G4VAW9_SCHMA Loading...

Smp_200910

AlphaFold DB , UniProt , Accession G4VAW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 aa.

						>G4VAW9_SCHMA|G4VAW9
MNIIPRLLYLGNRVRLEFGHLNVPLSMYSFCQANSKSEVSFSHVRTLFITLLSHITHISFGWDNIVILLSGISLFMCSLYSKLNQSSP
					

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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	43.7	Very low	49.2	Very low	202 Å²	202	88.4 Å²	88.4	100%	0.995	43%	0.434	S	S	*	.				0	123.7	0	-133	175.8	174.1	0	0	107.6	I3	M1-I3 PolarHBondContact O-N 3.16Å
2	N	44.7	Very low	49.2	Very low	124 Å²	124	89.2 Å²	89.2	66%	0.663	44%	0.441	S	S	*	.			trans	-65.8	120.8	-176.1	-86.7	-29.7	0	0	0	110.8	P5	N2-P5 HydrophobicContact CB-CG 4.32Å; N2-P5 WeakPolarHBondContact O-CD 3.47Å; N2-P5 WeakPolarHBondContact O-CG 3.29Å
3	I	51.6	Low	49	Very low	38 Å²	38	93.4 Å²	93.4	20%	0.195	45%	0.449	C	S	.	.	H	α-helix	trans	-78	-25	-170.5	-155.2	154.8	0	0	0	112.9	M1 R6 L7 F30 N34	M1-I3 PolarHBondContact O-N 3.16Å; I3-R6 PolarHBondContact O-N 3.3Å; I3-L7 HydrophobicContact CG1-CD1 4.17Å; I3-L7 HydrophobicContact CG2-CD1 4.12Å; I3-L7 WeakPolarHBondContact O-CB 3.38Å; I3-L7 WeakPolarHBondContact O-CG 3.33Å; I3-L7 PolarHBondContact O-N 3.21Å; I3-F30 HydrophobicContact CD1-CD1 4.34Å; I3-F30 HydrophobicContact CD1-CE1 3.64Å; I3-F30 HydrophobicContact CD1-CZ 4.48Å; I3-F30 HydrophobicContact CG1-CD1 4.33Å; I3-F30 HydrophobicContact CG1-CE1 3.49Å; I3-F30 VanDerWaalsContact CG1-CE1 3.49Å; I3-F30 HydrophobicContact CG1-CZ 4.35Å; I3-N34 HydrophobicContact CD1-CB 4.34Å
4	I	46.3	Very low	48.6	Very low	73 Å²	73	89.1 Å²	89.1	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-50	-177	-61.3	178.7	0	0	0	113.4	R6 L7 L8	I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 2.91Å; I4-L7 WeakPolarHBondContact O-CB 3.3Å; I4-L7 PolarHBondContact O-N 2.91Å; I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 PolarHBondContact O-N 3.22Å
5	P	42	Very low	48.3	Very low	77 Å²	77	94.4 Å²	94.4	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-32	178.2	20.9	-32	0	0	0	113.2	N2 Y9	N2-P5 HydrophobicContact CB-CG 4.32Å; N2-P5 WeakPolarHBondContact O-CD 3.47Å; N2-P5 WeakPolarHBondContact O-CG 3.29Å; P5-Y9 WeakPolarHBondContact O-CB 3.4Å; P5-Y9 PolarHBondContact O-N 3.26Å
6	R	49	Very low	48.2	Very low	138 Å²	138	98.1 Å²	98.1	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-68.4	-39.9	174.7	-79.7	-176.5	164.3	-163.6	-4.5	111.9	I3 I4 Y9 L10	I3-R6 PolarHBondContact O-N 3.3Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 2.91Å; R6-Y9 PolarHBondContact O-N 2.68Å; R6-L10 PolarHBondContact O-N 3.01Å
7	L	50.2	Low	48	Very low	3 Å²	3	100.1 Å²	100.1	2%	0.016	48%	0.476	C	S	.	.	H	α-helix	trans	-64.8	-43.4	175	-84.9	165.2	0	0	0	112	I3 I4 L10 G11 M27 F30 C77	I3-L7 HydrophobicContact CG1-CD1 4.17Å; I3-L7 HydrophobicContact CG2-CD1 4.12Å; I3-L7 WeakPolarHBondContact O-CB 3.38Å; I3-L7 WeakPolarHBondContact O-CG 3.33Å; I3-L7 PolarHBondContact O-N 3.21Å; I4-L7 WeakPolarHBondContact O-CB 3.3Å; I4-L7 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3.45Å; L7-G11 PolarHBondContact O-N 3.5Å; L7-M27 HydrophobicContact CB-CE 3.59Å; L7-M27 HydrophobicContact CD2-CB 3.83Å; L7-M27 HydrophobicContact CD2-CE 3.92Å; L7-M27 HydrophobicContact CD2-CG 3.68Å; L7-M27 HydrophobicContact CG-CE 4.28Å; L7-F30 HydrophobicContact CD2-CB 4.46Å; L7-F30 HydrophobicContact CD2-CD1 3.84Å; L7-F30 HydrophobicContact CD2-CG 4.48Å; L7-F30 HydrophobicContact CG-CD1 4.11Å; L7-F30 HydrophobicContact CG-CE1 4.39Å; L7-C77 HydrophobicContact CD1-CB 3.52Å; L7-C77 VanDerWaalsContact CD1-SG 3.57Å
8	L	51.4	Low	47.7	Very low	88 Å²	88	102.4 Å²	102.4	46%	0.461	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-40.9	173.3	-81.6	162	0	0	0	112.2	I4 N12	I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 PolarHBondContact O-N 3.22Å; L8-N12 WeakPolarHBondContact O-CB 3.37Å; L8-N12 PolarHBondContact O-N 2.97Å
9	Y	56.6	Low	47.6	Very low	152 Å²	152	99.9 Å²	99.9	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-66	-44	176.8	-176.6	-98.4	0	0	0	112.1	P5 R6 N12 R13	P5-Y9 WeakPolarHBondContact O-CB 3.4Å; P5-Y9 PolarHBondContact O-N 3.26Å; R6-Y9 PolarHBondContact O-N 2.68Å; Y9-N12 PolarHBondContact O-N 3.09Å; Y9-R13 WeakPolarHBondContact O-CB 3.47Å; Y9-R13 PolarHBondContact O-N 3.39Å
10	L	52.6	Low	47.8	Very low	68 Å²	68	99.1 Å²	99.1	36%	0.356	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.7	-124	98.4	0	0	0	111.5	R6 L7 N12 R13 V14	R6-L10 PolarHBondContact O-N 3.01Å; L7-L10 PolarHBondContact O-N 3.45Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.49Å; L10-R13 PolarHBondContact O-N 2.89Å; L10-V14 WeakPolarHBondContact O-CB 3.27Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.43Å; L10-V14 PolarHBondContact O-N 2.66Å
11	G	53.2	Low	48	Very low	9 Å²	9	98 Å²	98	9%	0.093	48%	0.48	C	S	.	.	H	α-helix	trans	-63	-39	179.2	0	0	0	0	0	112.9	L7 R15 V23	L7-G11 PolarHBondContact O-N 3.5Å; G11-R15 VanDerWaalsContact O-CB 3.3Å; G11-R15 WeakPolarHBondContact O-CB 3.4Å; G11-R15 PolarHBondContact O-N 3.16Å; G11-R15 VanDerWaalsContact O-N 3.09Å; G11-V23 WeakPolarHBondContact O-CG2 3.37Å
12	N	49.4	Very low	48.3	Very low	98 Å²	98	92 Å²	92	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-69.9	-35.5	174.2	-91.6	-6.5	0	0	0	113.2	L8 Y9 L10	L8-N12 WeakPolarHBondContact O-CB 3.37Å; L8-N12 PolarHBondContact O-N 2.97Å; Y9-N12 PolarHBondContact O-N 3.09Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.49Å
13	R	45.6	Very low	48.7	Very low	144 Å²	144	86.6 Å²	86.6	54%	0.543	42%	0.423	S	S	.	.	H	α-helix	trans	-71.9	-41.6	179.1	-159.6	178.8	-179.7	171.1	1.9	111.9	Y9 L10 L16	Y9-R13 WeakPolarHBondContact O-CB 3.47Å; Y9-R13 PolarHBondContact O-N 3.39Å; L10-R13 PolarHBondContact O-N 2.89Å; R13-L16 PolarHBondContact O-N 3.01Å
