A0A077ZCT4_TRITR Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077ZCT4_TRITR|A0A077ZCT4
MFDRVLLQIIACVTLGLSAEYSDDYTVAIIIGSGSLTLLYALVGILLEVGILSKCPESRGNCYIADALCASFCLCLWLLSAGNGITISLRSGAKTTELFGWIAVSLEVILFISAAGLYCFQWLSLRFKS
					

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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	48.5	Very low	60.6	Low	151 Å²	151	71.4 Å²	71.4	74%	0.744	35%	0.352	S	S	*	.				0	-55.5	0	-158.7	175.3	-174.2	0	0	113.8	D3 R4 V5	M1-D3 VanDerWaalsContact C-N 3.35Å; M1-D3 PolarHBondContact O-N 3.38Å; M1-R4 PolarHBondContact O-N 3.5Å; M1-V5 PolarHBondContact O-N 2.96Å
2	F	48.8	Very low	60.7	Low	193 Å²	193	71.8 Å²	71.8	85%	0.846	37%	0.366	S	S	*	.	H	α-helix	trans	-54.1	-44.7	-176.8	-116.6	-88.5	0	0	0	114	R4 V5 L6	F2-R4 PolarHBondContact O-N 3.05Å; F2-V5 PolarHBondContact O-N 3.49Å; F2-L6 WeakPolarHBondContact O-CB 3.18Å; F2-L6 PolarHBondContact O-N 3.3Å
3	D	57.6	Low	61.1	Low	60 Å²	60	72.6 Å²	72.6	32%	0.321	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-33	178.9	-124.4	1.4	0	0	0	113	M1 L7 L74	M1-D3 VanDerWaalsContact C-N 3.35Å; M1-D3 PolarHBondContact O-N 3.38Å; D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 PolarHBondContact O-N 3.4Å; D3-L74 HydrophobicContact CB-CD1 4.12Å; D3-L74 WeakPolarHBondContact OD1-CD1 3.03Å
4	R	57.6	Low	61.4	Low	21 Å²	21	68.4 Å²	68.4	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-82.2	-37.5	-176.6	-63.2	-177.6	178.1	-171.8	-10.6	112.7	M1 F2 L6 L7 Q8 G44 E48 D66	M1-R4 PolarHBondContact O-N 3.5Å; F2-R4 PolarHBondContact O-N 3.05Å; R4-L6 VanDerWaalsContact C-N 3.27Å; R4-L7 WeakPolarHBondContact O-CB 3.39Å; R4-L7 PolarHBondContact O-N 3.22Å; R4-Q8 PolarHBondContact O-N 2.86Å; R4-G44 VanDerWaalsContact CZ-C 3.43Å; R4-G44 VanDerWaalsContact CZ-O 3.28Å; R4-G44 PolarHBondContact NH1-O 3.36Å; R4-G44 PolarHBondContact NH2-O 3.37Å; R4-E48 IonicContact CZ-OE2 2.84Å; R4-E48 IonicContact NE-OE2 3.97Å; R4-E48 IonicContact NH1-OE2 3.8Å; R4-E48 PolarHBondContact NH1-OE2 3.08Å; R4-D66 IonicContact CZ-OD2 3.45Å; R4-D66 IonicContact NH2-OD1 2.76Å; R4-D66 PolarHBondContact NH2-OD1 3.48Å; R4-D66 IonicContact NH2-OD2 2.67Å; R4-D66 PolarHBondContact NH2-OD2 2.9Å
5	V	65.6	Low	61.4	Low	65 Å²	65	67.5 Å²	67.5	39%	0.394	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-41.7	170.9	177.8	0	0	0	0	109.1	M1 F2 L7 Q8 I9	M1-V5 PolarHBondContact O-N 2.96Å; F2-V5 PolarHBondContact O-N 3.49Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 2.92Å; V5-Q8 PolarHBondContact O-N 2.82Å; V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.45Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.09Å
6	L	62.7	Low	61.5	Low	87 Å²	87	65.8 Å²	65.8	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-44.8	173.5	-173.1	64.8	0	0	0	111.3	F2 R4 Q8 I9 I10	F2-L6 WeakPolarHBondContact O-CB 3.18Å; F2-L6 PolarHBondContact O-N 3.3Å; R4-L6 VanDerWaalsContact C-N 3.27Å; L6-Q8 PolarHBondContact O-N 2.91Å; L6-I9 PolarHBondContact O-N 3.03Å; L6-I10 HydrophobicContact CD1-CD1 4.29Å; L6-I10 HydrophobicContact CG-CD1 3.85Å; L6-I10 HydrophobicContact CG-CG1 4.47Å; L6-I10 VanDerWaalsContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.35Å
7	L	62.1	Low	61.6	Low	5 Å²	5	66.5 Å²	66.5	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-43	175.3	-135.2	138	0	0	0	112.7	D3 R4 V5 A11 T37 Y40 A41 L74	D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 PolarHBondContact O-N 3.4Å; R4-L7 WeakPolarHBondContact O-CB 3.39Å; R4-L7 PolarHBondContact O-N 3.22Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 2.92Å; L7-A11 WeakPolarHBondContact O-CB 3.29Å; L7-A11 PolarHBondContact O-N 2.88Å; L7-T37 HydrophobicContact CD2-CG2 3.45Å; L7-T37 VanDerWaalsContact CD2-CG2 3.45Å; L7-T37 WeakPolarHBondContact CD2-O 3.4Å; L7-T37 HydrophobicContact CG-CG2 4.27Å; L7-Y40 HydrophobicContact CD1-CD1 4.15Å; L7-Y40 HydrophobicContact CD1-CE1 4.21Å; L7-Y40 HydrophobicContact CD2-CD1 3.96Å; L7-A41 HydrophobicContact CB-CB 4.38Å; L7-A41 HydrophobicContact CD2-CB 3.76Å; L7-L74 HydrophobicContact CB-CD2 4.18Å; L7-L74 HydrophobicContact CD1-CD1 3.89Å; L7-L74 HydrophobicContact CD1-CD2 3.24Å; L7-L74 HydrophobicContact CD1-CG 3.34Å; L7-L74 HydrophobicContact CG-CD2 3.45Å; L7-L74 VanDerWaalsContact CG-CD2 3.45Å; L7-L74 HydrophobicContact CG-CG 4.15Å
8	Q	64.6	Low	61.5	Low	75 Å²	75	63.1 Å²	63.1	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-44.2	175.8	-78.2	179.4	-25.7	0	0	112.3	R4 V5 L6 I10 A11 C12 A41	R4-Q8 PolarHBondContact O-N 2.86Å; V5-Q8 PolarHBondContact O-N 2.82Å; L6-Q8 PolarHBondContact O-N 2.91Å; Q8-I10 VanDerWaalsContact C-N 3.3Å; Q8-I10 PolarHBondContact O-N 3.28Å; Q8-A11 PolarHBondContact O-N 3.37Å; Q8-C12 WeakPolarHBondContact O-CB 3.35Å; Q8-C12 PolarHBondContact O-N 2.83Å; Q8-C12 PolarHBondContact O-SG 3.08Å; Q8-C12 VanDerWaalsContact O-SG 3.4Å; Q8-A41 HydrophobicContact CG-CB 3.95Å
9	I	68.2	Low	61.2	Low	94 Å²	94	63.8 Å²	63.8	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-47.6	176.5	-70	165.9	0	0	0	109.4	V5 L6 C12 V13	V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.45Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.09Å; L6-I9 PolarHBondContact O-N 3.03Å; I9-C12 PolarHBondContact O-N 3.33Å; I9-V13 HydrophobicContact CG2-CG2 4.41Å; I9-V13 VanDerWaalsContact O-CG2 3.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.49Å; I9-V13 PolarHBondContact O-N 3.42Å
10	I	65.3	Low	61.2	Low	34 Å²	34	67.9 Å²	67.9	17%	0.174	37%	0.371	C	S	.	.	H	α-helix	trans	-58.9	-50.2	177.8	-74	172	0	0	0	110.6	L6 Q8 C12 V13 T14 W77	L6-I10 HydrophobicContact CD1-CD1 4.29Å; L6-I10 HydrophobicContact CG-CD1 3.85Å; L6-I10 HydrophobicContact CG-CG1 4.47Å; L6-I10 VanDerWaalsContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CB 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.35Å; Q8-I10 VanDerWaalsContact C-N 3.3Å; Q8-I10 PolarHBondContact O-N 3.28Å; I10-C12 VanDerWaalsContact C-N 3.32Å; I10-C12 PolarHBondContact O-N 3.46Å; I10-V13 PolarHBondContact O-N 3.03Å; I10-V13 VanDerWaalsContact O-N 3.12Å; I10-T14 PolarHBondContact O-N 3.29Å; I10-T14 PolarHBondContact O-OG1 2.8Å; I10-W77 HydrophobicContact CB-CZ3 4.47Å; I10-W77 HydrophobicContact CG2-CE3 3.93Å; I10-W77 HydrophobicContact CG2-CH2 3.13Å; I10-W77 HydrophobicContact CG2-CZ2 4.17Å; I10-W77 HydrophobicContact CG2-CZ3 3.01Å
11	A	65.2	Low	61	Low	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-42.1	177.8	0	0	0	0	0	112.3	L7 Q8 T14 L15 T37 L38	L7-A11 WeakPolarHBondContact O-CB 3.29Å; L7-A11 PolarHBondContact O-N 2.88Å; Q8-A11 PolarHBondContact O-N 3.37Å; A11-T14 PolarHBondContact O-N 2.8Å; A11-L15 WeakPolarHBondContact O-CG 3.46Å; A11-L15 PolarHBondContact O-N 2.92Å; A11-T37 HydrophobicContact CB-CG2 4.08Å; A11-L38 HydrophobicContact CB-CB 4.07Å
12	C	61.9	Low	61.2	Low	77 Å²	77	68 Å²	68	52%	0.52	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-41.2	175.2	-74.4	0	0	0	0	112.3	Q8 I9 I10 L15 G16	Q8-C12 WeakPolarHBondContact O-CB 3.35Å; Q8-C12 PolarHBondContact O-N 2.83Å; Q8-C12 PolarHBondContact O-SG 3.08Å; Q8-C12 VanDerWaalsContact O-SG 3.4Å; I9-C12 PolarHBondContact O-N 3.33Å; I10-C12 VanDerWaalsContact C-N 3.32Å; I10-C12 PolarHBondContact O-N 3.46Å; C12-L15 PolarHBondContact O-N 3.49Å; C12-G16 PolarHBondContact O-N 3.05Å
13	V	65.8	Low	61.6	Low	82 Å²	82	66.1 Å²	66.1	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175.7	170.6	0	0	0	0	110.4	I9 I10 G16 L17	I9-V13 HydrophobicContact CG2-CG2 4.41Å; I9-V13 VanDerWaalsContact O-CG2 3.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.49Å; I9-V13 PolarHBondContact O-N 3.42Å; I10-V13 PolarHBondContact O-N 3.03Å; I10-V13 VanDerWaalsContact O-N 3.12Å; V13-G16 PolarHBondContact O-N 3.24Å; V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 HydrophobicContact CG1-CG 4.41Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 2.93Å
14	T	65.1	Low	61.7	Low	14 Å²	14	67.5 Å²	67.5	9%	0.086	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-44.8	177	-55.1	0	0	0	0	111.7	I10 A11 L17 S18 I30 W77	I10-T14 PolarHBondContact O-N 3.29Å; I10-T14 PolarHBondContact O-OG1 2.8Å; A11-T14 PolarHBondContact O-N 2.8Å; T14-L17 PolarHBondContact O-N 2.84Å; T14-S18 PolarHBondContact O-N 2.9Å; T14-S18 VanDerWaalsContact O-N 3.08Å; T14-I30 HydrophobicContact CG2-CG2 3.46Å; T14-I30 VanDerWaalsContact CG2-CG2 3.46Å; T14-I30 WeakPolarHBondContact O-CG2 3.26Å; T14-W77 HydrophobicContact CG2-CZ2 4.45Å; T14-W77 WeakPolarHBondContact OG1-CH2 3.48Å
15	L	61.9	Low	61.6	Low	55 Å²	55	70.4 Å²	70.4	29%	0.288	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-38.8	174.1	-70.2	172.2	0	0	0	112.1	A11 C12 S18 A19 I31 L38	A11-L15 WeakPolarHBondContact O-CG 3.46Å; A11-L15 PolarHBondContact O-N 2.92Å; C12-L15 PolarHBondContact O-N 3.49Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 2.84Å; L15-A19 PolarHBondContact O-N 3.35Å; L15-I31 HydrophobicContact CD2-CB 4.49Å; L15-I31 HydrophobicContact CD2-CG2 4.2Å; L15-L38 HydrophobicContact CD1-CD1 4.13Å
