A0A077ZIG2_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 A0A077ZIG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 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	38.8	Very low	37.7	Very low	239 Å²	239	110.8 Å²	110.8	100%	1.177	59%	0.587	S	S	*	*				0	16.7	0	-140.7	169.2	84.9	0	0	114
2	F	34.3	Very low	37.8	Very low	204 Å²	204	120.2 Å²	120.2	90%	0.895	61%	0.608	S	S	*	*			trans	-116.1	3.1	-176.7	-96.7	-87.6	0	0	0	115.2
3	G	34.5	Very low	37.9	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	63%	0.628	S	S	*	*	S	Bend	trans	-95.7	-1.5	-174	0	0	0	0	0	116.7	P6	G3-P6 WeakPolarHBondContact O-CD 3.31Å
4	M	41.1	Very low	38.3	Very low	104 Å²	104	122.1 Å²	122.1	51%	0.512	60%	0.597	S	S	.	*	S	Bend	trans	-107.2	-12.3	-167	-67.9	-76.6	-89.5	0	0	114.5	L7 F8	M4-L7 PolarHBondContact O-N 3.37Å; M4-F8 PolarHBondContact O-N 3.23Å
5	L	32.4	Very low	38.5	Very low	131 Å²	131	118.9 Å²	118.9	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-59.7	-39	172.8	-153	83.9	0	0	0	113.2	L7 F8 L9	L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.18Å; L5-F8 PolarHBondContact O-N 3.27Å; L5-L9 HydrophobicContact CG-CD1 4.47Å; L5-L9 WeakPolarHBondContact O-CG 2.93Å; L5-L9 PolarHBondContact O-N 3.41Å
6	P	36.2	Very low	39.1	Very low	81 Å²	81	115.8 Å²	115.8	53%	0.526	60%	0.597	S	S	.	*	H	α-helix	trans	-62.9	-37.1	177.1	-19	30.9	0	0	0	112	G3 L9 T10	G3-P6 WeakPolarHBondContact O-CD 3.31Å; P6-L9 PolarHBondContact O-N 3.37Å; P6-T10 PolarHBondContact O-N 3.29Å; P6-T10 PolarHBondContact O-OG1 3.37Å
7	L	38.3	Very low	39.6	Very low	51 Å²	51	114 Å²	114	27%	0.267	59%	0.588	S	S	.	*	H	α-helix	trans	-67.7	-43	-178.9	-159.8	104.4	0	0	0	111.2	M4 L5 L9 T10 I11 L137	M4-L7 PolarHBondContact O-N 3.37Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.18Å; L7-L9 VanDerWaalsContact C-N 3.27Å; L7-L9 PolarHBondContact O-N 3.2Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.35Å; L7-T10 PolarHBondContact O-N 3.15Å; L7-T10 PolarHBondContact O-OG1 2.99Å; L7-I11 HydrophobicContact CD2-CD1 3.89Å; L7-I11 HydrophobicContact CG-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CD1 2.98Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.28Å; L7-L137 HydrophobicContact CD2-CD1 4.29Å
8	F	37.1	Very low	40	Very low	154 Å²	154	118.2 Å²	118.2	68%	0.675	60%	0.595	S	S	*	*	H	α-helix	trans	-66	-33.5	178.1	-139.3	-90.6	0	0	0	112.1	M4 L5 R12	M4-F8 PolarHBondContact O-N 3.23Å; L5-F8 PolarHBondContact O-N 3.27Å; F8-R12 PolarHBondContact O-N 3.29Å
9	L	38.5	Very low	40.3	Very low	105 Å²	105	115.2 Å²	115.2	55%	0.55	58%	0.581	S	S	.	*	H	α-helix	trans	-74.4	-37.4	176.2	-71.7	170.1	0	0	0	112.8	L5 P6 L7 R13	L5-L9 HydrophobicContact CG-CD1 4.47Å; L5-L9 WeakPolarHBondContact O-CG 2.93Å; L5-L9 PolarHBondContact O-N 3.41Å; P6-L9 PolarHBondContact O-N 3.37Å; L7-L9 VanDerWaalsContact C-N 3.27Å; L7-L9 PolarHBondContact O-N 3.2Å; L9-R13 PolarHBondContact O-N 3.48Å
10	T	41	Very low	40.6	Very low	74 Å²	74	109.7 Å²	109.7	45%	0.454	55%	0.553	S	S	.	*	H	α-helix	trans	-67.2	-40.9	174.6	36.4	0	0	0	0	111.4	P6 L7 R12 R13 L14	P6-T10 PolarHBondContact O-N 3.29Å; P6-T10 PolarHBondContact O-OG1 3.37Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.35Å; L7-T10 PolarHBondContact O-N 3.15Å; L7-T10 PolarHBondContact O-OG1 2.99Å; T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 PolarHBondContact O-N 2.63Å; T10-R13 PolarHBondContact O-N 3.39Å; T10-L14 WeakPolarHBondContact O-CG 3.39Å; T10-L14 PolarHBondContact O-N 3.24Å
11	I	42.4	Very low	41	Very low	13 Å²	13	107.2 Å²	107.2	7%	0.067	54%	0.54	C	S	.	.	H	α-helix	trans	-71.7	-27.2	179.8	-39.5	150.7	0	0	0	112.6	L7 R13 L14 L23 F130	L7-I11 HydrophobicContact CD2-CD1 3.89Å; L7-I11 HydrophobicContact CG-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CD1 2.98Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.28Å; I11-R13 PolarHBondContact O-N 3.07Å; I11-L14 HydrophobicContact CG2-CD1 4.36Å; I11-L14 PolarHBondContact O-N 3.22Å; I11-L23 HydrophobicContact CG1-CD2 3.96Å; I11-F130 HydrophobicContact CB-CE1 3.49Å; I11-F130 VanDerWaalsContact CB-CE1 3.49Å; I11-F130 HydrophobicContact CB-CZ 3.59Å; I11-F130 HydrophobicContact CD1-CD1 4.33Å; I11-F130 HydrophobicContact CD1-CE1 3.8Å; I11-F130 HydrophobicContact CG1-CE1 4.2Å; I11-F130 HydrophobicContact CG2-CD1 3.99Å; I11-F130 HydrophobicContact CG2-CE1 3.12Å; I11-F130 HydrophobicContact CG2-CE2 3.74Å; I11-F130 HydrophobicContact CG2-CZ 2.98Å
12	R	39.1	Very low	41.5	Very low	223 Å²	223	100 Å²	100	84%	0.842	51%	0.507	S	S	*	.	H	α-helix	trans	-67	-24.5	170	-166.6	177.1	-177.6	-175.3	1.8	113.2	F8 T10	F8-R12 PolarHBondContact O-N 3.29Å; T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 PolarHBondContact O-N 2.63Å
13	R	38.9	Very low	42.3	Very low	230 Å²	230	92 Å²	92	87%	0.868	47%	0.473	S	S	*	.	H	α-helix	trans	-91.5	-12.5	179.6	-110.2	-176	174.9	179.8	-1.4	114	L9 T10 I11 G15	L9-R13 PolarHBondContact O-N 3.48Å; T10-R13 PolarHBondContact O-N 3.39Å; I11-R13 PolarHBondContact O-N 3.07Å; R13-G15 VanDerWaalsContact C-N 3.31Å; R13-G15 PolarHBondContact O-N 3.47Å
14	L	43.6	Very low	43.1	Very low	37 Å²	37	90.6 Å²	90.6	19%	0.194	45%	0.452	C	S	.	.			trans	-79.9	79.9	179.3	-74.3	163	0	0	0	109.5	T10 I11 T16 D19 M20 L23	T10-L14 WeakPolarHBondContact O-CG 3.39Å; T10-L14 PolarHBondContact O-N 3.24Å; I11-L14 HydrophobicContact CG2-CD1 4.36Å; I11-L14 PolarHBondContact O-N 3.22Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-D19 HydrophobicContact CD2-CB 3.15Å; L14-D19 HydrophobicContact CG-CB 4.42Å; L14-M20 HydrophobicContact CB-CG 4.18Å; L14-L23 HydrophobicContact CD1-CB 4.25Å; L14-L23 HydrophobicContact CD1-CD1 4.41Å; L14-L23 HydrophobicContact CD1-CD2 3.6Å; L14-L23 HydrophobicContact CD1-CG 4.28Å
15	G	41.2	Very low	43.6	Very low	74 Å²	74	90.2 Å²	90.2	76%	0.763	45%	0.449	S	S	*	.			trans	-80	-7.4	-175.6	0	0	0	0	0	115	R13	R13-G15 VanDerWaalsContact C-N 3.31Å; R13-G15 PolarHBondContact O-N 3.47Å
16	T	48.3	Very low	44.5	Very low	70 Å²	70	87.5 Å²	87.5	43%	0.429	44%	0.44	S	S	.	.	S	Bend	trans	-119.5	143.1	-178.8	84.9	0	0	0	0	112.3	L14 R18 D19 M20	L14-T16 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3.42Å; T16-D19 PolarHBondContact O-N 3.07Å; T16-D19 PolarHBondContact OG1-N 3.38Å; T16-D19 PolarHBondContact OG1-OD1 3.42Å; T16-D19 PolarHBondContact OG1-OD2 3.23Å; T16-M20 PolarHBondContact O-N 3.19Å
17	I	47	Very low	45.2	Very low	85 Å²	85	84.9 Å²	84.9	44%	0.436	42%	0.422	S	S	.	.	H	α-helix	trans	-54.2	-37.3	177.5	-65.1	168.7	0	0	0	111	D19 M20 I21 E125	I17-D19 VanDerWaalsContact C-N 3.35Å; I17-D19 PolarHBondContact O-N 3.36Å; I17-M20 PolarHBondContact O-N 3.03Å; I17-I21 HydrophobicContact CG2-CD1 3.92Å; I17-I21 WeakPolarHBondContact O-CG1 3.2Å; I17-I21 PolarHBondContact O-N 3.42Å; I17-E125 WeakPolarHBondContact CD1-OE2 3.01Å
18	R	46.9	Very low	45.8	Very low	190 Å²	190	83.7 Å²	83.7	72%	0.717	42%	0.418	S	S	*	.	H	α-helix	trans	-62.2	-42.3	178.8	-174.3	173.5	-67.2	-175.6	0	111.8	T16 M20 I21 N22	T16-R18 PolarHBondContact O-N 3.42Å; R18-M20 VanDerWaalsContact C-N 3.34Å; R18-I21 PolarHBondContact O-N 3.19Å; R18-N22 PolarHBondContact O-N 2.8Å
19	D	46.3	Very low	46.5	Very low	61 Å²	61	83.2 Å²	83.2	33%	0.326	41%	0.412	S	S	.	.	H	α-helix	trans	-73	-31.5	-178	-49.6	-40.5	0	0	0	111.7	L14 T16 I17 L23	L14-D19 HydrophobicContact CD2-CB 3.15Å; L14-D19 HydrophobicContact CG-CB 4.42Å; T16-D19 PolarHBondContact O-N 3.07Å; T16-D19 PolarHBondContact OG1-N 3.38Å; T16-D19 PolarHBondContact OG1-OD1 3.42Å; T16-D19 PolarHBondContact OG1-OD2 3.23Å; I17-D19 VanDerWaalsContact C-N 3.35Å; I17-D19 PolarHBondContact O-N 3.36Å; D19-L23 WeakPolarHBondContact O-CB 3.15Å; D19-L23 PolarHBondContact O-N 3.37Å
20	M	45.4	Very low	46.9	Very low	5 Å²	5	80.9 Å²	80.9	3%	0.025	40%	0.403	C	S	.	.	H	α-helix	trans	-69.6	-35.5	173.1	-68.6	-162.9	-72	0	0	112.9	L14 T16 I17 R18 L23 T24 N126 I129	L14-M20 HydrophobicContact CB-CG 4.18Å; T16-M20 PolarHBondContact O-N 3.19Å; I17-M20 PolarHBondContact O-N 3.03Å; R18-M20 VanDerWaalsContact C-N 3.34Å; M20-L23 PolarHBondContact O-N 3.22Å; M20-T24 PolarHBondContact O-N 3.36Å; M20-T24 PolarHBondContact O-OG1 2.92Å; M20-N126 HydrophobicContact CE-CB 4.2Å; M20-N126 WeakPolarHBondContact CE-OD1 3.39Å; M20-N126 HydrophobicContact SD-CB 4.46Å; M20-I129 HydrophobicContact CB-CG2 4.22Å; M20-I129 HydrophobicContact CE-CD1 4.06Å; M20-I129 HydrophobicContact SD-CG2 4.37Å
21	I	50.8	Low	47.4	Very low	57 Å²	57	78.3 Å²	78.3	29%	0.292	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-49.2	173	-68.5	166.6	0	0	0	109.8	I17 R18 L23 T24 E25	I17-I21 HydrophobicContact CG2-CD1 3.92Å; I17-I21 WeakPolarHBondContact O-CG1 3.2Å; I17-I21 PolarHBondContact O-N 3.42Å; R18-I21 PolarHBondContact O-N 3.19Å; I21-L23 PolarHBondContact O-N 3.37Å; I21-T24 WeakPolarHBondContact O-CB 3.39Å; I21-T24 PolarHBondContact O-N 3.03Å; I21-E25 HydrophobicContact CG2-CG 4.47Å; I21-E25 WeakPolarHBondContact O-CG 3.18Å; I21-E25 PolarHBondContact O-N 2.9Å
22	N	48.2	Very low	47.8	Very low	87 Å²	87	79.7 Å²	79.7	47%	0.465	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-38	176.8	-74.4	-8.4	0	0	0	111.8	R18 C26	R18-N22 PolarHBondContact O-N 2.8Å; N22-C26 WeakPolarHBondContact O-CB 3.46Å; N22-C26 PolarHBondContact O-N 2.74Å
23	L	51.2	Low	48.5	Very low	38 Å²	38	74 Å²	74	20%	0.199	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-42.2	174.1	-171.5	76.1	0	0	0	111.4	I11 L14 D19 M20 I21 C26 L27	I11-L23 HydrophobicContact CG1-CD2 3.96Å; L14-L23 HydrophobicContact CD1-CB 4.25Å; L14-L23 HydrophobicContact CD1-CD1 4.41Å; L14-L23 HydrophobicContact CD1-CD2 3.6Å; L14-L23 HydrophobicContact CD1-CG 4.28Å; D19-L23 WeakPolarHBondContact O-CB 3.15Å; D19-L23 PolarHBondContact O-N 3.37Å; M20-L23 PolarHBondContact O-N 3.22Å; I21-L23 PolarHBondContact O-N 3.37Å; L23-C26 PolarHBondContact O-N 2.92Å; L23-L27 HydrophobicContact CD1-CD1 4.49Å; L23-L27 HydrophobicContact CD1-CG 4.49Å; L23-L27 HydrophobicContact CD2-CD1 4.1Å; L23-L27 HydrophobicContact CG-CD1 3.84Å; L23-L27 HydrophobicContact CG-CG 4.21Å; L23-L27 VanDerWaalsContact O-CB 3.29Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.45Å
24	T	51.6	Low	48.9	Very low	32 Å²	32	68.7 Å²	68.7	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-43.1	178.6	-54.4	0	0	0	0	111.2	M20 I21 L27 S28 I133	M20-T24 PolarHBondContact O-N 3.36Å; M20-T24 PolarHBondContact O-OG1 2.92Å; I21-T24 WeakPolarHBondContact O-CB 3.39Å; I21-T24 PolarHBondContact O-N 3.03Å; T24-L27 PolarHBondContact O-N 3.02Å; T24-S28 WeakPolarHBondContact O-CB 3.23Å; T24-S28 PolarHBondContact O-N 3.35Å; T24-S28 PolarHBondContact O-OG 2.99Å; T24-I133 HydrophobicContact CG2-CG1 4.33Å; T24-I133 WeakPolarHBondContact OG1-CD1 3.47Å
25	E	51.5	Low	49.2	Very low	97 Å²	97	67.5 Å²	67.5	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-48	173.2	-70.7	-178.5	-179.5	0	0	110.8	I21 L27 S28 Y29	I21-E25 HydrophobicContact CG2-CG 4.47Å; I21-E25 WeakPolarHBondContact O-CG 3.18Å; I21-E25 PolarHBondContact O-N 2.9Å; E25-L27 VanDerWaalsContact C-N 3.28Å; E25-L27 PolarHBondContact O-N 3.38Å; E25-S28 PolarHBondContact O-N 2.95Å; E25-S28 PolarHBondContact O-OG 3.37Å; E25-Y29 HydrophobicContact CB-CD2 4.39Å; E25-Y29 HydrophobicContact CB-CE2 4.19Å; E25-Y29 WeakPolarHBondContact O-CB 3.38Å; E25-Y29 WeakPolarHBondContact O-CD2 3.32Å; E25-Y29 PolarHBondContact O-N 3.28Å
26	C	50.2	Low	49.7	Very low	74 Å²	74	70.3 Å²	70.3	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-39.5	178.6	-159.3	0	0	0	0	111.7	N22 L23 T30	N22-C26 WeakPolarHBondContact O-CB 3.46Å; N22-C26 PolarHBondContact O-N 2.74Å; L23-C26 PolarHBondContact O-N 2.92Å; C26-T30 VanDerWaalsContact O-CG2 3.29Å; C26-T30 WeakPolarHBondContact O-CG2 3.4Å; C26-T30 PolarHBondContact O-N 3.43Å; C26-T30 PolarHBondContact O-OG1 3.29Å
27	L	51.4	Low	49.7	Very low	26 Å²	26	71.3 Å²	71.3	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-41.9	176.8	-70.6	172.5	0	0	0	111.6	L23 T24 E25 Y29 T30 T31 I133 L137	L23-L27 HydrophobicContact CD1-CD1 4.49Å; L23-L27 HydrophobicContact CD1-CG 4.49Å; L23-L27 HydrophobicContact CD2-CD1 4.1Å; L23-L27 HydrophobicContact CG-CD1 3.84Å; L23-L27 HydrophobicContact CG-CG 4.21Å; L23-L27 VanDerWaalsContact O-CB 3.29Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.45Å; T24-L27 PolarHBondContact O-N 3.02Å; E25-L27 VanDerWaalsContact C-N 3.28Å; E25-L27 PolarHBondContact O-N 3.38Å; L27-Y29 VanDerWaalsContact C-N 3.32Å; L27-Y29 PolarHBondContact O-N 3.4Å; L27-T30 WeakPolarHBondContact CA-OG1 3.37Å; L27-T30 PolarHBondContact O-N 3.2Å; L27-T30 PolarHBondContact O-OG1 3.3Å; L27-T31 WeakPolarHBondContact O-CG2 3.15Å; L27-T31 PolarHBondContact O-N 3.36Å; L27-T31 PolarHBondContact O-OG1 3.04Å; L27-I133 HydrophobicContact CD1-CG2 3.51Å; L27-L137 HydrophobicContact CD1-CD1 4.02Å; L27-L137 HydrophobicContact CD2-CD1 4.36Å; L27-L137 HydrophobicContact CD2-CD2 4.26Å
28	S	50.8	Low	49.7	Very low	26 Å²	26	68.3 Å²	68.3	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-44.2	174.9	73.4	0	0	0	0	110.5	T24 E25 T30 T31 I32	T24-S28 WeakPolarHBondContact O-CB 3.23Å; T24-S28 PolarHBondContact O-N 3.35Å; T24-S28 PolarHBondContact O-OG 2.99Å; E25-S28 PolarHBondContact O-N 2.95Å; E25-S28 PolarHBondContact O-OG 3.37Å; S28-T30 PolarHBondContact O-N 2.85Å; S28-T31 WeakPolarHBondContact CA-OG1 3.37Å; S28-T31 PolarHBondContact O-N 2.77Å; S28-T31 PolarHBondContact O-OG1 2.92Å; S28-I32 WeakPolarHBondContact O-CB 3.43Å; S28-I32 VanDerWaalsContact O-CG1 3.23Å; S28-I32 WeakPolarHBondContact O-CG1 3.23Å; S28-I32 PolarHBondContact O-N 2.92Å
29	Y	51.7	Low	49.8	Very low	143 Å²	143	65 Å²	65	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-60.7	-44.7	173.2	-73.3	-60.2	0	0	0	112.5	E25 L27 T31 I32 I33	E25-Y29 HydrophobicContact CB-CD2 4.39Å; E25-Y29 HydrophobicContact CB-CE2 4.19Å; E25-Y29 WeakPolarHBondContact O-CB 3.38Å; E25-Y29 WeakPolarHBondContact O-CD2 3.32Å; E25-Y29 PolarHBondContact O-N 3.28Å; L27-Y29 VanDerWaalsContact C-N 3.32Å; L27-Y29 PolarHBondContact O-N 3.4Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.37Å; Y29-I32 PolarHBondContact O-N 3.38Å; Y29-I33 WeakPolarHBondContact O-CB 3.49Å; Y29-I33 VanDerWaalsContact O-CG1 3.22Å; Y29-I33 WeakPolarHBondContact O-CG1 3.3Å; Y29-I33 PolarHBondContact O-N 2.65Å
