2 Å²	128.2	60%	0.602	67%	0.666	S	S	*	*	S	Bend	trans	-99.2	109.9	165.7	-116.9	80	0	0	0	108.5	S117	L115-S117 PolarHBondContact O-N 3.03Å
116	P	35	Very low	41.7	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	69%	0.692	S	S	*	*			trans	-63.7	110.7	166.5	27.7	-29.8	0	0	0	107.2	C118	P116-C118 PolarHBondContact O-N 3.22Å
117	S	35.2	Very low	41	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	69%	0.691	S	S	*	*			trans	47.7	55.5	139.9	-33.2	0	0	0	0	115.6	L115 D119	L115-S117 PolarHBondContact O-N 3.03Å; S117-D119 PolarHBondContact O-N 2.98Å
118	C	36.1	Very low	40.2	Very low	95 Å²	95	133.9 Å²	133.9	64%	0.642	71%	0.705	S	S	*	*			trans	-89.3	37.6	164.7	-78.8	0	0	0	0	111.9	P116 H120	P116-C118 PolarHBondContact O-N 3.22Å; C118-H120 PolarHBondContact O-N 3.32Å
119	D	40.1	Very low	39.4	Very low	165 Å²	165	138 Å²	138	88%	0.882	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	8.3	169.9	-77.5	-32.6	0	0	0	113	S117	S117-D119 PolarHBondContact O-N 2.98Å
120	H	40	Very low	38.9	Very low	174 Å²	174	144 Å²	144	81%	0.806	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	0.5	-177.4	-116.6	-66.3	0	0	0	115.8	C118	C118-H120 PolarHBondContact O-N 3.32Å
121	F	37	Very low	38.6	Very low	191 Å²	191	143.5 Å²	143.5	84%	0.838	74%	0.743	S	S	*	*	S	Bend	trans	-113	-3.7	-170	-129.7	-95.4	0	0	0	116.4
122	V	40.1	Very low	38.6	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	76%	0.758	S	S	*	*	S	Bend	trans	-102.4	-9	-173.1	177	0	0	0	0	115.1
123	S	34.1	Very low	39.2	Very low	77 Å²	77	150 Å²	150	54%	0.538	78%	0.776	S	S	.	*	S	Bend	trans	-137.2	21	-178.4	-160.8	0	0	0	0	116.8	K125	S123-K125 PolarHBondContact O-N 3.41Å; S123-K125 VanDerWaalsContact O-N 3.09Å
124	M	37.3	Very low	39.1	Very low	165 Å²	165	152.4 Å²	152.4	81%	0.813	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	5.9	160.4	-114.5	-165.3	-175.8	0	0	113
125	K	39.9	Very low	39	Very low	205 Å²	205	149.6 Å²	149.6	89%	0.891	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	10.1	-177.3	-115.3	-178.7	179.5	-179.3	0	114.7	S123	S123-K125 PolarHBondContact O-N 3.41Å; S123-K125 VanDerWaalsContact O-N 3.09Å
126	Q	39.4	Very low	39.2	Very low	175 Å²	175	151.6 Å²	151.6	82%	0.818	79%	0.792	S	S	*	*	S	Bend	trans	-131.8	9.1	-174.5	-118.2	175.7	-0	0	0	117
127	S	38.5	Very low	39.4	Very low	92 Å²	92	154.2 Å²	154.2	64%	0.643	80%	0.798	S	S	*	*	S	Bend	trans	-120.4	12.6	-174.8	49.5	0	0	0	0	116.3
128	Y	39	Very low	39.7	Very low	203 Å²	203	157.3 Å²	157.3	80%	0.796	80%	0.802	S	S	*	*			trans	-115.8	79.5	172.4	-74.1	-84.5	0	0	0	110.7
129	N	37.7	Very low	39.9	Very low	159 Å²	159	161.4 Å²	161.4	85%	0.85	81%	0.813	S	S	*	*	S	Bend	trans	-175.9	136.9	151.4	-94.4	-24.3	0	0	0	109.6
130	F	36.7	Very low	39.9	Very low	180 Å²	180	161.1 Å²	161.1	79%	0.789	81%	0.808	S	S	*	*			trans	91.3	77.3	-174.5	-71	-88.4	0	0	0	117	I132	F130-I132 HydrophobicContact CD1-CD1 3.75Å; F130-I132 HydrophobicContact CD1-CG1 3.96Å; F130-I132 HydrophobicContact CE1-CD1 3.81Å; F130-I132 HydrophobicContact CE1-CG1 4.3Å
131	T	39.5	Very low	39.9	Very low	139 Å²	139	160.2 Å²	160.2	85%	0.853	81%	0.808	S	S	*	*			trans	-116.3	101.9	138.3	-46.5	0	0	0	0	106.2
132	I	46.5	Very low	40.1	Very low	136 Å²	136	157.6 Å²	157.6	70%	0.697	81%	0.805	S	S	*	*			trans	-80.4	121.3	164.1	-69.7	166.5	0	0	0	105.5	F130	F130-I132 HydrophobicContact CD1-CD1 3.75Å; F130-I132 HydrophobicContact CD1-CG1 3.96Å; F130-I132 HydrophobicContact CE1-CD1 3.81Å; F130-I132 HydrophobicContact CE1-CG1 4.3Å
133	I	53.2	Low	40.2	Very low	223 Å²	223	159.5 Å²	159.5	100%	1.144	80%	0.803	S	S	*	*			trans	-76.8	0	155.7	-62.4	171.5	0	0	0	107.2

Retrieved 133 of 133 residues in 126.1 ms (Link to these results)

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