A0A5K4F7M9_SCHMA Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7M9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 aa.

						>A0A5K4F7M9_SCHMA|A0A5K4F7M9
MNTLLSEPNPAKDNFYELLGVSKHSTEDQILYEYRIKARELHPDKNSEPNSASYFQKIQKAKEVLTNPNLRNMYDFWLFSNISVSFEQYLGSQKNFEEVCISISAMFSVCTGILMLIKLLGCWIVLQTLMRVLWRKTTLISFLTF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	48.7	Very low	230 Å²	230	132.4 Å²	132.4	100%	1.133	76%	0.757	S	S	*	*				0	128.5	0	-100	87	174.3	0	0	108.7
2	N	47	Very low	49.9	Very low	150 Å²	150	123.8 Å²	123.8	80%	0.802	71%	0.705	S	S	*	*			trans	81	55.3	175.8	-54.7	2.5	0	0	0	117.2	L4	N2-L4 VanDerWaalsContact C-N 3.28Å; N2-L4 PolarHBondContact O-N 3.24Å
3	T	43.2	Very low	51.7	Low	131 Å²	131	120.2 Å²	120.2	80%	0.804	68%	0.682	S	S	*	*			trans	-75.3	75.1	154	-37.2	0	0	0	0	109.1
4	L	47.9	Very low	54.4	Low	160 Å²	160	113.5 Å²	113.5	84%	0.838	64%	0.644	S	S	*	*			trans	-113.5	99.5	165.6	-72.4	-178.4	0	0	0	108.1	N2 S6	N2-L4 VanDerWaalsContact C-N 3.28Å; N2-L4 PolarHBondContact O-N 3.24Å; L4-S6 PolarHBondContact O-N 3.1Å; L4-S6 VanDerWaalsContact O-N 3.13Å
5	L	45.3	Very low	57	Low	144 Å²	144	106.9 Å²	106.9	75%	0.754	61%	0.605	S	S	*	*			trans	-46.8	108.5	173.2	-63.7	156.9	0	0	0	109.9	E7	L5-E7 PolarHBondContact O-N 2.91Å
6	S	51.2	Low	59.3	Low	111 Å²	111	101.4 Å²	101.4	78%	0.776	57%	0.572	S	S	*	*			trans	-67.1	89.1	150.6	56.2	0	0	0	0	106.2	L4 P8	L4-S6 PolarHBondContact O-N 3.1Å; L4-S6 VanDerWaalsContact O-N 3.13Å; S6-P8 WeakPolarHBondContact O-CD 3.47Å
7	E	54.6	Low	61.2	Low	156 Å²	156	102.6 Å²	102.6	73%	0.729	57%	0.572	S	S	*	*			trans	-46.3	116.8	161.9	-73.4	-82.9	148.5	0	0	106.8	L5 N9	L5-E7 PolarHBondContact O-N 2.91Å; E7-N9 PolarHBondContact O-N 3.11Å
8	P	51.8	Low	62.9	Low	89 Å²	89	98.6 Å²	98.6	58%	0.578	55%	0.549	S	S	*	.			trans	-63.3	108.1	178.7	25.2	-31	0	0	0	106.2	S6 P10	S6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-P10 WeakPolarHBondContact O-CD 3.08Å
9	N	52	Low	64.4	Low	74 Å²	74	93.4 Å²	93.4	40%	0.396	52%	0.52	S	S	.	.			trans	-62.6	105.8	175	-179.3	-10.2	0	0	0	107.1	E7 A11 K12	E7-N9 PolarHBondContact O-N 3.11Å; N9-A11 PolarHBondContact O-N 3.17Å; N9-A11 WeakPolarHBondContact OD1-CB 3.45Å; N9-A11 PolarHBondContact OD1-N 3.3Å; N9-K12 PolarHBondContact O-N 3.11Å
10	P	51.2	Low	65.8	Low	125 Å²	125	91.5 Å²	91.5	81%	0.812	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.9	-171.3	30.3	-34.9	0	0	0	112.1	P8	P8-P10 WeakPolarHBondContact O-CD 3.08Å
11	A	53	Low	67.2	Low	86 Å²	86	87.9 Å²	87.9	71%	0.711	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.1	175.8	0	0	0	0	0	113.7	N9	N9-A11 PolarHBondContact O-N 3.17Å; N9-A11 WeakPolarHBondContact OD1-CB 3.45Å; N9-A11 PolarHBondContact OD1-N 3.3Å
12	K	63.5	Low	69.7	Low	29 Å²	29	79.8 Å²	79.8	13%	0.126	47%	0.468	C	S	.	.	S	Bend	trans	-112.9	101.9	178.4	-70.1	-179.3	178.1	-178.2	0	108.9	N9 N14 W77 I82	N9-K12 PolarHBondContact O-N 3.11Å; K12-N14 PolarHBondContact O-N 3.24Å; K12-W77 HydrophobicContact CB-CH2 4.26Å; K12-W77 HydrophobicContact CD-CH2 3.77Å; K12-W77 HydrophobicContact CD-CZ2 4.11Å; K12-W77 HydrophobicContact CG-CH2 4Å; K12-W77 HydrophobicContact CG-CZ2 4.46Å; K12-I82 WeakPolarHBondContact CE-O 3.45Å; K12-I82 PolarHBondContact NZ-O 2.88Å
13	D	72.7	Confident	71.8	Confident	77 Å²	77	77.7 Å²	77.7	41%	0.412	45%	0.452	S	S	.	.			trans	-62	100	172.2	-67.1	-40.3	0	0	0	109	F15 K57	D13-F15 PolarHBondContact O-N 3.31Å; D13-K57 IonicContact OD1-NZ 3.85Å; D13-K57 WeakPolarHBondContact OD2-CD 3.28Å; D13-K57 WeakPolarHBondContact OD2-CE 3.39Å; D13-K57 IonicContact OD2-NZ 2.66Å; D13-K57 PolarHBondContact OD2-NZ 2.97Å
14	N	89.7	Confident	74.2	Confident	27 Å²	27	79.5 Å²	79.5	14%	0.144	45%	0.451	C	S	.	.			trans	-66.3	119.9	176.3	-76.2	-26.7	0	0	0	108.9	K12 Y16 E17 L18 Y74 L78	K12-N14 PolarHBondContact O-N 3.24Å; N14-Y16 VanDerWaalsContact C-N 3.25Å; N14-Y16 PolarHBondContact O-N 2.72Å; N14-E17 HydrophobicContact CB-CB 3.97Å; N14-E17 HydrophobicContact CB-CG 3.84Å; N14-E17 PolarHBondContact ND2-OE1 3.08Å; N14-E17 PolarHBondContact O-N 2.79Å; N14-E17 VanDerWaalsContact O-N 3.13Å; N14-L18 WeakPolarHBondContact O-CB 3.29Å; N14-L18 PolarHBondContact O-N 3.47Å; N14-Y74 WeakPolarHBondContact CA-OH 3.5Å; N14-L78 WeakPolarHBondContact OD1-CD1 3.28Å
15	F	93.2	Very high	76.4	Confident	15 Å²	15	72.5 Å²	72.5	7%	0.066	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-33.3	-177.2	-67.2	-25.5	0	0	0	112.6	D13 L19 A61 V64 L65 Y74 F86	D13-F15 PolarHBondContact O-N 3.31Å; F15-L19 PolarHBondContact O-N 3.38Å; F15-A61 HydrophobicContact CB-CB 3.67Å; F15-A61 HydrophobicContact CD1-CB 3.75Å; F15-A61 HydrophobicContact CG-CB 3.8Å; F15-V64 HydrophobicContact CD2-CB 4.01Å; F15-V64 HydrophobicContact CD2-CG1 3.87Å; F15-V64 HydrophobicContact CD2-CG2 4.37Å; F15-V64 HydrophobicContact CE2-CB 4Å; F15-V64 HydrophobicContact CE2-CG1 3.92Å; F15-V64 HydrophobicContact CE2-CG2 3.86Å; F15-L65 HydrophobicContact CB-CD1 4.14Å; F15-L65 HydrophobicContact CB-CD2 4.41Å; F15-L65 HydrophobicContact CB-CG 4.2Å; F15-Y74 HydrophobicContact CB-CE1 4.05Å; F15-Y74 HydrophobicContact CB-CE2 4.5Å; F15-Y74 HydrophobicContact CD2-CD1 4.25Å; F15-Y74 AromaticContact CD2-CD2 3.52Å; F15-Y74 HydrophobicContact CD2-CD2 3.52Å; F15-Y74 AromaticContact CD2-CE1 3.99Å; F15-Y74 HydrophobicContact CD2-CE1 3.99Å; F15-Y74 AromaticContact CD2-CE2 3.22Å; F15-Y74 HydrophobicContact CD2-CE2 3.22Å; F15-Y74 HydrophobicContact CD2-CG 4.03Å; F15-Y74 AromaticContact CD2-CZ 3.48Å; F15-Y74 VanDerWaalsContact CD2-CZ 3.48Å; F15-Y74 AromaticContact CE2-CD2 3.59Å; F15-Y74 HydrophobicContact CE2-CD2 3.59Å; F15-Y74 AromaticContact CE2-CE2 3.43Å; F15-Y74 HydrophobicContact CE2-CE2 3.43Å; F15-Y74 VanDerWaalsContact CE2-CE2 3.43Å; F15-Y74 HydrophobicContact CE2-CG 4.43Å; F15-Y74 HydrophobicContact CG-CE1 4.33Å; F15-Y74 AromaticContact CG-CE2 3.91Å; F15-Y74 HydrophobicContact CG-CE2 3.91Å; F15-Y74 AromaticContact CG-CZ 3.77Å; F15-Y74 HydrophobicContact CZ-CE2 4.26Å; F15-Y74 PolarHBondContact N-OH 2.99Å; F15-F86 AromaticContact CE2-CD1 3.62Å; F15-F86 HydrophobicContact CE2-CD1 3.62Å; F15-F86 AromaticContact CE2-CE1 3.95Å; F15-F86 HydrophobicContact CE2-CE1 3.95Å; F15-F86 HydrophobicContact CE2-CG 4.31Å; F15-F86 HydrophobicContact CZ-CD1 4.02Å
16	Y	93.8	Very high	78.7	Confident	18 Å²	18	69.1 Å²	69.1	7%	0.071	40%	0.401	C	S	.	.	H	α-helix	trans	-63.5	-46.7	173.9	-64.4	-72	0	0	0	111.5	N14 L19 G20 V21 K23 L65 R71 Y74 D75	N14-Y16 VanDerWaalsContact C-N 3.25Å; N14-Y16 PolarHBondContact O-N 2.72Å; Y16-L19 CarbonylContact O-C 3.59Å; Y16-L19 PolarHBondContact O-N 3.07Å; Y16-G20 PolarHBondContact O-N 3.32Å; Y16-V21 HydrophobicContact CD1-CG2 4.15Å; Y16-V21 PolarHBondContact O-N 3.27Å; Y16-K23 HydrophobicContact CE1-CB 4.46Å; Y16-K23 HydrophobicContact CE2-CG 4.44Å; Y16-L65 HydrophobicContact CD1-CD1 3.75Å; Y16-L65 HydrophobicContact CD1-CD2 4.12Å; Y16-L65 HydrophobicContact CE1-CD1 3.91Å; Y16-L65 HydrophobicContact CE1-CD2 3.54Å; Y16-L65 HydrophobicContact CE1-CG 4.35Å; Y16-L65 HydrophobicContact CE2-CD2 4.06Å; Y16-L65 HydrophobicContact CG-CD1 4.33Å; Y16-R71 PolarHBondContact OH-NE 3.36Å; Y16-Y74 HydrophobicContact CD2-CD1 4.47Å; Y16-Y74 AromaticContact CD2-CE1 3.85Å; Y16-Y74 HydrophobicContact CD2-CE1 3.85Å; Y16-Y74 AromaticContact CE2-CD1 3.83Å; Y16-Y74 HydrophobicContact CE2-CD1 3.83Å; Y16-Y74 AromaticContact CE2-CE1 3.66Å; Y16-Y74 HydrophobicContact CE2-CE1 3.66Å; Y16-D75 WeakPolarHBondContact CE2-OD1 3.25Å; Y16-D75 PolarHBondContact OH-OD1 2.96Å