30	T	48.1	Very low	49.9	Very low	57 Å²	57	63.4 Å²	63.4	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-38.4	176.3	58.3	0	0	0	0	112.4	C26 L27 S28 I33 L34	C26-T30 VanDerWaalsContact O-CG2 3.29Å; C26-T30 WeakPolarHBondContact O-CG2 3.4Å; C26-T30 PolarHBondContact O-N 3.43Å; C26-T30 PolarHBondContact O-OG1 3.29Å; L27-T30 WeakPolarHBondContact CA-OG1 3.37Å; L27-T30 PolarHBondContact O-N 3.2Å; L27-T30 PolarHBondContact O-OG1 3.3Å; S28-T30 PolarHBondContact O-N 2.85Å; T30-I33 PolarHBondContact O-N 2.77Å; T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 WeakPolarHBondContact O-CG 3.47Å; T30-L34 PolarHBondContact O-N 2.81Å
31	T	50.2	Low	50.2	Low	19 Å²	19	67.3 Å²	67.3	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-37.5	176.2	55.6	0	0	0	0	112.1	L27 S28 Y29 T35 L137	L27-T31 WeakPolarHBondContact O-CG2 3.15Å; L27-T31 PolarHBondContact O-N 3.36Å; L27-T31 PolarHBondContact O-OG1 3.04Å; S28-T31 WeakPolarHBondContact CA-OG1 3.37Å; S28-T31 PolarHBondContact O-N 2.77Å; S28-T31 PolarHBondContact O-OG1 2.92Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.37Å; T31-T35 VanDerWaalsContact O-CB 3.32Å; T31-T35 WeakPolarHBondContact O-CB 3.14Å; T31-T35 PolarHBondContact O-N 2.86Å; T31-T35 PolarHBondContact O-OG1 3.41Å; T31-L137 HydrophobicContact CG2-CD2 4.33Å
32	I	51.9	Low	50.6	Low	42 Å²	42	70.3 Å²	70.3	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-48.3	174.1	-68.8	164.5	0	0	0	109.8	S28 Y29 L34 T35 F36	S28-I32 WeakPolarHBondContact O-CB 3.43Å; S28-I32 VanDerWaalsContact O-CG1 3.23Å; S28-I32 WeakPolarHBondContact O-CG1 3.23Å; S28-I32 PolarHBondContact O-N 2.92Å; Y29-I32 PolarHBondContact O-N 3.38Å; I32-L34 PolarHBondContact O-N 3.07Å; I32-T35 CarbonylContact O-C 3.43Å; I32-T35 WeakPolarHBondContact O-CB 3.35Å; I32-T35 PolarHBondContact O-N 3.25Å; I32-T35 VanDerWaalsContact O-N 3.11Å; I32-F36 HydrophobicContact CG2-CD2 3.7Å; I32-F36 HydrophobicContact CG2-CE2 3.82Å; I32-F36 WeakPolarHBondContact O-CD2 3.17Å; I32-F36 PolarHBondContact O-N 2.83Å
33	I	53.7	Low	50.8	Low	105 Å²	105	75.2 Å²	75.2	54%	0.538	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-44	178.4	-68.4	165.5	0	0	0	111.4	Y29 T30 T35 F36 S37	Y29-I33 WeakPolarHBondContact O-CB 3.49Å; Y29-I33 VanDerWaalsContact O-CG1 3.22Å; Y29-I33 WeakPolarHBondContact O-CG1 3.3Å; Y29-I33 PolarHBondContact O-N 2.65Å; T30-I33 PolarHBondContact O-N 2.77Å; I33-T35 VanDerWaalsContact C-N 3.31Å; I33-T35 PolarHBondContact O-N 3.31Å; I33-F36 PolarHBondContact O-N 3.42Å; I33-S37 WeakPolarHBondContact O-CB 3.18Å; I33-S37 PolarHBondContact O-N 2.68Å; I33-S37 PolarHBondContact O-OG 3.18Å
34	L	47.6	Very low	50.8	Low	117 Å²	117	74.7 Å²	74.7	61%	0.613	40%	0.401	S	S	*	.	H	α-helix	trans	-63.9	-36.6	175.2	-79.9	165.1	0	0	0	112	T30 I32 S37 C38	T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 WeakPolarHBondContact O-CG 3.47Å; T30-L34 PolarHBondContact O-N 2.81Å; I32-L34 PolarHBondContact O-N 3.07Å; L34-S37 PolarHBondContact O-N 3.48Å; L34-C38 PolarHBondContact O-N 2.76Å
35	T	49.3	Very low	50.8	Low	13 Å²	13	75 Å²	75	8%	0.08	40%	0.4	C	S	.	.	H	α-helix	trans	-69.2	-38.7	176.1	-55.6	0	0	0	0	111.7	T31 I32 I33 C38 K45 I48 I49	T31-T35 VanDerWaalsContact O-CB 3.32Å; T31-T35 WeakPolarHBondContact O-CB 3.14Å; T31-T35 PolarHBondContact O-N 2.86Å; T31-T35 PolarHBondContact O-OG1 3.41Å; I32-T35 CarbonylContact O-C 3.43Å; I32-T35 WeakPolarHBondContact O-CB 3.35Å; I32-T35 PolarHBondContact O-N 3.25Å; I32-T35 VanDerWaalsContact O-N 3.11Å; I33-T35 VanDerWaalsContact C-N 3.31Å; I33-T35 PolarHBondContact O-N 3.31Å; T35-C38 PolarHBondContact O-N 3.29Å; T35-K45 HydrophobicContact CG2-CB 4.46Å; T35-I48 HydrophobicContact CG2-CB 4.02Å; T35-I48 HydrophobicContact CG2-CD1 4.1Å; T35-I48 HydrophobicContact CG2-CG2 3.89Å; T35-I49 HydrophobicContact CG2-CD1 4.35Å; T35-I49 HydrophobicContact CG2-CG1 3.96Å
36	F	51.8	Low	50.9	Low	132 Å²	132	74.3 Å²	74.3	58%	0.579	40%	0.399	S	S	*	.	H	α-helix	trans	-68.1	-34.1	174.6	-93.6	-84.1	0	0	0	112.7	I32 I33 C38 I49	I32-F36 HydrophobicContact CG2-CD2 3.7Å; I32-F36 HydrophobicContact CG2-CE2 3.82Å; I32-F36 WeakPolarHBondContact O-CD2 3.17Å; I32-F36 PolarHBondContact O-N 2.83Å; I33-F36 PolarHBondContact O-N 3.42Å; F36-C38 PolarHBondContact O-N 3.35Å; F36-I49 HydrophobicContact CD2-CD1 4.22Å; F36-I49 HydrophobicContact CE2-CD1 3.69Å; F36-I49 HydrophobicContact CZ-CD1 4.12Å
37	S	48	Very low	51.1	Low	91 Å²	91	75.6 Å²	75.6	64%	0.636	40%	0.4	S	S	*	.	H	α-helix	trans	-72.8	-15	179.2	-57.5	0	0	0	0	113.5	I33 L34	I33-S37 WeakPolarHBondContact O-CB 3.18Å; I33-S37 PolarHBondContact O-N 2.68Å; I33-S37 PolarHBondContact O-OG 3.18Å; L34-S37 PolarHBondContact O-N 3.48Å
38	C	47.6	Very low	51.3	Low	23 Å²	23	75 Å²	75	16%	0.155	40%	0.397	C	S	.	.			trans	-75.4	126.2	175.6	-162.6	0	0	0	0	110.3	L34 T35 F36 T40 K45 F144	L34-C38 PolarHBondContact O-N 2.76Å; T35-C38 PolarHBondContact O-N 3.29Å; F36-C38 PolarHBondContact O-N 3.35Å; C38-T40 PolarHBondContact O-N 2.79Å; C38-T40 VanDerWaalsContact O-N 3.13Å; C38-T40 PolarHBondContact SG-OG1 2.96Å; C38-K45 WeakPolarHBondContact O-CE 3.32Å; C38-K45 PolarHBondContact O-NZ 2.95Å; C38-F144 HydrophobicContact CB-CE2 3.74Å; C38-F144 WeakPolarHBondContact SG-CE2 3.18Å
39	S	47.8	Very low	51.5	Low	119 Å²	119	74.9 Å²	74.9	83%	0.832	39%	0.394	S	S	*	.			trans	-82.8	20.4	-172.6	-168.7	0	0	0	0	115.1
40	T	49.8	Very low	51.8	Low	28 Å²	28	74.5 Å²	74.5	17%	0.172	40%	0.396	C	S	.	.	S	Bend	trans	-121.8	128.4	-164.5	55.7	0	0	0	0	112.9	C38 K45 Y147 L151	C38-T40 PolarHBondContact O-N 2.79Å; C38-T40 VanDerWaalsContact O-N 3.13Å; C38-T40 PolarHBondContact SG-OG1 2.96Å; T40-K45 WeakPolarHBondContact O-CE 3.23Å; T40-Y147 VanDerWaalsContact CB-CE1 3.42Å; T40-Y147 HydrophobicContact CG2-CE1 3.95Å; T40-Y147 WeakPolarHBondContact OG1-CE1 3.29Å; T40-L151 HydrophobicContact CG2-CD1 3.7Å; T40-L151 HydrophobicContact CG2-CD2 4.26Å
41	C	52.2	Low	52.3	Low	87 Å²	87	73.2 Å²	73.2	59%	0.588	39%	0.391	S	S	*	.			trans	33.4	111.7	174.5	-90.3	0	0	0	0	118.2	Y43 L44 K45	C41-Y43 VanDerWaalsContact C-N 3.25Å; C41-Y43 PolarHBondContact O-N 3.28Å; C41-Y43 VanDerWaalsContact O-N 3.12Å; C41-L44 HydrophobicContact CB-CB 4.41Å; C41-L44 PolarHBondContact O-N 2.84Å; C41-K45 PolarHBondContact O-N 3.01Å
42	D	57.9	Low	52.6	Low	120 Å²	120	72.8 Å²	72.8	64%	0.642	39%	0.388	S	S	*	.	H	α-helix	trans	-53.5	-35.9	-179.5	-62.5	-36.5	0	0	0	114.2	L46	D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 2.85Å; D42-L46 VanDerWaalsContact O-N 3.09Å
43	Y	52.8	Low	52.8	Low	190 Å²	190	74.7 Å²	74.7	75%	0.745	40%	0.398	S	S	*	.	H	α-helix	trans	-67.9	-37.8	178.4	-74.4	-81.2	0	0	0	113.7	C41 L46 I47	C41-Y43 VanDerWaalsContact C-N 3.25Å; C41-Y43 PolarHBondContact O-N 3.28Å; C41-Y43 VanDerWaalsContact O-N 3.12Å; Y43-L46 PolarHBondContact O-N 3.33Å; Y43-I47 WeakPolarHBondContact O-CG1 3.18Å; Y43-I47 PolarHBondContact O-N 2.91Å
44	L	50.9	Low	53.1	Low	27 Å²	27	78.7 Å²	78.7	14%	0.141	41%	0.407	C	S	.	.	H	α-helix	trans	-71.4	-38.3	-179.6	-165.6	103.9	0	0	0	110.6	C41 L46 I47 I48 F143 Y147	C41-L44 HydrophobicContact CB-CB 4.41Å; C41-L44 PolarHBondContact O-N 2.84Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.29Å; L44-I47 PolarHBondContact O-N 3.3Å; L44-I48 HydrophobicContact CD2-CD1 4.02Å; L44-I48 HydrophobicContact CG-CD1 4.4Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 2.86Å; L44-F143 HydrophobicContact CD1-CE1 3.97Å; L44-F143 HydrophobicContact CD1-CZ 3.78Å; L44-F143 HydrophobicContact CD2-CE1 3.67Å; L44-F143 HydrophobicContact CD2-CZ 4.35Å; L44-F143 HydrophobicContact CG-CE1 3.72Å; L44-F143 HydrophobicContact CG-CZ 3.99Å; L44-Y147 HydrophobicContact CD1-CD2 3.72Å; L44-Y147 HydrophobicContact CD1-CE2 3.75Å; L44-Y147 HydrophobicContact CD2-CD1 3.85Å; L44-Y147 HydrophobicContact CD2-CD2 3.39Å; L44-Y147 HydrophobicContact CD2-CE1 3.99Å; L44-Y147 HydrophobicContact CD2-CE2 3.53Å; L44-Y147 HydrophobicContact CD2-CG 3.54Å; L44-Y147 HydrophobicContact CG-CD2 4.19Å; L44-Y147 HydrophobicContact CG-CE2 4.16Å
45	K	52.1	Low	53.7	Low	38 Å²	38	74.3 Å²	74.3	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-47.5	171.6	-65.5	179.6	179.5	-174	0	110.9	T35 C38 T40 C41 I47 I48 I49	T35-K45 HydrophobicContact CG2-CB 4.46Å; C38-K45 WeakPolarHBondContact O-CE 3.32Å; C38-K45 PolarHBondContact O-NZ 2.95Å; T40-K45 WeakPolarHBondContact O-CE 3.23Å; C41-K45 PolarHBondContact O-N 3.01Å; K45-I47 PolarHBondContact O-N 2.94Å; K45-I48 PolarHBondContact O-N 3.36Å; K45-I49 HydrophobicContact CB-CD1 4.4Å; K45-I49 VanDerWaalsContact O-CB 3.32Å; K45-I49 WeakPolarHBondContact O-CB 3.5Å; K45-I49 WeakPolarHBondContact O-CD1 3.41Å; K45-I49 WeakPolarHBondContact O-CG1 3.45Å; K45-I49 PolarHBondContact O-N 3Å
46	L	53.9	Low	54	Low	84 Å²	84	75.9 Å²	75.9	44%	0.44	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-46.9	176.9	-75.3	168.9	0	0	0	111.2	D42 Y43 L44 I48 I49 F50	D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 2.85Å; D42-L46 VanDerWaalsContact O-N 3.09Å; Y43-L46 PolarHBondContact O-N 3.33Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.29Å; L46-I48 PolarHBondContact O-N 2.85Å; L46-I49 PolarHBondContact O-N 3.49Å; L46-F50 HydrophobicContact CB-CD2 4.31Å; L46-F50 HydrophobicContact CD2-CE2 4.18Å; L46-F50 VanDerWaalsContact O-CB 3.31Å; L46-F50 WeakPolarHBondContact O-CB 3.32Å; L46-F50 WeakPolarHBondContact O-CD2 3.17Å; L46-F50 PolarHBondContact O-N 2.78Å
47	I	54.5	Low	54.2	Low	100 Å²	100	71.8 Å²	71.8	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-43.9	178.7	-66.8	163.5	0	0	0	111.6	Y43 L44 K45 A51	Y43-I47 WeakPolarHBondContact O-CG1 3.18Å; Y43-I47 PolarHBondContact O-N 2.91Å; L44-I47 PolarHBondContact O-N 3.3Å; K45-I47 PolarHBondContact O-N 2.94Å; I47-A51 VanDerWaalsContact O-CB 3.28Å; I47-A51 WeakPolarHBondContact O-CB 3.27Å; I47-A51 PolarHBondContact O-N 3.4Å
48	I	53.8	Low	54.5	Low	14 Å²	14	68.5 Å²	68.5	7%	0.072	36%	0.364	C	S	.	.	H	α-helix	trans	-63.5	-49.1	176.9	-63.2	159.7	0	0	0	110	T35 L44 K45 L46 F50 A51 C52 F143	T35-I48 HydrophobicContact CG2-CB 4.02Å; T35-I48 HydrophobicContact CG2-CD1 4.1Å; T35-I48 HydrophobicContact CG2-CG2 3.89Å; L44-I48 HydrophobicContact CD2-CD1 4.02Å; L44-I48 HydrophobicContact CG-CD1 4.4Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.46Å; L44-I48 PolarHBondContact O-N 2.86Å; K45-I48 PolarHBondContact O-N 3.36Å; L46-I48 PolarHBondContact O-N 2.85Å; I48-F50 PolarHBondContact O-N 3.45Å; I48-A51 PolarHBondContact O-N 2.94Å; I48-C52 WeakPolarHBondContact O-CB 3.4Å; I48-C52 PolarHBondContact O-N 2.94Å; I48-C52 PolarHBondContact O-SG 2.78Å; I48-F143 HydrophobicContact CD1-CD1 3.53Å; I48-F143 HydrophobicContact CD1-CE1 3.44Å; I48-F143 VanDerWaalsContact CD1-CE1 3.44Å; I48-F143 HydrophobicContact CG1-CD1 3.41Å; I48-F143 VanDerWaalsContact CG1-CD1 3.41Å; I48-F143 HydrophobicContact CG1-CE1 3.25Å; I48-F143 HydrophobicContact CG1-CG 4.42Å; I48-F143 HydrophobicContact CG1-CZ 4.17Å
49	I	56.3	Low	54.9	Low	24 Å²	24	67.5 Å²	67.5	12%	0.123	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-46.6	-178.8	-69.5	165	0	0	0	110.1	T35 F36 K45 L46 A51 C52 I53	T35-I49 HydrophobicContact CG2-CD1 4.35Å; T35-I49 HydrophobicContact CG2-CG1 3.96Å; F36-I49 HydrophobicContact CD2-CD1 4.22Å; F36-I49 HydrophobicContact CE2-CD1 3.69Å; F36-I49 HydrophobicContact CZ-CD1 4.12Å; K45-I49 HydrophobicContact CB-CD1 4.4Å; K45-I49 VanDerWaalsContact O-CB 3.32Å; K45-I49 WeakPolarHBondContact O-CB 3.5Å; K45-I49 WeakPolarHBondContact O-CD1 3.41Å; K45-I49 WeakPolarHBondContact O-CG1 3.45Å; K45-I49 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 3.49Å; I49-A51 PolarHBondContact O-N 3.43Å; I49-C52 PolarHBondContact O-N 2.88Å; I49-I53 HydrophobicContact CG2-CD1 3.52Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 WeakPolarHBondContact O-CB 3.1Å; I49-I53 VanDerWaalsContact O-CG1 3.26Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 2.88Å
50	F	58.2	Low	55.2	Low	135 Å²	135	67.2 Å²	67.2	59%	0.592	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-45.7	176.1	-89.1	-70.9	0	0	0	111.5	L46 I48 C52 I53 W54	L46-F50 HydrophobicContact CB-CD2 4.31Å; L46-F50 HydrophobicContact CD2-CE2 4.18Å; L46-F50 VanDerWaalsContact O-CB 3.31Å; L46-F50 WeakPolarHBondContact O-CB 3.32Å; L46-F50 WeakPolarHBondContact O-CD2 3.17Å; L46-F50 PolarHBondContact O-N 2.78Å; I48-F50 PolarHBondContact O-N 3.45Å; F50-C52 VanDerWaalsContact C-N 3.33Å; F50-C52 PolarHBondContact O-N 2.85Å; F50-I53 PolarHBondContact O-N 3.47Å; F50-W54 WeakPolarHBondContact O-CB 3.37Å; F50-W54 PolarHBondContact O-N 3.23Å
51	A	57.5	Low	55.4	Low	30 Å²	30	69.4 Å²	69.4	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-38.7	176.6	0	0	0	0	0	112.2	I47 I48 I49 L55	I47-A51 VanDerWaalsContact O-CB 3.28Å; I47-A51 WeakPolarHBondContact O-CB 3.27Å; I47-A51 PolarHBondContact O-N 3.4Å; I48-A51 PolarHBondContact O-N 2.94Å; I49-A51 PolarHBondContact O-N 3.43Å; A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 2.82Å
52	C	56.4	Low	55.5	Low	9 Å²	9	68.2 Å²	68.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-50	177.4	-68.1	0	0	0	0	111.8	I48 I49 F50 L55 T56 N140	I48-C52 WeakPolarHBondContact O-CB 3.4Å; I48-C52 PolarHBondContact O-N 2.94Å; I48-C52 PolarHBondContact O-SG 2.78Å; I49-C52 PolarHBondContact O-N 2.88Å; F50-C52 VanDerWaalsContact C-N 3.33Å; F50-C52 PolarHBondContact O-N 2.85Å; C52-L55 PolarHBondContact O-N 2.72Å; C52-T56 WeakPolarHBondContact O-CB 3.34Å; C52-T56 WeakPolarHBondContact O-CG2 3.18Å; C52-T56 PolarHBondContact O-N 3.32Å; C52-T56 PolarHBondContact O-OG1 3.04Å; C52-N140 VanDerWaalsContact SG-CG 3.51Å; C52-N140 PolarHBondContact SG-ND2 3.37Å; C52-N140 PolarHBondContact SG-OD1 3.07Å; C52-N140 VanDerWaalsContact SG-OD1 3.37Å
53	I	56.7	Low	55.3	Low	82 Å²	82	64.4 Å²	64.4	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-45.9	179.2	-67.4	170.9	0	0	0	109.3	I49 F50 L55 T56 A57	I49-I53 HydrophobicContact CG2-CD1 3.52Å; I49-I53 HydrophobicContact CG2-CG1 4.26Å; I49-I53 WeakPolarHBondContact O-CB 3.1Å; I49-I53 VanDerWaalsContact O-CG1 3.26Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 2.88Å; F50-I53 PolarHBondContact O-N 3.47Å; I53-L55 PolarHBondContact O-N 3.21Å; I53-T56 PolarHBondContact O-N 3.3Å; I53-T56 PolarHBondContact O-OG1 3.37Å; I53-A57 WeakPolarHBondContact O-CA 3.31Å; I53-A57 WeakPolarHBondContact O-CB 3.4Å; I53-A57 PolarHBondContact O-N 2.94Å