14	V	43.6	Very low	48.8	Very low	34 Å²	34	84.9 Å²	84.9	21%	0.206	41%	0.414	C	S	.	.	H	α-helix	trans	-71.3	-32.2	178.5	176.5	0	0	0	0	111.7	L10 L16 E17 F18 N22 V23	L10-V14 WeakPolarHBondContact O-CB 3.27Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.43Å; L10-V14 PolarHBondContact O-N 2.66Å; V14-L16 PolarHBondContact O-N 3.01Å; V14-E17 PolarHBondContact O-N 3.47Å; V14-F18 PolarHBondContact O-N 3.35Å; V14-F18 VanDerWaalsContact O-N 3.16Å; V14-N22 HydrophobicContact CG1-CB 3.71Å; V14-V23 HydrophobicContact CB-CG2 3.79Å; V14-V23 HydrophobicContact CG1-CG2 3.7Å
15	R	44.9	Very low	49.4	Very low	168 Å²	168	85.5 Å²	85.5	63%	0.634	42%	0.418	S	S	*	.	H	α-helix	trans	-59.8	-25.5	173.2	-173.9	175.7	176.9	-177	0.8	113.3	G11 V23	G11-R15 VanDerWaalsContact O-CB 3.3Å; G11-R15 WeakPolarHBondContact O-CB 3.4Å; G11-R15 PolarHBondContact O-N 3.16Å; G11-R15 VanDerWaalsContact O-N 3.09Å; R15-V23 HydrophobicContact CB-CG2 4.22Å
16	L	45.7	Very low	50	Low	154 Å²	154	83.1 Å²	83.1	81%	0.806	40%	0.403	S	S	*	.	H	α-helix	trans	-88.8	-22	-179.4	-75.9	163.9	0	0	0	113.7	R13 V14	R13-L16 PolarHBondContact O-N 3.01Å; V14-L16 PolarHBondContact O-N 3.01Å
17	E	45.9	Very low	50.3	Low	131 Å²	131	76.9 Å²	76.9	61%	0.612	38%	0.38	S	S	*	.	H	α-helix	trans	-114	-31.7	-169.7	-71.3	-178.9	163.2	0	0	114.3	V14	V14-E17 PolarHBondContact O-N 3.47Å
18	F	43	Very low	50.7	Low	143 Å²	143	78 Å²	78	63%	0.627	38%	0.384	S	S	*	.	S	Bend	trans	-150.1	120.4	-175.7	-75.1	-90.4	0	0	0	112.1	V14	V14-F18 PolarHBondContact O-N 3.35Å; V14-F18 VanDerWaalsContact O-N 3.16Å
19	G	44.7	Very low	50.9	Low	55 Å²	55	76.7 Å²	76.7	57%	0.567	38%	0.382	S	S	*	.			trans	13	120	164.9	0	0	0	0	0	117.7	L21 N22	G19-L21 PolarHBondContact O-N 2.96Å; G19-N22 PolarHBondContact O-N 3.29Å
20	H	51	Low	51.1	Low	82 Å²	82	71.9 Å²	71.9	38%	0.38	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-10.4	-173.2	-57.9	-104.7	0	0	0	118.9	V66	H20-V66 HydrophobicContact CB-CB 4.33Å; H20-V66 HydrophobicContact CB-CG1 3.94Å; H20-V66 HydrophobicContact CB-CG2 3.4Å
21	L	52.1	Low	51.3	Low	78 Å²	78	68.9 Å²	68.9	41%	0.408	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-18.7	171.7	-91.4	146.9	0	0	0	114.6	G19 P24 W62	G19-L21 PolarHBondContact O-N 2.96Å; L21-P24 WeakPolarHBondContact O-CD 3.28Å; L21-W62 HydrophobicContact CD1-CH2 3.62Å; L21-W62 HydrophobicContact CD1-CZ3 3.76Å; L21-W62 HydrophobicContact CG-CZ3 4.49Å
22	N	51.2	Low	51.7	Low	74 Å²	74	72.8 Å²	72.8	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-78.8	-23	-177.7	-79.2	-27	0	0	0	113.5	V14 G19 S26	V14-N22 HydrophobicContact CG1-CB 3.71Å; G19-N22 PolarHBondContact O-N 3.29Å; N22-S26 VanDerWaalsContact O-CB 3.27Å; N22-S26 WeakPolarHBondContact O-CB 3.36Å; N22-S26 PolarHBondContact O-N 2.84Å; N22-S26 PolarHBondContact O-OG 3.01Å
23	V	52.9	Low	52.1	Low	11 Å²	11	72 Å²	72	7%	0.067	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-50.1	179.1	173	0	0	0	0	112.1	G11 V14 R15 L25 S26 M27	G11-V23 WeakPolarHBondContact O-CG2 3.37Å; V14-V23 HydrophobicContact CB-CG2 3.79Å; V14-V23 HydrophobicContact CG1-CG2 3.7Å; R15-V23 HydrophobicContact CB-CG2 4.22Å; V23-L25 VanDerWaalsContact C-N 3.34Å; V23-L25 PolarHBondContact O-N 3.38Å; V23-S26 WeakPolarHBondContact CA-OG 3.39Å; V23-S26 PolarHBondContact O-N 2.91Å; V23-S26 PolarHBondContact O-OG 3.39Å; V23-M27 HydrophobicContact CG1-SD 4.33Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 3.4Å
24	P	53.6	Low	52.5	Low	2 Å²	2	68.8 Å²	68.8	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-42.4	176.1	-21.4	32.6	0	0	0	112.3	L21 S26 M27 Y28 F48 L69 S73	L21-P24 WeakPolarHBondContact O-CD 3.28Å; P24-S26 PolarHBondContact O-N 3.44Å; P24-M27 PolarHBondContact O-N 2.89Å; P24-Y28 WeakPolarHBondContact O-CB 3.47Å; P24-Y28 PolarHBondContact O-N 2.75Å; P24-F48 HydrophobicContact CB-CE2 4.08Å; P24-F48 HydrophobicContact CB-CZ 3.79Å; P24-L69 HydrophobicContact CB-CB 4.26Å; P24-L69 HydrophobicContact CB-CD2 4.19Å; P24-L69 HydrophobicContact CG-CB 3.62Å; P24-L69 HydrophobicContact CG-CD1 4.36Å; P24-L69 HydrophobicContact CG-CD2 4.28Å; P24-L69 HydrophobicContact CG-CG 4.33Å; P24-S73 WeakPolarHBondContact CA-OG 3.3Å; P24-S73 WeakPolarHBondContact CB-OG 3.49Å
25	L	58.3	Low	53	Low	87 Å²	87	68.6 Å²	68.6	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-38.2	179.5	-97.3	153.4	0	0	0	112.8	V23 S29	V23-L25 VanDerWaalsContact C-N 3.34Å; V23-L25 PolarHBondContact O-N 3.38Å; L25-S29 WeakPolarHBondContact O-CB 3.14Å; L25-S29 PolarHBondContact O-N 3.3Å; L25-S29 PolarHBondContact O-OG 2.88Å
26	S	55	Low	53.6	Low	27 Å²	27	70 Å²	70	19%	0.189	38%	0.377	C	S	.	.	H	α-helix	trans	-74.9	-39.7	177.7	50.5	0	0	0	0	112.3	N22 V23 P24 Y28 S29 F30	N22-S26 VanDerWaalsContact O-CB 3.27Å; N22-S26 WeakPolarHBondContact O-CB 3.36Å; N22-S26 PolarHBondContact O-N 2.84Å; N22-S26 PolarHBondContact O-OG 3.01Å; V23-S26 WeakPolarHBondContact CA-OG 3.39Å; V23-S26 PolarHBondContact O-N 2.91Å; V23-S26 PolarHBondContact O-OG 3.39Å; P24-S26 PolarHBondContact O-N 3.44Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 3.24Å; S26-S29 PolarHBondContact O-N 2.95Å; S26-F30 VanDerWaalsContact O-CB 3.28Å; S26-F30 WeakPolarHBondContact O-CB 3.34Å; S26-F30 PolarHBondContact O-N 2.76Å
27	M	55.6	Low	54	Low	6 Å²	6	64.8 Å²	64.8	3%	0.03	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-41.4	171.1	-72.7	-178	112.8	0	0	111.5	L7 V23 P24 F30 C31 L74	L7-M27 HydrophobicContact CB-CE 3.59Å; L7-M27 HydrophobicContact CD2-CB 3.83Å; L7-M27 HydrophobicContact CD2-CE 3.92Å; L7-M27 HydrophobicContact CD2-CG 3.68Å; L7-M27 HydrophobicContact CG-CE 4.28Å; V23-M27 HydrophobicContact CG1-SD 4.33Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 3.4Å; P24-M27 PolarHBondContact O-N 2.89Å; M27-F30 PolarHBondContact O-N 3.38Å; M27-C31 PolarHBondContact O-N 3.2Å; M27-L74 HydrophobicContact CE-CD2 3.85Å; M27-L74 HydrophobicContact CE-CG 3.91Å