17	E	91.7	Very high	80.8	Confident	123 Å²	123	68.7 Å²	68.7	58%	0.575	39%	0.386	S	S	*	.	H	α-helix	trans	-67.3	-40.8	177.5	-66.9	172	-160.4	0	0	111.4	N14 L19 G20	N14-E17 HydrophobicContact CB-CB 3.97Å; N14-E17 HydrophobicContact CB-CG 3.84Å; N14-E17 PolarHBondContact ND2-OE1 3.08Å; N14-E17 PolarHBondContact O-N 2.79Å; N14-E17 VanDerWaalsContact O-N 3.13Å; E17-L19 VanDerWaalsContact C-N 3.25Å; E17-L19 PolarHBondContact O-N 3.16Å; E17-G20 PolarHBondContact O-N 2.85Å
18	L	91.4	Very high	82.8	Confident	30 Å²	30	67.2 Å²	67.2	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-36.8	177.9	-168.9	72.5	0	0	0	111.9	N14 K37 K57 I58 A61	N14-L18 WeakPolarHBondContact O-CB 3.29Å; N14-L18 PolarHBondContact O-N 3.47Å; L18-K37 WeakPolarHBondContact O-CD 3.47Å; L18-K37 PolarHBondContact O-NZ 3.36Å; L18-K57 HydrophobicContact CD2-CB 3.56Å; L18-K57 WeakPolarHBondContact CD2-O 3.27Å; L18-I58 HydrophobicContact CD1-CG1 4.27Å; L18-I58 HydrophobicContact CD2-CB 4.5Å; L18-I58 HydrophobicContact CD2-CG1 3.81Å; L18-I58 HydrophobicContact CG-CG1 3.74Å; L18-A61 HydrophobicContact CD2-CB 4.06Å
19	L	92.6	Very high	84.9	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-89.1	-9.6	173.7	-78.2	171	0	0	0	114	F15 Y16 E17 V21 I30 Y34 K37 I58 A61 L65	F15-L19 PolarHBondContact O-N 3.38Å; Y16-L19 CarbonylContact O-C 3.59Å; Y16-L19 PolarHBondContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.25Å; E17-L19 PolarHBondContact O-N 3.16Å; L19-V21 HydrophobicContact CB-CG1 4.33Å; L19-V21 HydrophobicContact CB-CG2 3.76Å; L19-I30 HydrophobicContact CD1-CG2 4.08Å; L19-Y34 HydrophobicContact CD2-CD2 4.2Å; L19-K37 WeakPolarHBondContact O-CE 3.44Å; L19-K37 PolarHBondContact O-NZ 2.98Å; L19-K37 VanDerWaalsContact O-NZ 3.15Å; L19-I58 HydrophobicContact CD2-CG2 3.86Å; L19-A61 HydrophobicContact CD1-CB 3.79Å; L19-A61 HydrophobicContact CG-CB 4.03Å; L19-L65 HydrophobicContact CD1-CD1 3.95Å
20	G	91.9	Very high	86.9	Confident	55 Å²	55	64.2 Å²	64.2	57%	0.567	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	24.8	-179.1	0	0	0	0	0	113.1	Y16 E17 K37	Y16-G20 PolarHBondContact O-N 3.32Å; E17-G20 PolarHBondContact O-N 2.85Å; G20-K37 VanDerWaalsContact N-NZ 3.13Å
21	V	94.2	Very high	89.1	Confident	15 Å²	15	59.9 Å²	59.9	9%	0.091	33%	0.329	C	S	.	.			trans	-108.3	155.1	-176.7	-67.9	0	0	0	0	110.5	Y16 L19 I30 E33 L65	Y16-V21 HydrophobicContact CD1-CG2 4.15Å; Y16-V21 PolarHBondContact O-N 3.27Å; L19-V21 HydrophobicContact CB-CG1 4.33Å; L19-V21 HydrophobicContact CB-CG2 3.76Å; V21-I30 HydrophobicContact CB-CG1 4.49Å; V21-I30 HydrophobicContact CG1-CG1 4.43Å; V21-I30 HydrophobicContact CG2-CG1 4.27Å; V21-E33 HydrophobicContact CG1-CB 3.74Å; V21-E33 HydrophobicContact CG1-CG 3.57Å; V21-L65 HydrophobicContact CG2-CD1 4.22Å
22	S	92.7	Very high	91.1	Very high	60 Å²	60	62.3 Å²	62.3	42%	0.42	32%	0.321	S	S	.	.			trans	-82.4	157.6	175.6	113	0	0	0	0	110.2	H24 S25	S22-H24 PolarHBondContact O-N 3.32Å; S22-H24 VanDerWaalsContact O-N 3.08Å; S22-H24 PolarHBondContact OG-N 3.02Å; S22-S25 PolarHBondContact N-OG 3.46Å; S22-S25 VanDerWaalsContact N-OG 3.12Å; S22-S25 VanDerWaalsContact O-CB 3.31Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.47Å; S22-S25 PolarHBondContact O-OG 2.87Å; S22-S25 PolarHBondContact OG-N 2.92Å
23	K	91	Very high	92.6	Very high	106 Å²	106	63.9 Å²	63.9	46%	0.461	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.7	171.6	-176.9	172.5	-179.6	173.4	0	112.8	Y16 R71 D75	Y16-K23 HydrophobicContact CE1-CB 4.46Å; Y16-K23 HydrophobicContact CE2-CG 4.44Å; K23-R71 PolarHBondContact O-NH2 2.98Å; K23-D75 WeakPolarHBondContact CE-OD2 3.34Å; K23-D75 IonicContact NZ-OD2 3.56Å
24	H	92.5	Very high	93.7	Very high	170 Å²	170	62.1 Å²	62.1	79%	0.787	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	1.5	178.6	-56.2	-65	0	0	0	113.6	S22	S22-H24 PolarHBondContact O-N 3.32Å; S22-H24 VanDerWaalsContact O-N 3.08Å; S22-H24 PolarHBondContact OG-N 3.02Å
25	S	93.7	Very high	94	Very high	13 Å²	13	68.1 Å²	68.1	9%	0.091	34%	0.337	C	S	.	.			trans	-63.6	139.7	179	-68.7	0	0	0	0	111.8	S22 Q29 R71	S22-S25 PolarHBondContact N-OG 3.46Å; S22-S25 VanDerWaalsContact N-OG 3.12Å; S22-S25 VanDerWaalsContact O-CB 3.31Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.47Å; S22-S25 PolarHBondContact O-OG 2.87Å; S22-S25 PolarHBondContact OG-N 2.92Å; S25-Q29 VanDerWaalsContact CA-OE1 3.32Å; S25-R71 PolarHBondContact O-NH1 3.26Å; S25-R71 PolarHBondContact O-NH2 3.29Å
26	T	95.2	Very high	94	Very high	73 Å²	73	69 Å²	69	45%	0.448	34%	0.342	S	S	.	.			trans	-72.2	162.1	174.9	62.5	0	0	0	0	110.7	D28 Q29 I30	T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 PolarHBondContact O-N 3.48Å; T26-Q29 PolarHBondContact O-N 3.1Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.34Å; T26-Q29 PolarHBondContact OG1-N 2.99Å; T26-I30 WeakPolarHBondContact O-CD1 3.34Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.38Å
27	E	95.2	Very high	94	Very high	101 Å²	101	70.2 Å²	70.2	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-55.9	-42.2	176.8	-171.6	-179.2	173.7	0	0	111.9	Q29 I30 L31 T66	E27-Q29 PolarHBondContact O-N 3.06Å; E27-I30 WeakPolarHBondContact O-CB 3.49Å; E27-I30 PolarHBondContact O-N 3.47Å; E27-L31 HydrophobicContact CG-CD1 4.21Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 2.99Å; E27-T66 HydrophobicContact CG-CG2 4.14Å
28	D	95.4	Very high	94	Very high	126 Å²	126	65 Å²	65	67%	0.674	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-41.2	178.4	-66.1	-36.4	0	0	0	112.8	T26 L31 Y32	T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 PolarHBondContact O-N 3.48Å; D28-L31 PolarHBondContact O-N 3.36Å; D28-Y32 WeakPolarHBondContact O-CB 3.39Å; D28-Y32 PolarHBondContact O-N 3.43Å
29	Q	95.3	Very high	94	Very high	99 Å²	99	70.9 Å²	70.9	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-42.3	176.2	-72.2	174.3	-9.7	0	0	111.2	S25 T26 E27 L31 Y32 E33	S25-Q29 VanDerWaalsContact CA-OE1 3.32Å; T26-Q29 PolarHBondContact O-N 3.1Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.34Å; T26-Q29 PolarHBondContact OG1-N 2.99Å; E27-Q29 PolarHBondContact O-N 3.06Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.41Å; Q29-Y32 WeakPolarHBondContact O-CB 3.49Å; Q29-Y32 PolarHBondContact O-N 3.17Å; Q29-E33 PolarHBondContact O-N 3.36Å