54	W	60.4	Low	55.6	Low	190 Å²	190	60.7 Å²	60.7	72%	0.72	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-40.5	-179.4	-162.8	-87.1	0	0	0	112.2	F50 G58	F50-W54 WeakPolarHBondContact O-CB 3.37Å; F50-W54 PolarHBondContact O-N 3.23Å; W54-G58 WeakPolarHBondContact O-CA 3.21Å; W54-G58 PolarHBondContact O-N 3.03Å
55	L	58.8	Low	55.8	Low	24 Å²	24	63.4 Å²	63.4	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-43.9	179	-165.3	78.8	0	0	0	111.8	A51 C52 I53 G59 L110	A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 2.82Å; C52-L55 PolarHBondContact O-N 2.72Å; I53-L55 PolarHBondContact O-N 3.21Å; L55-G59 PolarHBondContact O-N 3.33Å; L55-L110 HydrophobicContact CD1-CB 4.18Å; L55-L110 HydrophobicContact CD1-CD1 3.94Å; L55-L110 HydrophobicContact CD1-CD2 4.48Å; L55-L110 HydrophobicContact CD1-CG 4.42Å
56	T	56.4	Low	56	Low	46 Å²	46	63 Å²	63	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-47.3	-178.6	52.4	0	0	0	0	112	C52 I53 Y60	C52-T56 WeakPolarHBondContact O-CB 3.34Å; C52-T56 WeakPolarHBondContact O-CG2 3.18Å; C52-T56 PolarHBondContact O-N 3.32Å; C52-T56 PolarHBondContact O-OG1 3.04Å; I53-T56 PolarHBondContact O-N 3.3Å; I53-T56 PolarHBondContact O-OG1 3.37Å; T56-Y60 VanDerWaalsContact O-CB 3.27Å; T56-Y60 WeakPolarHBondContact O-CB 3.44Å; T56-Y60 PolarHBondContact O-N 3.11Å; T56-Y60 VanDerWaalsContact O-N 3.12Å
57	A	55	Low	55.9	Low	47 Å²	47	65.3 Å²	65.3	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-43.1	176.5	0	0	0	0	0	111.5	I53 Y60 V61	I53-A57 WeakPolarHBondContact O-CA 3.31Å; I53-A57 WeakPolarHBondContact O-CB 3.4Å; I53-A57 PolarHBondContact O-N 2.94Å; A57-Y60 PolarHBondContact O-N 3.38Å; A57-V61 WeakPolarHBondContact O-CB 3.29Å; A57-V61 WeakPolarHBondContact O-CG2 3.38Å; A57-V61 PolarHBondContact O-N 3.08Å
58	G	55.7	Low	55.6	Low	22 Å²	22	69.8 Å²	69.8	23%	0.227	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-48.2	178.7	0	0	0	0	0	112.2	W54 Y60 V61 M62	W54-G58 WeakPolarHBondContact O-CA 3.21Å; W54-G58 PolarHBondContact O-N 3.03Å; G58-Y60 PolarHBondContact O-N 2.86Å; G58-V61 PolarHBondContact O-N 3.18Å; G58-M62 WeakPolarHBondContact O-CB 3.47Å; G58-M62 WeakPolarHBondContact O-CG 3.15Å; G58-M62 PolarHBondContact O-N 2.84Å
59	G	56.4	Low	55.6	Low	2 Å²	2	76.7 Å²	76.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-43.2	176.1	0	0	0	0	0	112.7	L55 M62 Q63	L55-G59 PolarHBondContact O-N 3.33Å; G59-M62 PolarHBondContact O-N 3.31Å; G59-Q63 WeakPolarHBondContact O-CB 3.31Å; G59-Q63 PolarHBondContact O-N 3.38Å
60	Y	52.6	Low	55.2	Low	113 Å²	113	80.5 Å²	80.5	44%	0.443	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-45.2	177	-179.8	-97.9	0	0	0	112.7	T56 A57 G58 M62 Q63 K64	T56-Y60 VanDerWaalsContact O-CB 3.27Å; T56-Y60 WeakPolarHBondContact O-CB 3.44Å; T56-Y60 PolarHBondContact O-N 3.11Å; T56-Y60 VanDerWaalsContact O-N 3.12Å; A57-Y60 PolarHBondContact O-N 3.38Å; G58-Y60 PolarHBondContact O-N 2.86Å; Y60-M62 VanDerWaalsContact C-N 3.33Å; Y60-M62 PolarHBondContact O-N 3.24Å; Y60-Q63 PolarHBondContact O-N 3.33Å; Y60-K64 HydrophobicContact CE1-CD 4.16Å; Y60-K64 WeakPolarHBondContact O-CB 3.27Å; Y60-K64 PolarHBondContact O-N 3.48Å
61	V	55.6	Low	54.7	Low	74 Å²	74	82 Å²	82	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176.8	168.7	0	0	0	0	110.3	A57 G58 Q63 K64 I65	A57-V61 WeakPolarHBondContact O-CB 3.29Å; A57-V61 WeakPolarHBondContact O-CG2 3.38Å; A57-V61 PolarHBondContact O-N 3.08Å; G58-V61 PolarHBondContact O-N 3.18Å; V61-Q63 PolarHBondContact O-N 2.79Å; V61-K64 PolarHBondContact O-N 3.21Å; V61-I65 HydrophobicContact CG1-CD1 3.54Å; V61-I65 HydrophobicContact CG1-CG1 4.21Å; V61-I65 WeakPolarHBondContact O-CB 3.05Å; V61-I65 VanDerWaalsContact O-CG1 3.23Å; V61-I65 WeakPolarHBondContact O-CG1 3.27Å; V61-I65 PolarHBondContact O-N 2.87Å
62	M	54.3	Low	54.2	Low	62 Å²	62	89.5 Å²	89.5	31%	0.305	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176	-72.3	-173.3	120.1	0	0	112.1	G58 G59 Y60 N66 L114 L117	G58-M62 WeakPolarHBondContact O-CB 3.47Å; G58-M62 WeakPolarHBondContact O-CG 3.15Å; G58-M62 PolarHBondContact O-N 2.84Å; G59-M62 PolarHBondContact O-N 3.31Å; Y60-M62 VanDerWaalsContact C-N 3.33Å; Y60-M62 PolarHBondContact O-N 3.24Å; M62-N66 WeakPolarHBondContact O-CB 3.24Å; M62-N66 PolarHBondContact O-N 3.45Å; M62-N66 PolarHBondContact O-ND2 3.23Å; M62-L114 HydrophobicContact CE-CD1 3.21Å; M62-L114 HydrophobicContact CE-CD2 3.7Å; M62-L114 HydrophobicContact CE-CG 3.99Å; M62-L114 HydrophobicContact SD-CD1 3.84Å; M62-L117 HydrophobicContact CB-CD1 4.39Å
63	Q	53.7	Low	53.8	Low	40 Å²	40	91.4 Å²	91.4	19%	0.187	43%	0.43	C	S	.	.	H	α-helix	trans	-62.8	-44.9	175.5	-171.4	176.1	10	0	0	111.2	G59 Y60 V61 N66 F67 L117 L128	G59-Q63 WeakPolarHBondContact O-CB 3.31Å; G59-Q63 PolarHBondContact O-N 3.38Å; Y60-Q63 PolarHBondContact O-N 3.33Å; V61-Q63 PolarHBondContact O-N 2.79Å; Q63-N66 PolarHBondContact O-N 3.37Å; Q63-F67 WeakPolarHBondContact O-CB 3.37Å; Q63-F67 PolarHBondContact O-N 3.32Å; Q63-L117 HydrophobicContact CB-CD1 4.48Å; Q63-L128 HydrophobicContact CB-CD2 4.3Å; Q63-L128 HydrophobicContact CG-CD2 4.3Å
64	K	57.8	Low	53.6	Low	111 Å²	111	93.2 Å²	93.2	48%	0.483	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-37.5	-179.8	-168.1	174	-176.4	174.7	0	113	Y60 V61 R68	Y60-K64 HydrophobicContact CE1-CD 4.16Å; Y60-K64 WeakPolarHBondContact O-CB 3.27Å; Y60-K64 PolarHBondContact O-N 3.48Å; V61-K64 PolarHBondContact O-N 3.21Å; K64-R68 PolarHBondContact O-N 2.89Å
65	I	56.5	Low	53.1	Low	84 Å²	84	93 Å²	93	43%	0.431	44%	0.44	S	S	.	.	H	α-helix	trans	-68.7	-48.1	175.1	-69.3	171.4	0	0	0	109.5	V61 F67 R68 Y69	V61-I65 HydrophobicContact CG1-CD1 3.54Å; V61-I65 HydrophobicContact CG1-CG1 4.21Å; V61-I65 WeakPolarHBondContact O-CB 3.05Å; V61-I65 VanDerWaalsContact O-CG1 3.23Å; V61-I65 WeakPolarHBondContact O-CG1 3.27Å; V61-I65 PolarHBondContact O-N 2.87Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 2.86Å; I65-R68 CarbonylContact O-C 3.56Å; I65-R68 PolarHBondContact O-N 3.41Å; I65-Y69 HydrophobicContact CG2-CD2 3.65Å; I65-Y69 HydrophobicContact CG2-CE2 4.09Å; I65-Y69 VanDerWaalsContact O-CD2 3.32Å; I65-Y69 WeakPolarHBondContact O-CD2 3.17Å; I65-Y69 PolarHBondContact O-N 3.37Å
66	N	54.6	Low	52.8	Low	30 Å²	30	97.2 Å²	97.2	16%	0.16	46%	0.462	C	S	.	.	H	α-helix	trans	-68.5	-29.2	-178	-76.4	-70.1	0	0	0	113.6	M62 Q63 R68 Y69 E70 L117	M62-N66 WeakPolarHBondContact O-CB 3.24Å; M62-N66 PolarHBondContact O-N 3.45Å; M62-N66 PolarHBondContact O-ND2 3.23Å; Q63-N66 PolarHBondContact O-N 3.37Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 2.85Å; N66-Y69 CarbonylContact O-C 3.58Å; N66-E70 PolarHBondContact O-N 3.27Å; N66-L117 HydrophobicContact CB-CD2 3.46Å; N66-L117 VanDerWaalsContact CB-CD2 3.46Å; N66-L117 WeakPolarHBondContact ND2-CD2 3.31Å
67	F	52.2	Low	52.6	Low	133 Å²	133	98 Å²	98	58%	0.583	46%	0.46	S	S	*	.	H	α-helix	trans	-66.6	-30.4	170.1	-170.1	-93.1	0	0	0	112.4	Q63 I65	Q63-F67 WeakPolarHBondContact O-CB 3.37Å; Q63-F67 PolarHBondContact O-N 3.32Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 2.86Å
68	R	49.1	Very low	52.4	Low	194 Å²	194	99.1 Å²	99.1	73%	0.732	46%	0.458	S	S	*	.	H	α-helix	trans	-86.4	-27.3	177.3	-75.3	-167.9	175.7	-157	-1.4	113.9	K64 I65 N66	K64-R68 PolarHBondContact O-N 2.89Å; I65-R68 CarbonylContact O-C 3.56Å; I65-R68 PolarHBondContact O-N 3.41Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 2.85Å
69	Y	52.6	Low	52	Low	158 Å²	158	101 Å²	101	62%	0.62	47%	0.468	S	S	*	.			trans	-105.6	51.1	176.2	-68.2	-85.8	0	0	0	110.1	I65 N66	I65-Y69 HydrophobicContact CG2-CD2 3.65Å; I65-Y69 HydrophobicContact CG2-CE2 4.09Å; I65-Y69 VanDerWaalsContact O-CD2 3.32Å; I65-Y69 WeakPolarHBondContact O-CD2 3.17Å; I65-Y69 PolarHBondContact O-N 3.37Å; N66-Y69 CarbonylContact O-C 3.58Å
70	E	48.7	Very low	51.8	Low	104 Å²	104	105.6 Å²	105.6	49%	0.486	49%	0.491	S	S	.	.			trans	-62.6	138.6	155	-73.9	-169.7	147.3	0	0	107.6	N66	N66-E70 PolarHBondContact O-N 3.27Å
71	F	48.7	Very low	51.8	Low	167 Å²	167	100.6 Å²	100.6	73%	0.732	47%	0.473	S	S	*	.	S	Bend	trans	81.2	131.3	178.9	-63.6	-96.7	0	0	0	116.8
72	F	45.9	Very low	51.5	Low	188 Å²	188	102 Å²	102	83%	0.825	48%	0.477	S	S	*	.	S	Bend	trans	85.4	116.3	177	-66.9	-89.7	0	0	0	117.2	R77	F72-R77 PolarHBondContact O-NH2 3.47Å
73	A	48.4	Very low	51.4	Low	49 Å²	49	102.8 Å²	102.8	41%	0.405	49%	0.485	S	S	.	.			trans	97	54.2	175	0	0	0	0	0	117.3	R77	A73-R77 HydrophobicContact CB-CG 4.2Å; A73-R77 WeakPolarHBondContact O-CB 3.42Å; A73-R77 VanDerWaalsContact O-CG 3.29Å; A73-R77 WeakPolarHBondContact O-CG 3.46Å; A73-R77 PolarHBondContact O-NE 3.42Å
74	H	52.9	Low	51.4	Low	120 Å²	120	104.8 Å²	104.8	56%	0.556	50%	0.497	S	S	*	.	H	α-helix	trans	-73.2	-26.1	177	-162	-69.6	0	0	0	114.1	I78	H74-I78 WeakPolarHBondContact O-CD1 2.92Å; H74-I78 VanDerWaalsContact O-CG1 3.27Å; H74-I78 WeakPolarHBondContact O-CG1 3.42Å
75	K	48.7	Very low	51.2	Low	184 Å²	184	101.3 Å²	101.3	80%	0.8	49%	0.485	S	S	*	.	H	α-helix	trans	-93.1	-44.8	-175.3	-66.7	-176	-179.8	-179.6	0	113.6	S79	K75-S79 PolarHBondContact O-N 3.45Å; K75-S79 PolarHBondContact O-OG 3.48Å
76	I	52.8	Low	50.9	Low	114 Å²	114	101.8 Å²	101.8	59%	0.585	49%	0.488	S	S	*	.	H	α-helix	trans	-69.3	-35.5	-178.3	-63.3	165.6	0	0	0	111.3	S79 L80	I76-S79 WeakPolarHBondContact CA-OG 3.37Å; I76-S79 PolarHBondContact O-N 2.98Å; I76-S79 PolarHBondContact O-OG 2.78Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.2Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 2.83Å
77	R	53.2	Low	50.7	Low	63 Å²	63	105.5 Å²	105.5	24%	0.238	51%	0.505	C	S	.	.	H	α-helix	trans	-67.1	-44.4	178.2	-70.7	-172.3	-76.7	-167.2	-3	111.7	F72 A73 S79 L80 T81 V118	F72-R77 PolarHBondContact O-NH2 3.47Å; A73-R77 HydrophobicContact CB-CG 4.2Å; A73-R77 WeakPolarHBondContact O-CB 3.42Å; A73-R77 VanDerWaalsContact O-CG 3.29Å; A73-R77 WeakPolarHBondContact O-CG 3.46Å; A73-R77 PolarHBondContact O-NE 3.42Å; R77-S79 PolarHBondContact O-N 3.2Å; R77-L80 PolarHBondContact O-N 2.86Å; R77-T81 PolarHBondContact O-N 3.12Å; R77-T81 PolarHBondContact O-OG1 3.42Å; R77-V118 HydrophobicContact CB-CG1 3.72Å; R77-V118 HydrophobicContact CB-CG2 4.44Å
78	I	50.9	Low	50.7	Low	69 Å²	69	99.4 Å²	99.4	35%	0.354	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-44.3	177.2	-63.8	173.8	0	0	0	110.8	H74 T81 L82 V118	H74-I78 WeakPolarHBondContact O-CD1 2.92Å; H74-I78 VanDerWaalsContact O-CG1 3.27Å; H74-I78 WeakPolarHBondContact O-CG1 3.42Å; I78-T81 PolarHBondContact O-N 3.45Å; I78-L82 WeakPolarHBondContact O-CB 3.39Å; I78-L82 PolarHBondContact O-N 2.95Å; I78-V118 HydrophobicContact CG1-CG1 3.73Å
79	S	46.3	Very low	50.7	Low	62 Å²	62	92.4 Å²	92.4	43%	0.434	46%	0.46	S	S	.	.	H	α-helix	trans	-65.2	-43.1	178	59.2	0	0	0	0	112.3	K75 I76 R77 T81 L82 V83	K75-S79 PolarHBondContact O-N 3.45Å; K75-S79 PolarHBondContact O-OG 3.48Å; I76-S79 WeakPolarHBondContact CA-OG 3.37Å; I76-S79 PolarHBondContact O-N 2.98Å; I76-S79 PolarHBondContact O-OG 2.78Å; R77-S79 PolarHBondContact O-N 3.2Å; S79-T81 VanDerWaalsContact C-N 3.35Å; S79-L82 PolarHBondContact O-N 2.85Å; S79-V83 VanDerWaalsContact O-CG2 3.27Å; S79-V83 WeakPolarHBondContact O-CG2 3.48Å; S79-V83 PolarHBondContact O-N 2.89Å
80	L	53.1	Low	50.3	Low	98 Å²	98	88.2 Å²	88.2	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-42.1	176.8	-76.4	173.6	0	0	0	111.4	I76 R77 L82 V83 L84	I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.2Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.25Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 2.83Å; R77-L80 PolarHBondContact O-N 2.86Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L80-L82 PolarHBondContact O-N 3.42Å; L80-V83 PolarHBondContact O-N 2.76Å; L80-L84 WeakPolarHBondContact O-CB 3.27Å; L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.49Å
81	T	52.9	Low	50.4	Low	9 Å²	9	87.3 Å²	87.3	6%	0.055	45%	0.449	C	S	.	.	H	α-helix	trans	-69.6	-36	179.7	-44.1	0	0	0	0	112	R77 I78 S79 L84 V85 L114 A115	R77-T81 PolarHBondContact O-N 3.12Å; R77-T81 PolarHBondContact O-OG1 3.42Å; I78-T81 PolarHBondContact O-N 3.45Å; S79-T81 VanDerWaalsContact C-N 3.35Å; T81-L84 PolarHBondContact O-N 3.48Å; T81-V85 VanDerWaalsContact O-CG2 3.28Å; T81-V85 WeakPolarHBondContact O-CG2 3.38Å; T81-V85 PolarHBondContact O-N 2.92Å; T81-L114 HydrophobicContact CG2-CB 4.16Å; T81-L114 HydrophobicContact CG2-CD2 4.25Å; T81-L114 HydrophobicContact CG2-CG 3.93Å; T81-A115 HydrophobicContact CG2-CB 3.54Å; T81-A115 VanDerWaalsContact CG2-N 3.28Å
82	L	47.9	Very low	50.4	Low	102 Å²	102	80 Å²	80	53%	0.534	42%	0.419	S	S	.	.	H	α-helix	trans	-65.5	-39.8	174.2	-166.1	143.9	0	0	0	111.6	I78 S79 L80 V85 L86	I78-L82 WeakPolarHBondContact O-CB 3.39Å; I78-L82 PolarHBondContact O-N 2.95Å; S79-L82 PolarHBondContact O-N 2.85Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L80-L82 PolarHBondContact O-N 3.42Å; L82-V85 PolarHBondContact O-N 2.89Å; L82-L86 HydrophobicContact CD2-CD1 3.59Å; L82-L86 HydrophobicContact CD2-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 2.94Å
83	V	52.7	Low	50.3	Low	79 Å²	79	78.2 Å²	78.2	48%	0.479	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-43.5	172.1	170.6	0	0	0	0	111.1	S79 L80 L86 M87	S79-V83 VanDerWaalsContact O-CG2 3.27Å; S79-V83 WeakPolarHBondContact O-CG2 3.48Å; S79-V83 PolarHBondContact O-N 2.89Å; L80-V83 PolarHBondContact O-N 2.76Å; V83-L86 PolarHBondContact O-N 2.73Å; V83-M87 HydrophobicContact CG1-CG 4.14Å; V83-M87 WeakPolarHBondContact O-CB 3.35Å; V83-M87 VanDerWaalsContact O-CG 3.23Å; V83-M87 WeakPolarHBondContact O-CG 3.39Å; V83-M87 PolarHBondContact O-N 3.38Å
84	L	54.5	Low	50.2	Low	83 Å²	83	82.4 Å²	82.4	44%	0.435	43%	0.432	S	S	.	.	H	α-helix	trans	-64.5	-40.3	177.3	-73	169.8	0	0	0	112.2	L80 T81 S88 T111 L114	L80-L84 WeakPolarHBondContact O-CB 3.27Å; L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.49Å; T81-L84 PolarHBondContact O-N 3.48Å; L84-S88 VanDerWaalsContact O-CB 3.24Å; L84-S88 WeakPolarHBondContact O-CB 3.21Å; L84-S88 PolarHBondContact O-N 3.31Å; L84-S88 PolarHBondContact O-OG 3.4Å; L84-T111 HydrophobicContact CB-CG2 4.18Å; L84-L114 HydrophobicContact CD1-CD2 4.42Å