16	G	62.7	Low	61.2	Low	40 Å²	40	68.3 Å²	68.3	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-48.1	175.8	0	0	0	0	0	112.6	C12 V13 S18 A19	C12-G16 PolarHBondContact O-N 3.05Å; V13-G16 PolarHBondContact O-N 3.24Å; G16-S18 PolarHBondContact O-N 3.32Å; G16-A19 WeakPolarHBondContact O-CB 3.43Å; G16-A19 PolarHBondContact O-N 3.43Å
17	L	63.3	Low	61	Low	77 Å²	77	64.8 Å²	64.8	40%	0.403	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-33.5	176.6	-70	170.6	0	0	0	112.1	V13 T14 A19 E20 Y21	V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 HydrophobicContact CG1-CG 4.41Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 2.93Å; T14-L17 PolarHBondContact O-N 2.84Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.39Å; L17-E20 PolarHBondContact O-N 3.49Å; L17-Y21 WeakPolarHBondContact O-CD2 3.35Å
18	S	60.4	Low	60.7	Low	5 Å²	5	67.9 Å²	67.9	4%	0.035	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-32.9	178.1	80.8	0	0	0	0	113.3	T14 L15 G16 E20 Y21 V27 I31	T14-S18 PolarHBondContact O-N 2.9Å; T14-S18 VanDerWaalsContact O-N 3.08Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 2.84Å; G16-S18 PolarHBondContact O-N 3.32Å; S18-E20 VanDerWaalsContact C-N 3.27Å; S18-E20 PolarHBondContact O-N 3.01Å; S18-Y21 PolarHBondContact O-N 3.38Å; S18-V27 VanDerWaalsContact O-CG1 3.28Å; S18-V27 WeakPolarHBondContact O-CG1 3.22Å; S18-V27 WeakPolarHBondContact O-CG2 3.19Å; S18-I31 WeakPolarHBondContact OG-CG1 3.37Å
19	A	56.1	Low	60.6	Low	77 Å²	77	65.6 Å²	65.6	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-68.2	-28.3	177.5	0	0	0	0	0	112.2	L15 G16 L17	L15-A19 PolarHBondContact O-N 3.35Å; G16-A19 WeakPolarHBondContact O-CB 3.43Å; G16-A19 PolarHBondContact O-N 3.43Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.39Å
20	E	60.3	Low	60.5	Low	145 Å²	145	62.3 Å²	62.3	68%	0.678	36%	0.358	S	S	*	.	H	α-helix	trans	-71.4	-28.2	177.9	-66.4	-176.1	161.8	0	0	113	L17 S18	L17-E20 PolarHBondContact O-N 3.49Å; S18-E20 VanDerWaalsContact C-N 3.27Å; S18-E20 PolarHBondContact O-N 3.01Å
21	Y	57.2	Low	60.2	Low	141 Å²	141	64.1 Å²	64.1	55%	0.553	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	18.7	-174.9	-71.5	-85.7	0	0	0	113.9	L17 S18 D23 D24 V27	L17-Y21 WeakPolarHBondContact O-CD2 3.35Å; S18-Y21 PolarHBondContact O-N 3.38Å; Y21-D23 PolarHBondContact O-N 2.95Å; Y21-D24 PolarHBondContact O-N 2.94Å; Y21-V27 WeakPolarHBondContact O-CG2 3.34Å
22	S	53.1	Low	60.2	Low	80 Å²	80	65 Å²	65	56%	0.559	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-29.7	-37.5	-169.7	164.2	0	0	0	0	117.7	D24	S22-D24 PolarHBondContact O-N 3.43Å
23	D	57.4	Low	60.6	Low	155 Å²	155	61.8 Å²	61.8	83%	0.829	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.2	-167.5	-64.7	-22.8	0	0	0	114.6	Y21	Y21-D23 PolarHBondContact O-N 2.95Å
24	D	59.4	Low	60.6	Low	88 Å²	88	57.9 Å²	57.9	47%	0.471	33%	0.331	S	S	.	.	S	Bend	trans	-107.6	143.3	-179.7	-78.3	-42.4	0	0	0	113.1	Y21 S22 T26 V27	Y21-D24 PolarHBondContact O-N 2.94Å; S22-D24 PolarHBondContact O-N 3.43Å; D24-T26 PolarHBondContact O-N 2.88Å; D24-V27 VanDerWaalsContact O-CB 3.26Å; D24-V27 WeakPolarHBondContact O-CB 3.37Å; D24-V27 PolarHBondContact O-N 3.02Å
25	Y	54.6	Low	60.5	Low	83 Å²	83	59.9 Å²	59.9	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-51.6	-22.1	169.3	60.6	-83.6	0	0	0	112.6	V27 A28 I29 A93 T96	Y25-V27 PolarHBondContact O-N 2.88Å; Y25-A28 WeakPolarHBondContact O-CB 3.08Å; Y25-A28 PolarHBondContact O-N 3.29Å; Y25-A28 VanDerWaalsContact O-N 3.12Å; Y25-I29 HydrophobicContact CD2-CD1 4.24Å; Y25-I29 PolarHBondContact O-N 3.47Å; Y25-A93 HydrophobicContact CD1-CB 4.45Å; Y25-A93 HydrophobicContact CE1-CB 3.41Å; Y25-A93 VanDerWaalsContact CE1-CB 3.41Å; Y25-A93 WeakPolarHBondContact OH-CA 3.45Å; Y25-A93 WeakPolarHBondContact OH-CB 3.42Å; Y25-T96 WeakPolarHBondContact CE2-OG1 3.47Å; Y25-T96 VanDerWaalsContact CZ-OG1 3.24Å; Y25-T96 PolarHBondContact OH-OG1 3.29Å
26	T	57.2	Low	60.6	Low	21 Å²	21	59 Å²	59	13%	0.129	34%	0.341	C	S	.	.	H	α-helix	trans	-51.4	-37.1	168.4	-49.3	0	0	0	0	111.9	D24 I29 I30	D24-T26 PolarHBondContact O-N 2.88Å; T26-I29 WeakPolarHBondContact O-CB 3.26Å; T26-I29 PolarHBondContact O-N 3.38Å; T26-I30 HydrophobicContact CG2-CD1 3.98Å; T26-I30 VanDerWaalsContact O-CG1 3.25Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.86Å
27	V	59.2	Low	60.9	Low	13 Å²	13	57.5 Å²	57.5	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-42.8	177	171.6	0	0	0	0	112	S18 Y21 D24 Y25 I29 I30 I31	S18-V27 VanDerWaalsContact O-CG1 3.28Å; S18-V27 WeakPolarHBondContact O-CG1 3.22Å; S18-V27 WeakPolarHBondContact O-CG2 3.19Å; Y21-V27 WeakPolarHBondContact O-CG2 3.34Å; D24-V27 VanDerWaalsContact O-CB 3.26Å; D24-V27 WeakPolarHBondContact O-CB 3.37Å; D24-V27 PolarHBondContact O-N 3.02Å; Y25-V27 PolarHBondContact O-N 2.88Å; V27-I29 PolarHBondContact O-N 3.4Å; V27-I30 PolarHBondContact O-N 3.39Å; V27-I30 VanDerWaalsContact O-N 3.14Å; V27-I31 HydrophobicContact CG1-CD1 3.42Å; V27-I31 VanDerWaalsContact CG1-CD1 3.42Å; V27-I31 HydrophobicContact CG1-CG1 3.95Å; V27-I31 WeakPolarHBondContact O-CB 3.37Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.48Å; V27-I31 PolarHBondContact O-N 2.83Å
28	A	56	Low	60.9	Low	70 Å²	70	56.5 Å²	56.5	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-59.6	-37.5	178	0	0	0	0	0	111.1	Y25 G32	Y25-A28 WeakPolarHBondContact O-CB 3.08Å; Y25-A28 PolarHBondContact O-N 3.29Å; Y25-A28 VanDerWaalsContact O-N 3.12Å; A28-G32 PolarHBondContact O-N 3.29Å
29	I	62.3	Low	61.2	Low	26 Å²	26	60.4 Å²	60.4	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-47.7	174.9	-65.5	157.9	0	0	0	110.9	Y25 T26 V27 G32 S33 T96	Y25-I29 HydrophobicContact CD2-CD1 4.24Å; Y25-I29 PolarHBondContact O-N 3.47Å; T26-I29 WeakPolarHBondContact O-CB 3.26Å; T26-I29 PolarHBondContact O-N 3.38Å; V27-I29 PolarHBondContact O-N 3.4Å; I29-G32 PolarHBondContact O-N 2.92Å; I29-S33 WeakPolarHBondContact O-CB 3.29Å; I29-S33 PolarHBondContact O-N 3.44Å; I29-S33 PolarHBondContact O-OG 2.9Å; I29-T96 WeakPolarHBondContact CD1-O 3.26Å
30	I	65.6	Low	61.7	Low	26 Å²	26	58.4 Å²	58.4	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-44.9	179.3	-65.6	168.6	0	0	0	110.5	T14 T26 V27 S33 G34	T14-I30 HydrophobicContact CG2-CG2 3.46Å; T14-I30 VanDerWaalsContact CG2-CG2 3.46Å; T14-I30 WeakPolarHBondContact O-CG2 3.26Å; T26-I30 HydrophobicContact CG2-CD1 3.98Å; T26-I30 VanDerWaalsContact O-CG1 3.25Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.86Å; V27-I30 PolarHBondContact O-N 3.39Å; V27-I30 VanDerWaalsContact O-N 3.14Å; I30-S33 WeakPolarHBondContact CA-OG 3.39Å; I30-S33 PolarHBondContact O-N 2.88Å; I30-S33 PolarHBondContact O-OG 3.24Å; I30-G34 PolarHBondContact O-N 3.45Å
31	I	60.2	Low	62.1	Low	72 Å²	72	51.6 Å²	51.6	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-46.3	175.5	-66.9	174.7	0	0	0	110.9	L15 S18 V27 S33 G34 S35	L15-I31 HydrophobicContact CD2-CB 4.49Å; L15-I31 HydrophobicContact CD2-CG2 4.2Å; S18-I31 WeakPolarHBondContact OG-CG1 3.37Å; V27-I31 HydrophobicContact CG1-CD1 3.42Å; V27-I31 VanDerWaalsContact CG1-CD1 3.42Å; V27-I31 HydrophobicContact CG1-CG1 3.95Å; V27-I31 WeakPolarHBondContact O-CB 3.37Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.48Å; V27-I31 PolarHBondContact O-N 2.83Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.46Å; I31-G34 PolarHBondContact O-N 3.37Å; I31-S35 VanDerWaalsContact O-CB 3.29Å; I31-S35 WeakPolarHBondContact O-CB 3.35Å; I31-S35 PolarHBondContact O-N 3.46Å; I31-S35 PolarHBondContact O-OG 3.39Å
32	G	64.5	Low	62.5	Low	19 Å²	19	49 Å²	49	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-54.7	-51.3	176.1	0	0	0	0	0	110.7	A28 I29 S35 L36	A28-G32 PolarHBondContact O-N 3.29Å; I29-G32 PolarHBondContact O-N 2.92Å; G32-S35 PolarHBondContact O-N 2.92Å; G32-S35 PolarHBondContact O-OG 3.49Å; G32-L36 WeakPolarHBondContact O-CB 3.43Å; G32-L36 WeakPolarHBondContact O-CD1 3.48Å; G32-L36 PolarHBondContact O-N 3.48Å
33	S	69.5	Low	63.2	Low	8 Å²	8	47 Å²	47	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-45.9	178.1	65.5	0	0	0	0	113.6	I29 I30 I31 S35 L36 T37 E107	I29-S33 WeakPolarHBondContact O-CB 3.29Å; I29-S33 PolarHBondContact O-N 3.44Å; I29-S33 PolarHBondContact O-OG 2.9Å; I30-S33 WeakPolarHBondContact CA-OG 3.39Å; I30-S33 PolarHBondContact O-N 2.88Å; I30-S33 PolarHBondContact O-OG 3.24Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.46Å; S33-S35 PolarHBondContact O-N 3.38Å; S33-L36 PolarHBondContact O-N 2.73Å; S33-T37 WeakPolarHBondContact O-CB 3.27Å; S33-T37 PolarHBondContact O-N 3.23Å; S33-T37 PolarHBondContact O-OG1 2.84Å; S33-E107 WeakPolarHBondContact CA-OE1 3.25Å; S33-E107 VanDerWaalsContact CA-OE2 3.22Å; S33-E107 WeakPolarHBondContact CA-OE2 3.37Å; S33-E107 WeakPolarHBondContact CB-OE1 3.47Å