30	I	95.7	Very high	93.7	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.8	-45	176.7	-68.3	160.7	0	0	0	110.5	L19 V21 T26 E27 Y32 Y34 L65 T66	L19-I30 HydrophobicContact CD1-CG2 4.08Å; V21-I30 HydrophobicContact CB-CG1 4.49Å; V21-I30 HydrophobicContact CG1-CG1 4.43Å; V21-I30 HydrophobicContact CG2-CG1 4.27Å; T26-I30 WeakPolarHBondContact O-CD1 3.34Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.38Å; E27-I30 WeakPolarHBondContact O-CB 3.49Å; E27-I30 PolarHBondContact O-N 3.47Å; I30-Y32 VanDerWaalsContact C-N 3.35Å; I30-Y34 VanDerWaalsContact O-CB 3.27Å; I30-Y34 WeakPolarHBondContact O-CB 3.24Å; I30-Y34 PolarHBondContact O-N 3.11Å; I30-L65 HydrophobicContact CD1-CB 4.16Å; I30-L65 HydrophobicContact CG2-CB 4.02Å; I30-T66 HydrophobicContact CG2-CG2 4.21Å
31	L	95.8	Very high	93.5	Very high	35 Å²	35	76.2 Å²	76.2	18%	0.183	36%	0.358	C	S	.	.	H	α-helix	trans	-66.1	-37.2	176.9	-73	174.5	0	0	0	112.2	E27 D28 Q29 R35 K62 T66	E27-L31 HydrophobicContact CG-CD1 4.21Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 2.99Å; D28-L31 PolarHBondContact O-N 3.36Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.41Å; L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.17Å; L31-K62 HydrophobicContact CD2-CG 4.19Å; L31-T66 HydrophobicContact CD2-CG2 3.64Å; L31-T66 HydrophobicContact CG-CG2 3.96Å
32	Y	95.9	Very high	93.1	Very high	137 Å²	137	79.4 Å²	79.4	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-52.3	176	177.7	-97.8	0	0	0	111.7	D28 Q29 I30 Y34 R35 I36	D28-Y32 WeakPolarHBondContact O-CB 3.39Å; D28-Y32 PolarHBondContact O-N 3.43Å; Q29-Y32 WeakPolarHBondContact O-CB 3.49Å; Q29-Y32 PolarHBondContact O-N 3.17Å; I30-Y32 VanDerWaalsContact C-N 3.35Å; Y32-Y34 VanDerWaalsContact C-N 3.34Å; Y32-Y34 PolarHBondContact O-N 2.8Å; Y32-R35 WeakPolarHBondContact O-CB 3.27Å; Y32-R35 PolarHBondContact O-N 2.96Å; Y32-R35 VanDerWaalsContact O-N 3.11Å; Y32-I36 HydrophobicContact CD1-CD1 3.96Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.43Å; Y32-I36 HydrophobicContact CE2-CD1 4.46Å; Y32-I36 PolarHBondContact O-N 2.95Å; Y32-I36 VanDerWaalsContact O-N 3.17Å
33	E	96	Very high	92.7	Very high	61 Å²	61	79.5 Å²	79.5	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-40.7	178.5	-70.1	-54.6	142.5	0	0	112	V21 Q29 R35 I36 K37	V21-E33 HydrophobicContact CG1-CB 3.74Å; V21-E33 HydrophobicContact CG1-CG 3.57Å; Q29-E33 PolarHBondContact O-N 3.36Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.11Å; E33-I36 PolarHBondContact O-N 3.22Å; E33-K37 PolarHBondContact O-N 3.15Å
34	Y	96	Very high	92.5	Very high	40 Å²	40	81.1 Å²	81.1	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-44.8	172.2	168.6	-102.4	0	0	0	112.1	L19 I30 Y32 I36 K37 A38 I58 K62	L19-Y34 HydrophobicContact CD2-CD2 4.2Å; I30-Y34 VanDerWaalsContact O-CB 3.27Å; I30-Y34 WeakPolarHBondContact O-CB 3.24Å; I30-Y34 PolarHBondContact O-N 3.11Å; Y32-Y34 VanDerWaalsContact C-N 3.34Å; Y32-Y34 PolarHBondContact O-N 2.8Å; Y34-I36 VanDerWaalsContact C-N 3.31Å; Y34-I36 PolarHBondContact O-N 3.47Å; Y34-K37 PolarHBondContact O-N 2.71Å; Y34-A38 HydrophobicContact CE1-CB 4.44Å; Y34-A38 HydrophobicContact CE2-CB 4.26Å; Y34-A38 WeakPolarHBondContact O-CB 3.22Å; Y34-A38 PolarHBondContact O-N 3.44Å; Y34-I58 HydrophobicContact CD2-CG2 3.57Å; Y34-I58 HydrophobicContact CE2-CG2 3.82Å; Y34-K62 HydrophobicContact CD1-CB 4.41Å; Y34-K62 HydrophobicContact CD1-CD 4.19Å; Y34-K62 HydrophobicContact CD1-CG 3.85Å; Y34-K62 HydrophobicContact CD2-CB 3.47Å; Y34-K62 VanDerWaalsContact CD2-CB 3.47Å; Y34-K62 HydrophobicContact CD2-CD 4.47Å; Y34-K62 HydrophobicContact CD2-CG 3.85Å; Y34-K62 HydrophobicContact CE1-CD 4.04Å; Y34-K62 HydrophobicContact CE1-CG 4.19Å; Y34-K62 HydrophobicContact CE2-CB 3.86Å; Y34-K62 HydrophobicContact CE2-CD 4.34Å; Y34-K62 HydrophobicContact CE2-CG 4.21Å; Y34-K62 HydrophobicContact CG-CB 3.78Å; Y34-K62 HydrophobicContact CG-CD 4.4Å; Y34-K62 HydrophobicContact CG-CG 3.66Å
35	R	95	Very high	92.1	Very high	154 Å²	154	79.6 Å²	79.6	58%	0.581	38%	0.376	S	S	*	.	H	α-helix	trans	-65.9	-31.2	179.3	-72.5	168.7	-168.8	173.9	6.4	112.8	L31 Y32 E33 R39	L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.17Å; Y32-R35 WeakPolarHBondContact O-CB 3.27Å; Y32-R35 PolarHBondContact O-N 2.96Å; Y32-R35 VanDerWaalsContact O-N 3.11Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.11Å; R35-R39 VanDerWaalsContact O-CG 3.29Å; R35-R39 WeakPolarHBondContact O-CG 3.02Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 PolarHBondContact O-NE 2.91Å
36	I	93.9	Very high	91.4	Very high	33 Å²	33	81.5 Å²	81.5	17%	0.169	39%	0.385	C	S	.	.	H	α-helix	trans	-67.9	-56.9	173.4	-66	171.5	0	0	0	108.9	Y32 E33 Y34 A38 R39 E40	Y32-I36 HydrophobicContact CD1-CD1 3.96Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.43Å; Y32-I36 HydrophobicContact CE2-CD1 4.46Å; Y32-I36 PolarHBondContact O-N 2.95Å; Y32-I36 VanDerWaalsContact O-N 3.17Å; E33-I36 PolarHBondContact O-N 3.22Å; Y34-I36 VanDerWaalsContact C-N 3.31Å; Y34-I36 PolarHBondContact O-N 3.47Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.98Å; I36-R39 PolarHBondContact O-N 3.49Å; I36-R39 VanDerWaalsContact O-N 3.08Å; I36-E40 WeakPolarHBondContact CG2-OE1 3.42Å; I36-E40 PolarHBondContact O-N 3.37Å; I36-E40 VanDerWaalsContact O-N 3.16Å
37	K	92.1	Very high	90.5	Very high	44 Å²	44	84 Å²	84	19%	0.191	41%	0.405	C	S	.	.	H	α-helix	trans	-61.8	-38.9	-177.3	-66.1	-166.8	-179.6	-161.8	0	113.4	L18 L19 G20 E33 Y34 R39 E40 L41 I58	L18-K37 WeakPolarHBondContact O-CD 3.47Å; L18-K37 PolarHBondContact O-NZ 3.36Å; L19-K37 WeakPolarHBondContact O-CE 3.44Å; L19-K37 PolarHBondContact O-NZ 2.98Å; L19-K37 VanDerWaalsContact O-NZ 3.15Å; G20-K37 VanDerWaalsContact N-NZ 3.13Å; E33-K37 PolarHBondContact O-N 3.15Å; Y34-K37 PolarHBondContact O-N 2.71Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 2.99Å; K37-E40 PolarHBondContact O-N 3.03Å; K37-L41 WeakPolarHBondContact O-CB 3.12Å; K37-L41 PolarHBondContact O-N 2.8Å; K37-I58 HydrophobicContact CB-CD1 4.28Å; K37-I58 HydrophobicContact CB-CG2 4.48Å
38	A	92.5	Very high	90	Very high	14 Å²	14	85.5 Å²	85.5	12%	0.116	41%	0.412	C	S	.	.	H	α-helix	trans	-64.2	-32.2	177.5	0	0	0	0	0	112.6	Y34 I36 H42 F55	Y34-A38 HydrophobicContact CE1-CB 4.44Å; Y34-A38 HydrophobicContact CE2-CB 4.26Å; Y34-A38 WeakPolarHBondContact O-CB 3.22Å; Y34-A38 PolarHBondContact O-N 3.44Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.98Å; A38-H42 WeakPolarHBondContact O-CB 3.48Å; A38-H42 PolarHBondContact O-N 2.66Å; A38-F55 HydrophobicContact CB-CE2 4.05Å
39	R	90.8	Very high	89.3	Confident	152 Å²	152	84.8 Å²	84.8	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-76.8	-30.9	176.1	-76	-178.3	-65	153	-0.4	112.9	R35 I36 K37 K45	R35-R39 VanDerWaalsContact O-CG 3.29Å; R35-R39 WeakPolarHBondContact O-CG 3.02Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 PolarHBondContact O-NE 2.91Å; I36-R39 PolarHBondContact O-N 3.49Å; I36-R39 VanDerWaalsContact O-N 3.08Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 2.99Å; R39-K45 WeakPolarHBondContact O-CD 3.44Å; R39-K45 PolarHBondContact O-NZ 3.21Å
40	E	88	Confident	88.6	Confident	119 Å²	119	84.7 Å²	84.7	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-76.9	-40.8	176.9	-70.1	172.8	178.3	0	0	111.4	I36 K37 N46	I36-E40 WeakPolarHBondContact CG2-OE1 3.42Å; I36-E40 PolarHBondContact O-N 3.37Å; I36-E40 VanDerWaalsContact O-N 3.16Å; K37-E40 PolarHBondContact O-N 3.03Å; E40-N46 PolarHBondContact O-ND2 3.23Å