85	V	53	Low	50.3	Low	37 Å²	37	79.2 Å²	79.2	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-49.2	173.9	171.1	0	0	0	0	110	T81 L82 S88 S89 I112 A115	T81-V85 VanDerWaalsContact O-CG2 3.28Å; T81-V85 WeakPolarHBondContact O-CG2 3.38Å; T81-V85 PolarHBondContact O-N 2.92Å; L82-V85 PolarHBondContact O-N 2.89Å; V85-S88 WeakPolarHBondContact CA-OG 3.23Å; V85-S88 PolarHBondContact O-N 2.97Å; V85-S88 PolarHBondContact O-OG 2.84Å; V85-S89 WeakPolarHBondContact O-CB 3.41Å; V85-S89 PolarHBondContact O-N 2.95Å; V85-S89 PolarHBondContact O-OG 3.41Å; V85-I112 HydrophobicContact CG1-CG1 4.26Å; V85-I112 HydrophobicContact CG2-CG1 4.31Å; V85-A115 HydrophobicContact CG2-CB 4.2Å
86	L	50.2	Low	50.2	Low	94 Å²	94	76.6 Å²	76.6	49%	0.492	42%	0.417	S	S	.	.	H	α-helix	trans	-58.7	-51.3	177.1	-76.8	170.8	0	0	0	111.8	L82 V83 S88 S89 T90	L82-L86 HydrophobicContact CD2-CD1 3.59Å; L82-L86 HydrophobicContact CD2-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 2.94Å; V83-L86 PolarHBondContact O-N 2.73Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.09Å; L86-S89 WeakPolarHBondContact CA-OG 3.32Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-S89 VanDerWaalsContact O-N 3.11Å; L86-S89 PolarHBondContact O-OG 3.05Å; L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.45Å; L86-T90 PolarHBondContact O-OG1 2.9Å
87	M	50.3	Low	50.2	Low	108 Å²	108	75.6 Å²	75.6	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-40.6	179	-70.7	-59.8	-66.2	0	0	112.2	V83 S89 T90 L91	V83-M87 HydrophobicContact CG1-CG 4.14Å; V83-M87 WeakPolarHBondContact O-CB 3.35Å; V83-M87 VanDerWaalsContact O-CG 3.23Å; V83-M87 WeakPolarHBondContact O-CG 3.39Å; V83-M87 PolarHBondContact O-N 3.38Å; M87-S89 VanDerWaalsContact C-N 3.33Å; M87-S89 PolarHBondContact O-N 2.88Å; M87-T90 WeakPolarHBondContact CA-OG1 3.4Å; M87-T90 PolarHBondContact O-OG1 3.5Å; M87-L91 WeakPolarHBondContact O-CB 2.96Å; M87-L91 WeakPolarHBondContact O-CG 3.45Å; M87-L91 PolarHBondContact O-N 3.22Å
88	S	52.9	Low	50.1	Low	6 Å²	6	75.5 Å²	75.5	4%	0.042	42%	0.421	C	S	.	.	H	α-helix	trans	-65.1	-39.7	175.8	66.6	0	0	0	0	111.5	L84 V85 L86 C92 T108 T111	L84-S88 VanDerWaalsContact O-CB 3.24Å; L84-S88 WeakPolarHBondContact O-CB 3.21Å; L84-S88 PolarHBondContact O-N 3.31Å; L84-S88 PolarHBondContact O-OG 3.4Å; V85-S88 WeakPolarHBondContact CA-OG 3.23Å; V85-S88 PolarHBondContact O-N 2.97Å; V85-S88 PolarHBondContact O-OG 2.84Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.09Å; S88-C92 WeakPolarHBondContact O-CB 3.36Å; S88-C92 PolarHBondContact O-N 2.85Å; S88-T108 WeakPolarHBondContact O-CG2 3.22Å; S88-T108 WeakPolarHBondContact OG-CA 3.44Å; S88-T108 WeakPolarHBondContact OG-CG2 3.42Å; S88-T111 PolarHBondContact OG-OG1 3.12Å
89	S	47.7	Very low	50.4	Low	46 Å²	46	79.6 Å²	79.6	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-70.6	-36.6	-179.4	68.9	0	0	0	0	112.3	V85 L86 M87 C92 L93	V85-S89 WeakPolarHBondContact O-CB 3.41Å; V85-S89 PolarHBondContact O-N 2.95Å; V85-S89 PolarHBondContact O-OG 3.41Å; L86-S89 WeakPolarHBondContact CA-OG 3.32Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-S89 VanDerWaalsContact O-N 3.11Å; L86-S89 PolarHBondContact O-OG 3.05Å; M87-S89 VanDerWaalsContact C-N 3.33Å; M87-S89 PolarHBondContact O-N 2.88Å; S89-C92 WeakPolarHBondContact O-CB 3.42Å; S89-C92 PolarHBondContact O-N 3.34Å; S89-L93 WeakPolarHBondContact O-CG 3.38Å; S89-L93 PolarHBondContact O-N 3.34Å; S89-L93 VanDerWaalsContact O-N 3.17Å
90	T	45.4	Very low	50.8	Low	71 Å²	71	81.4 Å²	81.4	44%	0.436	44%	0.438	S	S	.	.	H	α-helix	trans	-70.5	-39.2	176	53.9	0	0	0	0	111.7	L86 M87 C92 L93 L94	L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.45Å; L86-T90 PolarHBondContact O-OG1 2.9Å; M87-T90 WeakPolarHBondContact CA-OG1 3.4Å; M87-T90 PolarHBondContact O-OG1 3.5Å; T90-C92 VanDerWaalsContact C-N 3.29Å; T90-C92 PolarHBondContact O-N 2.79Å; T90-L93 PolarHBondContact O-N 3.06Å; T90-L94 PolarHBondContact O-N 3.4Å; T90-L94 VanDerWaalsContact O-N 3.17Å
91	L	49.2	Very low	51	Low	84 Å²	84	79.1 Å²	79.1	44%	0.44	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-40.5	171.7	-72.1	170	0	0	0	111.4	M87 L93 L94 E95 L104	M87-L91 WeakPolarHBondContact O-CB 2.96Å; M87-L91 WeakPolarHBondContact O-CG 3.45Å; M87-L91 PolarHBondContact O-N 3.22Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 2.92Å; L91-L94 PolarHBondContact O-N 2.88Å; L91-E95 PolarHBondContact O-N 3.33Å; L91-L104 HydrophobicContact CB-CD2 3.97Å
92	C	49.6	Very low	51.4	Low	14 Å²	14	80.5 Å²	80.5	10%	0.095	43%	0.433	C	S	.	.	H	α-helix	trans	-64.2	-28.8	176.4	-164.5	0	0	0	0	113.4	S88 S89 T90 F101 L104 T108	S88-C92 WeakPolarHBondContact O-CB 3.36Å; S88-C92 PolarHBondContact O-N 2.85Å; S89-C92 WeakPolarHBondContact O-CB 3.42Å; S89-C92 PolarHBondContact O-N 3.34Å; T90-C92 VanDerWaalsContact C-N 3.29Å; T90-C92 PolarHBondContact O-N 2.79Å; C92-F101 VanDerWaalsContact O-CD2 3.25Å; C92-F101 WeakPolarHBondContact O-CD2 3.44Å; C92-F101 WeakPolarHBondContact O-CE2 3.44Å; C92-F101 WeakPolarHBondContact SG-CE2 3.44Å; C92-L104 HydrophobicContact CB-CB 4.38Å; C92-T108 HydrophobicContact CB-CG2 4.11Å
93	L	43.1	Very low	51.9	Low	150 Å²	150	78.1 Å²	78.1	79%	0.785	43%	0.428	S	S	*	.	H	α-helix	trans	-79.4	-24.9	176	-72.3	172.4	0	0	0	113.1	S89 T90 L91 E95	S89-L93 WeakPolarHBondContact O-CG 3.38Å; S89-L93 PolarHBondContact O-N 3.34Å; S89-L93 VanDerWaalsContact O-N 3.17Å; T90-L93 PolarHBondContact O-N 3.06Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 2.92Å; L93-E95 VanDerWaalsContact C-N 3.31Å
94	L	46.2	Very low	52.2	Low	137 Å²	137	76 Å²	76	72%	0.717	41%	0.413	S	S	*	.	H	α-helix	trans	-79.1	-20.8	179.6	-162.3	69.5	0	0	0	112	T90 L91 T96	T90-L94 PolarHBondContact O-N 3.4Å; T90-L94 VanDerWaalsContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 2.88Å; L94-T96 PolarHBondContact O-N 2.66Å
95	E	55	Low	52.4	Low	54 Å²	54	72.3 Å²	72.3	25%	0.252	40%	0.395	S	S	.	.			trans	-80	120.4	-172.9	-155.3	58.9	-117.8	0	0	112.6	L91 L93 E100 L104	L91-E95 PolarHBondContact O-N 3.33Å; L93-E95 VanDerWaalsContact C-N 3.31Å; E95-E100 HydrophobicContact CG-CB 3.41Å; E95-E100 VanDerWaalsContact CG-CB 3.41Å; E95-E100 VanDerWaalsContact OE1-OE2 3.12Å; E95-L104 HydrophobicContact CB-CD1 3.65Å; E95-L104 HydrophobicContact CG-CD1 3.66Å; E95-L104 WeakPolarHBondContact OE2-CD1 3.31Å
96	T	47.5	Very low	53	Low	128 Å²	128	72 Å²	72	79%	0.785	39%	0.389	S	S	*	.			trans	-90.8	-24.3	178.7	53.3	0	0	0	0	112.7	L94	L94-T96 PolarHBondContact O-N 2.66Å
97	D	53.7	Low	53.6	Low	94 Å²	94	71 Å²	71	50%	0.503	39%	0.387	S	S	.	.			trans	-86.1	121.6	-176.5	-82.7	-10.7	0	0	0	111.7	K99 E100 F101	D97-K99 PolarHBondContact O-N 3.42Å; D97-E100 HydrophobicContact CB-CB 4.22Å; D97-E100 HydrophobicContact CB-CG 4.16Å; D97-E100 PolarHBondContact O-N 3.32Å; D97-F101 WeakPolarHBondContact O-CB 3.45Å; D97-F101 PolarHBondContact O-N 2.93Å
98	S	50.3	Low	54.1	Low	60 Å²	60	66.9 Å²	66.9	42%	0.42	37%	0.368	S	S	.	.	H	α-helix	trans	-54.3	-31.5	-178.8	58.5	0	0	0	0	114.2	V102	S98-V102 VanDerWaalsContact O-CG2 3.26Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 2.85Å; S98-V102 VanDerWaalsContact O-N 3.17Å
99	K	56.6	Low	54.6	Low	155 Å²	155	67.6 Å²	67.6	67%	0.674	37%	0.371	S	S	*	.	H	α-helix	trans	-72	-43.9	178.5	-64.7	178	-176.2	171	0	111.5	D97 V102 A103	D97-K99 PolarHBondContact O-N 3.42Å; K99-V102 PolarHBondContact O-N 3.46Å; K99-A103 PolarHBondContact O-N 2.78Å
100	E	56.2	Low	55.3	Low	100 Å²	100	67.1 Å²	67.1	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-73.9	-37.3	-179.7	-60.5	-163.8	-178.3	0	0	110.5	E95 D97 V102 A103 L104	E95-E100 HydrophobicContact CG-CB 3.41Å; E95-E100 VanDerWaalsContact CG-CB 3.41Å; E95-E100 VanDerWaalsContact OE1-OE2 3.12Å; D97-E100 HydrophobicContact CB-CB 4.22Å; D97-E100 HydrophobicContact CB-CG 4.16Å; D97-E100 PolarHBondContact O-N 3.32Å; E100-V102 VanDerWaalsContact C-N 3.34Å; E100-V102 PolarHBondContact O-N 3.46Å; E100-A103 WeakPolarHBondContact O-CB 3.1Å; E100-A103 PolarHBondContact O-N 3.27Å; E100-A103 VanDerWaalsContact O-N 3.14Å; E100-L104 WeakPolarHBondContact O-CB 3.21Å; E100-L104 PolarHBondContact O-N 2.89Å
101	F	56.5	Low	56.2	Low	50 Å²	50	64.5 Å²	64.5	22%	0.219	35%	0.348	C	S	.	.	H	α-helix	trans	-57	-45.1	171.4	-178.8	-91.7	0	0	0	111.8	C92 D97 A103 L104 S105 L166	C92-F101 VanDerWaalsContact O-CD2 3.25Å; C92-F101 WeakPolarHBondContact O-CD2 3.44Å; C92-F101 WeakPolarHBondContact O-CE2 3.44Å; C92-F101 WeakPolarHBondContact SG-CE2 3.44Å; D97-F101 WeakPolarHBondContact O-CB 3.45Å; D97-F101 PolarHBondContact O-N 2.93Å; F101-A103 PolarHBondContact O-N 3.42Å; F101-L104 PolarHBondContact O-N 2.75Å; F101-S105 WeakPolarHBondContact O-CB 3.34Å; F101-S105 PolarHBondContact O-N 3.24Å; F101-L166 HydrophobicContact CE1-CD1 3.64Å; F101-L166 HydrophobicContact CZ-CD1 3.77Å
102	V	60.1	Low	56.8	Low	39 Å²	39	63.6 Å²	63.6	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-39.7	177.6	173.5	0	0	0	0	111.1	S98 K99 E100 S105 R106 F143	S98-V102 VanDerWaalsContact O-CG2 3.26Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 2.85Å; S98-V102 VanDerWaalsContact O-N 3.17Å; K99-V102 PolarHBondContact O-N 3.46Å; E100-V102 VanDerWaalsContact C-N 3.34Å; E100-V102 PolarHBondContact O-N 3.46Å; V102-S105 PolarHBondContact O-N 2.79Å; V102-S105 PolarHBondContact O-OG 3.44Å; V102-R106 WeakPolarHBondContact O-CG 3.34Å; V102-R106 PolarHBondContact O-N 3.43Å; V102-F143 HydrophobicContact CG1-CD2 3.9Å; V102-F143 HydrophobicContact CG1-CE2 4.46Å
103	A	58.5	Low	57.5	Low	52 Å²	52	63.5 Å²	63.5	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175	0	0	0	0	0	111.9	K99 E100 F101 R106 V107	K99-A103 PolarHBondContact O-N 2.78Å; E100-A103 WeakPolarHBondContact O-CB 3.1Å; E100-A103 PolarHBondContact O-N 3.27Å; E100-A103 VanDerWaalsContact O-N 3.14Å; F101-A103 PolarHBondContact O-N 3.42Å; A103-R106 WeakPolarHBondContact O-CB 3.48Å; A103-R106 PolarHBondContact O-N 3.26Å; A103-R106 VanDerWaalsContact O-N 3.17Å; A103-V107 PolarHBondContact O-N 2.85Å
104	L	59.4	Low	58.4	Low	33 Å²	33	57.8 Å²	57.8	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-36.9	177.2	-79.3	161.4	0	0	0	112.4	L91 C92 E95 E100 F101 R106 V107 T108	L91-L104 HydrophobicContact CB-CD2 3.97Å; C92-L104 HydrophobicContact CB-CB 4.38Å; E95-L104 HydrophobicContact CB-CD1 3.65Å; E95-L104 HydrophobicContact CG-CD1 3.66Å; E95-L104 WeakPolarHBondContact OE2-CD1 3.31Å; E100-L104 WeakPolarHBondContact O-CB 3.21Å; E100-L104 PolarHBondContact O-N 2.89Å; F101-L104 PolarHBondContact O-N 2.75Å; L104-R106 PolarHBondContact O-N 2.89Å; L104-V107 WeakPolarHBondContact O-CA 3.25Å; L104-V107 WeakPolarHBondContact O-CB 3.34Å; L104-V107 PolarHBondContact O-N 3.48Å; L104-T108 WeakPolarHBondContact O-CG2 3.37Å; L104-T108 PolarHBondContact O-N 3.37Å
105	S	59.8	Low	59.1	Low	6 Å²	6	52.8 Å²	52.8	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-31.2	173.9	78	0	0	0	0	112.3	F101 V102 T108 Q109 N169	F101-S105 WeakPolarHBondContact O-CB 3.34Å; F101-S105 PolarHBondContact O-N 3.24Å; V102-S105 PolarHBondContact O-N 2.79Å; V102-S105 PolarHBondContact O-OG 3.44Å; S105-T108 WeakPolarHBondContact CA-OG1 3.01Å; S105-T108 PolarHBondContact O-OG1 3.43Å; S105-Q109 WeakPolarHBondContact O-CB 3.44Å; S105-Q109 VanDerWaalsContact O-CD 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.23Å; S105-Q109 PolarHBondContact O-N 2.96Å; S105-Q109 PolarHBondContact O-OE1 2.96Å; S105-N169 PolarHBondContact OG-ND2 3.38Å
106	R	65	Low	59.3	Low	30 Å²	30	51.4 Å²	51.4	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-70.6	-36.2	173.2	-67.2	171.7	175.4	-169.6	-6	111.5	V102 A103 L104 Q109 L110 G139	V102-R106 WeakPolarHBondContact O-CG 3.34Å; V102-R106 PolarHBondContact O-N 3.43Å; A103-R106 WeakPolarHBondContact O-CB 3.48Å; A103-R106 PolarHBondContact O-N 3.26Å; A103-R106 VanDerWaalsContact O-N 3.17Å; L104-R106 PolarHBondContact O-N 2.89Å; R106-Q109 PolarHBondContact O-N 2.92Å; R106-L110 WeakPolarHBondContact O-CB 3.5Å; R106-L110 PolarHBondContact O-N 2.66Å; R106-G139 PolarHBondContact NH2-O 2.7Å; R106-G139 VanDerWaalsContact NH2-O 3.07Å
107	V	61.9	Low	59.8	Low	75 Å²	75	45.9 Å²	45.9	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-66.5	-43.7	175.2	179.2	0	0	0	0	110.7	A103 L104 Q109 L110 T111	A103-V107 PolarHBondContact O-N 2.85Å; L104-V107 WeakPolarHBondContact O-CA 3.25Å; L104-V107 WeakPolarHBondContact O-CB 3.34Å; L104-V107 PolarHBondContact O-N 3.48Å; V107-Q109 VanDerWaalsContact C-N 3.3Å; V107-Q109 PolarHBondContact O-N 3.44Å; V107-L110 PolarHBondContact O-N 2.82Å; V107-T111 WeakPolarHBondContact O-CG2 3.43Å; V107-T111 PolarHBondContact O-N 3.34Å; V107-T111 PolarHBondContact O-OG1 3.05Å
108	T	61.6	Low	60	Low	20 Å²	20	42.2 Å²	42.2	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-37.6	175.8	60.2	0	0	0	0	112.2	S88 C92 L104 S105 T111 I112	S88-T108 WeakPolarHBondContact O-CG2 3.22Å; S88-T108 WeakPolarHBondContact OG-CA 3.44Å; S88-T108 WeakPolarHBondContact OG-CG2 3.42Å; C92-T108 HydrophobicContact CB-CG2 4.11Å; L104-T108 WeakPolarHBondContact O-CG2 3.37Å; L104-T108 PolarHBondContact O-N 3.37Å; S105-T108 WeakPolarHBondContact CA-OG1 3.01Å; S105-T108 PolarHBondContact O-OG1 3.43Å; T108-T111 WeakPolarHBondContact CA-OG1 3.38Å; T108-T111 PolarHBondContact O-N 3Å; T108-T111 PolarHBondContact O-OG1 3.03Å; T108-I112 VanDerWaalsContact O-CG1 3.27Å; T108-I112 WeakPolarHBondContact O-CG1 3Å; T108-I112 PolarHBondContact O-N 3.38Å
109	Q	63.4	Low	60.3	Low	21 Å²	21	45.7 Å²	45.7	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-32.9	178.3	-71.1	165.3	-36.9	0	0	111.6	S105 R106 V107 L113 H135 N169	S105-Q109 WeakPolarHBondContact O-CB 3.44Å; S105-Q109 VanDerWaalsContact O-CD 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.23Å; S105-Q109 PolarHBondContact O-N 2.96Å; S105-Q109 PolarHBondContact O-OE1 2.96Å; R106-Q109 PolarHBondContact O-N 2.92Å; V107-Q109 VanDerWaalsContact C-N 3.3Å; V107-Q109 PolarHBondContact O-N 3.44Å; Q109-L113 WeakPolarHBondContact O-CB 3.07Å; Q109-L113 PolarHBondContact O-N 3.3Å; Q109-H135 WeakPolarHBondContact CB-NE2 3.45Å; Q109-H135 PolarHBondContact OE1-CE1 3.42Å; Q109-H135 PolarHBondContact OE1-NE2 2.87Å; Q109-N169 PolarHBondContact NE2-OD1 2.82Å