34	G	66.5	Low	63.8	Low	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-39.6	179.9	0	0	0	0	0	112.4	I30 I31 T37 L38	I30-G34 PolarHBondContact O-N 3.45Å; I31-G34 PolarHBondContact O-N 3.37Å; G34-T37 WeakPolarHBondContact O-CB 3.27Å; G34-T37 PolarHBondContact O-N 3.47Å; G34-L38 WeakPolarHBondContact O-CB 3.31Å; G34-L38 PolarHBondContact O-N 2.86Å
35	S	62.6	Low	64.1	Low	57 Å²	57	38.8 Å²	38.8	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-70.9	-40.5	178.7	56	0	0	0	0	112.7	I31 G32 S33 T37 L38 L39	I31-S35 VanDerWaalsContact O-CB 3.29Å; I31-S35 WeakPolarHBondContact O-CB 3.35Å; I31-S35 PolarHBondContact O-N 3.46Å; I31-S35 PolarHBondContact O-OG 3.39Å; G32-S35 PolarHBondContact O-N 2.92Å; G32-S35 PolarHBondContact O-OG 3.49Å; S33-S35 PolarHBondContact O-N 3.38Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact O-N 2.86Å; S35-L38 PolarHBondContact O-N 3.49Å; S35-L39 VanDerWaalsContact O-CB 3.32Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.02Å
36	L	64.2	Low	64.8	Low	37 Å²	37	40 Å²	40	19%	0.194	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-41.1	171.2	-94.2	143.6	0	0	0	111.9	G32 S33 L39 Y40 V104 E107 V108	G32-L36 WeakPolarHBondContact O-CB 3.43Å; G32-L36 WeakPolarHBondContact O-CD1 3.48Å; G32-L36 PolarHBondContact O-N 3.48Å; S33-L36 PolarHBondContact O-N 2.73Å; L36-L39 PolarHBondContact O-N 3.49Å; L36-Y40 WeakPolarHBondContact O-CB 3.49Å; L36-Y40 PolarHBondContact O-N 2.82Å; L36-V104 HydrophobicContact CD1-CG1 3.91Å; L36-E107 HydrophobicContact CB-CB 4.38Å; L36-E107 WeakPolarHBondContact CB-OE2 3.43Å; L36-E107 HydrophobicContact CD1-CB 4.42Å; L36-E107 WeakPolarHBondContact CD1-OE2 3.18Å; L36-E107 HydrophobicContact CD2-CB 4.35Å; L36-V108 HydrophobicContact CD1-CG2 4.28Å; L36-V108 HydrophobicContact CD2-CG2 3.87Å
37	T	68.7	Low	65.3	Low	7 Å²	7	40.5 Å²	40.5	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-44.1	176.2	-55.7	0	0	0	0	112	L7 A11 S33 G34 S35 L39 Y40 A41 W77	L7-T37 HydrophobicContact CD2-CG2 3.45Å; L7-T37 VanDerWaalsContact CD2-CG2 3.45Å; L7-T37 WeakPolarHBondContact CD2-O 3.4Å; L7-T37 HydrophobicContact CG-CG2 4.27Å; A11-T37 HydrophobicContact CB-CG2 4.08Å; S33-T37 WeakPolarHBondContact O-CB 3.27Å; S33-T37 PolarHBondContact O-N 3.23Å; S33-T37 PolarHBondContact O-OG1 2.84Å; G34-T37 WeakPolarHBondContact O-CB 3.27Å; G34-T37 PolarHBondContact O-N 3.47Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact O-N 2.86Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 2.95Å; T37-Y40 WeakPolarHBondContact O-CB 3.41Å; T37-Y40 PolarHBondContact O-N 2.76Å; T37-A41 PolarHBondContact O-N 3.28Å; T37-W77 HydrophobicContact CG2-CD2 4.26Å; T37-W77 HydrophobicContact CG2-CZ2 4.28Å; T37-W77 VanDerWaalsContact OG1-CD1 3.29Å; T37-W77 PolarHBondContact OG1-NE1 2.9Å
38	L	63.6	Low	65.6	Low	57 Å²	57	42 Å²	42	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-41.3	176.1	-160.4	155.4	0	0	0	110.6	A11 L15 G34 S35 A41 L42	A11-L38 HydrophobicContact CB-CB 4.07Å; L15-L38 HydrophobicContact CD1-CD1 4.13Å; G34-L38 WeakPolarHBondContact O-CB 3.31Å; G34-L38 PolarHBondContact O-N 2.86Å; S35-L38 PolarHBondContact O-N 3.49Å; L38-A41 WeakPolarHBondContact O-CB 3.42Å; L38-A41 PolarHBondContact O-N 2.69Å; L38-L42 HydrophobicContact CD2-CD1 4.35Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 2.67Å
39	L	66.4	Low	66	Low	86 Å²	86	43 Å²	43	45%	0.45	24%	0.239	S	C	.	.	H	α-helix	trans	-64.4	-40.1	176.5	-166.9	135.7	0	0	0	111.4	S35 L36 T37 L42 V43 F111	S35-L39 VanDerWaalsContact O-CB 3.32Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.02Å; L36-L39 PolarHBondContact O-N 3.49Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 2.95Å; L39-L42 PolarHBondContact O-N 3.3Å; L39-V43 HydrophobicContact CD2-CG2 4.4Å; L39-V43 WeakPolarHBondContact O-CB 3.33Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.03Å; L39-F111 HydrophobicContact CD2-CD2 3.85Å; L39-F111 HydrophobicContact CD2-CE1 4.06Å; L39-F111 HydrophobicContact CD2-CE2 3.25Å; L39-F111 HydrophobicContact CD2-CG 4.48Å; L39-F111 HydrophobicContact CD2-CZ 3.36Å
40	Y	68	Low	66.1	Low	35 Å²	35	42.6 Å²	42.6	14%	0.137	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-46.8	171.4	-177.6	-90.8	0	0	0	112	L7 L36 T37 L42 G44 C69 C73 F111 A114	L7-Y40 HydrophobicContact CD1-CD1 4.15Å; L7-Y40 HydrophobicContact CD1-CE1 4.21Å; L7-Y40 HydrophobicContact CD2-CD1 3.96Å; L36-Y40 WeakPolarHBondContact O-CB 3.49Å; L36-Y40 PolarHBondContact O-N 2.82Å; T37-Y40 WeakPolarHBondContact O-CB 3.41Å; T37-Y40 PolarHBondContact O-N 2.76Å; Y40-L42 VanDerWaalsContact C-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.37Å; Y40-G44 PolarHBondContact O-N 3.3Å; Y40-C69 PolarHBondContact OH-O 3.02Å; Y40-C73 HydrophobicContact CE1-CB 3.86Å; Y40-C73 HydrophobicContact CE2-CB 3.97Å; Y40-C73 VanDerWaalsContact CZ-CB 3.45Å; Y40-C73 VanDerWaalsContact CZ-SG 3.57Å; Y40-C73 VanDerWaalsContact OH-CB 3.32Å; Y40-C73 WeakPolarHBondContact OH-CB 3.46Å; Y40-C73 PolarHBondContact OH-SG 2.88Å; Y40-F111 HydrophobicContact CD2-CD2 4.34Å; Y40-A114 HydrophobicContact CD2-CB 4.42Å; Y40-A114 HydrophobicContact CE2-CB 3.54Å
41	A	68.7	Low	66.2	Low	3 Å²	3	42.2 Å²	42.2	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-44.6	176.9	0	0	0	0	0	112	L7 Q8 T37 L38 G44 I45	L7-A41 HydrophobicContact CB-CB 4.38Å; L7-A41 HydrophobicContact CD2-CB 3.76Å; Q8-A41 HydrophobicContact CG-CB 3.95Å; T37-A41 PolarHBondContact O-N 3.28Å; L38-A41 WeakPolarHBondContact O-CB 3.42Å; L38-A41 PolarHBondContact O-N 2.69Å; A41-G44 PolarHBondContact O-N 3.24Å; A41-I45 WeakPolarHBondContact O-CG1 3.41Å; A41-I45 PolarHBondContact O-N 3.05Å
42	L	64.3	Low	66.5	Low	85 Å²	85	42.9 Å²	42.9	45%	0.445	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-45.7	-177.5	-160.7	158.3	0	0	0	110.9	L38 L39 Y40 I45 L46	L38-L42 HydrophobicContact CD2-CD1 4.35Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 2.67Å; L39-L42 PolarHBondContact O-N 3.3Å; Y40-L42 VanDerWaalsContact C-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.37Å; L42-I45 PolarHBondContact O-N 2.89Å; L42-L46 HydrophobicContact CD2-CD1 3.55Å; L42-L46 HydrophobicContact CD2-CG 3.99Å; L42-L46 WeakPolarHBondContact O-CG 3.23Å; L42-L46 PolarHBondContact O-N 2.88Å
43	V	68.3	Low	66.6	Low	40 Å²	40	46.3 Å²	46.3	24%	0.242	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-51.4	172.7	169.9	0	0	0	0	109.4	L39 I45 L46 L47 F111	L39-V43 HydrophobicContact CD2-CG2 4.4Å; L39-V43 WeakPolarHBondContact O-CB 3.33Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.03Å; V43-I45 VanDerWaalsContact C-N 3.3Å; V43-I45 PolarHBondContact O-N 3.2Å; V43-L46 WeakPolarHBondContact O-CB 3.2Å; V43-L46 PolarHBondContact O-N 2.89Å; V43-L47 HydrophobicContact CG1-CD1 3.65Å; V43-L47 HydrophobicContact CG1-CD2 4.3Å; V43-L47 HydrophobicContact CG1-CG 3.91Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 2.98Å; V43-F111 HydrophobicContact CB-CE2 4.12Å; V43-F111 HydrophobicContact CG1-CE2 4.34Å; V43-F111 HydrophobicContact CG2-CE2 3.78Å; V43-F111 HydrophobicContact CG2-CZ 3.99Å
44	G	69.3	Low	66.3	Low	9 Å²	9	51.1 Å²	51.1	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-47.6	-51	175.7	0	0	0	0	0	112.9	R4 Y40 A41 L47 E48	R4-G44 VanDerWaalsContact CZ-C 3.43Å; R4-G44 VanDerWaalsContact CZ-O 3.28Å; R4-G44 PolarHBondContact NH1-O 3.36Å; R4-G44 PolarHBondContact NH2-O 3.37Å; Y40-G44 PolarHBondContact O-N 3.3Å; A41-G44 PolarHBondContact O-N 3.24Å; G44-L47 WeakPolarHBondContact O-CB 3.25Å; G44-L47 PolarHBondContact O-N 2.99Å; G44-E48 PolarHBondContact O-N 3.48Å
45	I	67.4	Low	65.9	Low	60 Å²	60	53.1 Å²	53.1	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-47.7	178.3	-67.4	167	0	0	0	111.6	A41 L42 V43 L47 E48 V49	A41-I45 WeakPolarHBondContact O-CG1 3.41Å; A41-I45 PolarHBondContact O-N 3.05Å; L42-I45 PolarHBondContact O-N 2.89Å; V43-I45 VanDerWaalsContact C-N 3.3Å; V43-I45 PolarHBondContact O-N 3.2Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 3.01Å; I45-E48 PolarHBondContact O-N 3.05Å; I45-V49 HydrophobicContact CG2-CG2 4.5Å; I45-V49 WeakPolarHBondContact O-CG2 3.4Å; I45-V49 PolarHBondContact O-N 3.36Å
46	L	68	Low	65.8	Low	108 Å²	108	54.7 Å²	54.7	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-59.1	-40	177.9	-72.3	175.6	0	0	0	112	L42 V43 V49 G50	L42-L46 HydrophobicContact CD2-CD1 3.55Å; L42-L46 HydrophobicContact CD2-CG 3.99Å; L42-L46 WeakPolarHBondContact O-CG 3.23Å; L42-L46 PolarHBondContact O-N 2.88Å; V43-L46 WeakPolarHBondContact O-CB 3.2Å; V43-L46 PolarHBondContact O-N 2.89Å; L46-V49 PolarHBondContact O-N 3.26Å; L46-G50 PolarHBondContact O-N 3Å