41	L	87.7	Confident	88	Confident	49 Å²	49	85.3 Å²	85.3	26%	0.257	42%	0.421	S	S	.	.	S	Bend	trans	-97.6	13.7	-175.3	-64.8	167.9	0	0	0	113.9	K37 N46 I58	K37-L41 WeakPolarHBondContact O-CB 3.12Å; K37-L41 PolarHBondContact O-N 2.8Å; L41-N46 WeakPolarHBondContact CA-ND2 3.38Å; L41-I58 HydrophobicContact CD1-CD1 3.11Å; L41-I58 HydrophobicContact CG-CD1 4.49Å
42	H	84.8	Confident	87.6	Confident	81 Å²	81	85.9 Å²	85.9	38%	0.375	43%	0.431	S	S	.	.			trans	-62.1	131.2	180	-164.6	-92.6	0	0	0	110.1	A38 D44 K45 N46	A38-H42 WeakPolarHBondContact O-CB 3.48Å; A38-H42 PolarHBondContact O-N 2.66Å; H42-D44 WeakPolarHBondContact ND1-CB 3.35Å; H42-D44 PolarHBondContact ND1-N 2.89Å; H42-D44 PolarHBondContact O-N 3.42Å; H42-D44 VanDerWaalsContact O-N 3.1Å; H42-K45 PolarHBondContact O-N 3.48Å; H42-N46 PolarHBondContact O-N 2.89Å; H42-N46 VanDerWaalsContact O-N 3.11Å
43	P	84.7	Confident	87.2	Confident	63 Å²	63	82 Å²	82	41%	0.409	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	-176.1	24.4	-34.9	0	0	0	113.4	K45	P43-K45 VanDerWaalsContact C-N 3.32Å
44	D	85.8	Confident	86.8	Confident	140 Å²	140	84.7 Å²	84.7	75%	0.749	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.6	173.2	-168	53.2	0	0	0	113.2	H42	H42-D44 WeakPolarHBondContact ND1-CB 3.35Å; H42-D44 PolarHBondContact ND1-N 2.89Å; H42-D44 PolarHBondContact O-N 3.42Å; H42-D44 VanDerWaalsContact O-N 3.1Å
45	K	83.9	Confident	86.5	Confident	138 Å²	138	84.8 Å²	84.8	60%	0.6	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-29.6	-178.4	-66.8	-176.4	-177.5	175.6	0	113	R39 H42 P43	R39-K45 WeakPolarHBondContact O-CD 3.44Å; R39-K45 PolarHBondContact O-NZ 3.21Å; H42-K45 PolarHBondContact O-N 3.48Å; P43-K45 VanDerWaalsContact C-N 3.32Å
46	N	79.5	Confident	86.3	Confident	53 Å²	53	83.1 Å²	83.1	28%	0.283	43%	0.432	S	S	.	.			trans	-115.8	106	-176.3	-66.9	-16.9	0	0	0	110.8	E40 L41 H42 E48 S51	E40-N46 PolarHBondContact O-ND2 3.23Å; L41-N46 WeakPolarHBondContact CA-ND2 3.38Å; H42-N46 PolarHBondContact O-N 2.89Å; H42-N46 VanDerWaalsContact O-N 3.11Å; N46-E48 PolarHBondContact O-N 2.95Å; N46-S51 WeakPolarHBondContact O-CB 3.2Å; N46-S51 PolarHBondContact O-OG 3.24Å; N46-S51 VanDerWaalsContact O-OG 3.11Å
47	S	77.5	Confident	86.2	Confident	124 Å²	124	84.5 Å²	84.5	87%	0.867	44%	0.437	S	S	*	.			trans	-76.1	6.9	177.2	-50.5	0	0	0	0	114.3
48	E	83.2	Confident	86.2	Confident	134 Å²	134	82.6 Å²	82.6	63%	0.626	43%	0.429	S	S	*	.			trans	-65.2	136.5	178.5	-70.9	-63.3	153.7	0	0	110.6	N46 N50 S51	N46-E48 PolarHBondContact O-N 2.95Å; E48-N50 PolarHBondContact O-N 3.04Å; E48-S51 VanDerWaalsContact O-CB 3.28Å; E48-S51 WeakPolarHBondContact O-CB 3.39Å; E48-S51 PolarHBondContact O-N 3.42Å; E48-S51 PolarHBondContact O-OG 2.97Å
49	P	80.4	Confident	86.3	Confident	110 Å²	110	85.4 Å²	85.4	71%	0.714	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.3	-177.5	24.6	-34	0	0	0	112.8
50	N	81.8	Confident	86.4	Confident	98 Å²	98	82.4 Å²	82.4	52%	0.524	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.4	-179.9	-63.7	-31.9	0	0	0	113.5	E48 A52 S53 Y54	E48-N50 PolarHBondContact O-N 3.04Å; N50-A52 VanDerWaalsContact C-N 3.32Å; N50-A52 PolarHBondContact O-N 3.44Å; N50-S53 WeakPolarHBondContact O-CB 3.34Å; N50-S53 PolarHBondContact O-N 3.17Å; N50-S53 VanDerWaalsContact O-N 3.1Å; N50-Y54 HydrophobicContact CB-CD2 3.9Å; N50-Y54 HydrophobicContact CB-CE2 3.84Å; N50-Y54 VanDerWaalsContact O-CD2 3.24Å; N50-Y54 WeakPolarHBondContact O-CD2 3.18Å; N50-Y54 PolarHBondContact O-N 3.08Å
51	S	83.3	Confident	86.7	Confident	12 Å²	12	76.8 Å²	76.8	8%	0.084	40%	0.404	C	S	.	.	H	α-helix	trans	-56.2	-44.9	-175.5	62.8	0	0	0	0	112.1	N46 E48 S53 Y54 F55	N46-S51 WeakPolarHBondContact O-CB 3.2Å; N46-S51 PolarHBondContact O-OG 3.24Å; N46-S51 VanDerWaalsContact O-OG 3.11Å; E48-S51 VanDerWaalsContact O-CB 3.28Å; E48-S51 WeakPolarHBondContact O-CB 3.39Å; E48-S51 PolarHBondContact O-N 3.42Å; E48-S51 PolarHBondContact O-OG 2.97Å; S51-S53 PolarHBondContact O-N 2.64Å; S51-Y54 PolarHBondContact O-N 3.37Å; S51-F55 WeakPolarHBondContact O-CB 3.33Å; S51-F55 PolarHBondContact O-N 3.33Å
52	A	85.8	Confident	87.1	Confident	48 Å²	48	77.3 Å²	77.3	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-41.2	177.9	0	0	0	0	0	112.5	N50 F55 Q56	N50-A52 VanDerWaalsContact C-N 3.32Å; N50-A52 PolarHBondContact O-N 3.44Å; A52-F55 PolarHBondContact O-N 2.93Å; A52-Q56 VanDerWaalsContact O-CG 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.47Å; A52-Q56 PolarHBondContact O-N 3.3Å
53	S	87.6	Confident	87.5	Confident	56 Å²	56	77.8 Å²	77.8	39%	0.392	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-46.2	177.6	-178.9	0	0	0	0	111.3	N50 S51 F55 Q56 K57	N50-S53 WeakPolarHBondContact O-CB 3.34Å; N50-S53 PolarHBondContact O-N 3.17Å; N50-S53 VanDerWaalsContact O-N 3.1Å; S51-S53 PolarHBondContact O-N 2.64Å; S53-F55 PolarHBondContact O-N 2.95Å; S53-Q56 PolarHBondContact O-N 2.84Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 3.13Å
54	Y	87.7	Confident	88	Confident	116 Å²	116	75.3 Å²	75.3	46%	0.455	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-41.9	175.8	-81	-72.5	0	0	0	112.5	N50 S51 Q56 K57 I58	N50-Y54 HydrophobicContact CB-CD2 3.9Å; N50-Y54 HydrophobicContact CB-CE2 3.84Å; N50-Y54 VanDerWaalsContact O-CD2 3.24Å; N50-Y54 WeakPolarHBondContact O-CD2 3.18Å; N50-Y54 PolarHBondContact O-N 3.08Å; S51-Y54 PolarHBondContact O-N 3.37Å; Y54-Q56 VanDerWaalsContact C-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.28Å; Y54-K57 PolarHBondContact O-N 3.44Å; Y54-I58 WeakPolarHBondContact O-CG1 3.46Å; Y54-I58 PolarHBondContact O-N 3.18Å
55	F	91	Very high	88.5	Confident	43 Å²	43	68.7 Å²	68.7	19%	0.189	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176.6	-174.2	-95.9	0	0	0	111.6	A38 S51 A52 S53 K57 I58 Q59	A38-F55 HydrophobicContact CB-CE2 4.05Å; S51-F55 WeakPolarHBondContact O-CB 3.33Å; S51-F55 PolarHBondContact O-N 3.33Å; A52-F55 PolarHBondContact O-N 2.93Å; S53-F55 PolarHBondContact O-N 2.95Å; F55-K57 PolarHBondContact O-N 2.84Å; F55-I58 PolarHBondContact O-N 2.99Å; F55-Q59 WeakPolarHBondContact O-CB 3.39Å; F55-Q59 PolarHBondContact O-N 3.06Å
56	Q	90.3	Very high	89	Confident	119 Å²	119	63.2 Å²	63.2	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-60.3	-43	174.9	-74	175.5	13.1	0	0	112.1	A52 S53 Y54 I58 Q59 K60	A52-Q56 VanDerWaalsContact O-CG 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.47Å; A52-Q56 PolarHBondContact O-N 3.3Å; S53-Q56 PolarHBondContact O-N 2.84Å; Y54-Q56 VanDerWaalsContact C-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.28Å; Q56-I58 PolarHBondContact O-N 3.33Å; Q56-Q59 PolarHBondContact O-N 3.41Å; Q56-K60 WeakPolarHBondContact O-CG 3.38Å; Q56-K60 PolarHBondContact O-N 2.87Å