110	L	62.8	Low	60.1	Low	37 Å²	37	42.1 Å²	42.1	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-37.6	171.1	-177	61.7	0	0	0	112.3	L55 R106 V107 L113 L114	L55-L110 HydrophobicContact CD1-CB 4.18Å; L55-L110 HydrophobicContact CD1-CD1 3.94Å; L55-L110 HydrophobicContact CD1-CD2 4.48Å; L55-L110 HydrophobicContact CD1-CG 4.42Å; R106-L110 WeakPolarHBondContact O-CB 3.5Å; R106-L110 PolarHBondContact O-N 2.66Å; V107-L110 PolarHBondContact O-N 2.82Å; L110-L113 HydrophobicContact CD1-CD2 4.1Å; L110-L113 WeakPolarHBondContact O-CB 3.48Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 PolarHBondContact O-N 3.46Å
111	T	63.1	Low	60	Low	15 Å²	15	42 Å²	42	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-36.9	175.1	56	0	0	0	0	111.7	L84 S88 V107 T108 L114 A115	L84-T111 HydrophobicContact CB-CG2 4.18Å; S88-T111 PolarHBondContact OG-OG1 3.12Å; V107-T111 WeakPolarHBondContact O-CG2 3.43Å; V107-T111 PolarHBondContact O-N 3.34Å; V107-T111 PolarHBondContact O-OG1 3.05Å; T108-T111 WeakPolarHBondContact CA-OG1 3.38Å; T108-T111 PolarHBondContact O-N 3Å; T108-T111 PolarHBondContact O-OG1 3.03Å; T111-L114 WeakPolarHBondContact O-CB 3.32Å; T111-L114 PolarHBondContact O-N 2.93Å; T111-A115 WeakPolarHBondContact O-CB 3.41Å; T111-A115 PolarHBondContact O-N 3.32Å
112	I	63.2	Low	59.6	Low	65 Å²	65	46.9 Å²	46.9	33%	0.333	25%	0.25	S	C	.	.	H	α-helix	trans	-63.3	-43.6	171	-67.7	164.6	0	0	0	110.5	V85 T108 L114 A115 L116	V85-I112 HydrophobicContact CG1-CG1 4.26Å; V85-I112 HydrophobicContact CG2-CG1 4.31Å; T108-I112 VanDerWaalsContact O-CG1 3.27Å; T108-I112 WeakPolarHBondContact O-CG1 3Å; T108-I112 PolarHBondContact O-N 3.38Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.02Å; I112-A115 WeakPolarHBondContact O-CB 3.2Å; I112-A115 PolarHBondContact O-N 2.8Å; I112-A115 VanDerWaalsContact O-N 3.09Å; I112-L116 HydrophobicContact CG2-CD1 4.08Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.13Å; I112-L116 PolarHBondContact O-N 3.41Å
113	L	62.8	Low	59.2	Low	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-42.3	175.5	-172.9	76.3	0	0	0	111.6	Q109 L110 A115 L116 L117 L128 I132	Q109-L113 WeakPolarHBondContact O-CB 3.07Å; Q109-L113 PolarHBondContact O-N 3.3Å; L110-L113 HydrophobicContact CD1-CD2 4.1Å; L110-L113 WeakPolarHBondContact O-CB 3.48Å; L110-L113 PolarHBondContact O-N 2.93Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-L116 PolarHBondContact O-N 2.94Å; L113-L117 WeakPolarHBondContact O-CB 3.45Å; L113-L117 PolarHBondContact O-N 2.98Å; L113-L128 HydrophobicContact CD1-CD1 3.68Å; L113-L128 HydrophobicContact CD1-CG 3.93Å; L113-L128 HydrophobicContact CD2-CD1 4.33Å; L113-L128 HydrophobicContact CG-CD1 3.75Å; L113-L128 HydrophobicContact CG-CG 4.4Å; L113-I132 HydrophobicContact CD1-CG1 4Å; L113-I132 HydrophobicContact CD2-CD1 3.92Å; L113-I132 HydrophobicContact CD2-CG1 3.41Å; L113-I132 VanDerWaalsContact CD2-CG1 3.41Å; L113-I132 HydrophobicContact CG-CG1 4.31Å
114	L	62	Low	59	Low	31 Å²	31	50.2 Å²	50.2	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-39	173.8	-177.4	58.1	0	0	0	112	M62 T81 L84 L110 T111 I112 L116 L117 V118	M62-L114 HydrophobicContact CE-CD1 3.21Å; M62-L114 HydrophobicContact CE-CD2 3.7Å; M62-L114 HydrophobicContact CE-CG 3.99Å; M62-L114 HydrophobicContact SD-CD1 3.84Å; T81-L114 HydrophobicContact CG2-CB 4.16Å; T81-L114 HydrophobicContact CG2-CD2 4.25Å; T81-L114 HydrophobicContact CG2-CG 3.93Å; L84-L114 HydrophobicContact CD1-CD2 4.42Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 PolarHBondContact O-N 3.46Å; T111-L114 WeakPolarHBondContact O-CB 3.32Å; T111-L114 PolarHBondContact O-N 2.93Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.02Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 PolarHBondContact O-N 3.41Å; L114-L117 PolarHBondContact O-N 3.44Å; L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 2.97Å
115	A	61.1	Low	58.7	Low	31 Å²	31	51.8 Å²	51.8	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-43.4	178.1	0	0	0	0	0	111	T81 V85 T111 I112 L113 L117 V118 R119	T81-A115 HydrophobicContact CG2-CB 3.54Å; T81-A115 VanDerWaalsContact CG2-N 3.28Å; V85-A115 HydrophobicContact CG2-CB 4.2Å; T111-A115 WeakPolarHBondContact O-CB 3.41Å; T111-A115 PolarHBondContact O-N 3.32Å; I112-A115 WeakPolarHBondContact O-CB 3.2Å; I112-A115 PolarHBondContact O-N 2.8Å; I112-A115 VanDerWaalsContact O-N 3.09Å; L113-A115 VanDerWaalsContact C-N 3.34Å; A115-L117 VanDerWaalsContact C-N 3.31Å; A115-V118 PolarHBondContact O-N 3.36Å; A115-R119 PolarHBondContact O-N 2.58Å
116	L	58.9	Low	58.2	Low	25 Å²	25	55.3 Å²	55.3	13%	0.131	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-40.2	177.3	-69	170.9	0	0	0	110.7	I112 L113 L114 V118 R119 F124 L184	I112-L116 HydrophobicContact CG2-CD1 4.08Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.13Å; I112-L116 PolarHBondContact O-N 3.41Å; L113-L116 PolarHBondContact O-N 2.94Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 PolarHBondContact O-N 3.41Å; L116-V118 PolarHBondContact O-N 2.9Å; L116-R119 PolarHBondContact O-N 2.96Å; L116-F124 HydrophobicContact CB-CE2 3.65Å; L116-F124 HydrophobicContact CB-CZ 3.4Å; L116-F124 WeakPolarHBondContact O-CE2 3.45Å; L116-F124 WeakPolarHBondContact O-CZ 3.26Å; L116-L184 HydrophobicContact CD1-CD1 3.57Å; L116-L184 HydrophobicContact CD1-CD2 3.68Å; L116-L184 HydrophobicContact CD1-CG 4.28Å; L116-L184 HydrophobicContact CD2-CD2 3.65Å; L116-L184 HydrophobicContact CG-CD2 4.27Å
117	L	59.1	Low	57.6	Low	12 Å²	12	58 Å²	58	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-31.3	179.9	-167	153.9	0	0	0	113.3	M62 Q63 N66 L113 L114 A115 F124 L128	M62-L117 HydrophobicContact CB-CD1 4.39Å; Q63-L117 HydrophobicContact CB-CD1 4.48Å; N66-L117 HydrophobicContact CB-CD2 3.46Å; N66-L117 VanDerWaalsContact CB-CD2 3.46Å; N66-L117 WeakPolarHBondContact ND2-CD2 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.45Å; L113-L117 PolarHBondContact O-N 2.98Å; L114-L117 PolarHBondContact O-N 3.44Å; A115-L117 VanDerWaalsContact C-N 3.31Å; L117-F124 VanDerWaalsContact CA-CZ 3.47Å; L117-F124 HydrophobicContact CB-CE1 3.65Å; L117-F124 HydrophobicContact CB-CZ 4.18Å; L117-F124 HydrophobicContact CG-CD1 4.46Å; L117-F124 HydrophobicContact CG-CE1 3.97Å; L117-L128 HydrophobicContact CB-CD1 3.98Å; L117-L128 HydrophobicContact CD1-CD1 3.6Å; L117-L128 HydrophobicContact CD1-CD2 4.45Å; L117-L128 HydrophobicContact CG-CD1 4.14Å
118	V	58.4	Low	57.3	Low	17 Å²	17	54.5 Å²	54.5	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-79.9	-19.1	176.3	175.9	0	0	0	0	112.7	R77 I78 L114 A115 L116	R77-V118 HydrophobicContact CB-CG1 3.72Å; R77-V118 HydrophobicContact CB-CG2 4.44Å; I78-V118 HydrophobicContact CG1-CG1 3.73Å; L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 2.97Å; A115-V118 PolarHBondContact O-N 3.36Å; L116-V118 PolarHBondContact O-N 2.9Å
119	R	55.3	Low	57	Low	133 Å²	133	54.1 Å²	54.1	50%	0.502	26%	0.264	S	S	.	.	H	α-helix	trans	-86.7	-30.1	-164.2	-167.9	171.6	176.5	-175	-2.3	115.3	A115 L116	A115-R119 PolarHBondContact O-N 2.58Å; L116-R119 PolarHBondContact O-N 2.96Å
120	D	53.8	Low	56.5	Low	81 Å²	81	56.6 Å²	56.6	43%	0.433	28%	0.275	S	S	.	.			trans	-157.8	130.6	179.3	-91.3	-47.5	0	0	0	113.4	F124	D120-F124 VanDerWaalsContact O-CB 3.23Å; D120-F124 WeakPolarHBondContact O-CB 3.34Å
121	H	52.5	Low	56.3	Low	97 Å²	97	55.4 Å²	55.4	45%	0.449	27%	0.269	S	S	.	.	S	Bend	trans	-88.7	-13.6	-171.6	-75.8	-68.3	0	0	0	115.4
122	L	48.4	Very low	56.2	Low	152 Å²	152	55.4 Å²	55.4	80%	0.796	27%	0.269	S	S	*	.	S	Bend	trans	-102.4	-17.8	-159.5	-70.6	168.3	0	0	0	116.2
123	H	53	Low	55.9	Low	129 Å²	129	52.9 Å²	52.9	60%	0.597	26%	0.256	S	S	*	.	S	Bend	trans	-136.7	21.5	-178.6	-65.8	-51	0	0	0	113.6
124	F	53.2	Low	55.5	Low	33 Å²	33	53.9 Å²	53.9	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-93.6	-27.7	-157.9	-160.3	-101.8	0	0	0	114.3	L116 L117 D120 N126 R127 L128	L116-F124 HydrophobicContact CB-CE2 3.65Å; L116-F124 HydrophobicContact CB-CZ 3.4Å; L116-F124 WeakPolarHBondContact O-CE2 3.45Å; L116-F124 WeakPolarHBondContact O-CZ 3.26Å; L117-F124 VanDerWaalsContact CA-CZ 3.47Å; L117-F124 HydrophobicContact CB-CE1 3.65Å; L117-F124 HydrophobicContact CB-CZ 4.18Å; L117-F124 HydrophobicContact CG-CD1 4.46Å; L117-F124 HydrophobicContact CG-CE1 3.97Å; D120-F124 VanDerWaalsContact O-CB 3.23Å; D120-F124 WeakPolarHBondContact O-CB 3.34Å; F124-N126 PolarHBondContact O-N 3.41Å; F124-R127 PolarHBondContact O-N 3.4Å; F124-L128 HydrophobicContact CD1-CB 3.88Å; F124-L128 HydrophobicContact CD1-CD1 4.26Å; F124-L128 HydrophobicContact CE1-CB 3.5Å; F124-L128 HydrophobicContact CE1-CD1 3.3Å; F124-L128 HydrophobicContact CE1-CG 3.95Å; F124-L128 HydrophobicContact CZ-CB 4.03Å; F124-L128 HydrophobicContact CZ-CD1 3.89Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.49Å
125	E	54.2	Low	55.4	Low	66 Å²	66	53.1 Å²	53.1	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-50.2	-172.4	-60.6	-170	151.9	0	0	112.1	I17 R127 I129	I17-E125 WeakPolarHBondContact CD1-OE2 3.01Å; E125-R127 PolarHBondContact O-N 2.95Å; E125-I129 WeakPolarHBondContact O-CB 3.27Å; E125-I129 VanDerWaalsContact O-CD1 3.23Å; E125-I129 WeakPolarHBondContact O-CD1 3.34Å; E125-I129 WeakPolarHBondContact O-CG1 3.46Å; E125-I129 PolarHBondContact O-N 3.23Å; E125-I129 VanDerWaalsContact O-N 3.07Å
126	N	48.3	Very low	55.1	Low	80 Å²	80	52.3 Å²	52.3	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-43.6	179.3	-61.6	6.4	0	0	0	110.4	M20 F124 I129 F130	M20-N126 HydrophobicContact CE-CB 4.2Å; M20-N126 WeakPolarHBondContact CE-OD1 3.39Å; M20-N126 HydrophobicContact SD-CB 4.46Å; F124-N126 PolarHBondContact O-N 3.41Å; N126-I129 PolarHBondContact O-N 3.06Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 WeakPolarHBondContact O-CD2 3.28Å; N126-F130 PolarHBondContact O-N 2.78Å
127	R	52.9	Low	54.7	Low	87 Å²	87	53.2 Å²	53.2	33%	0.328	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-39	-173.9	-62.7	-177.5	-173.9	-178.2	3.5	112.8	F124 E125 S131 T187	F124-R127 PolarHBondContact O-N 3.4Å; E125-R127 PolarHBondContact O-N 2.95Å; R127-S131 VanDerWaalsContact O-CB 3.31Å; R127-S131 WeakPolarHBondContact O-CB 3.28Å; R127-S131 PolarHBondContact O-N 3.32Å; R127-T187 PolarHBondContact NH1-O 3.28Å; R127-T187 PolarHBondContact NH1-OG1 2.86Å
128	L	56.1	Low	54.6	Low	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-44.4	173.3	178.5	119.5	0	0	0	110.6	Q63 L113 L117 F124 F130 S131 I132	Q63-L128 HydrophobicContact CB-CD2 4.3Å; Q63-L128 HydrophobicContact CG-CD2 4.3Å; L113-L128 HydrophobicContact CD1-CD1 3.68Å; L113-L128 HydrophobicContact CD1-CG 3.93Å; L113-L128 HydrophobicContact CD2-CD1 4.33Å; L113-L128 HydrophobicContact CG-CD1 3.75Å; L113-L128 HydrophobicContact CG-CG 4.4Å; L117-L128 HydrophobicContact CB-CD1 3.98Å; L117-L128 HydrophobicContact CD1-CD1 3.6Å; L117-L128 HydrophobicContact CD1-CD2 4.45Å; L117-L128 HydrophobicContact CG-CD1 4.14Å; F124-L128 HydrophobicContact CD1-CB 3.88Å; F124-L128 HydrophobicContact CD1-CD1 4.26Å; F124-L128 HydrophobicContact CE1-CB 3.5Å; F124-L128 HydrophobicContact CE1-CD1 3.3Å; F124-L128 HydrophobicContact CE1-CG 3.95Å; F124-L128 HydrophobicContact CZ-CB 4.03Å; F124-L128 HydrophobicContact CZ-CD1 3.89Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.49Å; L128-F130 PolarHBondContact O-N 3.38Å; L128-S131 CarbonylContact O-C 3.6Å; L128-S131 WeakPolarHBondContact O-CA 3.37Å; L128-S131 WeakPolarHBondContact O-CB 3.16Å; L128-S131 PolarHBondContact O-N 2.95Å; L128-S131 VanDerWaalsContact O-N 3.07Å; L128-I132 HydrophobicContact CD2-CD1 3.43Å; L128-I132 VanDerWaalsContact CD2-CD1 3.43Å; L128-I132 HydrophobicContact CD2-CG1 4.45Å; L128-I132 HydrophobicContact CG-CD1 3.8Å; L128-I132 HydrophobicContact CG-CG1 4.32Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.43Å
129	I	54.8	Low	54.6	Low	11 Å²	11	54.5 Å²	54.5	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-45.3	177.7	-67	164.7	0	0	0	110.3	M20 E125 N126 S131 I132 I133	M20-I129 HydrophobicContact CB-CG2 4.22Å; M20-I129 HydrophobicContact CE-CD1 4.06Å; M20-I129 HydrophobicContact SD-CG2 4.37Å; E125-I129 WeakPolarHBondContact O-CB 3.27Å; E125-I129 VanDerWaalsContact O-CD1 3.23Å; E125-I129 WeakPolarHBondContact O-CD1 3.34Å; E125-I129 WeakPolarHBondContact O-CG1 3.46Å; E125-I129 PolarHBondContact O-N 3.23Å; E125-I129 VanDerWaalsContact O-N 3.07Å; N126-I129 PolarHBondContact O-N 3.06Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 2.81Å; I129-I132 PolarHBondContact O-N 3.33Å; I129-I133 HydrophobicContact CG2-CD1 3.55Å; I129-I133 HydrophobicContact CG2-CG1 4.24Å; I129-I133 WeakPolarHBondContact O-CB 3.27Å; I129-I133 WeakPolarHBondContact O-CG1 3.36Å; I129-I133 PolarHBondContact O-N 3.41Å
130	F	52.6	Low	54.5	Low	73 Å²	73	49.3 Å²	49.3	32%	0.32	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-38.9	172	-90.4	-78.4	0	0	0	112.5	I11 N126 L128 S134	I11-F130 HydrophobicContact CB-CE1 3.49Å; I11-F130 VanDerWaalsContact CB-CE1 3.49Å; I11-F130 HydrophobicContact CB-CZ 3.59Å; I11-F130 HydrophobicContact CD1-CD1 4.33Å; I11-F130 HydrophobicContact CD1-CE1 3.8Å; I11-F130 HydrophobicContact CG1-CE1 4.2Å; I11-F130 HydrophobicContact CG2-CD1 3.99Å; I11-F130 HydrophobicContact CG2-CE1 3.12Å; I11-F130 HydrophobicContact CG2-CE2 3.74Å; I11-F130 HydrophobicContact CG2-CZ 2.98Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 WeakPolarHBondContact O-CD2 3.28Å; N126-F130 PolarHBondContact O-N 2.78Å; L128-F130 PolarHBondContact O-N 3.38Å; F130-S134 WeakPolarHBondContact O-CB 3.48Å; F130-S134 PolarHBondContact O-N 2.91Å; F130-S134 PolarHBondContact O-OG 2.86Å
131	S	59	Low	54.4	Low	12 Å²	12	48.7 Å²	48.7	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-45.7	177.3	-167.4	0	0	0	0	111.7	R127 L128 I129 S134 H135	R127-S131 VanDerWaalsContact O-CB 3.31Å; R127-S131 WeakPolarHBondContact O-CB 3.28Å; R127-S131 PolarHBondContact O-N 3.32Å; L128-S131 CarbonylContact O-C 3.6Å; L128-S131 WeakPolarHBondContact O-CA 3.37Å; L128-S131 WeakPolarHBondContact O-CB 3.16Å; L128-S131 PolarHBondContact O-N 2.95Å; L128-S131 VanDerWaalsContact O-N 3.07Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 2.81Å; S131-S134 PolarHBondContact O-OG 3.32Å; S131-S134 VanDerWaalsContact O-OG 3.11Å; S131-H135 WeakPolarHBondContact O-CB 3.45Å; S131-H135 PolarHBondContact O-N 3.13Å