28	Y	58.8	Low	54.5	Low	27 Å²	27	66.9 Å²	66.9	11%	0.106	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-49.6	175.4	176.3	-92.5	0	0	0	112.1	P24 S26 F30 C31 Q32 F41 R45 F48	P24-Y28 WeakPolarHBondContact O-CB 3.47Å; P24-Y28 PolarHBondContact O-N 2.75Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 3.24Å; Y28-F30 VanDerWaalsContact C-N 3.25Å; Y28-F30 PolarHBondContact O-N 3.1Å; Y28-C31 PolarHBondContact O-N 2.92Å; Y28-Q32 PolarHBondContact O-N 3.37Å; Y28-F41 AromaticContact CE1-CZ 3.94Å; Y28-F41 HydrophobicContact CE1-CZ 3.94Å; Y28-F41 HydrophobicContact CE2-CE2 4.41Å; Y28-F41 AromaticContact CE2-CZ 3.87Å; Y28-F41 HydrophobicContact CE2-CZ 3.87Å; Y28-F41 AromaticContact CZ-CE1 3.98Å; Y28-F41 AromaticContact CZ-CZ 3.46Å; Y28-F41 VanDerWaalsContact CZ-CZ 3.46Å; Y28-F41 VanDerWaalsContact OH-CE1 3.31Å; Y28-F41 WeakPolarHBondContact OH-CE1 3.47Å; Y28-F41 VanDerWaalsContact OH-CZ 3.28Å; Y28-F41 WeakPolarHBondContact OH-CZ 3.25Å; Y28-R45 HydrophobicContact CE2-CB 4.21Å; Y28-R45 WeakPolarHBondContact OH-CA 3.32Å; Y28-R45 WeakPolarHBondContact OH-CB 3.35Å; Y28-R45 WeakPolarHBondContact OH-CD 3.31Å; Y28-R45 WeakPolarHBondContact OH-CG 3.28Å; Y28-F48 HydrophobicContact CD2-CB 4.05Å; Y28-F48 AromaticContact CD2-CD1 3.88Å; Y28-F48 HydrophobicContact CD2-CD1 3.88Å; Y28-F48 HydrophobicContact CD2-CD2 4.15Å; Y28-F48 HydrophobicContact CD2-CE1 4.38Å; Y28-F48 AromaticContact CD2-CG 3.75Å; Y28-F48 HydrophobicContact CD2-CG 3.75Å; Y28-F48 HydrophobicContact CE2-CB 4.08Å; Y28-F48 HydrophobicContact CE2-CD1 4.27Å; Y28-F48 HydrophobicContact CE2-CG 4.21Å; Y28-F48 HydrophobicContact CG-CD1 4.26Å; Y28-F48 HydrophobicContact CG-CE1 4.33Å; Y28-F48 HydrophobicContact CG-CG 4.47Å
29	S	56.2	Low	55	Low	60 Å²	60	65.3 Å²	65.3	42%	0.42	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-32	177.6	-57.9	0	0	0	0	112.3	L25 S26 Q32 A33	L25-S29 WeakPolarHBondContact O-CB 3.14Å; L25-S29 PolarHBondContact O-N 3.3Å; L25-S29 PolarHBondContact O-OG 2.88Å; S26-S29 PolarHBondContact O-N 2.95Å; S29-Q32 VanDerWaalsContact O-CB 3.32Å; S29-Q32 WeakPolarHBondContact O-CB 3.44Å; S29-Q32 PolarHBondContact O-N 2.92Å; S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.92Å
30	F	59.3	Low	55.3	Low	51 Å²	51	64.6 Å²	64.6	22%	0.224	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-40.5	175.5	-173.8	-97.8	0	0	0	112.3	I3 L7 S26 M27 Y28 Q32 A33 N34	I3-F30 HydrophobicContact CD1-CD1 4.34Å; I3-F30 HydrophobicContact CD1-CE1 3.64Å; I3-F30 HydrophobicContact CD1-CZ 4.48Å; I3-F30 HydrophobicContact CG1-CD1 4.33Å; I3-F30 HydrophobicContact CG1-CE1 3.49Å; I3-F30 VanDerWaalsContact CG1-CE1 3.49Å; I3-F30 HydrophobicContact CG1-CZ 4.35Å; L7-F30 HydrophobicContact CD2-CB 4.46Å; L7-F30 HydrophobicContact CD2-CD1 3.84Å; L7-F30 HydrophobicContact CD2-CG 4.48Å; L7-F30 HydrophobicContact CG-CD1 4.11Å; L7-F30 HydrophobicContact CG-CE1 4.39Å; S26-F30 VanDerWaalsContact O-CB 3.28Å; S26-F30 WeakPolarHBondContact O-CB 3.34Å; S26-F30 PolarHBondContact O-N 2.76Å; M27-F30 PolarHBondContact O-N 3.38Å; Y28-F30 VanDerWaalsContact C-N 3.25Å; Y28-F30 PolarHBondContact O-N 3.1Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 2.94Å; F30-A33 PolarHBondContact O-N 3.44Å; F30-N34 WeakPolarHBondContact CE1-ND2 3.42Å; F30-N34 VanDerWaalsContact CZ-ND2 3.34Å; F30-N34 WeakPolarHBondContact CZ-ND2 3.29Å; F30-N34 PolarHBondContact O-N 2.89Å; F30-N34 PolarHBondContact O-ND2 3.03Å
31	C	58.5	Low	55.4	Low	6 Å²	6	61.4 Å²	61.4	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-27.4	172.4	-87.5	0	0	0	0	111.5	M27 Y28 S35 C77	M27-C31 PolarHBondContact O-N 3.2Å; Y28-C31 PolarHBondContact O-N 2.92Å; C31-S35 WeakPolarHBondContact O-CB 3.28Å; C31-S35 PolarHBondContact O-N 3.17Å; C31-C77 WeakPolarHBondContact CB-SG 3.39Å; C31-C77 WeakPolarHBondContact SG-CB 3.48Å; C31-C77 CovalentContact SG-SG 2.06Å; C31-C77 PolarHBondContact SG-SG 3.32Å
32	Q	59.5	Low	55.4	Low	91 Å²	91	61 Å²	61	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-50.8	167.7	-168.1	163.3	-1.5	0	0	112.9	Y28 S29 F30 N34 S35 F41	Y28-Q32 PolarHBondContact O-N 3.37Å; S29-Q32 VanDerWaalsContact O-CB 3.32Å; S29-Q32 WeakPolarHBondContact O-CB 3.44Å; S29-Q32 PolarHBondContact O-N 2.92Å; F30-Q32 VanDerWaalsContact C-N 3.27Å; F30-Q32 PolarHBondContact O-N 2.94Å; Q32-N34 PolarHBondContact O-N 2.88Å; Q32-S35 WeakPolarHBondContact O-CB 3.38Å; Q32-S35 PolarHBondContact O-N 3.41Å; Q32-S35 VanDerWaalsContact O-N 3.16Å; Q32-F41 VanDerWaalsContact CA-CZ 3.4Å; Q32-F41 HydrophobicContact CB-CD2 4.32Å; Q32-F41 HydrophobicContact CB-CE1 3.7Å; Q32-F41 HydrophobicContact CB-CE2 3.48Å; Q32-F41 VanDerWaalsContact CB-CE2 3.48Å; Q32-F41 HydrophobicContact CB-CZ 3.12Å; Q32-F41 HydrophobicContact CG-CD1 3.93Å; Q32-F41 HydrophobicContact CG-CE1 3.27Å; Q32-F41 HydrophobicContact CG-CE2 3.97Å; Q32-F41 HydrophobicContact CG-CZ 3.32Å; Q32-F41 VanDerWaalsContact N-CE2 3.26Å
33	A	59.5	Low	55.5	Low	82 Å²	82	63.8 Å²	63.8	68%	0.678	35%	0.35	S	S	*	.	H	α-helix	trans	-65.1	-25.7	-175.9	0	0	0	0	0	112.6	S29 F30	S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.92Å; F30-A33 PolarHBondContact O-N 3.44Å
34	N	53.8	Low	55.6	Low	76 Å²	76	63.9 Å²	63.9	41%	0.406	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.5	179.8	-72.1	-70.8	0	0	0	113.9	I3 F30 Q32	I3-N34 HydrophobicContact CD1-CB 4.34Å; F30-N34 WeakPolarHBondContact CE1-ND2 3.42Å; F30-N34 VanDerWaalsContact CZ-ND2 3.34Å; F30-N34 WeakPolarHBondContact CZ-ND2 3.29Å; F30-N34 PolarHBondContact O-N 2.89Å; F30-N34 PolarHBondContact O-ND2 3.03Å; Q32-N34 PolarHBondContact O-N 2.88Å
35	S	54.7	Low	55.7	Low	29 Å²	29	69.9 Å²	69.9	20%	0.203	37%	0.373	C	S	.	.			trans	-87.4	119.7	-178.2	161.9	0	0	0	0	112	C31 Q32 S37 F41 Y80	C31-S35 WeakPolarHBondContact O-CB 3.28Å; C31-S35 PolarHBondContact O-N 3.17Å; Q32-S35 WeakPolarHBondContact O-CB 3.38Å; Q32-S35 PolarHBondContact O-N 3.41Å; Q32-S35 VanDerWaalsContact O-N 3.16Å; S35-S37 PolarHBondContact OG-O 2.76Å; S35-S37 VanDerWaalsContact OG-O 3.05Å; S35-F41 WeakPolarHBondContact OG-CB 3.48Å; S35-Y80 WeakPolarHBondContact CA-OH 3.48Å; S35-Y80 VanDerWaalsContact CB-CZ 3.49Å; S35-Y80 WeakPolarHBondContact CB-OH 3.3Å; S35-Y80 PolarHBondContact OG-OH 3.2Å