47	L	67.2	Low	65.7	Low	33 Å²	33	62 Å²	62	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-41.5	178.7	-64.5	179.4	0	0	0	111.7	V43 G44 I45 G50 I51 Y118	V43-L47 HydrophobicContact CG1-CD1 3.65Å; V43-L47 HydrophobicContact CG1-CD2 4.3Å; V43-L47 HydrophobicContact CG1-CG 3.91Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 2.98Å; G44-L47 WeakPolarHBondContact O-CB 3.25Å; G44-L47 PolarHBondContact O-N 2.99Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 3.01Å; L47-G50 PolarHBondContact O-N 3.37Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 2.98Å; L47-Y118 HydrophobicContact CB-CD2 3.76Å; L47-Y118 HydrophobicContact CB-CE2 3.36Å; L47-Y118 HydrophobicContact CD1-CD1 4.37Å; L47-Y118 HydrophobicContact CD1-CD2 3.55Å; L47-Y118 HydrophobicContact CD1-CE2 4.01Å; L47-Y118 HydrophobicContact CD1-CG 3.68Å; L47-Y118 HydrophobicContact CD2-CD1 3.48Å; L47-Y118 VanDerWaalsContact CD2-CD1 3.48Å; L47-Y118 HydrophobicContact CD2-CD2 3.66Å; L47-Y118 HydrophobicContact CD2-CE1 3.22Å; L47-Y118 HydrophobicContact CD2-CE2 3.41Å; L47-Y118 VanDerWaalsContact CD2-CE2 3.41Å; L47-Y118 HydrophobicContact CD2-CG 3.63Å; L47-Y118 HydrophobicContact CG-CD1 4.42Å; L47-Y118 HydrophobicContact CG-CD2 3.76Å; L47-Y118 HydrophobicContact CG-CE1 4.34Å; L47-Y118 HydrophobicContact CG-CE2 3.66Å; L47-Y118 HydrophobicContact CG-CG 4.08Å
48	E	66.3	Low	65.1	Low	44 Å²	44	63.9 Å²	63.9	21%	0.206	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-44.7	176.7	-177.2	173.4	-164.6	0	0	111.2	R4 G44 I45 G50 I51 L52	R4-E48 IonicContact CZ-OE2 2.84Å; R4-E48 IonicContact NE-OE2 3.97Å; R4-E48 IonicContact NH1-OE2 3.8Å; R4-E48 PolarHBondContact NH1-OE2 3.08Å; G44-E48 PolarHBondContact O-N 3.48Å; I45-E48 PolarHBondContact O-N 3.05Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 2.76Å; E48-I51 PolarHBondContact O-N 2.9Å; E48-L52 HydrophobicContact CG-CD1 3.87Å; E48-L52 HydrophobicContact CG-CG 4.3Å; E48-L52 VanDerWaalsContact O-CB 3.26Å; E48-L52 WeakPolarHBondContact O-CB 3.32Å; E48-L52 WeakPolarHBondContact O-CG 3.45Å; E48-L52 PolarHBondContact O-N 3.2Å
49	V	64.2	Low	64.6	Low	90 Å²	90	70.1 Å²	70.1	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-40.4	173	175.1	0	0	0	0	111	I45 L46 S53	I45-V49 HydrophobicContact CG2-CG2 4.5Å; I45-V49 WeakPolarHBondContact O-CG2 3.4Å; I45-V49 PolarHBondContact O-N 3.36Å; L46-V49 PolarHBondContact O-N 3.26Å; V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 3.31Å; V49-S53 PolarHBondContact O-OG 3.13Å
50	G	65.4	Low	64	Low	19 Å²	19	68.2 Å²	68.2	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-66	-38.6	177	0	0	0	0	0	114.1	L46 L47 E48 S53	L46-G50 PolarHBondContact O-N 3Å; L47-G50 PolarHBondContact O-N 3.37Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 2.76Å; G50-S53 WeakPolarHBondContact CA-OG 3.24Å; G50-S53 PolarHBondContact O-OG 3.13Å
51	I	67.2	Low	63.3	Low	17 Å²	17	73 Å²	73	9%	0.087	40%	0.401	C	S	.	.	H	α-helix	trans	-75.2	-45.1	176.5	-67.9	168.7	0	0	0	110.6	L47 E48 S53 K54 C55 Y118	L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 2.98Å; E48-I51 PolarHBondContact O-N 2.9Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.44Å; I51-K54 PolarHBondContact O-N 2.89Å; I51-C55 PolarHBondContact O-N 2.96Å; I51-Y118 HydrophobicContact CD1-CD2 4.24Å; I51-Y118 HydrophobicContact CD1-CE2 3.63Å; I51-Y118 HydrophobicContact CG1-CE2 3.94Å
52	L	65.6	Low	62.7	Low	87 Å²	87	73.9 Å²	73.9	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-59.6	-37.3	178.6	-74.4	173.6	0	0	0	112.2	E48 K54	E48-L52 HydrophobicContact CG-CD1 3.87Å; E48-L52 HydrophobicContact CG-CG 4.3Å; E48-L52 VanDerWaalsContact O-CB 3.26Å; E48-L52 WeakPolarHBondContact O-CB 3.32Å; E48-L52 WeakPolarHBondContact O-CG 3.45Å; E48-L52 PolarHBondContact O-N 3.2Å; L52-K54 VanDerWaalsContact C-N 3.32Å; L52-K54 PolarHBondContact O-N 3.35Å
53	S	66.4	Low	62.3	Low	91 Å²	91	76.1 Å²	76.1	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-69.5	-25.9	176.2	53.8	0	0	0	0	113.6	V49 G50 I51	V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 3.31Å; V49-S53 PolarHBondContact O-OG 3.13Å; G50-S53 WeakPolarHBondContact CA-OG 3.24Å; G50-S53 PolarHBondContact O-OG 3.13Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.44Å
54	K	63.6	Low	61.6	Low	109 Å²	109	78.9 Å²	78.9	47%	0.474	42%	0.423	S	S	.	.	H	α-helix	trans	-98.1	-31.4	180	-78.6	-153.8	171.6	-169.7	0	115.3	I51 L52 W122	I51-K54 PolarHBondContact O-N 2.89Å; L52-K54 VanDerWaalsContact C-N 3.32Å; L52-K54 PolarHBondContact O-N 3.35Å; K54-W122 HydrophobicContact CD-CH2 3.75Å; K54-W122 HydrophobicContact CD-CZ2 3.85Å; K54-W122 HydrophobicContact CD-CZ3 4.45Å
55	C	59.5	Low	61.2	Low	42 Å²	42	80.3 Å²	80.3	28%	0.284	43%	0.434	S	S	.	.			trans	-140.3	77.7	-172.5	-66.7	0	0	0	0	111.2	I51 E57 S58	I51-C55 PolarHBondContact O-N 2.96Å; C55-E57 PolarHBondContact O-N 2.87Å; C55-S58 PolarHBondContact O-N 2.71Å
56	P	60.2	Low	60.8	Low	89 Å²	89	79 Å²	79	58%	0.578	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.8	177.5	24.9	-33.5	0	0	0	113.2
57	E	60.6	Low	60.3	Low	192 Å²	192	75.7 Å²	75.7	90%	0.897	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-22.2	-176.5	-71.3	-177.3	147.8	0	0	114.4	C55 R59	C55-E57 PolarHBondContact O-N 2.87Å; E57-R59 PolarHBondContact O-N 3.42Å
58	S	57	Low	59.9	Low	45 Å²	45	79.3 Å²	79.3	32%	0.315	44%	0.435	S	S	.	.			trans	-87.6	40.6	-175.6	-167.3	0	0	0	0	113.1	C55 G60	C55-S58 PolarHBondContact O-N 2.71Å; S58-G60 VanDerWaalsContact C-N 3.32Å; S58-G60 PolarHBondContact O-N 3.35Å
59	R	53.7	Low	59.8	Low	189 Å²	189	78.4 Å²	78.4	71%	0.713	43%	0.433	S	S	*	.	H	α-helix	trans	-64.9	-29	-177.5	-77.9	-179.5	174.2	-171	-2.7	114	E57 Y63	E57-R59 PolarHBondContact O-N 3.42Å; R59-Y63 WeakPolarHBondContact O-CB 3.33Å
60	G	53.7	Low	59.8	Low	45 Å²	45	74.4 Å²	74.4	46%	0.464	41%	0.409	S	S	.	.	H	α-helix	trans	-74.8	-65.1	-170.7	0	0	0	0	0	114.1	S58 I64	S58-G60 VanDerWaalsContact C-N 3.32Å; S58-G60 PolarHBondContact O-N 3.35Å; G60-I64 WeakPolarHBondContact O-CG1 3.44Å; G60-I64 PolarHBondContact O-N 3.36Å
61	N	53.6	Low	59.5	Low	135 Å²	135	75.5 Å²	75.5	72%	0.722	41%	0.414	S	S	*	.	H	α-helix	trans	-79.1	-34.3	-168.2	-70	-0.7	0	0	0	113.4	A65	N61-A65 PolarHBondContact O-N 2.85Å
62	C	55	Low	59.1	Low	22 Å²	22	80.9 Å²	80.9	15%	0.149	44%	0.437	C	S	.	.	H	α-helix	trans	-66.9	-39.6	176.7	-76.1	0	0	0	0	111.5	I64 A65 D66	C62-I64 VanDerWaalsContact C-N 3.35Å; C62-I64 PolarHBondContact O-N 3.32Å; C62-A65 PolarHBondContact O-N 3.29Å; C62-D66 WeakPolarHBondContact O-CB 3.5Å; C62-D66 PolarHBondContact O-N 2.98Å
63	Y	56.1	Low	58.9	Low	132 Å²	132	77.2 Å²	77.2	52%	0.518	42%	0.418	S	S	.	.	H	α-helix	trans	-65.1	-38	-178.8	-171.5	-94.6	0	0	0	112.5	R59 D66 A67	R59-Y63 WeakPolarHBondContact O-CB 3.33Å; Y63-D66 PolarHBondContact O-N 3.38Å; Y63-A67 WeakPolarHBondContact O-CB 3.45Å; Y63-A67 PolarHBondContact O-N 3.45Å
64	I	54.4	Low	58.5	Low	99 Å²	99	73.4 Å²	73.4	51%	0.508	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-45.5	178.6	-64.3	164.6	0	0	0	110.7	G60 C62 D66 A67 L68	G60-I64 WeakPolarHBondContact O-CG1 3.44Å; G60-I64 PolarHBondContact O-N 3.36Å; C62-I64 VanDerWaalsContact C-N 3.35Å; C62-I64 PolarHBondContact O-N 3.32Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 2.94Å; I64-A67 PolarHBondContact O-N 2.85Å; I64-L68 HydrophobicContact CG2-CD1 3.81Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.35Å; I64-L68 VanDerWaalsContact O-CG 3.26Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.92Å
65	A	60.3	Low	58.3	Low	39 Å²	39	71.7 Å²	71.7	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-40.3	178.8	0	0	0	0	0	111.8	N61 C62 C69	N61-A65 PolarHBondContact O-N 2.85Å; C62-A65 PolarHBondContact O-N 3.29Å; A65-C69 VanDerWaalsContact O-CB 3.27Å; A65-C69 WeakPolarHBondContact O-CB 3.32Å; A65-C69 PolarHBondContact O-N 3.49Å
66	D	59.6	Low	58.2	Low	31 Å²	31	72.5 Å²	72.5	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-41.7	177.2	-160.4	1	0	0	0	111.3	R4 C62 Y63 I64 C69 A70	R4-D66 IonicContact CZ-OD2 3.45Å; R4-D66 IonicContact NH2-OD1 2.76Å; R4-D66 PolarHBondContact NH2-OD1 3.48Å; R4-D66 IonicContact NH2-OD2 2.67Å; R4-D66 PolarHBondContact NH2-OD2 2.9Å; C62-D66 WeakPolarHBondContact O-CB 3.5Å; C62-D66 PolarHBondContact O-N 2.98Å; Y63-D66 PolarHBondContact O-N 3.38Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 2.94Å; D66-C69 PolarHBondContact O-N 3.49Å; D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 3.3Å
67	A	56.7	Low	58.2	Low	39 Å²	39	69.2 Å²	69.2	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-42.8	175.3	0	0	0	0	0	112.7	Y63 I64 C69 A70 S71	Y63-A67 WeakPolarHBondContact O-CB 3.45Å; Y63-A67 PolarHBondContact O-N 3.45Å; I64-A67 PolarHBondContact O-N 2.85Å; A67-C69 VanDerWaalsContact C-N 3.34Å; A67-A70 PolarHBondContact O-N 2.87Å; A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.24Å; A67-S71 PolarHBondContact O-OG 3.49Å
68	L	59.2	Low	58.2	Low	110 Å²	110	64.6 Å²	64.6	58%	0.576	35%	0.35	S	S	*	.	H	α-helix	trans	-64.4	-40	175.2	-73.2	173.2	0	0	0	111.5	I64 S71 F72	I64-L68 HydrophobicContact CG2-CD1 3.81Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.35Å; I64-L68 VanDerWaalsContact O-CG 3.26Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.92Å; L68-S71 WeakPolarHBondContact CA-OG 3.32Å; L68-S71 PolarHBondContact O-OG 3.5Å; L68-S71 VanDerWaalsContact O-OG 3.05Å; L68-F72 VanDerWaalsContact O-CB 3.23Å; L68-F72 WeakPolarHBondContact O-CB 3.21Å; L68-F72 PolarHBondContact O-N 2.97Å