132	I	61	Low	54.5	Low	15 Å²	15	45 Å²	45	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-47.6	176	-68.5	167.6	0	0	0	110.5	L113 L128 I129 H135 G136	L113-I132 HydrophobicContact CD1-CG1 4Å; L113-I132 HydrophobicContact CD2-CD1 3.92Å; L113-I132 HydrophobicContact CD2-CG1 3.41Å; L113-I132 VanDerWaalsContact CD2-CG1 3.41Å; L113-I132 HydrophobicContact CG-CG1 4.31Å; L128-I132 HydrophobicContact CD2-CD1 3.43Å; L128-I132 VanDerWaalsContact CD2-CD1 3.43Å; L128-I132 HydrophobicContact CD2-CG1 4.45Å; L128-I132 HydrophobicContact CG-CD1 3.8Å; L128-I132 HydrophobicContact CG-CG1 4.32Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.43Å; I129-I132 PolarHBondContact O-N 3.33Å; I132-H135 PolarHBondContact O-N 2.92Å; I132-G136 PolarHBondContact O-N 2.88Å
133	I	56	Low	55	Low	13 Å²	13	39.4 Å²	39.4	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-49.4	-178.6	-69.6	170.1	0	0	0	110.9	T24 L27 I129 H135 G136 L137	T24-I133 HydrophobicContact CG2-CG1 4.33Å; T24-I133 WeakPolarHBondContact OG1-CD1 3.47Å; L27-I133 HydrophobicContact CD1-CG2 3.51Å; I129-I133 HydrophobicContact CG2-CD1 3.55Å; I129-I133 HydrophobicContact CG2-CG1 4.24Å; I129-I133 WeakPolarHBondContact O-CB 3.27Å; I129-I133 WeakPolarHBondContact O-CG1 3.36Å; I129-I133 PolarHBondContact O-N 3.41Å; I133-H135 VanDerWaalsContact C-N 3.29Å; I133-H135 PolarHBondContact O-N 3.48Å; I133-G136 PolarHBondContact O-N 3.08Å; I133-L137 HydrophobicContact CG2-CD1 3.74Å; I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 WeakPolarHBondContact O-CG 3.37Å; I133-L137 PolarHBondContact O-N 2.83Å
134	S	55.1	Low	55.1	Low	33 Å²	33	37.7 Å²	37.7	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-39.6	179.8	59.3	0	0	0	0	111.2	F130 S131 I138	F130-S134 WeakPolarHBondContact O-CB 3.48Å; F130-S134 PolarHBondContact O-N 2.91Å; F130-S134 PolarHBondContact O-OG 2.86Å; S131-S134 PolarHBondContact O-OG 3.32Å; S131-S134 VanDerWaalsContact O-OG 3.11Å; S134-I138 WeakPolarHBondContact O-CB 3.28Å; S134-I138 WeakPolarHBondContact O-CD1 3.46Å; S134-I138 WeakPolarHBondContact O-CG1 3.36Å; S134-I138 PolarHBondContact O-N 3.11Å
135	H	60	Low	55.2	Low	15 Å²	15	40 Å²	40	7%	0.069	21%	0.209	C	C	.	.	H	α-helix	trans	-69.8	-42.6	178.8	-171.3	-108.7	0	0	0	112.8	Q109 S131 I132 I133 G139 R180	Q109-H135 WeakPolarHBondContact CB-NE2 3.45Å; Q109-H135 PolarHBondContact OE1-CE1 3.42Å; Q109-H135 PolarHBondContact OE1-NE2 2.87Å; S131-H135 WeakPolarHBondContact O-CB 3.45Å; S131-H135 PolarHBondContact O-N 3.13Å; I132-H135 PolarHBondContact O-N 2.92Å; I133-H135 VanDerWaalsContact C-N 3.29Å; I133-H135 PolarHBondContact O-N 3.48Å; H135-G139 WeakPolarHBondContact O-CA 3.4Å; H135-G139 PolarHBondContact O-N 3.43Å; H135-R180 PolarHBondContact CD2-NH1 3.32Å
136	G	55.2	Low	55.3	Low	13 Å²	13	37.4 Å²	37.4	13%	0.134	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-45.7	174.3	0	0	0	0	0	112.2	I132 I133 N140	I132-G136 PolarHBondContact O-N 2.88Å; I133-G136 PolarHBondContact O-N 3.08Å; G136-N140 WeakPolarHBondContact O-CB 3.32Å; G136-N140 PolarHBondContact O-N 3.38Å; G136-N140 VanDerWaalsContact O-N 3.12Å; G136-N140 PolarHBondContact O-ND2 3.43Å
137	L	50.9	Low	55.7	Low	44 Å²	44	35.6 Å²	35.6	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-47.3	178.6	-79	167.3	0	0	0	112.5	L7 L27 T31 I133 S141	L7-L137 HydrophobicContact CD2-CD1 4.29Å; L27-L137 HydrophobicContact CD1-CD1 4.02Å; L27-L137 HydrophobicContact CD2-CD1 4.36Å; L27-L137 HydrophobicContact CD2-CD2 4.26Å; T31-L137 HydrophobicContact CG2-CD2 4.33Å; I133-L137 HydrophobicContact CG2-CD1 3.74Å; I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 WeakPolarHBondContact O-CG 3.37Å; I133-L137 PolarHBondContact O-N 2.83Å; L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.38Å; L137-S141 PolarHBondContact O-OG 2.84Å
138	I	55.4	Low	55.9	Low	44 Å²	44	36.8 Å²	36.8	23%	0.226	19%	0.194	C	C	.	.	H	α-helix	trans	-75.5	-43.6	-175.2	-61.4	169.5	0	0	0	110.5	S134 N140 S141 L142 F176	S134-I138 WeakPolarHBondContact O-CB 3.28Å; S134-I138 WeakPolarHBondContact O-CD1 3.46Å; S134-I138 WeakPolarHBondContact O-CG1 3.36Å; S134-I138 PolarHBondContact O-N 3.11Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.43Å; I138-S141 WeakPolarHBondContact CA-OG 3.39Å; I138-S141 PolarHBondContact O-N 3.49Å; I138-S141 PolarHBondContact O-OG 3.48Å; I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.25Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 VanDerWaalsContact O-CG 3.26Å; I138-L142 WeakPolarHBondContact O-CG 3.42Å; I138-L142 PolarHBondContact O-N 2.76Å; I138-F176 HydrophobicContact CD1-CB 3.67Å; I138-F176 HydrophobicContact CD1-CG 4.17Å
139	G	58.9	Low	55.7	Low	12 Å²	12	39 Å²	39	12%	0.124	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-32.4	178.2	0	0	0	0	0	113.5	R106 H135 F143	R106-G139 PolarHBondContact NH2-O 2.7Å; R106-G139 VanDerWaalsContact NH2-O 3.07Å; H135-G139 WeakPolarHBondContact O-CA 3.4Å; H135-G139 PolarHBondContact O-N 3.43Å; G139-F143 WeakPolarHBondContact O-CB 3.14Å; G139-F143 PolarHBondContact O-N 3.44Å
140	N	53.5	Low	55.8	Low	25 Å²	25	42 Å²	42	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-79.2	-41.1	175.9	-69.4	-23.6	0	0	0	112.4	C52 G136 I138 F143 F144	C52-N140 VanDerWaalsContact SG-CG 3.51Å; C52-N140 PolarHBondContact SG-ND2 3.37Å; C52-N140 PolarHBondContact SG-OD1 3.07Å; C52-N140 VanDerWaalsContact SG-OD1 3.37Å; G136-N140 WeakPolarHBondContact O-CB 3.32Å; G136-N140 PolarHBondContact O-N 3.38Å; G136-N140 VanDerWaalsContact O-N 3.12Å; G136-N140 PolarHBondContact O-ND2 3.43Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.43Å; N140-F143 PolarHBondContact O-N 3.24Å; N140-F144 PolarHBondContact O-N 2.83Å
141	S	52.3	Low	55.9	Low	68 Å²	68	43.1 Å²	43.1	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-38	176.7	53.4	0	0	0	0	112.6	L137 I138 F144 L145	L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.38Å; L137-S141 PolarHBondContact O-OG 2.84Å; I138-S141 WeakPolarHBondContact CA-OG 3.39Å; I138-S141 PolarHBondContact O-N 3.49Å; I138-S141 PolarHBondContact O-OG 3.48Å; S141-F144 PolarHBondContact O-N 3.26Å; S141-L145 WeakPolarHBondContact O-CB 3.26Å; S141-L145 PolarHBondContact O-N 2.91Å
142	L	54.7	Low	55.8	Low	19 Å²	19	46.4 Å²	46.4	10%	0.099	25%	0.25	C	C	.	.	H	α-helix	trans	-66.9	-38.1	174.5	-72.7	174.8	0	0	0	112.4	I138 L145 G146 T165 L168	I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.25Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 VanDerWaalsContact O-CG 3.26Å; I138-L142 WeakPolarHBondContact O-CG 3.42Å; I138-L142 PolarHBondContact O-N 2.76Å; L142-L145 PolarHBondContact O-N 2.82Å; L142-G146 PolarHBondContact O-N 2.89Å; L142-T165 HydrophobicContact CB-CG2 4.27Å; L142-T165 HydrophobicContact CD2-CG2 4.43Å; L142-L168 HydrophobicContact CD1-CB 4.35Å; L142-L168 HydrophobicContact CD2-CB 4.36Å; L142-L168 HydrophobicContact CD2-CD1 3.92Å
143	F	57.3	Low	55.5	Low	34 Å²	34	54 Å²	54	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-42.9	175.9	-170.3	-90.4	0	0	0	111.8	L44 I48 V102 G139 N140 Y147	L44-F143 HydrophobicContact CD1-CE1 3.97Å; L44-F143 HydrophobicContact CD1-CZ 3.78Å; L44-F143 HydrophobicContact CD2-CE1 3.67Å; L44-F143 HydrophobicContact CD2-CZ 4.35Å; L44-F143 HydrophobicContact CG-CE1 3.72Å; L44-F143 HydrophobicContact CG-CZ 3.99Å; I48-F143 HydrophobicContact CD1-CD1 3.53Å; I48-F143 HydrophobicContact CD1-CE1 3.44Å; I48-F143 VanDerWaalsContact CD1-CE1 3.44Å; I48-F143 HydrophobicContact CG1-CD1 3.41Å; I48-F143 VanDerWaalsContact CG1-CD1 3.41Å; I48-F143 HydrophobicContact CG1-CE1 3.25Å; I48-F143 HydrophobicContact CG1-CG 4.42Å; I48-F143 HydrophobicContact CG1-CZ 4.17Å; V102-F143 HydrophobicContact CG1-CD2 3.9Å; V102-F143 HydrophobicContact CG1-CE2 4.46Å; G139-F143 WeakPolarHBondContact O-CB 3.14Å; G139-F143 PolarHBondContact O-N 3.44Å; N140-F143 PolarHBondContact O-N 3.24Å; F143-Y147 VanDerWaalsContact O-CB 3.29Å; F143-Y147 WeakPolarHBondContact O-CB 3.11Å; F143-Y147 PolarHBondContact O-N 3.26Å
144	F	55.7	Low	55.5	Low	94 Å²	94	57.4 Å²	57.4	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.2	-172.4	-89.6	0	0	0	111.7	C38 N140 S141 F148	C38-F144 HydrophobicContact CB-CE2 3.74Å; C38-F144 WeakPolarHBondContact SG-CE2 3.18Å; N140-F144 PolarHBondContact O-N 2.83Å; S141-F144 PolarHBondContact O-N 3.26Å; F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.44Å; F144-F148 PolarHBondContact O-N 2.84Å
145	L	55.7	Low	55.2	Low	82 Å²	82	62.3 Å²	62.3	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-49.2	177.8	-174	71.9	0	0	0	111.7	S141 L142 Y147 F148 L149	S141-L145 WeakPolarHBondContact O-CB 3.26Å; S141-L145 PolarHBondContact O-N 2.91Å; L142-L145 PolarHBondContact O-N 2.82Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 3.41Å; L145-F148 PolarHBondContact O-N 3.04Å; L145-L149 HydrophobicContact CD1-CD1 3.97Å; L145-L149 HydrophobicContact CD2-CD1 4.46Å; L145-L149 HydrophobicContact CG-CD1 3.73Å; L145-L149 WeakPolarHBondContact O-CB 3.35Å; L145-L149 WeakPolarHBondContact O-CD1 3.48Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.07Å
146	G	56.8	Low	54.5	Low	10 Å²	10	70.7 Å²	70.7	10%	0.103	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-43.3	178.2	0	0	0	0	0	111.9	L142 L149 I150	L142-G146 PolarHBondContact O-N 2.89Å; G146-L149 PolarHBondContact O-N 3.22Å; G146-I150 WeakPolarHBondContact O-CD1 3.24Å; G146-I150 VanDerWaalsContact O-CG1 3.25Å; G146-I150 WeakPolarHBondContact O-CG1 3.49Å; G146-I150 PolarHBondContact O-N 2.79Å
147	Y	55.9	Low	54.1	Low	43 Å²	43	71.5 Å²	71.5	17%	0.169	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-44.9	177.5	-175.4	-94	0	0	0	112.9	T40 L44 F143 L145 L149 I150 L151	T40-Y147 VanDerWaalsContact CB-CE1 3.42Å; T40-Y147 HydrophobicContact CG2-CE1 3.95Å; T40-Y147 WeakPolarHBondContact OG1-CE1 3.29Å; L44-Y147 HydrophobicContact CD1-CD2 3.72Å; L44-Y147 HydrophobicContact CD1-CE2 3.75Å; L44-Y147 HydrophobicContact CD2-CD1 3.85Å; L44-Y147 HydrophobicContact CD2-CD2 3.39Å; L44-Y147 HydrophobicContact CD2-CE1 3.99Å; L44-Y147 HydrophobicContact CD2-CE2 3.53Å; L44-Y147 HydrophobicContact CD2-CG 3.54Å; L44-Y147 HydrophobicContact CG-CD2 4.19Å; L44-Y147 HydrophobicContact CG-CE2 4.16Å; F143-Y147 VanDerWaalsContact O-CB 3.29Å; F143-Y147 WeakPolarHBondContact O-CB 3.11Å; F143-Y147 PolarHBondContact O-N 3.26Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 3.41Å; Y147-L149 PolarHBondContact O-N 2.88Å; Y147-I150 PolarHBondContact O-N 2.97Å; Y147-L151 HydrophobicContact CE1-CD1 3.57Å; Y147-L151 WeakPolarHBondContact O-CB 3.26Å; Y147-L151 PolarHBondContact O-N 3.26Å; Y147-L151 WeakPolarHBondContact OH-CD1 3.24Å
148	F	56.6	Low	54.1	Low	111 Å²	111	72.5 Å²	72.5	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-58.6	-38.2	176.4	-174.4	-98.7	0	0	0	111.5	F144 L145 L151 V152	F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.44Å; F144-F148 PolarHBondContact O-N 2.84Å; L145-F148 PolarHBondContact O-N 3.04Å; F148-L151 PolarHBondContact O-N 3.17Å; F148-V152 HydrophobicContact CD1-CG2 4Å; F148-V152 HydrophobicContact CD2-CG2 4.46Å; F148-V152 HydrophobicContact CE1-CG2 3.66Å; F148-V152 HydrophobicContact CE2-CG2 4.15Å; F148-V152 HydrophobicContact CG-CG2 4.39Å; F148-V152 HydrophobicContact CZ-CG2 3.74Å; F148-V152 WeakPolarHBondContact O-CB 3.39Å; F148-V152 VanDerWaalsContact O-CG2 3.25Å; F148-V152 WeakPolarHBondContact O-CG2 3.34Å; F148-V152 PolarHBondContact O-N 2.8Å
149	L	52.2	Low	54.1	Low	47 Å²	47	76.1 Å²	76.1	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-73.3	-37.4	180	-72.8	163.4	0	0	0	113.1	L145 G146 Y147 L151 R153 I161	L145-L149 HydrophobicContact CD1-CD1 3.97Å; L145-L149 HydrophobicContact CD2-CD1 4.46Å; L145-L149 HydrophobicContact CG-CD1 3.73Å; L145-L149 WeakPolarHBondContact O-CB 3.35Å; L145-L149 WeakPolarHBondContact O-CD1 3.48Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.07Å; G146-L149 PolarHBondContact O-N 3.22Å; Y147-L149 PolarHBondContact O-N 2.88Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.43Å; L149-R153 PolarHBondContact O-N 3.3Å; L149-I161 HydrophobicContact CB-CD1 3.93Å; L149-I161 HydrophobicContact CB-CG2 4.06Å; L149-I161 HydrophobicContact CD1-CB 4.16Å; L149-I161 HydrophobicContact CD1-CD1 3.68Å; L149-I161 HydrophobicContact CD1-CG1 3.81Å; L149-I161 HydrophobicContact CD1-CG2 3.31Å; L149-I161 HydrophobicContact CD2-CD1 3.73Å; L149-I161 HydrophobicContact CG-CD1 3.95Å; L149-I161 HydrophobicContact CG-CG2 4.26Å
150	I	56.4	Low	53.8	Low	75 Å²	75	80.9 Å²	80.9	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-38.3	170.3	-68.1	162.9	0	0	0	110.6	G146 Y147	G146-I150 WeakPolarHBondContact O-CD1 3.24Å; G146-I150 VanDerWaalsContact O-CG1 3.25Å; G146-I150 WeakPolarHBondContact O-CG1 3.49Å; G146-I150 PolarHBondContact O-N 2.79Å; Y147-I150 PolarHBondContact O-N 2.97Å
151	L	55.6	Low	53.8	Low	96 Å²	96	81 Å²	81	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-77.4	-33.5	-176.9	-154.8	129	0	0	0	113.3	T40 Y147 F148 L149	T40-L151 HydrophobicContact CG2-CD1 3.7Å; T40-L151 HydrophobicContact CG2-CD2 4.26Å; Y147-L151 HydrophobicContact CE1-CD1 3.57Å; Y147-L151 WeakPolarHBondContact O-CB 3.26Å; Y147-L151 PolarHBondContact O-N 3.26Å; Y147-L151 WeakPolarHBondContact OH-CD1 3.24Å; F148-L151 PolarHBondContact O-N 3.17Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.43Å
152	V	56.9	Low	54	Low	82 Å²	82	80.6 Å²	80.6	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-80	-32.3	-178.1	168.9	0	0	0	0	112.7	F148	F148-V152 HydrophobicContact CD1-CG2 4Å; F148-V152 HydrophobicContact CD2-CG2 4.46Å; F148-V152 HydrophobicContact CE1-CG2 3.66Å; F148-V152 HydrophobicContact CE2-CG2 4.15Å; F148-V152 HydrophobicContact CG-CG2 4.39Å; F148-V152 HydrophobicContact CZ-CG2 3.74Å; F148-V152 WeakPolarHBondContact O-CB 3.39Å; F148-V152 VanDerWaalsContact O-CG2 3.25Å; F148-V152 WeakPolarHBondContact O-CG2 3.34Å; F148-V152 PolarHBondContact O-N 2.8Å
153	R	53.6	Low	54.1	Low	173 Å²	173	83.9 Å²	83.9	65%	0.653	42%	0.423	S	S	*	.			trans	-149	93.7	178.7	-88	-174.6	171.7	160	-3.4	111.4	L149 D155	L149-R153 PolarHBondContact O-N 3.3Å; R153-D155 PolarHBondContact O-N 2.74Å
154	P	56	Low	54.2	Low	85 Å²	85	86.2 Å²	86.2	55%	0.552	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.7	176.1	22.7	-31.2	0	0	0	113
155	D	49.6	Very low	54.5	Low	136 Å²	136	82.7 Å²	82.7	73%	0.727	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-5.5	-158.3	-65.6	-32.8	0	0	0	117.9	R153	R153-D155 PolarHBondContact O-N 2.74Å