36	K	56.8	Low	55.5	Low	198 Å²	198	69.5 Å²	69.5	86%	0.861	37%	0.374	S	S	*	.	S	Bend	trans	-84.6	-14.6	172.9	-71.1	-174.3	178	-178.8	0	113.7
37	S	54.6	Low	55.5	Low	44 Å²	44	72.2 Å²	72.2	31%	0.308	39%	0.386	S	S	.	.			trans	-123.1	109.4	-174.3	160.7	0	0	0	0	110.1	S35 V39 S40 F41	S35-S37 PolarHBondContact OG-O 2.76Å; S35-S37 VanDerWaalsContact OG-O 3.05Å; S37-V39 PolarHBondContact O-N 2.87Å; S37-S40 WeakPolarHBondContact CB-OG 3.46Å; S37-S40 PolarHBondContact O-N 2.99Å; S37-S40 PolarHBondContact OG-N 3.2Å; S37-S40 PolarHBondContact OG-OG 2.91Å; S37-F41 PolarHBondContact O-N 3.49Å
38	E	55.1	Low	55.8	Low	176 Å²	176	72.4 Å²	72.4	82%	0.822	39%	0.387	S	S	*	.	H	α-helix	trans	-58	-33.5	177.2	-86.9	-173.4	142.6	0	0	112.8	F41 S42	E38-F41 PolarHBondContact O-N 3.48Å; E38-S42 WeakPolarHBondContact O-CB 3.4Å; E38-S42 PolarHBondContact O-N 2.84Å
39	V	54.2	Low	55.7	Low	109 Å²	109	75.1 Å²	75.1	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-70.1	-44.6	-174.4	-175.9	0	0	0	0	111.3	S37 F41 S42 H43	S37-V39 PolarHBondContact O-N 2.87Å; V39-F41 VanDerWaalsContact C-N 3.25Å; V39-F41 PolarHBondContact O-N 2.88Å; V39-S42 PolarHBondContact O-N 3.01Å; V39-H43 PolarHBondContact O-N 3.39Å
40	S	49.8	Very low	55.6	Low	40 Å²	40	75.6 Å²	75.6	28%	0.28	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-36	176.7	-31.2	0	0	0	0	110.7	S37 V44	S37-S40 WeakPolarHBondContact CB-OG 3.46Å; S37-S40 PolarHBondContact O-N 2.99Å; S37-S40 PolarHBondContact OG-N 3.2Å; S37-S40 PolarHBondContact OG-OG 2.91Å; S40-V44 WeakPolarHBondContact O-CG2 3.38Å; S40-V44 PolarHBondContact O-N 2.9Å
41	F	54.1	Low	55.4	Low	15 Å²	15	76.1 Å²	76.1	7%	0.066	41%	0.408	C	S	.	.	H	α-helix	trans	-71.4	-40.1	179.5	-168.1	-99.6	0	0	0	112.8	Y28 Q32 S35 S37 E38 V39 H43 V44 R45 Y80	Y28-F41 AromaticContact CE1-CZ 3.94Å; Y28-F41 HydrophobicContact CE1-CZ 3.94Å; Y28-F41 HydrophobicContact CE2-CE2 4.41Å; Y28-F41 AromaticContact CE2-CZ 3.87Å; Y28-F41 HydrophobicContact CE2-CZ 3.87Å; Y28-F41 AromaticContact CZ-CE1 3.98Å; Y28-F41 AromaticContact CZ-CZ 3.46Å; Y28-F41 VanDerWaalsContact CZ-CZ 3.46Å; Y28-F41 VanDerWaalsContact OH-CE1 3.31Å; Y28-F41 WeakPolarHBondContact OH-CE1 3.47Å; Y28-F41 VanDerWaalsContact OH-CZ 3.28Å; Y28-F41 WeakPolarHBondContact OH-CZ 3.25Å; Q32-F41 VanDerWaalsContact CA-CZ 3.4Å; Q32-F41 HydrophobicContact CB-CD2 4.32Å; Q32-F41 HydrophobicContact CB-CE1 3.7Å; Q32-F41 HydrophobicContact CB-CE2 3.48Å; Q32-F41 VanDerWaalsContact CB-CE2 3.48Å; Q32-F41 HydrophobicContact CB-CZ 3.12Å; Q32-F41 HydrophobicContact CG-CD1 3.93Å; Q32-F41 HydrophobicContact CG-CE1 3.27Å; Q32-F41 HydrophobicContact CG-CE2 3.97Å; Q32-F41 HydrophobicContact CG-CZ 3.32Å; Q32-F41 VanDerWaalsContact N-CE2 3.26Å; S35-F41 WeakPolarHBondContact OG-CB 3.48Å; S37-F41 PolarHBondContact O-N 3.49Å; E38-F41 PolarHBondContact O-N 3.48Å; V39-F41 VanDerWaalsContact C-N 3.25Å; V39-F41 PolarHBondContact O-N 2.88Å; F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 PolarHBondContact O-N 3.47Å; F41-V44 PolarHBondContact O-N 3.46Å; F41-R45 VanDerWaalsContact O-CB 3.3Å; F41-R45 WeakPolarHBondContact O-CB 3.32Å; F41-R45 PolarHBondContact O-N 3.38Å; F41-Y80 HydrophobicContact CD2-CE2 4.37Å
42	S	51.7	Low	55.4	Low	69 Å²	69	78.3 Å²	78.3	48%	0.483	42%	0.419	S	S	.	.	H	α-helix	trans	-60.2	-39.2	175.3	-173.7	0	0	0	0	112.1	E38 V39 R45 T46	E38-S42 WeakPolarHBondContact O-CB 3.4Å; E38-S42 PolarHBondContact O-N 2.84Å; V39-S42 PolarHBondContact O-N 3.01Å; S42-R45 WeakPolarHBondContact O-CB 3.33Å; S42-R45 PolarHBondContact O-N 3.22Å; S42-T46 PolarHBondContact O-N 3.48Å; S42-T46 PolarHBondContact O-OG1 2.92Å
43	H	53.7	Low	55.2	Low	134 Å²	134	77.5 Å²	77.5	62%	0.62	42%	0.423	S	S	*	.	H	α-helix	trans	-66.2	-44.7	176.1	-101.9	105.4	0	0	0	112.5	V39 F41 R45 T46 L47	V39-H43 PolarHBondContact O-N 3.39Å; F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 PolarHBondContact O-N 3.47Å; H43-R45 VanDerWaalsContact C-N 3.3Å; H43-R45 PolarHBondContact O-N 2.92Å; H43-T46 PolarHBondContact O-N 3.49Å; H43-L47 WeakPolarHBondContact O-CB 3.32Å; H43-L47 PolarHBondContact O-N 3.42Å
44	V	55.1	Low	54.9	Low	13 Å²	13	79.4 Å²	79.4	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-65.3	-36.4	177.6	172.5	0	0	0	0	111.1	S40 F41 F48 M76 Y80	S40-V44 WeakPolarHBondContact O-CG2 3.38Å; S40-V44 PolarHBondContact O-N 2.9Å; F41-V44 PolarHBondContact O-N 3.46Å; V44-F48 WeakPolarHBondContact O-CB 3.31Å; V44-F48 PolarHBondContact O-N 3.01Å; V44-M76 HydrophobicContact CG1-CB 3.87Å; V44-M76 HydrophobicContact CG1-CG 4.09Å; V44-M76 HydrophobicContact CG1-SD 3.91Å; V44-Y80 HydrophobicContact CG2-CD2 4.45Å
45	R	55	Low	54.9	Low	128 Å²	128	76.2 Å²	76.2	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-57.6	-53.8	170.6	176.3	167.9	172.2	176.1	-5.1	112.4	Y28 F41 S42 H43 L47 F48 I49	Y28-R45 HydrophobicContact CE2-CB 4.21Å; Y28-R45 WeakPolarHBondContact OH-CA 3.32Å; Y28-R45 WeakPolarHBondContact OH-CB 3.35Å; Y28-R45 WeakPolarHBondContact OH-CD 3.31Å; Y28-R45 WeakPolarHBondContact OH-CG 3.28Å; F41-R45 VanDerWaalsContact O-CB 3.3Å; F41-R45 WeakPolarHBondContact O-CB 3.32Å; F41-R45 PolarHBondContact O-N 3.38Å; S42-R45 WeakPolarHBondContact O-CB 3.33Å; S42-R45 PolarHBondContact O-N 3.22Å; H43-R45 VanDerWaalsContact C-N 3.3Å; H43-R45 PolarHBondContact O-N 2.92Å; R45-L47 VanDerWaalsContact C-N 3.31Å; R45-L47 PolarHBondContact O-N 3.03Å; R45-F48 PolarHBondContact O-N 3.49Å; R45-I49 HydrophobicContact CG-CD1 3.76Å; R45-I49 WeakPolarHBondContact O-CG1 3.41Å; R45-I49 PolarHBondContact O-N 3.23Å
46	T	54.7	Low	54.8	Low	78 Å²	78	80 Å²	80	48%	0.479	42%	0.423	S	S	.	.	H	α-helix	trans	-61	-45.5	-178.9	-55.3	0	0	0	0	110	S42 H43 F48 I49 T50	S42-T46 PolarHBondContact O-N 3.48Å; S42-T46 PolarHBondContact O-OG1 2.92Å; H43-T46 PolarHBondContact O-N 3.49Å; T46-F48 PolarHBondContact O-N 3.4Å; T46-I49 PolarHBondContact O-N 3.35Å; T46-T50 WeakPolarHBondContact O-CB 2.99Å; T46-T50 PolarHBondContact O-N 3.47Å; T46-T50 PolarHBondContact O-OG1 3.31Å