57	K	91.2	Very high	89.8	Confident	62 Å²	62	64 Å²	64	27%	0.27	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-42.8	177	-67.7	178.9	-179.6	-168.2	0	111.8	D13 L18 S53 Y54 F55 K60 A61	D13-K57 IonicContact OD1-NZ 3.85Å; D13-K57 WeakPolarHBondContact OD2-CD 3.28Å; D13-K57 WeakPolarHBondContact OD2-CE 3.39Å; D13-K57 IonicContact OD2-NZ 2.66Å; D13-K57 PolarHBondContact OD2-NZ 2.97Å; L18-K57 HydrophobicContact CD2-CB 3.56Å; L18-K57 WeakPolarHBondContact CD2-O 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 3.13Å; Y54-K57 PolarHBondContact O-N 3.44Å; F55-K57 PolarHBondContact O-N 2.84Å; K57-K60 PolarHBondContact O-N 3.19Å; K57-A61 WeakPolarHBondContact O-CB 3.33Å; K57-A61 PolarHBondContact O-N 3.3Å
58	I	92.9	Very high	90.6	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-38.5	179.6	-73	168.5	0	0	0	111.4	L18 L19 Y34 K37 L41 Y54 F55 Q56 A61 K62	L18-I58 HydrophobicContact CD1-CG1 4.27Å; L18-I58 HydrophobicContact CD2-CB 4.5Å; L18-I58 HydrophobicContact CD2-CG1 3.81Å; L18-I58 HydrophobicContact CG-CG1 3.74Å; L19-I58 HydrophobicContact CD2-CG2 3.86Å; Y34-I58 HydrophobicContact CD2-CG2 3.57Å; Y34-I58 HydrophobicContact CE2-CG2 3.82Å; K37-I58 HydrophobicContact CB-CD1 4.28Å; K37-I58 HydrophobicContact CB-CG2 4.48Å; L41-I58 HydrophobicContact CD1-CD1 3.11Å; L41-I58 HydrophobicContact CG-CD1 4.49Å; Y54-I58 WeakPolarHBondContact O-CG1 3.46Å; Y54-I58 PolarHBondContact O-N 3.18Å; F55-I58 PolarHBondContact O-N 2.99Å; Q56-I58 PolarHBondContact O-N 3.33Å; I58-A61 PolarHBondContact O-N 3.46Å; I58-K62 PolarHBondContact O-N 3.2Å
59	Q	93.7	Very high	91.1	Very high	74 Å²	74	60.3 Å²	60.3	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-47.4	173.6	-176.8	178.1	-12.9	0	0	111.3	F55 Q56 A61 K62 E63	F55-Q59 WeakPolarHBondContact O-CB 3.39Å; F55-Q59 PolarHBondContact O-N 3.06Å; Q56-Q59 PolarHBondContact O-N 3.41Å; Q59-A61 PolarHBondContact O-N 3.29Å; Q59-K62 PolarHBondContact O-N 3.12Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.33Å; Q59-E63 PolarHBondContact NE2-OE1 3.27Å; Q59-E63 VanDerWaalsContact NE2-OE1 3.11Å; Q59-E63 WeakPolarHBondContact O-CG 3.39Å; Q59-E63 PolarHBondContact O-N 2.96Å
60	K	93.2	Very high	91.8	Very high	89 Å²	89	57.1 Å²	57.1	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-47.1	174.1	-73.9	177.4	172.9	-169.8	0	111.9	Q56 K57 K62 E63 V64 E87	Q56-K60 WeakPolarHBondContact O-CG 3.38Å; Q56-K60 PolarHBondContact O-N 2.87Å; K57-K60 PolarHBondContact O-N 3.19Å; K60-K62 VanDerWaalsContact C-N 3.28Å; K60-K62 PolarHBondContact O-N 3.08Å; K60-E63 PolarHBondContact O-N 2.88Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.45Å; K60-V64 PolarHBondContact O-N 3.47Å; K60-E87 IonicContact NZ-OE1 2.8Å; K60-E87 PolarHBondContact NZ-OE1 3.22Å
61	A	94.5	Very high	92.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-44	177.4	0	0	0	0	0	111.6	F15 L18 L19 K57 I58 Q59 V64 L65	F15-A61 HydrophobicContact CB-CB 3.67Å; F15-A61 HydrophobicContact CD1-CB 3.75Å; F15-A61 HydrophobicContact CG-CB 3.8Å; L18-A61 HydrophobicContact CD2-CB 4.06Å; L19-A61 HydrophobicContact CD1-CB 3.79Å; L19-A61 HydrophobicContact CG-CB 4.03Å; K57-A61 WeakPolarHBondContact O-CB 3.33Å; K57-A61 PolarHBondContact O-N 3.3Å; I58-A61 PolarHBondContact O-N 3.46Å; Q59-A61 PolarHBondContact O-N 3.29Å; A61-V64 PolarHBondContact O-N 3.45Å; A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 VanDerWaalsContact O-CG 3.27Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 3.14Å
62	K	95.2	Very high	92.9	Very high	60 Å²	60	59.1 Å²	59.1	26%	0.261	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-46.6	175.6	173.5	-105.4	169.2	178.9	0	112	L31 Y34 I58 Q59 K60 V64 T66	L31-K62 HydrophobicContact CD2-CG 4.19Å; Y34-K62 HydrophobicContact CD1-CB 4.41Å; Y34-K62 HydrophobicContact CD1-CD 4.19Å; Y34-K62 HydrophobicContact CD1-CG 3.85Å; Y34-K62 HydrophobicContact CD2-CB 3.47Å; Y34-K62 VanDerWaalsContact CD2-CB 3.47Å; Y34-K62 HydrophobicContact CD2-CD 4.47Å; Y34-K62 HydrophobicContact CD2-CG 3.85Å; Y34-K62 HydrophobicContact CE1-CD 4.04Å; Y34-K62 HydrophobicContact CE1-CG 4.19Å; Y34-K62 HydrophobicContact CE2-CB 3.86Å; Y34-K62 HydrophobicContact CE2-CD 4.34Å; Y34-K62 HydrophobicContact CE2-CG 4.21Å; Y34-K62 HydrophobicContact CG-CB 3.78Å; Y34-K62 HydrophobicContact CG-CD 4.4Å; Y34-K62 HydrophobicContact CG-CG 3.66Å; I58-K62 PolarHBondContact O-N 3.2Å; Q59-K62 PolarHBondContact O-N 3.12Å; K60-K62 VanDerWaalsContact C-N 3.28Å; K60-K62 PolarHBondContact O-N 3.08Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 2.9Å; K62-T66 HydrophobicContact CG-CG2 4.15Å; K62-T66 WeakPolarHBondContact O-CB 3.4Å; K62-T66 WeakPolarHBondContact O-CG2 3.46Å; K62-T66 PolarHBondContact O-N 3.38Å; K62-T66 VanDerWaalsContact O-N 3.08Å; K62-T66 PolarHBondContact O-OG1 3.43Å
63	E	95.3	Very high	93.3	Very high	91 Å²	91	58.3 Å²	58.3	43%	0.425	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-39.9	178.5	-72.3	171.1	-167.7	0	0	112.4	Q59 K60 T66	Q59-E63 WeakPolarHBondContact CG-OE1 3.33Å; Q59-E63 PolarHBondContact NE2-OE1 3.27Å; Q59-E63 VanDerWaalsContact NE2-OE1 3.11Å; Q59-E63 WeakPolarHBondContact O-CG 3.39Å; Q59-E63 PolarHBondContact O-N 2.96Å; K60-E63 PolarHBondContact O-N 2.88Å; E63-T66 PolarHBondContact O-OG1 3.01Å
64	V	95.1	Very high	93.6	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-75.2	-45.1	-178.8	175	0	0	0	0	112.1	F15 K60 A61 K62 L70 R71 Y74 F86	F15-V64 HydrophobicContact CD2-CB 4.01Å; F15-V64 HydrophobicContact CD2-CG1 3.87Å; F15-V64 HydrophobicContact CD2-CG2 4.37Å; F15-V64 HydrophobicContact CE2-CB 4Å; F15-V64 HydrophobicContact CE2-CG1 3.92Å; F15-V64 HydrophobicContact CE2-CG2 3.86Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.45Å; K60-V64 PolarHBondContact O-N 3.47Å; A61-V64 PolarHBondContact O-N 3.45Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 2.9Å; V64-L70 HydrophobicContact CG1-CB 4.22Å; V64-L70 CarbonylContact O-C 3.56Å; V64-L70 WeakPolarHBondContact O-CB 3.31Å; V64-R71 PolarHBondContact O-N 3.23Å; V64-R71 VanDerWaalsContact O-N 3.14Å; V64-Y74 HydrophobicContact CG1-CD2 4.28Å; V64-Y74 HydrophobicContact CG1-CG 4Å; V64-F86 HydrophobicContact CB-CE1 4.23Å; V64-F86 HydrophobicContact CG1-CE1 3.62Å; V64-F86 HydrophobicContact CG1-CZ 3.73Å; V64-F86 HydrophobicContact CG2-CD1 4.32Å; V64-F86 HydrophobicContact CG2-CE1 3.52Å; V64-F86 HydrophobicContact CG2-CZ 4.36Å
65	L	95.5	Very high	93.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-78.9	-21	-174.5	-65.1	-173.1	0	0	0	114	F15 Y16 L19 V21 I30 A61 R71 Y74	F15-L65 HydrophobicContact CB-CD1 4.14Å; F15-L65 HydrophobicContact CB-CD2 4.41Å; F15-L65 HydrophobicContact CB-CG 4.2Å; Y16-L65 HydrophobicContact CD1-CD1 3.75Å; Y16-L65 HydrophobicContact CD1-CD2 4.12Å; Y16-L65 HydrophobicContact CE1-CD1 3.91Å; Y16-L65 HydrophobicContact CE1-CD2 3.54Å; Y16-L65 HydrophobicContact CE1-CG 4.35Å; Y16-L65 HydrophobicContact CE2-CD2 4.06Å; Y16-L65 HydrophobicContact CG-CD1 4.33Å; L19-L65 HydrophobicContact CD1-CD1 3.95Å; V21-L65 HydrophobicContact CG2-CD1 4.22Å; I30-L65 HydrophobicContact CD1-CB 4.16Å; I30-L65 HydrophobicContact CG2-CB 4.02Å; A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 VanDerWaalsContact O-CG 3.27Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 3.14Å; L65-R71 HydrophobicContact CD2-CG 4.31Å; L65-Y74 HydrophobicContact CD2-CD1 4.14Å