156	F	44.5	Very low	54.7	Low	191 Å²	191	82.6 Å²	82.6	84%	0.838	42%	0.422	S	S	*	.	S	Bend	trans	-147	11.9	-169.2	-108	-85.4	0	0	0	119.1
157	S	48.5	Very low	54.7	Low	31 Å²	31	86.1 Å²	86.1	22%	0.217	44%	0.438	C	S	.	.			trans	-152.2	7.7	-176.8	66.2	0	0	0	0	117	N159 I160 I161	S157-N159 PolarHBondContact O-N 3Å; S157-I160 PolarHBondContact O-N 2.91Å; S157-I161 PolarHBondContact O-N 3.02Å; S157-I161 WeakPolarHBondContact OG-CD1 3.27Å
158	T	50.7	Low	54.8	Low	64 Å²	64	87 Å²	87	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-56.8	-34.4	-177.5	44.7	0	0	0	0	112.7	N162	T158-N162 WeakPolarHBondContact O-CB 3.38Å; T158-N162 PolarHBondContact O-N 3.01Å; T158-N162 VanDerWaalsContact O-N 3.16Å; T158-N162 PolarHBondContact O-ND2 2.86Å
159	N	54	Low	54.9	Low	120 Å²	120	83.1 Å²	83.1	64%	0.642	43%	0.43	S	S	*	.	H	α-helix	trans	-70.4	-48.6	176.4	-79.1	-20.1	0	0	0	113	S157 I161 I163	S157-N159 PolarHBondContact O-N 3Å; N159-I161 PolarHBondContact O-N 2.89Å; N159-I163 HydrophobicContact CB-CD1 4.31Å; N159-I163 WeakPolarHBondContact O-CB 3.41Å; N159-I163 WeakPolarHBondContact O-CD1 3.45Å; N159-I163 WeakPolarHBondContact O-CG1 3.45Å; N159-I163 PolarHBondContact O-N 3.11Å
160	I	54.3	Low	55.1	Low	112 Å²	112	84.8 Å²	84.8	57%	0.574	44%	0.442	S	S	*	.	H	α-helix	trans	-67.3	-40.8	-172.6	-62.1	175.3	0	0	0	110.9	S157 I163 I164	S157-I160 PolarHBondContact O-N 2.91Å; I160-I163 PolarHBondContact O-N 2.68Å; I160-I164 HydrophobicContact CG2-CD1 3.79Å; I160-I164 HydrophobicContact CG2-CG1 4.46Å; I160-I164 WeakPolarHBondContact O-CB 3.4Å; I160-I164 WeakPolarHBondContact O-CG1 3.41Å; I160-I164 PolarHBondContact O-N 3.18Å
161	I	53.5	Low	54.8	Low	29 Å²	29	81.8 Å²	81.8	15%	0.149	43%	0.43	C	S	.	.	H	α-helix	trans	-77.2	-38.8	-177.2	-71.4	151.4	0	0	0	111.3	L149 S157 N159 I163 I164 T165	L149-I161 HydrophobicContact CB-CD1 3.93Å; L149-I161 HydrophobicContact CB-CG2 4.06Å; L149-I161 HydrophobicContact CD1-CB 4.16Å; L149-I161 HydrophobicContact CD1-CD1 3.68Å; L149-I161 HydrophobicContact CD1-CG1 3.81Å; L149-I161 HydrophobicContact CD1-CG2 3.31Å; L149-I161 HydrophobicContact CD2-CD1 3.73Å; L149-I161 HydrophobicContact CG-CD1 3.95Å; L149-I161 HydrophobicContact CG-CG2 4.26Å; S157-I161 PolarHBondContact O-N 3.02Å; S157-I161 WeakPolarHBondContact OG-CD1 3.27Å; N159-I161 PolarHBondContact O-N 2.89Å; I161-I163 VanDerWaalsContact C-N 3.28Å; I161-I163 PolarHBondContact O-N 2.9Å; I161-I164 PolarHBondContact O-N 3.49Å; I161-T165 VanDerWaalsContact O-CB 3.27Å; I161-T165 WeakPolarHBondContact O-CB 3.46Å; I161-T165 PolarHBondContact O-N 3.39Å; I161-T165 PolarHBondContact O-OG1 3.2Å
162	N	56	Low	54.1	Low	58 Å²	58	78.3 Å²	78.3	31%	0.31	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-37.7	171.5	-72	-13.6	0	0	0	110.5	T158 T165 L166	T158-N162 WeakPolarHBondContact O-CB 3.38Å; T158-N162 PolarHBondContact O-N 3.01Å; T158-N162 VanDerWaalsContact O-N 3.16Å; T158-N162 PolarHBondContact O-ND2 2.86Å; N162-T165 PolarHBondContact O-N 3.33Å; N162-L166 WeakPolarHBondContact O-CB 3.32Å; N162-L166 PolarHBondContact O-N 2.7Å
163	I	56.6	Low	53.4	Low	89 Å²	89	79 Å²	79	46%	0.456	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-44.3	174.7	-71.3	163.4	0	0	0	111.3	N159 I160 I161 L166 L167	N159-I163 HydrophobicContact CB-CD1 4.31Å; N159-I163 WeakPolarHBondContact O-CB 3.41Å; N159-I163 WeakPolarHBondContact O-CD1 3.45Å; N159-I163 WeakPolarHBondContact O-CG1 3.45Å; N159-I163 PolarHBondContact O-N 3.11Å; I160-I163 PolarHBondContact O-N 2.68Å; I161-I163 VanDerWaalsContact C-N 3.28Å; I161-I163 PolarHBondContact O-N 2.9Å; I163-L166 PolarHBondContact O-N 3.28Å; I163-L167 HydrophobicContact CG2-CD1 3.7Å; I163-L167 VanDerWaalsContact O-CB 3.3Å; I163-L167 WeakPolarHBondContact O-CB 3.29Å; I163-L167 WeakPolarHBondContact O-CD1 3.42Å; I163-L167 WeakPolarHBondContact O-CG 3.15Å; I163-L167 PolarHBondContact O-N 3.24Å
164	I	59.8	Low	53.2	Low	82 Å²	82	77 Å²	77	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-40.8	176	-69.8	165.9	0	0	0	110.8	I160 I161 L167 L168	I160-I164 HydrophobicContact CG2-CD1 3.79Å; I160-I164 HydrophobicContact CG2-CG1 4.46Å; I160-I164 WeakPolarHBondContact O-CB 3.4Å; I160-I164 WeakPolarHBondContact O-CG1 3.41Å; I160-I164 PolarHBondContact O-N 3.18Å; I161-I164 PolarHBondContact O-N 3.49Å; I164-L167 PolarHBondContact O-N 2.77Å; I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.38Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 VanDerWaalsContact O-CG 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.41Å; I164-L168 PolarHBondContact O-N 3.41Å
165	T	61.7	Low	53.3	Low	21 Å²	21	73 Å²	73	13%	0.129	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-39.5	178	-53.6	0	0	0	0	111.1	L142 I161 N162 L168 N169	L142-T165 HydrophobicContact CB-CG2 4.27Å; L142-T165 HydrophobicContact CD2-CG2 4.43Å; I161-T165 VanDerWaalsContact O-CB 3.27Å; I161-T165 WeakPolarHBondContact O-CB 3.46Å; I161-T165 PolarHBondContact O-N 3.39Å; I161-T165 PolarHBondContact O-OG1 3.2Å; N162-T165 PolarHBondContact O-N 3.33Å; T165-L168 PolarHBondContact O-N 2.85Å; T165-N169 WeakPolarHBondContact O-CB 3.34Å; T165-N169 PolarHBondContact O-N 2.81Å; T165-N169 VanDerWaalsContact O-N 3.13Å
166	L	59.1	Low	53.5	Low	79 Å²	79	71.8 Å²	71.8	41%	0.414	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-52	172.9	-166.4	98.1	0	0	0	110.1	F101 N162 I163 L168 N169 T170	F101-L166 HydrophobicContact CE1-CD1 3.64Å; F101-L166 HydrophobicContact CZ-CD1 3.77Å; N162-L166 WeakPolarHBondContact O-CB 3.32Å; N162-L166 PolarHBondContact O-N 2.7Å; I163-L166 PolarHBondContact O-N 3.28Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.43Å; L166-N169 PolarHBondContact O-N 3.4Å; L166-N169 VanDerWaalsContact O-N 3.08Å; L166-T170 HydrophobicContact CG-CG2 4.07Å; L166-T170 WeakPolarHBondContact O-CB 3.4Å; L166-T170 VanDerWaalsContact O-CG2 3.28Å; L166-T170 WeakPolarHBondContact O-CG2 3.23Å; L166-T170 PolarHBondContact O-N 3.35Å; L166-T170 PolarHBondContact O-OG1 3.47Å
167	L	57.2	Low	54.1	Low	84 Å²	84	63.1 Å²	63.1	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-39.6	177.5	-83.7	157.8	0	0	0	112.7	I163 I164 N169 A172	I163-L167 HydrophobicContact CG2-CD1 3.7Å; I163-L167 VanDerWaalsContact O-CB 3.3Å; I163-L167 WeakPolarHBondContact O-CB 3.29Å; I163-L167 WeakPolarHBondContact O-CD1 3.42Å; I163-L167 WeakPolarHBondContact O-CG 3.15Å; I163-L167 PolarHBondContact O-N 3.24Å; I164-L167 PolarHBondContact O-N 2.77Å; L167-N169 VanDerWaalsContact C-N 3.34Å; L167-A172 HydrophobicContact CB-CB 4.46Å; L167-A172 HydrophobicContact CD2-CB 3.54Å; L167-A172 WeakPolarHBondContact O-CB 3.35Å; L167-A172 PolarHBondContact O-N 2.85Å
168	L	57.4	Low	54.3	Low	61 Å²	61	64.4 Å²	64.4	32%	0.319	36%	0.36	S	S	.	.	H	α-helix	trans	-73	-25.5	178.8	-72.7	171.3	0	0	0	113.1	L142 I164 T165 L166 S175	L142-L168 HydrophobicContact CD1-CB 4.35Å; L142-L168 HydrophobicContact CD2-CB 4.36Å; L142-L168 HydrophobicContact CD2-CD1 3.92Å; I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.38Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 VanDerWaalsContact O-CG 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.41Å; I164-L168 PolarHBondContact O-N 3.41Å; T165-L168 PolarHBondContact O-N 2.85Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.43Å; L168-S175 WeakPolarHBondContact O-CB 3.47Å
169	N	59.8	Low	54.5	Low	31 Å²	31	66.5 Å²	66.5	17%	0.166	37%	0.367	C	S	.	.	H	α-helix	trans	-96.7	-24.7	-177.4	-156.4	27.7	0	0	0	113.5	S105 Q109 T165 L166 L167 G171	S105-N169 PolarHBondContact OG-ND2 3.38Å; Q109-N169 PolarHBondContact NE2-OD1 2.82Å; T165-N169 WeakPolarHBondContact O-CB 3.34Å; T165-N169 PolarHBondContact O-N 2.81Å; T165-N169 VanDerWaalsContact O-N 3.13Å; L166-N169 PolarHBondContact O-N 3.4Å; L166-N169 VanDerWaalsContact O-N 3.08Å; L167-N169 VanDerWaalsContact C-N 3.34Å; N169-G171 VanDerWaalsContact C-N 3.3Å; N169-G171 PolarHBondContact O-N 2.77Å
170	T	55.2	Low	54.9	Low	82 Å²	82	63 Å²	63	50%	0.503	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.6	-178.6	54	0	0	0	0	114.6	L166 A172	L166-T170 HydrophobicContact CG-CG2 4.07Å; L166-T170 WeakPolarHBondContact O-CB 3.4Å; L166-T170 VanDerWaalsContact O-CG2 3.28Å; L166-T170 WeakPolarHBondContact O-CG2 3.23Å; L166-T170 PolarHBondContact O-N 3.35Å; L166-T170 PolarHBondContact O-OG1 3.47Å; T170-A172 VanDerWaalsContact C-N 3.31Å; T170-A172 PolarHBondContact O-N 3.17Å
171	G	49.9	Very low	55	Low	12 Å²	12	62 Å²	62	12%	0.124	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	18.8	-179.6	0	0	0	0	0	113.9	N169 S175 M178	N169-G171 VanDerWaalsContact C-N 3.3Å; N169-G171 PolarHBondContact O-N 2.77Å; G171-S175 VanDerWaalsContact C-OG 3.3Å; G171-S175 WeakPolarHBondContact CA-OG 3.48Å; G171-M178 VanDerWaalsContact O-CB 3.26Å; G171-M178 WeakPolarHBondContact O-CB 2.76Å
172	A	41.9	Very low	55.1	Low	23 Å²	23	64 Å²	64	19%	0.19	35%	0.348	C	S	.	.			trans	-69.3	142.9	175.9	0	0	0	0	0	111.1	L167 T170 S175	L167-A172 HydrophobicContact CB-CB 4.46Å; L167-A172 HydrophobicContact CD2-CB 3.54Å; L167-A172 WeakPolarHBondContact O-CB 3.35Å; L167-A172 PolarHBondContact O-N 2.85Å; T170-A172 VanDerWaalsContact C-N 3.31Å; T170-A172 PolarHBondContact O-N 3.17Å; A172-S175 PolarHBondContact N-OG 3.49Å; A172-S175 WeakPolarHBondContact O-CA 3.3Å; A172-S175 WeakPolarHBondContact O-CB 3.15Å; A172-S175 PolarHBondContact O-N 3.13Å; A172-S175 PolarHBondContact O-OG 3.36Å
173	P	42.3	Very low	55.3	Low	97 Å²	97	65.1 Å²	65.1	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	138.5	171.9	-9	19.6	0	0	0	111.6	M178	P173-M178 WeakPolarHBondContact CA-SD 3.3Å; P173-M178 HydrophobicContact CB-CE 3.99Å; P173-M178 HydrophobicContact CB-SD 3.39Å; P173-M178 WeakPolarHBondContact CB-SD 3.31Å; P173-M178 HydrophobicContact CG-CE 3.73Å; P173-M178 HydrophobicContact CG-SD 3.51Å; P173-M178 VanDerWaalsContact CG-SD 3.51Å
174	P	48.6	Very low	55.3	Low	130 Å²	130	62.3 Å²	62.3	84%	0.844	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	cis	-97.4	76.5	-7.2	36.9	-30.6	0	0	0	112
175	S	58.7	Low	55.1	Low	2 Å²	2	64.4 Å²	64.4	1%	0.014	35%	0.349	C	S	.	.			trans	-92.8	150.4	175.1	67.6	0	0	0	0	112.4	L168 G171 A172 A177 M178 M179	L168-S175 WeakPolarHBondContact O-CB 3.47Å; G171-S175 VanDerWaalsContact C-OG 3.3Å; G171-S175 WeakPolarHBondContact CA-OG 3.48Å; A172-S175 PolarHBondContact N-OG 3.49Å; A172-S175 WeakPolarHBondContact O-CA 3.3Å; A172-S175 WeakPolarHBondContact O-CB 3.15Å; A172-S175 PolarHBondContact O-N 3.13Å; A172-S175 PolarHBondContact O-OG 3.36Å; S175-A177 PolarHBondContact O-N 3.3Å; S175-M178 WeakPolarHBondContact O-CB 3.46Å; S175-M178 PolarHBondContact O-N 2.74Å; S175-M178 PolarHBondContact OG-N 3.46Å; S175-M179 PolarHBondContact O-N 3.32Å; S175-M179 VanDerWaalsContact O-N 3.08Å
176	F	55	Low	54.9	Low	109 Å²	109	67.1 Å²	67.1	48%	0.478	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-28.1	168.6	-78.9	-79.5	0	0	0	112.2	I138 M179 R180	I138-F176 HydrophobicContact CD1-CB 3.67Å; I138-F176 HydrophobicContact CD1-CG 4.17Å; F176-M179 HydrophobicContact CD1-CE 3.62Å; F176-M179 HydrophobicContact CE1-CE 3.65Å; F176-M179 PolarHBondContact O-N 3.09Å; F176-R180 VanDerWaalsContact O-CB 3.24Å; F176-R180 WeakPolarHBondContact O-CB 3.15Å; F176-R180 PolarHBondContact O-N 3.41Å
177	A	55.5	Low	54.7	Low	10 Å²	10	65.1 Å²	65.1	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-45.3	172.8	0	0	0	0	0	111	S175 R180 E181	S175-A177 PolarHBondContact O-N 3.3Å; A177-R180 PolarHBondContact O-N 3.02Å; A177-E181 WeakPolarHBondContact O-CB 3.4Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.38Å
178	M	54.2	Low	54.5	Low	58 Å²	58	62.5 Å²	62.5	29%	0.286	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-49.3	173.1	-169.3	-163.1	176.1	0	0	111.5	G171 P173 S175 R180 E181 I182	G171-M178 VanDerWaalsContact O-CB 3.26Å; G171-M178 WeakPolarHBondContact O-CB 2.76Å; P173-M178 WeakPolarHBondContact CA-SD 3.3Å; P173-M178 HydrophobicContact CB-CE 3.99Å; P173-M178 HydrophobicContact CB-SD 3.39Å; P173-M178 WeakPolarHBondContact CB-SD 3.31Å; P173-M178 HydrophobicContact CG-CE 3.73Å; P173-M178 HydrophobicContact CG-SD 3.51Å; P173-M178 VanDerWaalsContact CG-SD 3.51Å; S175-M178 WeakPolarHBondContact O-CB 3.46Å; S175-M178 PolarHBondContact O-N 2.74Å; S175-M178 PolarHBondContact OG-N 3.46Å; M178-R180 VanDerWaalsContact C-N 3.26Å; M178-R180 PolarHBondContact O-N 3.18Å; M178-E181 PolarHBondContact O-N 3.28Å; M178-I182 HydrophobicContact CE-CD1 3.41Å; M178-I182 VanDerWaalsContact CE-CD1 3.41Å; M178-I182 HydrophobicContact CG-CD1 3.65Å; M178-I182 HydrophobicContact CG-CG1 4.29Å; M178-I182 VanDerWaalsContact O-CB 3.32Å; M178-I182 WeakPolarHBondContact O-CB 3.14Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.25Å; M178-I182 PolarHBondContact O-N 2.99Å; M178-I182 HydrophobicContact SD-CD1 4.11Å
179	M	55	Low	54.2	Low	107 Å²	107	63.7 Å²	63.7	53%	0.527	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-37.9	179.5	-70.9	-149.9	-60.4	0	0	111.7	S175 F176 T183	S175-M179 PolarHBondContact O-N 3.32Å; S175-M179 VanDerWaalsContact O-N 3.08Å; F176-M179 HydrophobicContact CD1-CE 3.62Å; F176-M179 HydrophobicContact CE1-CE 3.65Å; F176-M179 PolarHBondContact O-N 3.09Å; M179-T183 WeakPolarHBondContact O-CB 3.33Å; M179-T183 PolarHBondContact O-N 2.97Å; M179-T183 PolarHBondContact O-OG1 3.27Å
180	R	60.8	Low	53.5	Low	46 Å²	46	66.8 Å²	66.8	17%	0.174	36%	0.36	C	S	.	.	H	α-helix	trans	-65.6	-47.8	175.3	-177.5	-171.3	67.6	-179.9	-0.7	111.1	H135 F176 A177 M178 T183 L184	H135-R180 PolarHBondContact CD2-NH1 3.32Å; F176-R180 VanDerWaalsContact O-CB 3.24Å; F176-R180 WeakPolarHBondContact O-CB 3.15Å; F176-R180 PolarHBondContact O-N 3.41Å; A177-R180 PolarHBondContact O-N 3.02Å; M178-R180 VanDerWaalsContact C-N 3.26Å; M178-R180 PolarHBondContact O-N 3.18Å; R180-T183 PolarHBondContact O-N 2.94Å; R180-L184 HydrophobicContact CG-CD1 4.38Å; R180-L184 VanDerWaalsContact O-CB 3.31Å; R180-L184 WeakPolarHBondContact O-CB 3.28Å; R180-L184 PolarHBondContact O-N 3.48Å