69	C	64.1	Low	58.2	Low	25 Å²	25	67.4 Å²	67.4	17%	0.169	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-44.5	176.3	-167	0	0	0	0	111.6	Y40 A65 D66 A67 F72 C73	Y40-C69 PolarHBondContact OH-O 3.02Å; A65-C69 VanDerWaalsContact O-CB 3.27Å; A65-C69 WeakPolarHBondContact O-CB 3.32Å; A65-C69 PolarHBondContact O-N 3.49Å; D66-C69 PolarHBondContact O-N 3.49Å; A67-C69 VanDerWaalsContact C-N 3.34Å; C69-F72 PolarHBondContact O-N 3.4Å; C69-C73 WeakPolarHBondContact O-CB 3.16Å; C69-C73 PolarHBondContact O-N 3.37Å; C69-C73 PolarHBondContact O-SG 3.33Å
70	A	63.4	Low	58.7	Low	5 Å²	5	59 Å²	59	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-46.4	178.8	0	0	0	0	0	111.9	D66 A67 C73 L74	D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 3.3Å; A67-A70 PolarHBondContact O-N 2.87Å; A70-C73 PolarHBondContact O-N 2.9Å; A70-L74 WeakPolarHBondContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 2.91Å
71	S	58.9	Low	59.1	Low	43 Å²	43	57.6 Å²	57.6	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-41.6	177	54.3	0	0	0	0	112.4	A67 L68 C73 L74 C75	A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.24Å; A67-S71 PolarHBondContact O-OG 3.49Å; L68-S71 WeakPolarHBondContact CA-OG 3.32Å; L68-S71 PolarHBondContact O-OG 3.5Å; L68-S71 VanDerWaalsContact O-OG 3.05Å; S71-C73 PolarHBondContact O-N 3.29Å; S71-L74 WeakPolarHBondContact O-CB 3.43Å; S71-L74 PolarHBondContact O-N 3.32Å; S71-C75 PolarHBondContact O-N 2.86Å; S71-C75 PolarHBondContact O-SG 2.96Å
72	F	59.7	Low	59.4	Low	130 Å²	130	52.7 Å²	52.7	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-41.2	175.7	-171.6	-104.2	0	0	0	112	L68 C69 C75 L76	L68-F72 VanDerWaalsContact O-CB 3.23Å; L68-F72 WeakPolarHBondContact O-CB 3.21Å; L68-F72 PolarHBondContact O-N 2.97Å; C69-F72 PolarHBondContact O-N 3.4Å; F72-C75 PolarHBondContact O-N 3.22Å; F72-L76 HydrophobicContact CD1-CD1 3.78Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.25Å; F72-L76 HydrophobicContact CE1-CG 4.17Å; F72-L76 HydrophobicContact CE2-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD1 3.66Å; F72-L76 HydrophobicContact CZ-CG 4.27Å; F72-L76 PolarHBondContact O-N 2.91Å
73	C	60.7	Low	59.6	Low	9 Å²	9	56 Å²	56	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-39.4	175.8	-67.4	0	0	0	0	111.7	Y40 C69 A70 S71 L76 W77	Y40-C73 HydrophobicContact CE1-CB 3.86Å; Y40-C73 HydrophobicContact CE2-CB 3.97Å; Y40-C73 VanDerWaalsContact CZ-CB 3.45Å; Y40-C73 VanDerWaalsContact CZ-SG 3.57Å; Y40-C73 VanDerWaalsContact OH-CB 3.32Å; Y40-C73 WeakPolarHBondContact OH-CB 3.46Å; Y40-C73 PolarHBondContact OH-SG 2.88Å; C69-C73 WeakPolarHBondContact O-CB 3.16Å; C69-C73 PolarHBondContact O-N 3.37Å; C69-C73 PolarHBondContact O-SG 3.33Å; A70-C73 PolarHBondContact O-N 2.9Å; S71-C73 PolarHBondContact O-N 3.29Å; C73-L76 PolarHBondContact O-N 2.91Å; C73-W77 WeakPolarHBondContact O-CB 3.22Å; C73-W77 PolarHBondContact O-N 2.74Å
74	L	58.8	Low	59.7	Low	11 Å²	11	50.1 Å²	50.1	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-46.1	172.1	-85.3	170.9	0	0	0	112.6	D3 L7 A70 S71 W77 L78	D3-L74 HydrophobicContact CB-CD1 4.12Å; D3-L74 WeakPolarHBondContact OD1-CD1 3.03Å; L7-L74 HydrophobicContact CB-CD2 4.18Å; L7-L74 HydrophobicContact CD1-CD1 3.89Å; L7-L74 HydrophobicContact CD1-CD2 3.24Å; L7-L74 HydrophobicContact CD1-CG 3.34Å; L7-L74 HydrophobicContact CG-CD2 3.45Å; L7-L74 VanDerWaalsContact CG-CD2 3.45Å; L7-L74 HydrophobicContact CG-CG 4.15Å; A70-L74 WeakPolarHBondContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 2.91Å; S71-L74 WeakPolarHBondContact O-CB 3.43Å; S71-L74 PolarHBondContact O-N 3.32Å; L74-W77 PolarHBondContact O-N 2.65Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 2.84Å
75	C	58.3	Low	59.9	Low	74 Å²	74	49 Å²	49	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-46.2	179	-71.9	0	0	0	0	111.6	S71 F72 W77 L78 L79	S71-C75 PolarHBondContact O-N 2.86Å; S71-C75 PolarHBondContact O-SG 2.96Å; F72-C75 PolarHBondContact O-N 3.22Å; C75-W77 VanDerWaalsContact C-N 3.31Å; C75-L78 PolarHBondContact O-N 3.3Å; C75-L79 WeakPolarHBondContact O-CB 3.35Å; C75-L79 VanDerWaalsContact O-CG 3.28Å; C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.44Å
76	L	59.2	Low	59.8	Low	59 Å²	59	51.4 Å²	51.4	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-67.5	-34.7	177.3	-72.1	178.6	0	0	0	112.3	F72 C73 L79 S80 L110	F72-L76 HydrophobicContact CD1-CD1 3.78Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.25Å; F72-L76 HydrophobicContact CE1-CG 4.17Å; F72-L76 HydrophobicContact CE2-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD1 3.66Å; F72-L76 HydrophobicContact CZ-CG 4.27Å; F72-L76 PolarHBondContact O-N 2.91Å; C73-L76 PolarHBondContact O-N 2.91Å; L76-L79 HydrophobicContact CD2-CD1 4.42Å; L76-L79 PolarHBondContact O-N 3.26Å; L76-S80 WeakPolarHBondContact O-CB 3.14Å; L76-S80 PolarHBondContact O-N 2.8Å; L76-L110 HydrophobicContact CB-CD1 3.69Å; L76-L110 HydrophobicContact CD1-CD1 4.03Å; L76-L110 HydrophobicContact CD1-CD2 3.41Å; L76-L110 VanDerWaalsContact CD1-CD2 3.41Å; L76-L110 HydrophobicContact CD1-CG 4.3Å
77	W	60.2	Low	59.5	Low	20 Å²	20	51.6 Å²	51.6	8%	0.076	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-51.4	174.5	-173.8	75.9	0	0	0	111.7	I10 T14 T37 C73 L74 C75 L79 S80 A81 E107	I10-W77 HydrophobicContact CB-CZ3 4.47Å; I10-W77 HydrophobicContact CG2-CE3 3.93Å; I10-W77 HydrophobicContact CG2-CH2 3.13Å; I10-W77 HydrophobicContact CG2-CZ2 4.17Å; I10-W77 HydrophobicContact CG2-CZ3 3.01Å; T14-W77 HydrophobicContact CG2-CZ2 4.45Å; T14-W77 WeakPolarHBondContact OG1-CH2 3.48Å; T37-W77 HydrophobicContact CG2-CD2 4.26Å; T37-W77 HydrophobicContact CG2-CZ2 4.28Å; T37-W77 VanDerWaalsContact OG1-CD1 3.29Å; T37-W77 PolarHBondContact OG1-NE1 2.9Å; C73-W77 WeakPolarHBondContact O-CB 3.22Å; C73-W77 PolarHBondContact O-N 2.74Å; L74-W77 PolarHBondContact O-N 2.65Å; C75-W77 VanDerWaalsContact C-N 3.31Å; W77-L79 PolarHBondContact O-N 2.97Å; W77-S80 PolarHBondContact O-N 3.36Å; W77-S80 PolarHBondContact O-OG 3.22Å; W77-A81 HydrophobicContact CD2-CB 4.33Å; W77-A81 HydrophobicContact CE3-CB 4.38Å; W77-A81 HydrophobicContact CH2-CB 3.98Å; W77-A81 HydrophobicContact CZ2-CB 3.94Å; W77-A81 HydrophobicContact CZ3-CB 4.16Å; W77-A81 WeakPolarHBondContact O-CB 3.44Å; W77-A81 PolarHBondContact O-N 2.93Å; W77-E107 PolarHBondContact NE1-OE1 2.94Å
78	L	58.7	Low	59.5	Low	95 Å²	95	50.9 Å²	50.9	50%	0.497	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-38	176.2	-75.3	170	0	0	0	111.9	L74 C75 G82	L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 2.84Å; C75-L78 PolarHBondContact O-N 3.3Å; L78-G82 WeakPolarHBondContact O-CA 3.15Å; L78-G82 PolarHBondContact O-N 3.22Å
79	L	58.9	Low	59.3	Low	104 Å²	104	52.3 Å²	52.3	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-44.6	173.3	-73.8	170	0	0	0	111.6	C75 L76 W77 N83	C75-L79 WeakPolarHBondContact O-CB 3.35Å; C75-L79 VanDerWaalsContact O-CG 3.28Å; C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.44Å; L76-L79 HydrophobicContact CD2-CD1 4.42Å; L76-L79 PolarHBondContact O-N 3.26Å; W77-L79 PolarHBondContact O-N 2.97Å; L79-N83 VanDerWaalsContact O-CB 3.25Å; L79-N83 WeakPolarHBondContact O-CB 3.34Å; L79-N83 VanDerWaalsContact O-CG 3.25Å; L79-N83 PolarHBondContact O-N 3.48Å; L79-N83 PolarHBondContact O-ND2 3.45Å
80	S	63.2	Low	58.9	Low	13 Å²	13	61.9 Å²	61.9	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-68	-46.9	-179.8	78.8	0	0	0	0	112.5	L76 W77 N83 G84	L76-S80 WeakPolarHBondContact O-CB 3.14Å; L76-S80 PolarHBondContact O-N 2.8Å; W77-S80 PolarHBondContact O-N 3.36Å; W77-S80 PolarHBondContact O-OG 3.22Å; S80-N83 PolarHBondContact O-N 3.07Å; S80-G84 PolarHBondContact O-N 3.03Å
81	A	62.4	Low	58.5	Low	14 Å²	14	64.4 Å²	64.4	12%	0.116	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-44.5	179.2	0	0	0	0	0	110.9	W77 N83 G84 I85	W77-A81 HydrophobicContact CD2-CB 4.33Å; W77-A81 HydrophobicContact CE3-CB 4.38Å; W77-A81 HydrophobicContact CH2-CB 3.98Å; W77-A81 HydrophobicContact CZ2-CB 3.94Å; W77-A81 HydrophobicContact CZ3-CB 4.16Å; W77-A81 WeakPolarHBondContact O-CB 3.44Å; W77-A81 PolarHBondContact O-N 2.93Å; A81-N83 PolarHBondContact O-N 3Å; A81-G84 PolarHBondContact O-N 3.44Å; A81-I85 WeakPolarHBondContact O-CB 3.35Å; A81-I85 WeakPolarHBondContact O-CD1 3.35Å; A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 2.85Å
82	G	58.9	Low	58.1	Low	32 Å²	32	64.4 Å²	64.4	33%	0.33	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.1	0	0	0	0	0	112.3	L78 T86	L78-G82 WeakPolarHBondContact O-CA 3.15Å; L78-G82 PolarHBondContact O-N 3.22Å; G82-T86 VanDerWaalsContact O-CB 3.26Å; G82-T86 WeakPolarHBondContact O-CB 3.39Å; G82-T86 PolarHBondContact O-N 3.39Å; G82-T86 PolarHBondContact O-OG1 2.92Å