66	T	95	Very high	93.9	Very high	23 Å²	23	55.1 Å²	55.1	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-80	-35.6	176.7	50.9	0	0	0	0	112.3	E27 I30 L31 K62 E63 P68	E27-T66 HydrophobicContact CG-CG2 4.14Å; I30-T66 HydrophobicContact CG2-CG2 4.21Å; L31-T66 HydrophobicContact CD2-CG2 3.64Å; L31-T66 HydrophobicContact CG-CG2 3.96Å; K62-T66 HydrophobicContact CG-CG2 4.15Å; K62-T66 WeakPolarHBondContact O-CB 3.4Å; K62-T66 WeakPolarHBondContact O-CG2 3.46Å; K62-T66 PolarHBondContact O-N 3.38Å; K62-T66 VanDerWaalsContact O-N 3.08Å; K62-T66 PolarHBondContact O-OG1 3.43Å; E63-T66 PolarHBondContact O-OG1 3.01Å; T66-P68 WeakPolarHBondContact O-CD 3.46Å
67	N	95.3	Very high	94	Very high	70 Å²	70	50 Å²	50	37%	0.374	25%	0.248	S	C	.	.	S	Bend	trans	-80.6	119.1	176.6	-176.1	-32.6	0	0	0	110.4	N69 L70 R71	N67-N69 VanDerWaalsContact C-N 3.26Å; N67-N69 PolarHBondContact O-N 3.43Å; N67-N69 WeakPolarHBondContact OD1-CB 3.45Å; N67-N69 PolarHBondContact OD1-N 3.3Å; N67-L70 HydrophobicContact CB-CB 4.03Å; N67-L70 HydrophobicContact CB-CD1 3.92Å; N67-L70 HydrophobicContact CB-CG 3.97Å; N67-L70 PolarHBondContact O-N 2.88Å; N67-R71 WeakPolarHBondContact O-CB 3.49Å; N67-R71 PolarHBondContact O-N 3.31Å
68	P	94.9	Very high	94	Very high	90 Å²	90	50 Å²	50	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-60.5	-33.5	-176.6	23.8	-34	0	0	0	113	T66 N72	T66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-N72 WeakPolarHBondContact O-CB 3.35Å; P68-N72 PolarHBondContact O-N 3.25Å; P68-N72 VanDerWaalsContact O-N 3.11Å; P68-N72 PolarHBondContact O-ND2 2.88Å
69	N	94	Very high	93.8	Very high	90 Å²	90	58.6 Å²	58.6	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-51.6	176.3	-172.1	-11	0	0	0	110.7	N67 R71 N72 M73	N67-N69 VanDerWaalsContact C-N 3.26Å; N67-N69 PolarHBondContact O-N 3.43Å; N67-N69 WeakPolarHBondContact OD1-CB 3.45Å; N67-N69 PolarHBondContact OD1-N 3.3Å; N69-R71 VanDerWaalsContact C-N 3.3Å; N69-R71 PolarHBondContact O-N 2.83Å; N69-N72 WeakPolarHBondContact O-CB 3.48Å; N69-N72 PolarHBondContact O-N 2.81Å; N69-N72 VanDerWaalsContact O-N 3.15Å; N69-M73 WeakPolarHBondContact O-CG 3.39Å; N69-M73 PolarHBondContact O-N 3.18Å
70	L	94.4	Very high	93.6	Very high	43 Å²	43	57.1 Å²	57.1	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-36.9	179.2	-63.2	179.9	0	0	0	112.4	V64 N67 M73 Y74 L90	V64-L70 HydrophobicContact CG1-CB 4.22Å; V64-L70 CarbonylContact O-C 3.56Å; V64-L70 WeakPolarHBondContact O-CB 3.31Å; N67-L70 HydrophobicContact CB-CB 4.03Å; N67-L70 HydrophobicContact CB-CD1 3.92Å; N67-L70 HydrophobicContact CB-CG 3.97Å; N67-L70 PolarHBondContact O-N 2.88Å; L70-M73 HydrophobicContact CD2-SD 4.29Å; L70-M73 PolarHBondContact O-N 2.93Å; L70-Y74 VanDerWaalsContact O-CB 3.31Å; L70-Y74 WeakPolarHBondContact O-CB 3.49Å; L70-Y74 PolarHBondContact O-N 2.92Å; L70-L90 HydrophobicContact CD2-CD1 4.24Å; L70-L90 HydrophobicContact CD2-CD2 3.84Å
71	R	95.2	Very high	93.3	Very high	44 Å²	44	58.6 Å²	58.6	17%	0.166	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-44.5	174.7	-175.7	177.6	-179.4	167.1	-2	111.8	Y16 K23 S25 V64 L65 N67 N69 Y74 D75	Y16-R71 PolarHBondContact OH-NE 3.36Å; K23-R71 PolarHBondContact O-NH2 2.98Å; S25-R71 PolarHBondContact O-NH1 3.26Å; S25-R71 PolarHBondContact O-NH2 3.29Å; V64-R71 PolarHBondContact O-N 3.23Å; V64-R71 VanDerWaalsContact O-N 3.14Å; L65-R71 HydrophobicContact CD2-CG 4.31Å; N67-R71 WeakPolarHBondContact O-CB 3.49Å; N67-R71 PolarHBondContact O-N 3.31Å; N69-R71 VanDerWaalsContact C-N 3.3Å; N69-R71 PolarHBondContact O-N 2.83Å; R71-Y74 PolarHBondContact O-N 3.06Å; R71-D75 WeakPolarHBondContact O-CB 3.08Å; R71-D75 PolarHBondContact O-N 3Å
72	N	93.8	Very high	92.8	Very high	109 Å²	109	61.3 Å²	61.3	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-62.7	-43.1	175.8	-70.1	-21	0	0	0	111.6	P68 N69 Y74 D75 F76	P68-N72 WeakPolarHBondContact O-CB 3.35Å; P68-N72 PolarHBondContact O-N 3.25Å; P68-N72 VanDerWaalsContact O-N 3.11Å; P68-N72 PolarHBondContact O-ND2 2.88Å; N69-N72 WeakPolarHBondContact O-CB 3.48Å; N69-N72 PolarHBondContact O-N 2.81Å; N69-N72 VanDerWaalsContact O-N 3.15Å; N72-Y74 VanDerWaalsContact C-N 3.33Å; N72-Y74 PolarHBondContact O-N 2.95Å; N72-D75 PolarHBondContact O-N 3.47Å; N72-F76 WeakPolarHBondContact O-CB 3.48Å; N72-F76 PolarHBondContact O-N 3.01Å
73	M	93	Very high	92.4	Very high	30 Å²	30	64.1 Å²	64.1	15%	0.148	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-40.4	175.7	-67.6	178.5	86.8	0	0	111.8	N69 L70 F76 W77 Y89 L90 Q93	N69-M73 WeakPolarHBondContact O-CG 3.39Å; N69-M73 PolarHBondContact O-N 3.18Å; L70-M73 HydrophobicContact CD2-SD 4.29Å; L70-M73 PolarHBondContact O-N 2.93Å; M73-F76 PolarHBondContact O-N 2.94Å; M73-W77 WeakPolarHBondContact O-CB 3.45Å; M73-W77 PolarHBondContact O-N 3.01Å; M73-Y89 HydrophobicContact CB-CE1 4.14Å; M73-Y89 HydrophobicContact CE-CE1 4.41Å; M73-Y89 WeakPolarHBondContact O-CE1 3.44Å; M73-L90 HydrophobicContact CB-CD2 4.32Å; M73-L90 HydrophobicContact CE-CD2 3.75Å; M73-L90 HydrophobicContact SD-CD2 3.83Å; M73-Q93 HydrophobicContact CE-CB 3.37Å; M73-Q93 HydrophobicContact CE-CG 3.38Å
74	Y	93.7	Very high	92	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-45.3	176.3	-178.1	-105.9	0	0	0	112.1	N14 F15 Y16 V64 L65 L70 R71 N72 F76 W77 L78 F86	N14-Y74 WeakPolarHBondContact CA-OH 3.5Å; F15-Y74 HydrophobicContact CB-CE1 4.05Å; F15-Y74 HydrophobicContact CB-CE2 4.5Å; F15-Y74 HydrophobicContact CD2-CD1 4.25Å; F15-Y74 AromaticContact CD2-CD2 3.52Å; F15-Y74 HydrophobicContact CD2-CD2 3.52Å; F15-Y74 AromaticContact CD2-CE1 3.99Å; F15-Y74 HydrophobicContact CD2-CE1 3.99Å; F15-Y74 AromaticContact CD2-CE2 3.22Å; F15-Y74 HydrophobicContact CD2-CE2 3.22Å; F15-Y74 HydrophobicContact CD2-CG 4.03Å; F15-Y74 AromaticContact CD2-CZ 3.48Å; F15-Y74 VanDerWaalsContact CD2-CZ 3.48Å; F15-Y74 AromaticContact CE2-CD2 3.59Å; F15-Y74 HydrophobicContact CE2-CD2 3.59Å; F15-Y74 AromaticContact CE2-CE2 3.43Å; F15-Y74 HydrophobicContact CE2-CE2 3.43Å; F15-Y74 VanDerWaalsContact CE2-CE2 3.43Å; F15-Y74 HydrophobicContact CE2-CG 4.43Å; F15-Y74 HydrophobicContact CG-CE1 4.33Å; F15-Y74 AromaticContact CG-CE2 3.91Å; F15-Y74 HydrophobicContact CG-CE2 3.91Å; F15-Y74 AromaticContact CG-CZ 3.77Å; F15-Y74 HydrophobicContact CZ-CE2 4.26Å; F15-Y74 PolarHBondContact N-OH 2.99Å; Y16-Y74 HydrophobicContact CD2-CD1 4.47Å; Y16-Y74 AromaticContact CD2-CE1 3.85Å; Y16-Y74 HydrophobicContact CD2-CE1 3.85Å; Y16-Y74 AromaticContact CE2-CD1 3.83Å; Y16-Y74 HydrophobicContact CE2-CD1 3.83Å; Y16-Y74 AromaticContact CE2-CE1 3.66Å; Y16-Y74 HydrophobicContact CE2-CE1 3.66Å; V64-Y74 HydrophobicContact CG1-CD2 4.28Å; V64-Y74 HydrophobicContact CG1-CG 4Å; L65-Y74 HydrophobicContact CD2-CD1 4.14Å; L70-Y74 VanDerWaalsContact O-CB 3.31Å; L70-Y74 WeakPolarHBondContact O-CB 3.49Å; L70-Y74 PolarHBondContact O-N 