47	L	55.6	Low	54.6	Low	84 Å²	84	78.4 Å²	78.4	44%	0.44	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-44.9	175.6	-90.9	162.6	0	0	0	112.7	H43 R45 T50 L51 M76	H43-L47 WeakPolarHBondContact O-CB 3.32Å; H43-L47 PolarHBondContact O-N 3.42Å; R45-L47 VanDerWaalsContact C-N 3.31Å; R45-L47 PolarHBondContact O-N 3.03Å; L47-T50 PolarHBondContact O-N 3.27Å; L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 PolarHBondContact O-N 3.46Å; L47-M76 HydrophobicContact CB-CE 3.57Å; L47-M76 HydrophobicContact CB-SD 4.27Å; L47-M76 HydrophobicContact CD1-CE 4.15Å; L47-M76 HydrophobicContact CD2-CE 4.34Å; L47-M76 HydrophobicContact CG-CE 4.24Å
48	F	60.5	Low	54.5	Low	10 Å²	10	80.7 Å²	80.7	4%	0.044	43%	0.426	C	S	.	.	H	α-helix	trans	-62.1	-47.2	178.5	-178.4	-93.7	0	0	0	112	P24 Y28 V44 R45 T46 L51 L52 I72	P24-F48 HydrophobicContact CB-CE2 4.08Å; P24-F48 HydrophobicContact CB-CZ 3.79Å; Y28-F48 HydrophobicContact CD2-CB 4.05Å; Y28-F48 AromaticContact CD2-CD1 3.88Å; Y28-F48 HydrophobicContact CD2-CD1 3.88Å; Y28-F48 HydrophobicContact CD2-CD2 4.15Å; Y28-F48 HydrophobicContact CD2-CE1 4.38Å; Y28-F48 AromaticContact CD2-CG 3.75Å; Y28-F48 HydrophobicContact CD2-CG 3.75Å; Y28-F48 HydrophobicContact CE2-CB 4.08Å; Y28-F48 HydrophobicContact CE2-CD1 4.27Å; Y28-F48 HydrophobicContact CE2-CG 4.21Å; Y28-F48 HydrophobicContact CG-CD1 4.26Å; Y28-F48 HydrophobicContact CG-CE1 4.33Å; Y28-F48 HydrophobicContact CG-CG 4.47Å; V44-F48 WeakPolarHBondContact O-CB 3.31Å; V44-F48 PolarHBondContact O-N 3.01Å; R45-F48 PolarHBondContact O-N 3.49Å; T46-F48 PolarHBondContact O-N 3.4Å; F48-L51 PolarHBondContact O-N 3.37Å; F48-L52 HydrophobicContact CE1-CD2 4.49Å; F48-L52 VanDerWaalsContact O-CB 3.31Å; F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 PolarHBondContact O-N 3.16Å; F48-I72 HydrophobicContact CD2-CG2 4.23Å
49	I	57	Low	54.2	Low	85 Å²	85	78.4 Å²	78.4	44%	0.436	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-42.5	179.6	-65.9	170.7	0	0	0	110.8	R45 T46 L52 S53	R45-I49 HydrophobicContact CG-CD1 3.76Å; R45-I49 WeakPolarHBondContact O-CG1 3.41Å; R45-I49 PolarHBondContact O-N 3.23Å; T46-I49 PolarHBondContact O-N 3.35Å; I49-L52 PolarHBondContact O-N 3.39Å; I49-S53 VanDerWaalsContact O-CB 3.32Å; I49-S53 WeakPolarHBondContact O-CB 3.48Å; I49-S53 PolarHBondContact O-N 3.16Å
50	T	54.3	Low	54.2	Low	70 Å²	70	79.3 Å²	79.3	43%	0.429	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-43.6	177.6	-59.5	0	0	0	0	111.4	T46 L47 S53 H54	T46-T50 WeakPolarHBondContact O-CB 2.99Å; T46-T50 PolarHBondContact O-N 3.47Å; T46-T50 PolarHBondContact O-OG1 3.31Å; L47-T50 PolarHBondContact O-N 3.27Å; T50-S53 PolarHBondContact O-N 3.44Å; T50-H54 PolarHBondContact O-CD2 2.95Å; T50-H54 PolarHBondContact O-N 3.27Å
51	L	55.8	Low	54.4	Low	61 Å²	61	79.7 Å²	79.7	32%	0.319	44%	0.435	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.7	-90.2	152.7	0	0	0	111.7	L47 F48 S53 H54 I55 I72 M76	L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 PolarHBondContact O-N 3.46Å; F48-L51 PolarHBondContact O-N 3.37Å; L51-S53 VanDerWaalsContact C-N 3.3Å; L51-S53 PolarHBondContact O-N 3.37Å; L51-H54 PolarHBondContact O-N 3.44Å; L51-I55 WeakPolarHBondContact O-CD1 3.48Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.87Å; L51-I72 HydrophobicContact CB-CD1 4Å; L51-I72 HydrophobicContact CB-CG2 4.33Å; L51-I72 HydrophobicContact CD1-CD1 4.46Å; L51-I72 HydrophobicContact CD1-CG1 4.3Å; L51-I72 HydrophobicContact CD1-CG2 3.9Å; L51-I72 HydrophobicContact CD2-CD1 3.76Å; L51-I72 HydrophobicContact CD2-CG1 4.21Å; L51-I72 HydrophobicContact CG-CD1 4.29Å; L51-M76 HydrophobicContact CD1-CE 3.92Å
52	L	57.7	Low	54.4	Low	52 Å²	52	87 Å²	87	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-56.3	-46.7	175.5	-175.4	73.7	0	0	0	110.9	F48 I49 H54 I55 T56 L69	F48-L52 HydrophobicContact CE1-CD2 4.49Å; F48-L52 VanDerWaalsContact O-CB 3.31Å; F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 PolarHBondContact O-N 3.16Å; I49-L52 PolarHBondContact O-N 3.39Å; L52-H54 PolarHBondContact O-N 2.86Å; L52-I55 PolarHBondContact O-N 3.43Å; L52-I55 VanDerWaalsContact O-N 3.16Å; L52-T56 PolarHBondContact O-N 2.06Å; L52-T56 PolarHBondContact O-OG1 2.92Å; L52-L69 HydrophobicContact CB-CD2 4.5Å; L52-L69 HydrophobicContact CD1-CD1 3.73Å; L52-L69 HydrophobicContact CD1-CD2 3.26Å; L52-L69 HydrophobicContact CD1-CG 4.04Å; L52-L69 HydrophobicContact CG-CD2 4.46Å
53	S	54.6	Low	54.4	Low	74 Å²	74	89.2 Å²	89.2	52%	0.517	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-44.9	178	-177.3	0	0	0	0	112.3	I49 T50 L51 I55 T56 H57	I49-S53 VanDerWaalsContact O-CB 3.32Å; I49-S53 WeakPolarHBondContact O-CB 3.48Å; I49-S53 PolarHBondContact O-N 3.16Å; T50-S53 PolarHBondContact O-N 3.44Å; L51-S53 VanDerWaalsContact C-N 3.3Å; L51-S53 PolarHBondContact O-N 3.37Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 3.05Å; S53-T56 WeakPolarHBondContact CA-OG1 3.44Å; S53-T56 PolarHBondContact O-N 3.24Å; S53-T56 PolarHBondContact O-OG1 3.45Å; S53-H57 PolarHBondContact O-N 3.38Å
54	H	53.6	Low	54.5	Low	122 Å²	122	86.9 Å²	86.9	57%	0.565	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-36	177.2	-93.2	-70.2	0	0	0	112.6	T50 L51 L52 H57 I58	T50-H54 PolarHBondContact O-CD2 2.95Å; T50-H54 PolarHBondContact O-N 3.27Å; L51-H54 PolarHBondContact O-N 3.44Å; L52-H54 PolarHBondContact O-N 2.86Å; H54-H57 PolarHBondContact O-N 3.04Å; H54-I58 WeakPolarHBondContact O-CG1 3.26Å; H54-I58 PolarHBondContact O-N 3.45Å