181	E	55.9	Low	52.9	Low	91 Å²	91	64.3 Å²	64.3	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-42.3	178.9	-77.2	174.2	-166	0	0	112.1	A177 M178 L184 F185	A177-E181 WeakPolarHBondContact O-CB 3.4Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.38Å; M178-E181 PolarHBondContact O-N 3.28Å; E181-L184 WeakPolarHBondContact O-CB 3.41Å; E181-L184 PolarHBondContact O-N 3.2Å; E181-F185 VanDerWaalsContact O-CB 3.23Å; E181-F185 WeakPolarHBondContact O-CB 3.48Å; E181-F185 PolarHBondContact O-N 3.14Å
182	I	57.2	Low	52.5	Low	72 Å²	72	69.5 Å²	69.5	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-44.8	173.7	-70.7	174.8	0	0	0	110.4	M178 L184 F185 I186	M178-I182 HydrophobicContact CE-CD1 3.41Å; M178-I182 VanDerWaalsContact CE-CD1 3.41Å; M178-I182 HydrophobicContact CG-CD1 3.65Å; M178-I182 HydrophobicContact CG-CG1 4.29Å; M178-I182 VanDerWaalsContact O-CB 3.32Å; M178-I182 WeakPolarHBondContact O-CB 3.14Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.25Å; M178-I182 PolarHBondContact O-N 2.99Å; M178-I182 HydrophobicContact SD-CD1 4.11Å; I182-L184 VanDerWaalsContact C-N 3.29Å; I182-L184 PolarHBondContact O-N 2.81Å; I182-F185 PolarHBondContact O-N 3.49Å; I182-I186 HydrophobicContact CG2-CD1 3.46Å; I182-I186 VanDerWaalsContact CG2-CD1 3.46Å; I182-I186 HydrophobicContact CG2-CG1 4.05Å; I182-I186 WeakPolarHBondContact O-CB 3.25Å; I182-I186 WeakPolarHBondContact O-CG1 3.26Å; I182-I186 PolarHBondContact O-N 3.31Å
183	T	58.9	Low	52.4	Low	81 Å²	81	72.9 Å²	72.9	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-42.3	175.5	-59.2	0	0	0	0	110.3	M179 R180 T187	M179-T183 WeakPolarHBondContact O-CB 3.33Å; M179-T183 PolarHBondContact O-N 2.97Å; M179-T183 PolarHBondContact O-OG1 3.27Å; R180-T183 PolarHBondContact O-N 2.94Å; T183-T187 HydrophobicContact CG2-CG2 4.1Å; T183-T187 WeakPolarHBondContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CG2 3.38Å; T183-T187 PolarHBondContact O-N 3.42Å; T183-T187 PolarHBondContact O-OG1 3.44Å
184	L	57.6	Low	52.2	Low	30 Å²	30	72 Å²	72	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-51.2	174.5	-106.6	157.9	0	0	0	111.1	L116 R180 E181 I182 T187 T188	L116-L184 HydrophobicContact CD1-CD1 3.57Å; L116-L184 HydrophobicContact CD1-CD2 3.68Å; L116-L184 HydrophobicContact CD1-CG 4.28Å; L116-L184 HydrophobicContact CD2-CD2 3.65Å; L116-L184 HydrophobicContact CG-CD2 4.27Å; R180-L184 HydrophobicContact CG-CD1 4.38Å; R180-L184 VanDerWaalsContact O-CB 3.31Å; R180-L184 WeakPolarHBondContact O-CB 3.28Å; R180-L184 PolarHBondContact O-N 3.48Å; E181-L184 WeakPolarHBondContact O-CB 3.41Å; E181-L184 PolarHBondContact O-N 3.2Å; I182-L184 VanDerWaalsContact C-N 3.29Å; I182-L184 PolarHBondContact O-N 2.81Å; L184-T187 PolarHBondContact O-N 3.05Å; L184-T187 PolarHBondContact O-OG1 3.35Å; L184-T188 HydrophobicContact CD2-CG2 4.36Å; L184-T188 WeakPolarHBondContact O-CB 3.44Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.41Å; L184-T188 PolarHBondContact O-N 3.46Å; L184-T188 PolarHBondContact O-OG1 3.37Å
185	F	56	Low	51.8	Low	127 Å²	127	70 Å²	70	56%	0.557	36%	0.363	S	S	*	.	H	α-helix	trans	-59.8	-52.4	-179.8	-179.4	-93.9	0	0	0	112.2	E181 I182 T187 T188 H189	E181-F185 VanDerWaalsContact O-CB 3.23Å; E181-F185 WeakPolarHBondContact O-CB 3.48Å; E181-F185 PolarHBondContact O-N 3.14Å; I182-F185 PolarHBondContact O-N 3.49Å; F185-T187 VanDerWaalsContact C-N 3.27Å; F185-T187 PolarHBondContact O-N 3.17Å; F185-T188 WeakPolarHBondContact CA-OG1 3.4Å; F185-T188 PolarHBondContact O-N 3.36Å; F185-T188 PolarHBondContact O-OG1 3.33Å; F185-H189 AromaticContact CD2-CD2 3.46Å; F185-H189 VanDerWaalsContact CD2-CD2 3.46Å; F185-H189 WeakPolarHBondContact CD2-CD2 3.45Å; F185-H189 AromaticContact CD2-NE2 3.76Å; F185-H189 AromaticContact CE2-CD2 3.27Å; F185-H189 WeakPolarHBondContact CE2-CD2 3.21Å; F185-H189 AromaticContact CE2-NE2 3.37Å; F185-H189 WeakPolarHBondContact CE2-NE2 3.43Å; F185-H189 AromaticContact CG-CD2 3.92Å; F185-H189 AromaticContact CZ-CD2 3.56Å; F185-H189 AromaticContact CZ-NE2 3.98Å; F185-H189 WeakPolarHBondContact O-CB 3.42Å; F185-H189 PolarHBondContact O-CD2 3.39Å; F185-H189 VanDerWaalsContact O-CD2 3.28Å; F185-H189 PolarHBondContact O-N 3.03Å
186	I	57.4	Low	50.7	Low	78 Å²	78	77.3 Å²	77.3	40%	0.4	39%	0.392	S	S	.	.	H	α-helix	trans	-54.4	-49.4	175.1	-74	176.3	0	0	0	108.7	I182 T188 H189 L190	I182-I186 HydrophobicContact CG2-CD1 3.46Å; I182-I186 VanDerWaalsContact CG2-CD1 3.46Å; I182-I186 HydrophobicContact CG2-CG1 4.05Å; I182-I186 WeakPolarHBondContact O-CB 3.25Å; I182-I186 WeakPolarHBondContact O-CG1 3.26Å; I182-I186 PolarHBondContact O-N 3.31Å; I186-T188 PolarHBondContact O-N 3.18Å; I186-H189 PolarHBondContact O-N 2.95Å; I186-L190 HydrophobicContact CB-CD1 4.13Å; I186-L190 HydrophobicContact CG2-CD1 3.3Å; I186-L190 WeakPolarHBondContact O-CA 3.11Å; I186-L190 WeakPolarHBondContact O-CB 3.33Å; I186-L190 PolarHBondContact O-N 3.23Å
187	T	54.9	Low	49.8	Very low	36 Å²	36	77.3 Å²	77.3	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-78.5	-22.6	-171.8	66.5	0	0	0	0	113.4	R127 T183 L184 F185 G191	R127-T187 PolarHBondContact NH1-O 3.28Å; R127-T187 PolarHBondContact NH1-OG1 2.86Å; T183-T187 HydrophobicContact CG2-CG2 4.1Å; T183-T187 WeakPolarHBondContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CG2 3.38Å; T183-T187 PolarHBondContact O-N 3.42Å; T183-T187 PolarHBondContact O-OG1 3.44Å; L184-T187 PolarHBondContact O-N 3.05Å; L184-T187 PolarHBondContact O-OG1 3.35Å; F185-T187 VanDerWaalsContact C-N 3.27Å; F185-T187 PolarHBondContact O-N 3.17Å; T187-G191 PolarHBondContact O-N 2.81Å
188	T	52.4	Low	48.9	Very low	30 Å²	30	86.1 Å²	86.1	18%	0.184	43%	0.427	C	S	.	.	H	α-helix	trans	-77.4	-33.7	169.9	52.1	0	0	0	0	112.4	L184 F185 I186	L184-T188 HydrophobicContact CD2-CG2 4.36Å; L184-T188 WeakPolarHBondContact O-CB 3.44Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.41Å; L184-T188 PolarHBondContact O-N 3.46Å; L184-T188 PolarHBondContact O-OG1 3.37Å; F185-T188 WeakPolarHBondContact CA-OG1 3.4Å; F185-T188 PolarHBondContact O-N 3.36Å; F185-T188 PolarHBondContact O-OG1 3.33Å; I186-T188 PolarHBondContact O-N 3.18Å
189	H	50.6	Low	48.2	Very low	85 Å²	85	87.3 Å²	87.3	39%	0.394	44%	0.441	S	S	.	.	H	α-helix	trans	-92.8	-36.6	-178	-73.3	-65.8	0	0	0	113.7	F185 I186 F192	F185-H189 AromaticContact CD2-CD2 3.46Å; F185-H189 VanDerWaalsContact CD2-CD2 3.46Å; F185-H189 WeakPolarHBondContact CD2-CD2 3.45Å; F185-H189 AromaticContact CD2-NE2 3.76Å; F185-H189 AromaticContact CE2-CD2 3.27Å; F185-H189 WeakPolarHBondContact CE2-CD2 3.21Å; F185-H189 AromaticContact CE2-NE2 3.37Å; F185-H189 WeakPolarHBondContact CE2-NE2 3.43Å; F185-H189 AromaticContact CG-CD2 3.92Å; F185-H189 AromaticContact CZ-CD2 3.56Å; F185-H189 AromaticContact CZ-NE2 3.98Å; F185-H189 WeakPolarHBondContact O-CB 3.42Å; F185-H189 PolarHBondContact O-CD2 3.39Å; F185-H189 VanDerWaalsContact O-CD2 3.28Å; F185-H189 PolarHBondContact O-N 3.03Å; I186-H189 PolarHBondContact O-N 2.95Å; H189-F192 WeakPolarHBondContact O-CB 3.17Å; H189-F192 PolarHBondContact O-N 3.18Å
190	L	46.2	Very low	47.3	Very low	97 Å²	97	89.6 Å²	89.6	51%	0.508	45%	0.445	S	S	.	.	H	α-helix	trans	-77.6	-21.1	173	-79	138.2	0	0	0	112.9	I186 F192 I193 P194	I186-L190 HydrophobicContact CB-CD1 4.13Å; I186-L190 HydrophobicContact CG2-CD1 3.3Å; I186-L190 WeakPolarHBondContact O-CA 3.11Å; I186-L190 WeakPolarHBondContact O-CB 3.33Å; I186-L190 PolarHBondContact O-N 3.23Å; L190-F192 PolarHBondContact O-N 3.19Å; L190-I193 HydrophobicContact CD2-CD1 4.12Å; L190-I193 HydrophobicContact CG-CD1 4.47Å; L190-I193 PolarHBondContact O-N 3.16Å; L190-P194 WeakPolarHBondContact O-CD 3.46Å
191	G	42.8	Very low	46.4	Very low	29 Å²	29	92.7 Å²	92.7	30%	0.299	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.7	169.5	0	0	0	0	0	113.4	T187	T187-G191 PolarHBondContact O-N 2.81Å
192	F	40.2	Very low	45.7	Very low	121 Å²	121	95.5 Å²	95.5	53%	0.531	48%	0.478	S	S	.	.	H	α-helix	trans	-81.3	-18.5	178	-132.8	-93.5	0	0	0	113.3	H189 L190 Y196	H189-F192 WeakPolarHBondContact O-CB 3.17Å; H189-F192 PolarHBondContact O-N 3.18Å; L190-F192 PolarHBondContact O-N 3.19Å; F192-Y196 HydrophobicContact CD1-CD2 4.1Å; F192-Y196 HydrophobicContact CD1-CE2 4.27Å; F192-Y196 AromaticContact CE1-CD2 3.99Å; F192-Y196 HydrophobicContact CE1-CD2 3.99Å; F192-Y196 AromaticContact CE1-CE2 3.69Å; F192-Y196 HydrophobicContact CE1-CE2 3.69Å; F192-Y196 HydrophobicContact CZ-CE2 4.48Å
193	I	40.1	Very low	44.8	Very low	94 Å²	94	95.3 Å²	95.3	48%	0.482	48%	0.483	S	S	.	.	H	α-helix	trans	-82.3	-41.9	-173.2	-63.3	174.4	0	0	0	112.8	L190 L197	L190-I193 HydrophobicContact CD2-CD1 4.12Å; L190-I193 HydrophobicContact CG-CD1 4.47Å; L190-I193 PolarHBondContact O-N 3.16Å; I193-L197 HydrophobicContact CG2-CD1 3.98Å; I193-L197 PolarHBondContact O-N 3.17Å
194	P	37.2	Very low	43.8	Very low	80 Å²	80	99 Å²	99	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-77.7	-21.3	-179.5	14.9	-12.9	0	0	0	114.3	L190 R198	L190-P194 WeakPolarHBondContact O-CD 3.46Å; P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 2.98Å; P194-R198 PolarHBondContact O-N 3.19Å; P194-R198 VanDerWaalsContact O-N 3.15Å
195	T	41.3	Very low	42.9	Very low	86 Å²	86	104 Å²	104	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-80.9	-31.5	179.1	48.7	0	0	0	0	112.7
196	Y	36	Very low	42.1	Very low	157 Å²	157	105.7 Å²	105.7	62%	0.616	53%	0.531	S	S	*	.	H	α-helix	trans	-75	-34.7	171.6	-102	-90.8	0	0	0	113	F192	F192-Y196 HydrophobicContact CD1-CD2 4.1Å; F192-Y196 HydrophobicContact CD1-CE2 4.27Å; F192-Y196 AromaticContact CE1-CD2 3.99Å; F192-Y196 HydrophobicContact CE1-CD2 3.99Å; F192-Y196 AromaticContact CE1-CE2 3.69Å; F192-Y196 HydrophobicContact CE1-CE2 3.69Å; F192-Y196 HydrophobicContact CZ-CE2 4.48Å
197	L	36.2	Very low	41.2	Very low	108 Å²	108	111.1 Å²	111.1	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-72.8	-37.5	177.1	-90	151.9	0	0	0	112.8	I193 S199 Y200 D201	I193-L197 HydrophobicContact CG2-CD1 3.98Å; I193-L197 PolarHBondContact O-N 3.17Å; L197-S199 VanDerWaalsContact C-N 3.3Å; L197-S199 PolarHBondContact O-N 3.18Å; L197-Y200 PolarHBondContact O-N 3.03Å; L197-D201 PolarHBondContact O-N 3.12Å
198	R	36.3	Very low	40.4	Very low	195 Å²	195	117.3 Å²	117.3	74%	0.736	58%	0.578	S	S	*	*	H	α-helix	trans	-73	-20.4	179.7	-154.1	173.2	-165.5	172.1	3.6	114	P194	P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 2.98Å; P194-R198 PolarHBondContact O-N 3.19Å; P194-R198 VanDerWaalsContact O-N 3.15Å
199	S	38.8	Very low	39.7	Very low	83 Å²	83	120.4 Å²	120.4	58%	0.58	60%	0.601	S	S	*	*	H	α-helix	trans	-79.2	-19.5	172.1	-173.7	0	0	0	0	113.1	L197	L197-S199 VanDerWaalsContact C-N 3.3Å; L197-S199 PolarHBondContact O-N 3.18Å
200	Y	37.3	Very low	39.2	Very low	155 Å²	155	124.3 Å²	124.3	61%	0.608	62%	0.619	S	S	*	*	H	α-helix	trans	-85	-34.6	175.8	-96.4	-89.7	0	0	0	112.2	L197 H202 S203 F204	L197-Y200 PolarHBondContact O-N 3.03Å; Y200-H202 PolarHBondContact O-N 3.44Å; Y200-S203 PolarHBondContact O-N 3.05Å; Y200-S203 PolarHBondContact O-OG 3.26Å; Y200-F204 PolarHBondContact O-N 3.06Å
201	D	40.1	Very low	38.8	Very low	111 Å²	111	126.6 Å²	126.6	59%	0.594	63%	0.632	S	S	*	*	H	α-helix	trans	-70.8	-26.8	-179.4	-77.7	-23.6	0	0	0	114.3	L197	L197-D201 PolarHBondContact O-N 3.12Å
202	H	42.2	Very low	38.6	Very low	151 Å²	151	132.9 Å²	132.9	70%	0.699	65%	0.651	S	S	*	*	H	α-helix	trans	-84.5	-14	175.2	-94.1	-65.2	0	0	0	114.5	Y200	Y200-H202 PolarHBondContact O-N 3.44Å
203	S	38.7	Very low	38.5	Very low	67 Å²	67	134.2 Å²	134.2	47%	0.469	67%	0.67	S	S	.	*	H	α-helix	trans	-94.9	-17.6	175.2	69.9	0	0	0	0	113.4	Y200	Y200-S203 PolarHBondContact O-N 3.05Å; Y200-S203 PolarHBondContact O-OG 3.26Å
204	F	38.4	Very low	38.5	Very low	159 Å²	159	135.6 Å²	135.6	70%	0.697	68%	0.677	S	S	*	*	H	α-helix	trans	-84.9	-19.8	177.1	-124.9	-95.6	0	0	0	114	Y200	Y200-F204 PolarHBondContact O-N 3.06Å
205	N	37.1	Very low	38.4	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	69%	0.691	S	S	*	*	S	Bend	trans	-95.8	0.7	-178.5	-104.8	-25.5	0	0	0	115.7
206	M	39.3	Very low	38.1	Very low	162 Å²	162	145.6 Å²	145.6	80%	0.798	71%	0.712	S	S	*	*	S	Bend	trans	-111.9	0	176.7	-79	-107.4	-165.7	0	0	113.8
207	K	38.4	Very low	39	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	74%	0.743	S	S	*	*	S	Bend	trans	-109.7	7.1	178.2	-93.4	-176	175.8	-179.1	0	115
208	Q	38.9	Very low	39.1	Very low	167 Å²	167	148.7 Å²	148.7	78%	0.78	75%	0.752	S	S	*	*	S	Bend	trans	-102.8	3	177	-138.4	170.9	11	0	0	114
209	S	37.7	Very low	39.2	Very low	95 Å²	95	146.3 Å²	146.3	66%	0.664	75%	0.753	S	S	*	*	S	Bend	trans	-91	7.4	179.3	71	0	0	0	0	115.1
210	H	40.3	Very low	39.3	Very low	167 Å²	167	149.8 Å²	149.8	77%	0.773	76%	0.763	S	S	*	*	S	Bend	trans	-129.4	77.5	175.6	-80.6	-62.9	0	0	0	109.6
211	N	37.9	Very low	39.4	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	77%	0.772	S	S	*	*			trans	-161.8	125.2	157.9	-103.5	-21.3	0	0	0	111.4
212	F	38.2	Very low	39.3	Very low	161 Å²	161	151.9 Å²	151.9	71%	0.706	78%	0.783	S	S	*	*			trans	78.4	74.3	159.2	-77.5	-84.6	0	0	0	118.7	I214	F212-I214 HydrophobicContact CB-CD1 4.1Å; F212-I214 HydrophobicContact CB-CG1 4.02Å; F212-I214 HydrophobicContact CD1-CD1 3.67Å; F212-I214 HydrophobicContact CD1-CG1 3.62Å; F212-I214 HydrophobicContact CG-CD1 4.21Å; F212-I214 HydrophobicContact CG-CG1 4.29Å; F212-I214 PolarHBondContact O-N 3.48Å
213	T	37.2	Very low	39.1	Very low	149 Å²	149	151.9 Å²	151.9	91%	0.914	79%	0.789	S	S	*	*			trans	-46.1	109.3	131.6	-4.3	0	0	0	0	109.5
214	I	40.8	Very low	39.2	Very low	123 Å²	123	158 Å²	158	63%	0.631	81%	0.812	S	S	*	*			trans	-125.9	114.7	168.8	-66.9	178.9	0	0	0	108.7	F212	F212-I214 HydrophobicContact CB-CD1 4.1Å; F212-I214 HydrophobicContact CB-CG1 4.02Å; F212-I214 HydrophobicContact CD1-CD1 3.67Å; F212-I214 HydrophobicContact CD1-CG1 3.62Å; F212-I214 HydrophobicContact CG-CD1 4.21Å; F212-I214 HydrophobicContact CG-CG1 4.29Å; F212-I214 PolarHBondContact O-N 3.48Å
215	K	36.2	Very low	39.2	Very low	191 Å²	191	157.9 Å²	157.9	83%	0.83	82%	0.82	S	S	*	*			trans	52	101.6	152	-67.4	-179.3	174.7	-178.4	0	118.6
216	L	34.1	Very low	39.4	Very low	185 Å²	185	159.8 Å²	159.8	97%	0.969	83%	0.828	S	S	*	*			trans	-74.7	118.9	136.3	-90.5	142.1	0	0	0	108.6
217	S	53.9	Low	39.4	Very low	181 Å²	181	159.6 Å²	159.6	100%	1.266	83%	0.831	S	S	*	*			trans	-117.3	0	145.9	59.4	0	0	0	0	106.9

Retrieved 217 of 217 residues in 113.2 ms (Link to these results)

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