83	N	59.1	Low	58	Low	91 Å²	91	60.9 Å²	60.9	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-43.5	175.5	-75.4	-50.8	0	0	0	112	L79 S80 A81 I85 T86 I87	L79-N83 VanDerWaalsContact O-CB 3.25Å; L79-N83 WeakPolarHBondContact O-CB 3.34Å; L79-N83 VanDerWaalsContact O-CG 3.25Å; L79-N83 PolarHBondContact O-N 3.48Å; L79-N83 PolarHBondContact O-ND2 3.45Å; S80-N83 PolarHBondContact O-N 3.07Å; A81-N83 PolarHBondContact O-N 3Å; N83-I85 PolarHBondContact O-N 2.96Å; N83-T86 PolarHBondContact O-N 2.84Å; N83-I87 HydrophobicContact CB-CD1 4.5Å; N83-I87 WeakPolarHBondContact O-CB 3.25Å; N83-I87 WeakPolarHBondContact O-CD1 3.48Å; N83-I87 WeakPolarHBondContact O-CG1 3.16Å; N83-I87 PolarHBondContact O-N 3.36Å
84	G	58.6	Low	57.9	Low	10 Å²	10	68.8 Å²	68.8	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-58.2	-46.8	177.9	0	0	0	0	0	112.4	S80 A81 S88	S80-G84 PolarHBondContact O-N 3.03Å; A81-G84 PolarHBondContact O-N 3.44Å; G84-S88 WeakPolarHBondContact O-CB 3.38Å; G84-S88 PolarHBondContact O-N 3.02Å; G84-S88 PolarHBondContact O-OG 3.43Å
85	I	58.3	Low	57.9	Low	76 Å²	76	70.8 Å²	70.8	39%	0.39	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-47	177.1	-64.7	164.5	0	0	0	110.8	A81 N83 I87 S88 L89	A81-I85 WeakPolarHBondContact O-CB 3.35Å; A81-I85 WeakPolarHBondContact O-CD1 3.35Å; A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 2.85Å; N83-I85 PolarHBondContact O-N 2.96Å; I85-I87 VanDerWaalsContact C-N 3.31Å; I85-I87 PolarHBondContact O-N 2.92Å; I85-S88 WeakPolarHBondContact O-CB 3.45Å; I85-S88 PolarHBondContact O-N 3.27Å; I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.45Å
86	T	58.6	Low	57.8	Low	88 Å²	88	67.2 Å²	67.2	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-39.7	-177.8	-56.3	0	0	0	0	111.9	G82 N83 R90	G82-T86 VanDerWaalsContact O-CB 3.26Å; G82-T86 WeakPolarHBondContact O-CB 3.39Å; G82-T86 PolarHBondContact O-N 3.39Å; G82-T86 PolarHBondContact O-OG1 2.92Å; N83-T86 PolarHBondContact O-N 2.84Å; T86-R90 WeakPolarHBondContact O-CB 3.42Å; T86-R90 PolarHBondContact O-N 3.43Å
87	I	54.3	Low	57.6	Low	35 Å²	35	69.4 Å²	69.4	18%	0.179	38%	0.38	C	S	.	.	H	α-helix	trans	-74.5	-38.1	177.9	-61.9	166	0	0	0	110.5	N83 I85 L89 R90 S91 F99	N83-I87 HydrophobicContact CB-CD1 4.5Å; N83-I87 WeakPolarHBondContact O-CB 3.25Å; N83-I87 WeakPolarHBondContact O-CD1 3.48Å; N83-I87 WeakPolarHBondContact O-CG1 3.16Å; N83-I87 PolarHBondContact O-N 3.36Å; I85-I87 VanDerWaalsContact C-N 3.31Å; I85-I87 PolarHBondContact O-N 2.92Å; I87-L89 VanDerWaalsContact C-N 3.28Å; I87-L89 PolarHBondContact O-N 3.49Å; I87-R90 PolarHBondContact O-N 3.42Å; I87-S91 WeakPolarHBondContact CG2-OG 3.39Å; I87-S91 PolarHBondContact O-N 2.76Å; I87-S91 VanDerWaalsContact O-N 3.09Å; I87-S91 PolarHBondContact O-OG 3.44Å; I87-F99 HydrophobicContact CB-CD2 4.27Å; I87-F99 HydrophobicContact CB-CG 4.45Å; I87-F99 HydrophobicContact CD1-CB 4.25Å; I87-F99 HydrophobicContact CD1-CD1 3.4Å; I87-F99 VanDerWaalsContact CD1-CD1 3.4Å; I87-F99 HydrophobicContact CD1-CD2 3.75Å; I87-F99 HydrophobicContact CD1-CE1 3.52Å; I87-F99 HydrophobicContact CD1-CE2 3.87Å; I87-F99 HydrophobicContact CD1-CG 3.52Å; I87-F99 HydrophobicContact CD1-CZ 3.76Å; I87-F99 HydrophobicContact CG2-CB 4.49Å; I87-F99 HydrophobicContact CG2-CD2 3.45Å; I87-F99 VanDerWaalsContact CG2-CD2 3.45Å; I87-F99 HydrophobicContact CG2-CE2 3.85Å; I87-F99 HydrophobicContact CG2-CG 4.08Å
88	S	55.1	Low	57.8	Low	25 Å²	25	74 Å²	74	18%	0.175	41%	0.406	C	S	.	.	H	α-helix	trans	-53.1	-44.5	172.6	-63.8	0	0	0	0	113	G84 I85 R90	G84-S88 WeakPolarHBondContact O-CB 3.38Å; G84-S88 PolarHBondContact O-N 3.02Å; G84-S88 PolarHBondContact O-OG 3.43Å; I85-S88 WeakPolarHBondContact O-CB 3.45Å; I85-S88 PolarHBondContact O-N 3.27Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact O-N 3.19Å
89	L	55.5	Low	58.1	Low	139 Å²	139	73.8 Å²	73.8	73%	0.728	40%	0.401	S	S	*	.	H	α-helix	trans	-72.4	-22.4	178.5	-67.4	170.2	0	0	0	113.6	I85 I87	I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 3.45Å; I87-L89 VanDerWaalsContact C-N 3.28Å; I87-L89 PolarHBondContact O-N 3.49Å
90	R	56	Low	58.3	Low	226 Å²	226	68.9 Å²	68.9	85%	0.853	38%	0.376	S	S	*	.	H	α-helix	trans	-103.4	-36.8	-168.5	-168.1	171.1	-177.8	161.5	1.3	115.7	T86 I87 S88	T86-R90 WeakPolarHBondContact O-CB 3.42Å; T86-R90 PolarHBondContact O-N 3.43Å; I87-R90 PolarHBondContact O-N 3.42Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact O-N 3.19Å
91	S	54.3	Low	58.2	Low	59 Å²	59	75.8 Å²	75.8	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-117.2	6.6	-162.3	59.5	0	0	0	0	117.1	I87 T95	I87-S91 WeakPolarHBondContact CG2-OG 3.39Å; I87-S91 PolarHBondContact O-N 2.76Å; I87-S91 VanDerWaalsContact O-N 3.09Å; I87-S91 PolarHBondContact O-OG 3.44Å; S91-T95 VanDerWaalsContact CB-OG1 3.25Å; S91-T95 WeakPolarHBondContact CB-OG1 3.31Å; S91-T95 PolarHBondContact O-OG1 2.87Å; S91-T95 WeakPolarHBondContact OG-CB 3.49Å; S91-T95 PolarHBondContact OG-OG1 2.8Å
92	G	52	Low	58.5	Low	42 Å²	42	79.3 Å²	79.3	43%	0.433	42%	0.416	S	S	.	.			trans	68	172	175.6	0	0	0	0	0	113.7	K94 T95 T96	G92-K94 VanDerWaalsContact C-N 3.31Å; G92-K94 PolarHBondContact O-N 3.45Å; G92-T95 PolarHBondContact O-N 3.31Å; G92-T95 PolarHBondContact O-OG1 2.99Å; G92-T96 WeakPolarHBondContact O-CG2 3.48Å; G92-T96 PolarHBondContact O-OG1 3.05Å
93	A	57.8	Low	59	Low	56 Å²	56	78.1 Å²	78.1	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-18	-145.8	0	0	0	0	0	120.1	Y25 T96	Y25-A93 HydrophobicContact CD1-CB 4.45Å; Y25-A93 HydrophobicContact CE1-CB 3.41Å; Y25-A93 VanDerWaalsContact CE1-CB 3.41Å; Y25-A93 WeakPolarHBondContact OH-CA 3.45Å; Y25-A93 WeakPolarHBondContact OH-CB 3.42Å; A93-T96 WeakPolarHBondContact CA-OG1 3.42Å; A93-T96 PolarHBondContact O-OG1 3.36Å
94	K	58.6	Low	59.4	Low	176 Å²	176	75.1 Å²	75.1	77%	0.765	39%	0.388	S	S	*	.	H	α-helix	trans	-90.3	-36.2	-173.4	-70.5	-169	174.8	-176	0	114.2	G92 T96	G92-K94 VanDerWaalsContact C-N 3.31Å; G92-K94 PolarHBondContact O-N 3.45Å; K94-T96 VanDerWaalsContact C-N 3.34Å
95	T	58	Low	59.8	Low	52 Å²	52	77.5 Å²	77.5	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-74	-33	179	42.5	0	0	0	0	111.6	S91 G92 E97 L98 F99	S91-T95 VanDerWaalsContact CB-OG1 3.25Å; S91-T95 WeakPolarHBondContact CB-OG1 3.31Å; S91-T95 PolarHBondContact O-OG1 2.87Å; S91-T95 WeakPolarHBondContact OG-CB 3.49Å; S91-T95 PolarHBondContact OG-OG1 2.8Å; G92-T95 PolarHBondContact O-N 3.31Å; G92-T95 PolarHBondContact O-OG1 2.99Å; T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 2.83Å; T95-L98 PolarHBondContact O-N 3.48Å; T95-F99 WeakPolarHBondContact O-CD2 3.18Å; T95-F99 PolarHBondContact O-N 3.45Å
96	T	55.6	Low	60.3	Low	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-65.4	-35.7	-177	50.7	0	0	0	0	111	Y25 I29 G92 A93 K94 G100	Y25-T96 WeakPolarHBondContact CE2-OG1 3.47Å; Y25-T96 VanDerWaalsContact CZ-OG1 3.24Å; Y25-T96 PolarHBondContact OH-OG1 3.29Å; I29-T96 WeakPolarHBondContact CD1-O 3.26Å; G92-T96 WeakPolarHBondContact O-CG2 3.48Å; G92-T96 PolarHBondContact O-OG1 3.05Å; A93-T96 WeakPolarHBondContact CA-OG1 3.42Å; A93-T96 PolarHBondContact O-OG1 3.36Å; K94-T96 VanDerWaalsContact C-N 3.34Å; T96-G100 PolarHBondContact O-N 3.46Å
97	E	55.8	Low	60.8	Low	104 Å²	104	74 Å²	74	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-56.5	-53.7	169	-175.6	-180	-178	0	0	112.2	T95 F99 G100 W101	T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 2.83Å; E97-F99 PolarHBondContact O-N 2.95Å; E97-G100 PolarHBondContact O-N 3.43Å; E97-W101 PolarHBondContact O-N 3.27Å
98	L	64.7	Low	61.6	Low	118 Å²	118	75.3 Å²	75.3	62%	0.618	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-46.3	-179.9	-76.3	165.5	0	0	0	111.8	T95 G100 W101 I102	T95-L98 PolarHBondContact O-N 3.48Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 2.86Å; L98-W101 PolarHBondContact O-N 2.78Å; L98-I102 WeakPolarHBondContact O-CD1 3.39Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 3.15Å
99	F	63.8	Low	62.5	Low	89 Å²	89	79.1 Å²	79.1	39%	0.39	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-35.3	179.4	-77.2	-73.9	0	0	0	112.6	I87 T95 E97 I102 A103	I87-F99 HydrophobicContact CB-CD2 4.27Å; I87-F99 HydrophobicContact CB-CG 4.45Å; I87-F99 HydrophobicContact CD1-CB 4.25Å; I87-F99 HydrophobicContact CD1-CD1 3.4Å; I87-F99 VanDerWaalsContact CD1-CD1 3.4Å; I87-F99 HydrophobicContact CD1-CD2 3.75Å; I87-F99 HydrophobicContact CD1-CE1 3.52Å; I87-F99 HydrophobicContact CD1-CE2 3.87Å; I87-F99 HydrophobicContact CD1-CG 3.52Å; I87-F99 HydrophobicContact CD1-CZ 3.76Å; I87-F99 HydrophobicContact CG2-CB 4.49Å; I87-F99 HydrophobicContact CG2-CD2 3.45Å; I87-F99 VanDerWaalsContact CG2-CD2 3.45Å; I87-F99 HydrophobicContact CG2-CE2 3.85Å; I87-F99 HydrophobicContact CG2-CG 4.08Å; T95-F99 WeakPolarHBondContact O-CD2 3.18Å; T95-F99 PolarHBondContact O-N 3.45Å; E97-F99 PolarHBondContact O-N 2.95Å; F99-I102 HydrophobicContact CD1-CD1 4.46Å; F99-I102 PolarHBondContact O-N 2.86Å; F99-A103 WeakPolarHBondContact O-CB 3.49Å; F99-A103 PolarHBondContact O-N 3.27Å