2.92Å; R71-Y74 PolarHBondContact O-N 3.06Å; N72-Y74 VanDerWaalsContact C-N 3.33Å; N72-Y74 PolarHBondContact O-N 2.95Å; Y74-F76 VanDerWaalsContact C-N 3.3Å; Y74-F76 PolarHBondContact O-N 3.11Å; Y74-W77 AromaticContact CD2-CE3 3.97Å; Y74-W77 HydrophobicContact CD2-CE3 3.97Å; Y74-W77 HydrophobicContact CD2-CZ3 4.37Å; Y74-W77 AromaticContact CE2-CE3 3.71Å; Y74-W77 HydrophobicContact CE2-CE3 3.71Å; Y74-W77 AromaticContact CE2-CZ3 3.65Å; Y74-W77 HydrophobicContact CE2-CZ3 3.65Å; Y74-W77 PolarHBondContact O-N 3.33Å; Y74-L78 WeakPolarHBondContact O-CB 3.04Å; Y74-L78 PolarHBondContact O-N 3.37Å; Y74-F86 VanDerWaalsContact CA-CE2 3.43Å; Y74-F86 HydrophobicContact CD2-CD1 4.13Å; Y74-F86 AromaticContact CD2-CD2 3.71Å; Y74-F86 HydrophobicContact CD2-CD2 3.71Å; Y74-F86 HydrophobicContact CD2-CE1 4.19Å; Y74-F86 AromaticContact CD2-CE2 3.8Å; Y74-F86 HydrophobicContact CD2-CE2 3.8Å; Y74-F86 AromaticContact CD2-CG 3.87Å; Y74-F86 HydrophobicContact CD2-CG 3.87Å; Y74-F86 HydrophobicContact CD2-CZ 4.02Å; Y74-F86 HydrophobicContact CE2-CG 4.39Å; Y74-F86 HydrophobicContact CG-CE2 4.3Å; Y74-F86 HydrophobicContact CG-CZ 4.41Å
75	D	93.5	Very high	91.8	Very high	28 Å²	28	64 Å²	64	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-38.6	176.3	-77.4	-7.1	0	0	0	111.9	Y16 K23 R71 N72 L78 F79	Y16-D75 WeakPolarHBondContact CE2-OD1 3.25Å; Y16-D75 PolarHBondContact OH-OD1 2.96Å; K23-D75 WeakPolarHBondContact CE-OD2 3.34Å; K23-D75 IonicContact NZ-OD2 3.56Å; R71-D75 WeakPolarHBondContact O-CB 3.08Å; R71-D75 PolarHBondContact O-N 3Å; N72-D75 PolarHBondContact O-N 3.47Å; D75-L78 PolarHBondContact O-N 2.68Å; D75-F79 WeakPolarHBondContact O-CB 3.47Å; D75-F79 PolarHBondContact O-N 2.82Å
76	F	91.9	Very high	91.5	Very high	120 Å²	120	64.2 Å²	64.2	53%	0.526	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-43.4	173.9	-176.9	-90.4	0	0	0	112.1	N72 M73 Y74 L78 F79 S80 Y89	N72-F76 WeakPolarHBondContact O-CB 3.48Å; N72-F76 PolarHBondContact O-N 3.01Å; M73-F76 PolarHBondContact O-N 2.94Å; Y74-F76 VanDerWaalsContact C-N 3.3Å; Y74-F76 PolarHBondContact O-N 3.11Å; F76-L78 VanDerWaalsContact C-N 3.3Å; F76-L78 PolarHBondContact O-N 2.68Å; F76-F79 PolarHBondContact O-N 3.49Å; F76-S80 VanDerWaalsContact O-CB 3.31Å; F76-S80 WeakPolarHBondContact O-CB 3.31Å; F76-S80 PolarHBondContact O-N 3.28Å; F76-S80 PolarHBondContact O-OG 3.15Å; F76-Y89 VanDerWaalsContact CD1-OH 3.23Å; F76-Y89 WeakPolarHBondContact CD1-OH 3.38Å
77	W	92.2	Very high	91.3	Very high	11 Å²	11	67.3 Å²	67.3	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-39.8	174.5	173.1	83.5	0	0	0	111.9	K12 M73 Y74 S80 V84 F86 Y89	K12-W77 HydrophobicContact CB-CH2 4.26Å; K12-W77 HydrophobicContact CD-CH2 3.77Å; K12-W77 HydrophobicContact CD-CZ2 4.11Å; K12-W77 HydrophobicContact CG-CH2 4Å; K12-W77 HydrophobicContact CG-CZ2 4.46Å; M73-W77 WeakPolarHBondContact O-CB 3.45Å; M73-W77 PolarHBondContact O-N 3.01Å; Y74-W77 AromaticContact CD2-CE3 3.97Å; Y74-W77 HydrophobicContact CD2-CE3 3.97Å; Y74-W77 HydrophobicContact CD2-CZ3 4.37Å; Y74-W77 AromaticContact CE2-CE3 3.71Å; Y74-W77 HydrophobicContact CE2-CE3 3.71Å; Y74-W77 AromaticContact CE2-CZ3 3.65Å; Y74-W77 HydrophobicContact CE2-CZ3 3.65Å; Y74-W77 PolarHBondContact O-N 3.33Å; W77-S80 WeakPolarHBondContact CA-OG 3.36Å; W77-S80 PolarHBondContact O-OG 3.17Å; W77-S80 VanDerWaalsContact O-OG 3.05Å; W77-V84 WeakPolarHBondContact CZ2-O 3.35Å; W77-V84 PolarHBondContact NE1-O 3.39Å; W77-F86 HydrophobicContact CB-CD2 4.03Å; W77-F86 HydrophobicContact CB-CE2 4.42Å; W77-F86 HydrophobicContact CD2-CB 4.12Å; W77-F86 HydrophobicContact CD2-CD2 4.02Å; W77-F86 HydrophobicContact CE3-CB 4.3Å; W77-F86 HydrophobicContact CE3-CD2 4.27Å; W77-F86 AromaticContact CG-CD2 3.91Å; W77-F86 HydrophobicContact CG-CD2 3.91Å; W77-F86 HydrophobicContact CH2-CB 4.4Å; W77-F86 HydrophobicContact CZ2-CB 4.23Å; W77-F86 HydrophobicContact CZ3-CB 4.45Å; W77-Y89 HydrophobicContact CB-CD1 3.94Å; W77-Y89 HydrophobicContact CB-CE1 4.03Å; W77-Y89 HydrophobicContact CB-CG 4.4Å; W77-Y89 AromaticContact CD1-CG 3.79Å; W77-Y89 HydrophobicContact CG-CD1 4.28Å; W77-Y89 HydrophobicContact CG-CG 4.39Å
78	L	90.8	Very high	91.1	Very high	63 Å²	63	69.7 Å²	69.7	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-67.3	-43.8	176.9	-169.2	65.3	0	0	0	111.6	N14 Y74 D75 F76	N14-L78 WeakPolarHBondContact OD1-CD1 3.28Å; Y74-L78 WeakPolarHBondContact O-CB 3.04Å; Y74-L78 PolarHBondContact O-N 3.37Å; D75-L78 PolarHBondContact O-N 2.68Å; F76-L78 VanDerWaalsContact C-N 3.3Å; F76-L78 PolarHBondContact O-N 2.68Å
79	F	89.8	Confident	90.9	Very high	182 Å²	182	66.6 Å²	66.6	80%	0.798	35%	0.346	S	S	*	.	H	α-helix	trans	-67.2	-38.7	178.8	179.1	-100.7	0	0	0	113.3	D75 F76 N81	D75-F79 WeakPolarHBondContact O-CB 3.47Å; D75-F79 PolarHBondContact O-N 2.82Å; F76-F79 PolarHBondContact O-N 3.49Å; F79-N81 PolarHBondContact O-N 3.34Å
80	S	89.3	Confident	90.8	Very high	43 Å²	43	63.8 Å²	63.8	30%	0.301	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.2	-177.3	53.5	0	0	0	0	114.2	F76 W77 I82	F76-S80 VanDerWaalsContact O-CB 3.31Å; F76-S80 WeakPolarHBondContact O-CB 3.31Å; F76-S80 PolarHBondContact O-N 3.28Å; F76-S80 PolarHBondContact O-OG 3.15Å; W77-S80 WeakPolarHBondContact CA-OG 3.36Å; W77-S80 PolarHBondContact O-OG 3.17Å; W77-S80 VanDerWaalsContact O-OG 3.05Å; S80-I82 PolarHBondContact O-N 2.98Å; S80-I82 VanDerWaalsContact O-N 3.13Å; S80-I82 WeakPolarHBondContact OG-CD1 3.4Å; S80-I82 VanDerWaalsContact OG-CG1 3.31Å; S80-I82 WeakPolarHBondContact OG-CG1 3.44Å
81	N	86.6	Confident	90.6	Very high	120 Å²	120	63.1 Å²	63.1	64%	0.642	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	36.2	179.5	-164.8	31.9	0	0	0	114	F79	F79-N81 PolarHBondContact O-N 3.34Å
82	I	85.5	Confident	90.4	Very high	57 Å²	57	64.5 Å²	64.5	29%	0.292	35%	0.351	S	S	.	.			trans	-71.2	143.1	-179.3	-55.3	164.2	0	0	0	109.5	K12 S80 V84 Y89	K12-I82 WeakPolarHBondContact CE-O 3.45Å; K12-I82 PolarHBondContact NZ-O 2.88Å; S80-I82 PolarHBondContact O-N 2.98Å; S80-I82 VanDerWaalsContact O-N 3.13Å; S80-I82 WeakPolarHBondContact OG-CD1 3.4Å; S80-I82 VanDerWaalsContact OG-CG1 3.31Å; S80-I82 WeakPolarHBondContact OG-CG1 3.44Å; I82-V84 VanDerWaalsContact C-N 3.35Å; I82-V84 HydrophobicContact CB-CG2 4.39Å; I82-V84 HydrophobicContact CG2-CB 4.23Å; I82-V84 HydrophobicContact CG2-CG1 4.11Å; I82-V84 HydrophobicContact CG2-CG2 3.53Å; I82-Y89 HydrophobicContact CD1-CD2 4.43Å; I82-Y89 HydrophobicContact CD1-CE2 4.49Å
83	S	86.4	Confident	90.1	Very high	120 Å²	120	62.5 Å²	62.5	84%	0.839	34%	0.338	S	S	*	.	S	Bend	trans	-75.7	-18.1	-179.7	54.5	0	0	0	0	114.7
84	V	87.2	Confident	89.8	Confident	51 Å²	51	67.2 Å²	67.2	31%	0.309	36%	0.358	S	S	.	.	S	Bend	trans	-72.2	152.1	180	-52.3	0	0	0	0	111.8	W77 I82 Q88	W77-V84 WeakPolarHBondContact CZ2-O 3.35Å; W77-V84 PolarHBondContact NE1-O 3.39Å; I82-V84 VanDerWaalsContact C-N 3.35Å; I82-V84 HydrophobicContact CB-CG2 4.39Å; I82-V84 HydrophobicContact CG2-CB 4.23Å; I82-V84 HydrophobicContact CG2-CG1 4.11Å; I82-V84 HydrophobicContact CG2-CG2 3.53Å; V84-Q88 HydrophobicContact CB-CB 4.39Å