55	I	55.2	Low	54.6	Low	9 Å²	9	87.8 Å²	87.8	5%	0.046	47%	0.465	C	S	.	.	H	α-helix	trans	-72.6	-39.2	-178.8	-63	166.4	0	0	0	111.1	L51 L52 S53 H57 I58 I65 L68 L69 I72	L51-I55 WeakPolarHBondContact O-CD1 3.48Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.87Å; L52-I55 PolarHBondContact O-N 3.43Å; L52-I55 VanDerWaalsContact O-N 3.16Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 3.05Å; I55-H57 PolarHBondContact O-N 2.89Å; I55-I58 PolarHBondContact O-N 3.49Å; I55-I58 VanDerWaalsContact O-N 3.17Å; I55-I58 VanDerWaalsContact O-O 3.13Å; I55-I65 HydrophobicContact CG2-CB 3.91Å; I55-I65 HydrophobicContact CG2-CD1 4.33Å; I55-I65 HydrophobicContact CG2-CG1 3.66Å; I55-I65 HydrophobicContact CG2-CG2 3.59Å; I55-L68 HydrophobicContact CD1-CB 4.39Å; I55-L68 HydrophobicContact CD1-CD2 3.57Å; I55-L68 HydrophobicContact CD1-CG 3.76Å; I55-L68 HydrophobicContact CG1-CD2 3.55Å; I55-L68 HydrophobicContact CG1-CG 4.31Å; I55-L68 HydrophobicContact CG2-CD2 4.2Å; I55-L69 HydrophobicContact CD1-CD2 4.48Å; I55-L69 HydrophobicContact CD1-CG 4.29Å; I55-I72 HydrophobicContact CD1-CD1 3.36Å
56	T	52.6	Low	54.5	Low	109 Å²	109	82.6 Å²	82.6	67%	0.669	45%	0.447	S	S	*	.	H	α-helix	trans	-60.7	-23.9	172.3	18.4	0	0	0	0	113.6	L52 S53	L52-T56 PolarHBondContact O-N 2.06Å; L52-T56 PolarHBondContact O-OG1 2.92Å; S53-T56 WeakPolarHBondContact CA-OG1 3.44Å; S53-T56 PolarHBondContact O-N 3.24Å; S53-T56 PolarHBondContact O-OG1 3.45Å
57	H	50.9	Low	54.8	Low	164 Å²	164	84.5 Å²	84.5	76%	0.759	45%	0.453	S	S	*	.	H	α-helix	trans	-87.8	-14.8	-179.7	-143	-67.4	0	0	0	113.3	S53 H54 I55	S53-H57 PolarHBondContact O-N 3.38Å; H54-H57 PolarHBondContact O-N 3.04Å; I55-H57 PolarHBondContact O-N 2.89Å
58	I	53.3	Low	55	Low	92 Å²	92	84.8 Å²	84.8	47%	0.472	46%	0.455	S	S	.	.	S	Bend	trans	-97.8	105.6	177.4	-66.5	166.7	0	0	0	107.1	H54 I55 F60	H54-I58 WeakPolarHBondContact O-CG1 3.26Å; H54-I58 PolarHBondContact O-N 3.45Å; I55-I58 PolarHBondContact O-N 3.49Å; I55-I58 VanDerWaalsContact O-N 3.17Å; I55-I58 VanDerWaalsContact O-O 3.13Å; I58-F60 HydrophobicContact CG2-CB 4.4Å; I58-F60 HydrophobicContact CG2-CD2 3.53Å; I58-F60 HydrophobicContact CG2-CE2 4.26Å; I58-F60 HydrophobicContact CG2-CG 4.35Å; I58-F60 PolarHBondContact O-N 3.24Å
59	S	48.4	Very low	55.1	Low	129 Å²	129	84.5 Å²	84.5	90%	0.902	45%	0.454	S	S	*	.			trans	-65.8	78.6	172.9	-72.7	0	0	0	0	110.8
60	F	53.6	Low	55.2	Low	128 Å²	128	82 Å²	82	56%	0.561	44%	0.444	S	S	*	.			trans	-107.5	146.2	165.1	-105.1	-105	0	0	0	108.4	I58 W62 N64 I65	I58-F60 HydrophobicContact CG2-CB 4.4Å; I58-F60 HydrophobicContact CG2-CD2 3.53Å; I58-F60 HydrophobicContact CG2-CE2 4.26Å; I58-F60 HydrophobicContact CG2-CG 4.35Å; I58-F60 PolarHBondContact O-N 3.24Å; F60-W62 PolarHBondContact O-N 3.47Å; F60-N64 HydrophobicContact CB-CB 4.23Å; F60-N64 HydrophobicContact CD1-CB 3.93Å; F60-I65 WeakPolarHBondContact O-CD1 3.37Å
61	G	54.5	Low	55.7	Low	48 Å²	48	80.5 Å²	80.5	50%	0.495	44%	0.442	S	S	.	.			trans	-47.2	136.9	176.1	0	0	0	0	0	111.1	D63 N64	G61-D63 PolarHBondContact O-N 2.89Å; G61-N64 WeakPolarHBondContact O-CB 3.27Å; G61-N64 PolarHBondContact O-N 2.99Å
62	W	54.2	Low	56.2	Low	168 Å²	168	78.3 Å²	78.3	64%	0.636	43%	0.431	S	S	*	.	H	α-helix	trans	-47.5	-34.5	-170.2	-98.6	75.4	0	0	0	113.9	L21 F60 N64 I65 V66	L21-W62 HydrophobicContact CD1-CH2 3.62Å; L21-W62 HydrophobicContact CD1-CZ3 3.76Å; L21-W62 HydrophobicContact CG-CZ3 4.49Å; F60-W62 PolarHBondContact O-N 3.47Å; W62-N64 VanDerWaalsContact C-N 3.34Å; W62-N64 PolarHBondContact O-N 2.86Å; W62-I65 PolarHBondContact O-N 3.26Å; W62-V66 VanDerWaalsContact O-CG2 3.28Å; W62-V66 WeakPolarHBondContact O-CG2 3.4Å; W62-V66 PolarHBondContact O-N 3.38Å; W62-V66 VanDerWaalsContact O-N 3.16Å
63	D	53	Low	56.5	Low	115 Å²	115	76 Å²	76	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-60.2	-39.3	176.5	-64.7	-62.9	0	0	0	113.5	G61 V66 I67	G61-D63 PolarHBondContact O-N 2.89Å; D63-V66 PolarHBondContact O-N 2.97Å; D63-I67 WeakPolarHBondContact O-CG1 3.15Å; D63-I67 PolarHBondContact O-N 3.29Å; D63-I67 VanDerWaalsContact O-N 3.1Å
64	N	54.7	Low	56.8	Low	86 Å²	86	75.6 Å²	75.6	46%	0.46	41%	0.411	S	S	.	.	H	α-helix	trans	-70.7	-36.1	179.5	-72.2	-43.7	0	0	0	111.8	F60 G61 W62 V66 L68	F60-N64 HydrophobicContact CB-CB 4.23Å; F60-N64 HydrophobicContact CD1-CB 3.93Å; G61-N64 WeakPolarHBondContact O-CB 3.27Å; G61-N64 PolarHBondContact O-N 2.99Å; W62-N64 VanDerWaalsContact C-N 3.34Å; W62-N64 PolarHBondContact O-N 2.86Å; N64-V66 VanDerWaalsContact C-N 3.3Å; N64-V66 PolarHBondContact O-N 3.05Å; N64-L68 VanDerWaalsContact O-CB 3.25Å; N64-L68 WeakPolarHBondContact O-CB 3.29Å; N64-L68 PolarHBondContact O-N 3.3Å
65	I	56.6	Low	57.5	Low	32 Å²	32	75.9 Å²	75.9	16%	0.164	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-41.7	174.5	-70.3	179.1	0	0	0	110.4	I55 F60 W62 L68 L69	I55-I65 HydrophobicContact CG2-CB 3.91Å; I55-I65 HydrophobicContact CG2-CD1 4.33Å; I55-I65 HydrophobicContact CG2-CG1 3.66Å; I55-I65 HydrophobicContact CG2-CG2 3.59Å; F60-I65 WeakPolarHBondContact O-CD1 3.37Å; W62-I65 PolarHBondContact O-N 3.26Å; I65-L68 PolarHBondContact O-N 3.46Å; I65-L69 HydrophobicContact CG2-CD1 3.78Å; I65-L69 VanDerWaalsContact O-CB 3.29Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 WeakPolarHBondContact O-CG 3.2Å; I65-L69 PolarHBondContact O-N 3.45Å
66	V	54.3	Low	58	Low	18 Å²	18	75.9 Å²	75.9	11%	0.109	41%	0.41	C	S	.	.	H	α-helix	trans	-70.1	-42.6	-178.5	174	0	0	0	0	112.1	H20 W62 D63 N64 L68 L69 S70	H20-V66 HydrophobicContact CB-CB 4.33Å; H20-V66 HydrophobicContact CB-CG1 3.94Å; H20-V66 HydrophobicContact CB-CG2 3.4Å; W62-V66 VanDerWaalsContact O-CG2 3.28Å; W62-V66 WeakPolarHBondContact O-CG2 3.4Å; W62-V66 PolarHBondContact O-N 3.38Å; W62-V66 VanDerWaalsContact O-N 3.16Å; D63-V66 PolarHBondContact O-N 2.97Å; N64-V66 VanDerWaalsContact C-N 3.3Å; N64-V66 PolarHBondContact O-N 3.05Å; V66-L68 VanDerWaalsContact C-N 3.32Å; V66-L69 PolarHBondContact O-N 2.86Å; V66-S70 WeakPolarHBondContact O-CB 3.35Å; V66-S70 PolarHBondContact O-N 3.5Å; V66-S70 PolarHBondContact O-OG 3.25Å