100	G	64	Low	63.1	Low	1 Å²	1	73.7 Å²	73.7	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-45.9	173.5	0	0	0	0	0	112.9	T96 E97 L98 I102 A103 V104	T96-G100 PolarHBondContact O-N 3.46Å; E97-G100 PolarHBondContact O-N 3.43Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 2.86Å; G100-I102 VanDerWaalsContact C-N 3.32Å; G100-I102 PolarHBondContact O-N 2.91Å; G100-A103 PolarHBondContact O-N 3.12Å; G100-V104 WeakPolarHBondContact O-CG2 3.35Å; G100-V104 PolarHBondContact O-N 3.32Å
101	W	61.3	Low	63.8	Low	158 Å²	158	65.6 Å²	65.6	60%	0.598	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-38.1	174.1	-79.3	114.3	0	0	0	112.7	E97 L98 S105	E97-W101 PolarHBondContact O-N 3.27Å; L98-W101 PolarHBondContact O-N 2.78Å; W101-S105 VanDerWaalsContact O-CB 3.24Å; W101-S105 WeakPolarHBondContact O-CB 3.47Å; W101-S105 PolarHBondContact O-N 3.35Å; W101-S105 PolarHBondContact O-OG 2.84Å
102	I	68.6	Low	64.6	Low	89 Å²	89	68 Å²	68	46%	0.456	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-44.2	174.7	-68.6	162.6	0	0	0	110.3	L98 F99 G100 S105 L106	L98-I102 WeakPolarHBondContact O-CD1 3.39Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 3.15Å; F99-I102 HydrophobicContact CD1-CD1 4.46Å; F99-I102 PolarHBondContact O-N 2.86Å; G100-I102 VanDerWaalsContact C-N 3.32Å; G100-I102 PolarHBondContact O-N 2.91Å; I102-S105 PolarHBondContact O-N 3.28Å; I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.45Å; I102-L106 WeakPolarHBondContact O-CB 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.1Å; I102-L106 PolarHBondContact O-N 2.76Å
103	A	68.2	Low	65.6	Low	7 Å²	7	68.3 Å²	68.3	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-50.6	176.9	0	0	0	0	0	111.5	F99 G100 S105 L106 E107	F99-A103 WeakPolarHBondContact O-CB 3.49Å; F99-A103 PolarHBondContact O-N 3.27Å; G100-A103 PolarHBondContact O-N 3.12Å; A103-S105 VanDerWaalsContact C-N 3.31Å; A103-S105 PolarHBondContact O-N 3.28Å; A103-L106 PolarHBondContact O-N 3.35Å; A103-E107 WeakPolarHBondContact O-CG 3.29Å; A103-E107 PolarHBondContact O-N 2.75Å
104	V	67.4	Low	66.1	Low	27 Å²	27	66.4 Å²	66.4	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-42.5	176.5	172.5	0	0	0	0	111.2	L36 G100 E107 V108	L36-V104 HydrophobicContact CD1-CG1 3.91Å; G100-V104 WeakPolarHBondContact O-CG2 3.35Å; G100-V104 PolarHBondContact O-N 3.32Å; V104-E107 PolarHBondContact O-N 3.14Å; V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 2.98Å
105	S	68.5	Low	66.6	Low	60 Å²	60	59.7 Å²	59.7	42%	0.42	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-41.6	178.5	-59.7	0	0	0	0	112	W101 I102 A103 E107 V108 I109	W101-S105 VanDerWaalsContact O-CB 3.24Å; W101-S105 WeakPolarHBondContact O-CB 3.47Å; W101-S105 PolarHBondContact O-N 3.35Å; W101-S105 PolarHBondContact O-OG 2.84Å; I102-S105 PolarHBondContact O-N 3.28Å; A103-S105 VanDerWaalsContact C-N 3.31Å; A103-S105 PolarHBondContact O-N 3.28Å; S105-E107 VanDerWaalsContact C-N 3.33Å; S105-V108 PolarHBondContact O-N 3.36Å; S105-I109 VanDerWaalsContact O-CG1 3.29Å; S105-I109 WeakPolarHBondContact O-CG1 3.26Å; S105-I109 PolarHBondContact O-N 3.37Å
106	L	68.9	Low	67.3	Low	82 Å²	82	59.1 Å²	59.1	43%	0.429	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-42	175	-79.2	166.9	0	0	0	111.3	I102 A103 I109 L110	I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.45Å; I102-L106 WeakPolarHBondContact O-CB 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.1Å; I102-L106 PolarHBondContact O-N 2.76Å; A103-L106 PolarHBondContact O-N 3.35Å; L106-I109 PolarHBondContact O-N 2.84Å; L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 VanDerWaalsContact O-CG 3.25Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.28Å
107	E	69.2	Low	68	Low	10 Å²	10	63.7 Å²	63.7	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-42.2	175.9	-73.1	179.3	178	0	0	112.6	S33 L36 W77 A103 V104 S105 I109 L110 F111	S33-E107 WeakPolarHBondContact CA-OE1 3.25Å; S33-E107 VanDerWaalsContact CA-OE2 3.22Å; S33-E107 WeakPolarHBondContact CA-OE2 3.37Å; S33-E107 WeakPolarHBondContact CB-OE1 3.47Å; L36-E107 HydrophobicContact CB-CB 4.38Å; L36-E107 WeakPolarHBondContact CB-OE2 3.43Å; L36-E107 HydrophobicContact CD1-CB 4.42Å; L36-E107 WeakPolarHBondContact CD1-OE2 3.18Å; L36-E107 HydrophobicContact CD2-CB 4.35Å; W77-E107 PolarHBondContact NE1-OE1 2.94Å; A103-E107 WeakPolarHBondContact O-CG 3.29Å; A103-E107 PolarHBondContact O-N 2.75Å; V104-E107 PolarHBondContact O-N 3.14Å; S105-E107 VanDerWaalsContact C-N 3.33Å; E107-I109 VanDerWaalsContact C-N 3.35Å; E107-I109 PolarHBondContact O-N 2.87Å; E107-L110 PolarHBondContact O-N 2.91Å; E107-F111 WeakPolarHBondContact O-CB 3.46Å; E107-F111 PolarHBondContact O-N 3.4Å
108	V	70.6	Confident	68.5	Low	61 Å²	61	60.4 Å²	60.4	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-44	175.5	172.7	0	0	0	0	110.8	L36 V104 S105 L110 F111 I112	L36-V108 HydrophobicContact CD1-CG2 4.28Å; L36-V108 HydrophobicContact CD2-CG2 3.87Å; V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 2.98Å; S105-V108 PolarHBondContact O-N 3.36Å; V108-L110 VanDerWaalsContact C-N 3.31Å; V108-L110 PolarHBondContact O-N 3.33Å; V108-F111 PolarHBondContact O-N 3.47Å; V108-I112 HydrophobicContact CG1-CD1 3.9Å; V108-I112 VanDerWaalsContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.2Å; V108-I112 PolarHBondContact O-N 3.14Å
109	I	73.4	Confident	68.7	Low	106 Å²	106	58.2 Å²	58.2	54%	0.544	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-43.4	176.1	-68	164.2	0	0	0	110.4	S105 L106 E107 I112 S113	S105-I109 VanDerWaalsContact O-CG1 3.29Å; S105-I109 WeakPolarHBondContact O-CG1 3.26Å; S105-I109 PolarHBondContact O-N 3.37Å; L106-I109 PolarHBondContact O-N 2.84Å; E107-I109 VanDerWaalsContact C-N 3.35Å; E107-I109 PolarHBondContact O-N 2.87Å; I109-I112 PolarHBondContact O-N 3.12Å; I109-S113 WeakPolarHBondContact O-CB 3.46Å; I109-S113 PolarHBondContact O-N 3.09Å; I109-S113 PolarHBondContact O-OG 3.35Å
110	L	68.1	Low	69.1	Low	24 Å²	24	61 Å²	61	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-43.7	177.9	-73	167.2	0	0	0	111.8	L76 L106 E107 V108 I112 S113 A114	L76-L110 HydrophobicContact CB-CD1 3.69Å; L76-L110 HydrophobicContact CD1-CD1 4.03Å; L76-L110 HydrophobicContact CD1-CD2 3.41Å; L76-L110 VanDerWaalsContact CD1-CD2 3.41Å; L76-L110 HydrophobicContact CD1-CG 4.3Å; L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 VanDerWaalsContact O-CG 3.25Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.28Å; E107-L110 PolarHBondContact O-N 2.91Å; V108-L110 VanDerWaalsContact C-N 3.31Å; V108-L110 PolarHBondContact O-N 3.33Å; L110-I112 PolarHBondContact O-N 2.89Å; L110-S113 WeakPolarHBondContact CA-OG 3.38Å; L110-S113 PolarHBondContact O-N 3.03Å; L110-S113 PolarHBondContact O-OG 2.92Å; L110-A114 WeakPolarHBondContact O-CB 3.19Å; L110-A114 PolarHBondContact O-N 3.37Å
111	F	70.6	Confident	69.4	Low	56 Å²	56	62.8 Å²	62.8	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-47.5	175.5	-179.1	-101.2	0	0	0	111.9	L39 Y40 V43 E107 V108 S113 A114 A115	L39-F111 HydrophobicContact CD2-CD2 3.85Å; L39-F111 HydrophobicContact CD2-CE1 4.06Å; L39-F111 HydrophobicContact CD2-CE2 3.25Å; L39-F111 HydrophobicContact CD2-CG 4.48Å; L39-F111 HydrophobicContact CD2-CZ 3.36Å; Y40-F111 HydrophobicContact CD2-CD2 4.34Å; V43-F111 HydrophobicContact CB-CE2 4.12Å; V43-F111 HydrophobicContact CG1-CE2 4.34Å; V43-F111 HydrophobicContact CG2-CE2 3.78Å; V43-F111 HydrophobicContact CG2-CZ 3.99Å; E107-F111 WeakPolarHBondContact O-CB 3.46Å; E107-F111 PolarHBondContact O-N 3.4Å; V108-F111 PolarHBondContact O-N 3.47Å; F111-S113 VanDerWaalsContact C-N 3.34Å; F111-S113 PolarHBondContact O-N 3.34Å; F111-A114 PolarHBondContact O-N 2.92Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 2.98Å
112	I	72.5	Confident	69.5	Low	109 Å²	109	58.8 Å²	58.8	56%	0.559	33%	0.325	S	S	*	.	H	α-helix	trans	-62.8	-42.3	176.9	-66.6	167.3	0	0	0	110.7	V108 I109 L110 A114 A115 G116	V108-I112 HydrophobicContact CG1-CD1 3.9Å; V108-I112 VanDerWaalsContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.2Å; V108-I112 PolarHBondContact O-N 3.14Å; I109-I112 PolarHBondContact O-N 3.12Å; L110-I112 PolarHBondContact O-N 2.89Å; I112-A114 PolarHBondContact O-N 3.35Å; I112-A115 PolarHBondContact O-N 2.55Å; I112-G116 PolarHBondContact O-N 3.27Å
113	S	71.3	Confident	69.6	Low	50 Å²	50	59.2 Å²	59.2	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-41.2	179.6	75	0	0	0	0	112.2	I109 L110 F111 G116 L117	I109-S113 WeakPolarHBondContact O-CB 3.46Å; I109-S113 PolarHBondContact O-N 3.09Å; I109-S113 PolarHBondContact O-OG 3.35Å; L110-S113 WeakPolarHBondContact CA-OG 3.38Å; L110-S113 PolarHBondContact O-N 3.03Å; L110-S113 PolarHBondContact O-OG 2.92Å; F111-S113 VanDerWaalsContact C-N 3.34Å; F111-S113 PolarHBondContact O-N 3.34Å; S113-G116 PolarHBondContact O-N 3.21Å; S113-L117 WeakPolarHBondContact O-CG 3.49Å; S113-L117 PolarHBondContact O-N 2.94Å