67	I	60	Low	58.6	Low	118 Å²	118	70.9 Å²	70.9	61%	0.605	38%	0.38	S	S	*	.	H	α-helix	trans	-61.6	-45.8	175.5	-67.5	167.3	0	0	0	109.8	D63 L69 S70 G71	D63-I67 WeakPolarHBondContact O-CG1 3.15Å; D63-I67 PolarHBondContact O-N 3.29Å; D63-I67 VanDerWaalsContact O-N 3.1Å; I67-L69 PolarHBondContact O-N 3.43Å; I67-S70 PolarHBondContact O-N 3.46Å; I67-G71 PolarHBondContact O-N 2.98Å
68	L	61.1	Low	59.3	Low	91 Å²	91	65.3 Å²	65.3	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-44.6	179.5	-169.6	63.8	0	0	0	111.5	I55 N64 I65 V66 S70 G71 I72	I55-L68 HydrophobicContact CD1-CB 4.39Å; I55-L68 HydrophobicContact CD1-CD2 3.57Å; I55-L68 HydrophobicContact CD1-CG 3.76Å; I55-L68 HydrophobicContact CG1-CD2 3.55Å; I55-L68 HydrophobicContact CG1-CG 4.31Å; I55-L68 HydrophobicContact CG2-CD2 4.2Å; N64-L68 VanDerWaalsContact O-CB 3.25Å; N64-L68 WeakPolarHBondContact O-CB 3.29Å; N64-L68 PolarHBondContact O-N 3.3Å; I65-L68 PolarHBondContact O-N 3.46Å; V66-L68 VanDerWaalsContact C-N 3.32Å; L68-S70 PolarHBondContact O-N 2.81Å; L68-G71 PolarHBondContact O-N 3.32Å; L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 2.95Å; L68-I72 PolarHBondContact O-N 2.8Å
69	L	61.9	Low	59.9	Low	4 Å²	4	63.9 Å²	63.9	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.4	-88.9	165.5	0	0	0	113.9	P24 L52 I55 I65 V66 I67 G71 I72 S73	P24-L69 HydrophobicContact CB-CB 4.26Å; P24-L69 HydrophobicContact CB-CD2 4.19Å; P24-L69 HydrophobicContact CG-CB 3.62Å; P24-L69 HydrophobicContact CG-CD1 4.36Å; P24-L69 HydrophobicContact CG-CD2 4.28Å; P24-L69 HydrophobicContact CG-CG 4.33Å; L52-L69 HydrophobicContact CB-CD2 4.5Å; L52-L69 HydrophobicContact CD1-CD1 3.73Å; L52-L69 HydrophobicContact CD1-CD2 3.26Å; L52-L69 HydrophobicContact CD1-CG 4.04Å; L52-L69 HydrophobicContact CG-CD2 4.46Å; I55-L69 HydrophobicContact CD1-CD2 4.48Å; I55-L69 HydrophobicContact CD1-CG 4.29Å; I65-L69 HydrophobicContact CG2-CD1 3.78Å; I65-L69 VanDerWaalsContact O-CB 3.29Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 WeakPolarHBondContact O-CG 3.2Å; I65-L69 PolarHBondContact O-N 3.45Å; V66-L69 PolarHBondContact O-N 2.86Å; I67-L69 PolarHBondContact O-N 3.43Å; L69-G71 VanDerWaalsContact C-N 3.35Å; L69-I72 PolarHBondContact O-N 3.35Å; L69-S73 WeakPolarHBondContact O-CB 3.4Å; L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 3.38Å
70	S	58.4	Low	60.6	Low	32 Å²	32	58.3 Å²	58.3	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-41.2	174.7	-56.3	0	0	0	0	110.7	V66 I67 L68 S73 L74	V66-S70 WeakPolarHBondContact O-CB 3.35Å; V66-S70 PolarHBondContact O-N 3.5Å; V66-S70 PolarHBondContact O-OG 3.25Å; I67-S70 PolarHBondContact O-N 3.46Å; L68-S70 PolarHBondContact O-N 2.81Å; S70-S73 PolarHBondContact O-N 2.9Å; S70-L74 PolarHBondContact O-N 3.26Å
71	G	64.5	Low	61.1	Low	38 Å²	38	53.7 Å²	53.7	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.2	0	0	0	0	0	112.8	I67 L68 L69 L74 F75	I67-G71 PolarHBondContact O-N 2.98Å; L68-G71 PolarHBondContact O-N 3.32Å; L69-G71 VanDerWaalsContact C-N 3.35Å; G71-L74 PolarHBondContact O-N 3.41Å; G71-F75 WeakPolarHBondContact O-CB 3.34Å; G71-F75 PolarHBondContact O-N 2.94Å
72	I	66.9	Low	61.6	Low	16 Å²	16	58.3 Å²	58.3	8%	0.082	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-43.3	176.6	-70.1	154.5	0	0	0	111	F48 L51 I55 L68 L69 L74 F75 M76	F48-I72 HydrophobicContact CD2-CG2 4.23Å; L51-I72 HydrophobicContact CB-CD1 4Å; L51-I72 HydrophobicContact CB-CG2 4.33Å; L51-I72 HydrophobicContact CD1-CD1 4.46Å; L51-I72 HydrophobicContact CD1-CG1 4.3Å; L51-I72 HydrophobicContact CD1-CG2 3.9Å; L51-I72 HydrophobicContact CD2-CD1 3.76Å; L51-I72 HydrophobicContact CD2-CG1 4.21Å; L51-I72 HydrophobicContact CG-CD1 4.29Å; I55-I72 HydrophobicContact CD1-CD1 3.36Å; L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 2.95Å; L68-I72 PolarHBondContact O-N 2.8Å; L69-I72 PolarHBondContact O-N 3.35Å; I72-L74 PolarHBondContact O-N 3.23Å; I72-F75 PolarHBondContact O-N 3.49Å; I72-M76 HydrophobicContact CG2-CE 4.45Å; I72-M76 HydrophobicContact CG2-CG 4.28Å; I72-M76 WeakPolarHBondContact O-CB 3Å; I72-M76 VanDerWaalsContact O-CG 3.27Å; I72-M76 WeakPolarHBondContact O-CG 3.36Å; I72-M76 PolarHBondContact O-N 3.45Å
73	S	64.4	Low	62	Low	4 Å²	4	54.3 Å²	54.3	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-42.9	178.5	-58.1	0	0	0	0	111.8	P24 L69 S70 M76 C77	P24-S73 WeakPolarHBondContact CA-OG 3.3Å; P24-S73 WeakPolarHBondContact CB-OG 3.49Å; L69-S73 WeakPolarHBondContact O-CB 3.4Å; L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 3.38Å; S70-S73 PolarHBondContact O-N 2.9Å; S73-M76 PolarHBondContact O-N 2.99Å; S73-C77 PolarHBondContact O-N 2.89Å
74	L	61.4	Low	62.3	Low	65 Å²	65	52.2 Å²	52.2	34%	0.34	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.6	-82.5	160.7	0	0	0	112.2	M27 S70 G71 I72 S78	M27-L74 HydrophobicContact CE-CD2 3.85Å; M27-L74 HydrophobicContact CE-CG 3.91Å; S70-L74 PolarHBondContact O-N 3.26Å; G71-L74 PolarHBondContact O-N 3.41Å; I72-L74 PolarHBondContact O-N 3.23Å; L74-S78 VanDerWaalsContact O-CB 3.29Å; L74-S78 WeakPolarHBondContact O-CB 3.32Å; L74-S78 PolarHBondContact O-N 3.49Å
75	F	68.5	Low	62.3	Low	128 Å²	128	55 Å²	55	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-46.1	176.4	-179.3	-104.4	0	0	0	111.6	G71 I72 S78 L79	G71-F75 WeakPolarHBondContact O-CB 3.34Å; G71-F75 PolarHBondContact O-N 2.94Å; I72-F75 PolarHBondContact O-N 3.49Å; F75-S78 WeakPolarHBondContact O-CB 2.95Å; F75-S78 PolarHBondContact O-N 3.28Å; F75-L79 HydrophobicContact CD1-CD1 3.8Å; F75-L79 HydrophobicContact CE1-CD1 3.23Å; F75-L79 HydrophobicContact CE1-CG 4.21Å; F75-L79 HydrophobicContact CE2-CD1 4.43Å; F75-L79 HydrophobicContact CZ-CD1 3.6Å; F75-L79 HydrophobicContact CZ-CG 4.2Å; F75-L79 PolarHBondContact O-N 3.36Å