114	A	70	Confident	69.7	Low	15 Å²	15	61.6 Å²	61.6	12%	0.124	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-41.8	176.2	0	0	0	0	0	111.8	Y40 L110 F111 I112 G116 L117 Y118	Y40-A114 HydrophobicContact CD2-CB 4.42Å; Y40-A114 HydrophobicContact CE2-CB 3.54Å; L110-A114 WeakPolarHBondContact O-CB 3.19Å; L110-A114 PolarHBondContact O-N 3.37Å; F111-A114 PolarHBondContact O-N 2.92Å; I112-A114 PolarHBondContact O-N 3.35Å; A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 2.87Å; A114-L117 PolarHBondContact O-N 2.91Å; A114-Y118 WeakPolarHBondContact O-CB 3.15Å; A114-Y118 PolarHBondContact O-N 3Å
115	A	69.2	Low	69.6	Low	36 Å²	36	62.5 Å²	62.5	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-38.9	173.3	0	0	0	0	0	112.1	F111 I112 Y118 C119	F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 2.98Å; I112-A115 PolarHBondContact O-N 2.55Å; A115-Y118 PolarHBondContact O-N 3.46Å; A115-C119 PolarHBondContact O-N 3.46Å; A115-C119 PolarHBondContact O-SG 2.95Å
116	G	72.2	Confident	69.5	Low	40 Å²	40	67.4 Å²	67.4	41%	0.412	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-46.4	176.1	0	0	0	0	0	112.9	I112 S113 A114 Y118 C119 F120	I112-G116 PolarHBondContact O-N 3.27Å; S113-G116 PolarHBondContact O-N 3.21Å; A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 2.87Å; G116-Y118 VanDerWaalsContact C-N 3.27Å; G116-Y118 PolarHBondContact O-N 2.65Å; G116-C119 PolarHBondContact O-N 2.65Å; G116-F120 WeakPolarHBondContact O-CB 2.95Å; G116-F120 PolarHBondContact O-N 3.49Å
117	L	69.5	Low	69.4	Low	95 Å²	95	71.7 Å²	71.7	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-40	174	-73.5	172.7	0	0	0	111.3	S113 A114 F120 Q121	S113-L117 WeakPolarHBondContact O-CG 3.49Å; S113-L117 PolarHBondContact O-N 2.94Å; A114-L117 PolarHBondContact O-N 2.91Å; L117-F120 WeakPolarHBondContact O-CB 3.25Å; L117-F120 PolarHBondContact O-N 2.95Å; L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.35Å; L117-Q121 PolarHBondContact O-N 3.31Å
118	Y	66	Low	68.9	Low	35 Å²	35	80.1 Å²	80.1	14%	0.137	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-47.7	174.1	-178.9	-96.6	0	0	0	112.5	L47 I51 A114 A115 G116 F120 Q121 W122	L47-Y118 HydrophobicContact CB-CD2 3.76Å; L47-Y118 HydrophobicContact CB-CE2 3.36Å; L47-Y118 HydrophobicContact CD1-CD1 4.37Å; L47-Y118 HydrophobicContact CD1-CD2 3.55Å; L47-Y118 HydrophobicContact CD1-CE2 4.01Å; L47-Y118 HydrophobicContact CD1-CG 3.68Å; L47-Y118 HydrophobicContact CD2-CD1 3.48Å; L47-Y118 VanDerWaalsContact CD2-CD1 3.48Å; L47-Y118 HydrophobicContact CD2-CD2 3.66Å; L47-Y118 HydrophobicContact CD2-CE1 3.22Å; L47-Y118 HydrophobicContact CD2-CE2 3.41Å; L47-Y118 VanDerWaalsContact CD2-CE2 3.41Å; L47-Y118 HydrophobicContact CD2-CG 3.63Å; L47-Y118 HydrophobicContact CG-CD1 4.42Å; L47-Y118 HydrophobicContact CG-CD2 3.76Å; L47-Y118 HydrophobicContact CG-CE1 4.34Å; L47-Y118 HydrophobicContact CG-CE2 3.66Å; L47-Y118 HydrophobicContact CG-CG 4.08Å; I51-Y118 HydrophobicContact CD1-CD2 4.24Å; I51-Y118 HydrophobicContact CD1-CE2 3.63Å; I51-Y118 HydrophobicContact CG1-CE2 3.94Å; A114-Y118 WeakPolarHBondContact O-CB 3.15Å; A114-Y118 PolarHBondContact O-N 3Å; A115-Y118 PolarHBondContact O-N 3.46Å; G116-Y118 VanDerWaalsContact C-N 3.27Å; G116-Y118 PolarHBondContact O-N 2.65Å; Y118-F120 PolarHBondContact O-N 2.8Å; Y118-Q121 CarbonylContact O-C 3.59Å; Y118-Q121 WeakPolarHBondContact O-CB 3.2Å; Y118-Q121 PolarHBondContact O-N 3.08Å; Y118-Q121 VanDerWaalsContact O-N 3.08Å; Y118-W122 AromaticContact CE1-CD1 3.23Å; Y118-W122 AromaticContact CE1-CG 3.98Å; Y118-W122 HydrophobicContact CE1-CG 3.98Å; Y118-W122 AromaticContact CE1-NE1 3.62Å; Y118-W122 AromaticContact CE2-CD1 3.69Å; Y118-W122 AromaticContact CZ-CD1 3.09Å; Y118-W122 AromaticContact CZ-NE1 3.22Å; Y118-W122 PolarHBondContact O-N 3.47Å; Y118-W122 VanDerWaalsContact OH-CD1 3.27Å; Y118-W122 PolarHBondContact OH-NE1 3.43Å
119	C	69.8	Low	67.8	Low	72 Å²	72	84.9 Å²	84.9	49%	0.486	45%	0.445	S	S	.	.	H	α-helix	trans	-56.5	-40.8	176.4	-73.4	0	0	0	0	110.9	A115 G116 W122 L123	A115-C119 PolarHBondContact O-N 3.46Å; A115-C119 PolarHBondContact O-SG 2.95Å; G116-C119 PolarHBondContact O-N 2.65Å; C119-W122 PolarHBondContact O-N 2.91Å; C119-L123 WeakPolarHBondContact O-CB 3.26Å; C119-L123 VanDerWaalsContact O-CG 3.29Å; C119-L123 WeakPolarHBondContact O-CG 3.22Å; C119-L123 PolarHBondContact O-N 3.21Å
120	F	72.1	Confident	67.5	Low	149 Å²	149	83.8 Å²	83.8	65%	0.654	44%	0.44	S	S	*	.	H	α-helix	trans	-63.8	-43.7	175	-173	-96.3	0	0	0	112.4	G116 L117 Y118 L123 S124	G116-F120 WeakPolarHBondContact O-CB 2.95Å; G116-F120 PolarHBondContact O-N 3.49Å; L117-F120 WeakPolarHBondContact O-CB 3.25Å; L117-F120 PolarHBondContact O-N 2.95Å; Y118-F120 PolarHBondContact O-N 2.8Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-S124 WeakPolarHBondContact O-CB 3.28Å; F120-S124 PolarHBondContact O-N 3.18Å; F120-S124 PolarHBondContact O-OG 2.61Å; F120-S124 VanDerWaalsContact O-OG 3.09Å
121	Q	69.4	Low	67.5	Low	37 Å²	37	86.9 Å²	86.9	17%	0.173	46%	0.457	C	S	.	.	H	α-helix	trans	-61.4	-43.7	173.8	-73.8	175	-6.1	0	0	111.9	L117 Y118 S124 L125	L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.35Å; L117-Q121 PolarHBondContact O-N 3.31Å; Y118-Q121 CarbonylContact O-C 3.59Å; Y118-Q121 WeakPolarHBondContact O-CB 3.2Å; Y118-Q121 PolarHBondContact O-N 3.08Å; Y118-Q121 VanDerWaalsContact O-N 3.08Å; Q121-S124 WeakPolarHBondContact CA-OG 3.5Å; Q121-S124 PolarHBondContact O-N 3.37Å; Q121-S124 PolarHBondContact O-OG 3.36Å; Q121-L125 WeakPolarHBondContact O-CG 3.49Å; Q121-L125 PolarHBondContact O-N 3.41Å
122	W	63.1	Low	67.3	Low	74 Å²	74	88.7 Å²	88.7	28%	0.28	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.5	-118	80.5	0	0	0	113.1	K54 Y118 C119 L125 R126	K54-W122 HydrophobicContact CD-CH2 3.75Å; K54-W122 HydrophobicContact CD-CZ2 3.85Å; K54-W122 HydrophobicContact CD-CZ3 4.45Å; Y118-W122 AromaticContact CE1-CD1 3.23Å; Y118-W122 AromaticContact CE1-CG 3.98Å; Y118-W122 HydrophobicContact CE1-CG 3.98Å; Y118-W122 AromaticContact CE1-NE1 3.62Å; Y118-W122 AromaticContact CE2-CD1 3.69Å; Y118-W122 AromaticContact CZ-CD1 3.09Å; Y118-W122 AromaticContact CZ-NE1 3.22Å; Y118-W122 PolarHBondContact O-N 3.47Å; Y118-W122 VanDerWaalsContact OH-CD1 3.27Å; Y118-W122 PolarHBondContact OH-NE1 3.43Å; C119-W122 PolarHBondContact O-N 2.91Å; W122-L125 PolarHBondContact O-N 3.45Å; W122-R126 HydrophobicContact CE3-CG 4.45Å; W122-R126 PolarHBondContact O-N 3.38Å
123	L	71	Confident	67	Low	99 Å²	99	87.5 Å²	87.5	52%	0.518	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-46.1	174.7	-74.7	170.1	0	0	0	111.1	C119 F120 L125 R126 F127	C119-L123 WeakPolarHBondContact O-CB 3.26Å; C119-L123 VanDerWaalsContact O-CG 3.29Å; C119-L123 WeakPolarHBondContact O-CG 3.22Å; C119-L123 PolarHBondContact O-N 3.21Å; F120-L123 PolarHBondContact O-N 3.32Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.89Å; L123-R126 WeakPolarHBondContact O-CB 2.92Å; L123-R126 PolarHBondContact O-N 3.47Å; L123-R126 VanDerWaalsContact O-N 3.08Å; L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.26Å
124	S	71.1	Confident	66.7	Low	57 Å²	57	89.8 Å²	89.8	40%	0.399	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-36.3	178.4	61.9	0	0	0	0	112.8	F120 Q121 K128	F120-S124 WeakPolarHBondContact O-CB 3.28Å; F120-S124 PolarHBondContact O-N 3.18Å; F120-S124 PolarHBondContact O-OG 2.61Å; F120-S124 VanDerWaalsContact O-OG 3.09Å; Q121-S124 WeakPolarHBondContact CA-OG 3.5Å; Q121-S124 PolarHBondContact O-N 3.37Å; Q121-S124 PolarHBondContact O-OG 3.36Å; S124-K128 PolarHBondContact O-N 3.18Å
125	L	64.5	Low	66.5	Low	45 Å²	45	94.8 Å²	94.8	24%	0.236	49%	0.493	C	S	.	.	H	α-helix	trans	-67.1	-38.1	172.1	-71.3	172.9	0	0	0	112.3	Q121 W122 L123 F127 K128	Q121-L125 WeakPolarHBondContact O-CG 3.49Å; Q121-L125 PolarHBondContact O-N 3.41Å; W122-L125 PolarHBondContact O-N 3.45Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.89Å; L125-F127 PolarHBondContact O-N 3.42Å; L125-K128 PolarHBondContact O-N 2.77Å
126	R	66.2	Low	66.3	Low	163 Å²	163	99 Å²	99	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-37.1	175.9	-87.9	-69	-159.5	-171.3	6.1	113.4	W122 L123	W122-R126 HydrophobicContact CE3-CG 4.45Å; W122-R126 PolarHBondContact O-N 3.38Å; L123-R126 WeakPolarHBondContact O-CB 2.92Å; L123-R126 PolarHBondContact O-N 3.47Å; L123-R126 VanDerWaalsContact O-N 3.08Å
127	F	68.2	Low	65.8	Low	173 Å²	173	103.5 Å²	103.5	76%	0.759	51%	0.514	S	S	*	.	H	α-helix	trans	-83.4	-10.3	179.4	-74.1	-68.6	0	0	0	114.4	L123 L125	L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.26Å; L125-F127 PolarHBondContact O-N 3.42Å
128	K	57.5	Low	65.5	Low	187 Å²	187	104.3 Å²	104.3	81%	0.813	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.9	178.7	-156.4	175.6	-180	-176	0	113.3	S124 L125	S124-K128 PolarHBondContact O-N 3.18Å; L125-K128 PolarHBondContact O-N 2.77Å
129	S	47.5	Very low	65.5	Low	160 Å²	160	110.5 Å²	110.5	100%	1.119	55%	0.55	S	S	*	*			trans	-88.2	0	167.7	178	0	0	0	0	110.8

Retrieved 129 of 129 residues in 173.5 ms (Link to these results)

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