76	M	64.7	Low	62.1	Low	9 Å²	9	57.7 Å²	57.7	4%	0.044	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-44.5	178.4	-70.9	-59	163.6	0	0	112.1	V44 L47 L51 I72 S73 S78 L79 Y80	V44-M76 HydrophobicContact CG1-CB 3.87Å; V44-M76 HydrophobicContact CG1-CG 4.09Å; V44-M76 HydrophobicContact CG1-SD 3.91Å; L47-M76 HydrophobicContact CB-CE 3.57Å; L47-M76 HydrophobicContact CB-SD 4.27Å; L47-M76 HydrophobicContact CD1-CE 4.15Å; L47-M76 HydrophobicContact CD2-CE 4.34Å; L47-M76 HydrophobicContact CG-CE 4.24Å; L51-M76 HydrophobicContact CD1-CE 3.92Å; I72-M76 HydrophobicContact CG2-CE 4.45Å; I72-M76 HydrophobicContact CG2-CG 4.28Å; I72-M76 WeakPolarHBondContact O-CB 3Å; I72-M76 VanDerWaalsContact O-CG 3.27Å; I72-M76 WeakPolarHBondContact O-CG 3.36Å; I72-M76 PolarHBondContact O-N 3.45Å; S73-M76 PolarHBondContact O-N 2.99Å; M76-S78 VanDerWaalsContact C-N 3.31Å; M76-S78 PolarHBondContact O-N 3.24Å; M76-L79 PolarHBondContact O-N 2.89Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; M76-Y80 WeakPolarHBondContact O-CB 3.45Å; M76-Y80 PolarHBondContact O-N 2.85Å
77	C	64.7	Low	61.4	Low	4 Å²	4	60.5 Å²	60.5	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-28.9	176.2	-77.2	0	0	0	0	112.7	L7 C31 S73 Y80 S81	L7-C77 HydrophobicContact CD1-CB 3.52Å; L7-C77 VanDerWaalsContact CD1-SG 3.57Å; C31-C77 WeakPolarHBondContact CB-SG 3.39Å; C31-C77 WeakPolarHBondContact SG-CB 3.48Å; C31-C77 CovalentContact SG-SG 2.06Å; C31-C77 PolarHBondContact SG-SG 3.32Å; S73-C77 PolarHBondContact O-N 2.89Å; C77-Y80 PolarHBondContact O-N 2.89Å; C77-S81 WeakPolarHBondContact O-CB 3.43Å; C77-S81 PolarHBondContact O-N 3.4Å
78	S	67.3	Low	60.6	Low	46 Å²	46	64.6 Å²	64.6	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-68.5	-45.9	172.4	-173.1	0	0	0	0	111.9	L74 F75 M76 Y80 S81 K82	L74-S78 VanDerWaalsContact O-CB 3.29Å; L74-S78 WeakPolarHBondContact O-CB 3.32Å; L74-S78 PolarHBondContact O-N 3.49Å; F75-S78 WeakPolarHBondContact O-CB 2.95Å; F75-S78 PolarHBondContact O-N 3.28Å; M76-S78 VanDerWaalsContact C-N 3.31Å; M76-S78 PolarHBondContact O-N 3.24Å; S78-Y80 VanDerWaalsContact C-N 3.3Å; S78-Y80 PolarHBondContact O-N 3.44Å; S78-S81 PolarHBondContact O-N 3.24Å; S78-K82 PolarHBondContact O-N 3.33Å
79	L	65.2	Low	60.6	Low	63 Å²	63	63.3 Å²	63.3	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-56.7	-45.8	170.9	-91.9	168.9	0	0	0	111.1	F75 M76 S81 K82 L83	F75-L79 HydrophobicContact CD1-CD1 3.8Å; F75-L79 HydrophobicContact CE1-CD1 3.23Å; F75-L79 HydrophobicContact CE1-CG 4.21Å; F75-L79 HydrophobicContact CE2-CD1 4.43Å; F75-L79 HydrophobicContact CZ-CD1 3.6Å; F75-L79 HydrophobicContact CZ-CG 4.2Å; F75-L79 PolarHBondContact O-N 3.36Å; M76-L79 PolarHBondContact O-N 2.89Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; L79-S81 PolarHBondContact O-N 2.75Å; L79-K82 PolarHBondContact O-N 2.94Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3.24Å
80	Y	63.3	Low	60.5	Low	12 Å²	12	66.4 Å²	66.4	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-45.5	178.3	-158	-83.5	0	0	0	111.6	S35 F41 V44 M76 C77 S78 K82 L83 N84	S35-Y80 WeakPolarHBondContact CA-OH 3.48Å; S35-Y80 VanDerWaalsContact CB-CZ 3.49Å; S35-Y80 WeakPolarHBondContact CB-OH 3.3Å; S35-Y80 PolarHBondContact OG-OH 3.2Å; F41-Y80 HydrophobicContact CD2-CE2 4.37Å; V44-Y80 HydrophobicContact CG2-CD2 4.45Å; M76-Y80 WeakPolarHBondContact O-CB 3.45Å; M76-Y80 PolarHBondContact O-N 2.85Å; C77-Y80 PolarHBondContact O-N 2.89Å; S78-Y80 VanDerWaalsContact C-N 3.3Å; S78-Y80 PolarHBondContact O-N 3.44Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.4Å; Y80-L83 PolarHBondContact O-N 2.88Å; Y80-N84 HydrophobicContact CE1-CB 4.31Å; Y80-N84 WeakPolarHBondContact O-CB 3.45Å; Y80-N84 PolarHBondContact O-N 3.01Å
81	S	63.9	Low	60.6	Low	30 Å²	30	68.3 Å²	68.3	21%	0.21	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-36.6	177.4	-169.6	0	0	0	0	112.4	C77 S78 L79 Q85	C77-S81 WeakPolarHBondContact O-CB 3.43Å; C77-S81 PolarHBondContact O-N 3.4Å; S78-S81 PolarHBondContact O-N 3.24Å; L79-S81 PolarHBondContact O-N 2.75Å; S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.39Å; S81-Q85 PolarHBondContact O-N 3.41Å
82	K	65.3	Low	60.4	Low	145 Å²	145	70.1 Å²	70.1	63%	0.63	39%	0.389	S	S	*	.	H	α-helix	trans	-69.9	-41	175.5	-76.4	-177.8	175.9	-178.1	0	112.2	S78 L79 Y80 Q85 S86	S78-K82 PolarHBondContact O-N 3.33Å; L79-K82 PolarHBondContact O-N 2.94Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.4Å; K82-Q85 PolarHBondContact O-N 3.41Å; K82-S86 PolarHBondContact O-N 3.43Å; K82-S86 PolarHBondContact O-OG 2.82Å
83	L	61.9	Low	60	Low	85 Å²	85	73.5 Å²	73.5	45%	0.445	41%	0.408	S	S	.	.	H	α-helix	trans	-66.6	-38.9	177.3	-77.6	163.8	0	0	0	112.4	L79 Y80 Q85 S86	L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3.24Å; Y80-L83 PolarHBondContact O-N 2.88Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.3Å; L83-S86 WeakPolarHBondContact CA-OG 3.48Å; L83-S86 PolarHBondContact O-N 3.47Å; L83-S86 PolarHBondContact O-OG 2.97Å
84	N	59.7	Low	59.7	Low	70 Å²	70	78.1 Å²	78.1	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-77.5	-17.5	-179.8	-136.2	21.5	0	0	0	112.8	Y80	Y80-N84 HydrophobicContact CE1-CB 4.31Å; Y80-N84 WeakPolarHBondContact O-CB 3.45Å; Y80-N84 PolarHBondContact O-N 3.01Å
85	Q	55.3	Low	59.6	Low	144 Å²	144	79.1 Å²	79.1	67%	0.673	44%	0.44	S	S	*	.	H	α-helix	trans	-82.6	-14.8	171.1	-78.9	178.4	0.2	0	0	113.4	S81 K82 L83	S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.39Å; S81-Q85 PolarHBondContact O-N 3.41Å; K82-Q85 PolarHBondContact O-N 3.41Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.3Å
86	S	52.1	Low	58.9	Low	89 Å²	89	75.3 Å²	75.3	62%	0.622	43%	0.43	S	S	*	.	S	Bend	trans	-93.2	2.2	-179.7	23.6	0	0	0	0	113.4	K82 L83	K82-S86 PolarHBondContact O-N 3.43Å; K82-S86 PolarHBondContact O-OG 2.82Å; L83-S86 WeakPolarHBondContact CA-OG 3.48Å; L83-S86 PolarHBondContact O-N 3.47Å; L83-S86 PolarHBondContact O-OG 2.97Å
87	S	38.2	Very low	58.4	Low	78 Å²	78	80.8 Å²	80.8	55%	0.545	46%	0.463	S	S	.	.			trans	-103.4	123.7	172	-52.1	0	0	0	0	109.4
88	P	44.3	Very low	57.9	Low	204 Å²	204	87.8 Å²	87.8	100%	1.325	50%	0.502	S	S	*	.			trans	-65	0	-178.6	26.9	-33.7	0	0	0	113.7

Retrieved 88 of 88 residues in 246.1 ms (Link to these results)

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