85	S	89.4	Confident	89.6	Confident	47 Å²	47	71.6 Å²	71.6	33%	0.329	38%	0.381	S	S	.	.			trans	-67	155.5	175.5	76.9	0	0	0	0	111.4	E87 Q88 Y89	S85-E87 PolarHBondContact O-N 3.41Å; S85-E87 PolarHBondContact OG-OE2 3.47Å; S85-Q88 PolarHBondContact O-N 3.34Å; S85-Q88 WeakPolarHBondContact OG-CG 3.5Å; S85-Q88 PolarHBondContact OG-N 2.94Å; S85-Y89 PolarHBondContact O-N 2.91Å
86	F	90.8	Very high	89.4	Confident	7 Å²	7	76.5 Å²	76.5	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-34	178.1	179.6	-111.9	0	0	0	111.9	F15 V64 Y74 W77 Y89 L90	F15-F86 AromaticContact CE2-CD1 3.62Å; F15-F86 HydrophobicContact CE2-CD1 3.62Å; F15-F86 AromaticContact CE2-CE1 3.95Å; F15-F86 HydrophobicContact CE2-CE1 3.95Å; F15-F86 HydrophobicContact CE2-CG 4.31Å; F15-F86 HydrophobicContact CZ-CD1 4.02Å; V64-F86 HydrophobicContact CB-CE1 4.23Å; V64-F86 HydrophobicContact CG1-CE1 3.62Å; V64-F86 HydrophobicContact CG1-CZ 3.73Å; V64-F86 HydrophobicContact CG2-CD1 4.32Å; V64-F86 HydrophobicContact CG2-CE1 3.52Å; V64-F86 HydrophobicContact CG2-CZ 4.36Å; Y74-F86 VanDerWaalsContact CA-CE2 3.43Å; Y74-F86 HydrophobicContact CD2-CD1 4.13Å; Y74-F86 AromaticContact CD2-CD2 3.71Å; Y74-F86 HydrophobicContact CD2-CD2 3.71Å; Y74-F86 HydrophobicContact CD2-CE1 4.19Å; Y74-F86 AromaticContact CD2-CE2 3.8Å; Y74-F86 HydrophobicContact CD2-CE2 3.8Å; Y74-F86 AromaticContact CD2-CG 3.87Å; Y74-F86 HydrophobicContact CD2-CG 3.87Å; Y74-F86 HydrophobicContact CD2-CZ 4.02Å; Y74-F86 HydrophobicContact CE2-CG 4.39Å; Y74-F86 HydrophobicContact CG-CE2 4.3Å; Y74-F86 HydrophobicContact CG-CZ 4.41Å; W77-F86 HydrophobicContact CB-CD2 4.03Å; W77-F86 HydrophobicContact CB-CE2 4.42Å; W77-F86 HydrophobicContact CD2-CB 4.12Å; W77-F86 HydrophobicContact CD2-CD2 4.02Å; W77-F86 HydrophobicContact CE3-CB 4.3Å; W77-F86 HydrophobicContact CE3-CD2 4.27Å; W77-F86 AromaticContact CG-CD2 3.91Å; W77-F86 HydrophobicContact CG-CD2 3.91Å; W77-F86 HydrophobicContact CH2-CB 4.4Å; W77-F86 HydrophobicContact CZ2-CB 4.23Å; W77-F86 HydrophobicContact CZ3-CB 4.45Å; F86-Y89 HydrophobicContact CD2-CD1 4.05Å; F86-Y89 HydrophobicContact CE2-CD1 4.03Å; F86-Y89 HydrophobicContact CE2-CE1 4.5Å; F86-Y89 WeakPolarHBondContact O-CB 3.39Å; F86-Y89 PolarHBondContact O-N 3.22Å; F86-L90 HydrophobicContact CD1-CD1 3.95Å; F86-L90 HydrophobicContact CD1-CG 4.21Å; F86-L90 HydrophobicContact CD2-CG 4.44Å; F86-L90 HydrophobicContact CE1-CD1 3.28Å; F86-L90 HydrophobicContact CE1-CD2 4.24Å; F86-L90 HydrophobicContact CE1-CG 3.69Å; F86-L90 HydrophobicContact CE2-CD1 4.43Å; F86-L90 HydrophobicContact CE2-CD2 3.98Å; F86-L90 HydrophobicContact CE2-CG 3.93Å; F86-L90 HydrophobicContact CZ-CD1 3.59Å; F86-L90 HydrophobicContact CZ-CD2 3.63Å; F86-L90 HydrophobicContact CZ-CG 3.56Å; F86-L90 WeakPolarHBondContact O-CG 3.15Å; F86-L90 PolarHBondContact O-N 3.47Å
87	E	90.1	Very high	89.3	Confident	88 Å²	88	76.1 Å²	76.1	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.3	-65.5	87.2	167.6	0	0	112.7	K60 S85 Y89 L90 G91	K60-E87 IonicContact NZ-OE1 2.8Å; K60-E87 PolarHBondContact NZ-OE1 3.22Å; S85-E87 PolarHBondContact O-N 3.41Å; S85-E87 PolarHBondContact OG-OE2 3.47Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-L90 PolarHBondContact O-N 3.29Å; E87-G91 PolarHBondContact O-N 3.33Å
88	Q	90.6	Very high	89.1	Confident	119 Å²	119	81.9 Å²	81.9	56%	0.556	43%	0.428	S	S	*	.	H	α-helix	trans	-66	-38.9	175.5	-73.2	175.8	-26.6	0	0	111.3	V84 S85 G91 S92	V84-Q88 HydrophobicContact CB-CB 4.39Å; S85-Q88 PolarHBondContact O-N 3.34Å; S85-Q88 WeakPolarHBondContact OG-CG 3.5Å; S85-Q88 PolarHBondContact OG-N 2.94Å; Q88-G91 PolarHBondContact O-N 2.87Å; Q88-S92 WeakPolarHBondContact O-CB 3.4Å; Q88-S92 PolarHBondContact O-N 3.48Å; Q88-S92 PolarHBondContact O-OG 2.92Å
89	Y	91.1	Very high	89.2	Confident	26 Å²	26	82.4 Å²	82.4	10%	0.102	43%	0.434	C	S	.	.	H	α-helix	trans	-61.1	-49.3	174.1	175	-104.6	0	0	0	111.7	M73 F76 W77 I82 S85 F86 E87 G91 S92 Q93	M73-Y89 HydrophobicContact CB-CE1 4.14Å; M73-Y89 HydrophobicContact CE-CE1 4.41Å; M73-Y89 WeakPolarHBondContact O-CE1 3.44Å; F76-Y89 VanDerWaalsContact CD1-OH 3.23Å; F76-Y89 WeakPolarHBondContact CD1-OH 3.38Å; W77-Y89 HydrophobicContact CB-CD1 3.94Å; W77-Y89 HydrophobicContact CB-CE1 4.03Å; W77-Y89 HydrophobicContact CB-CG 4.4Å; W77-Y89 AromaticContact CD1-CG 3.79Å; W77-Y89 HydrophobicContact CG-CD1 4.28Å; W77-Y89 HydrophobicContact CG-CG 4.39Å; I82-Y89 HydrophobicContact CD1-CD2 4.43Å; I82-Y89 HydrophobicContact CD1-CE2 4.49Å; S85-Y89 PolarHBondContact O-N 2.91Å; F86-Y89 HydrophobicContact CD2-CD1 4.05Å; F86-Y89 HydrophobicContact CE2-CD1 4.03Å; F86-Y89 HydrophobicContact CE2-CE1 4.5Å; F86-Y89 WeakPolarHBondContact O-CB 3.39Å; F86-Y89 PolarHBondContact O-N 3.22Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 3.35Å; Y89-S92 PolarHBondContact O-N 2.97Å; Y89-Q93 HydrophobicContact CE1-CG 4.37Å; Y89-Q93 HydrophobicContact CE2-CG 4.34Å; Y89-Q93 WeakPolarHBondContact O-CG 3.47Å; Y89-Q93 PolarHBondContact O-N 3.4Å; Y89-Q93 VanDerWaalsContact O-N 3.1Å
90	L	91.5	Very high	89.2	Confident	30 Å²	30	76.4 Å²	76.4	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175.8	-75	-175.1	0	0	0	112.7	L70 M73 F86 E87 S92 Q93 K94	L70-L90 HydrophobicContact CD2-CD1 4.24Å; L70-L90 HydrophobicContact CD2-CD2 3.84Å; M73-L90 HydrophobicContact CB-CD2 4.32Å; M73-L90 HydrophobicContact CE-CD2 3.75Å; M73-L90 HydrophobicContact SD-CD2 3.83Å; F86-L90 HydrophobicContact CD1-CD1 3.95Å; F86-L90 HydrophobicContact CD1-CG 4.21Å; F86-L90 HydrophobicContact CD2-CG 4.44Å; F86-L90 HydrophobicContact CE1-CD1 3.28Å; F86-L90 HydrophobicContact CE1-CD2 4.24Å; F86-L90 HydrophobicContact CE1-CG 3.69Å; F86-L90 HydrophobicContact CE2-CD1 4.43Å; F86-L90 HydrophobicContact CE2-CD2 3.98Å; F86-L90 HydrophobicContact CE2-CG 3.93Å; F86-L90 HydrophobicContact CZ-CD1 3.59Å; F86-L90 HydrophobicContact CZ-CD2 3.63Å; F86-L90 HydrophobicContact CZ-CG 3.56Å; F86-L90 WeakPolarHBondContact O-CG 3.15Å; F86-L90 PolarHBondContact O-N 3.47Å; E87-L90 PolarHBondContact O-N 3.29Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.93Å; L90-Q93 PolarHBondContact O-N 3.17Å; L90-K94 PolarHBondContact O-N 3Å
91	G	91.3	Very high	89.3	Confident	29 Å²	29	79.8 Å²	79.8	30%	0.299	43%	0.428	S	S	.	.	H	α-helix	trans	-59.5	-41.7	176.3	0	0	0	0	0	111.8	E87 Q88 Y89 Q93 K94 N95	E87-G91 PolarHBondContact O-N 3.33Å; Q88-G91 PolarHBondContact O-N 2.87Å; Y89-G91 PolarHBondContact O-N 3.35Å; G91-Q93 VanDerWaalsContact C-N 3.33Å; G91-Q93 PolarHBondContact O-N 3.15Å; G91-K94 PolarHBondContact O-N 3.44Å; G91-N95 WeakPolarHBondContact O-CB 3.34Å; G91-N95 PolarHBondContact O-N 2.86Å; G91-N95 PolarHBondContact O-ND2 3.47Å; G91-N95 PolarHBondContact O-OD1 3.05Å
92	S	89.3	Confident	89.6	Confident	74 Å²	74	76.8 Å²	76.8	52%	0.517	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-36.2	177.7	-56	0	0	0	0	112.5	Q88 Y89 L90 F96	Q88-S92 WeakPolarHBondContact O-CB 3.4Å; Q88-S92 PolarHBondContact O-N 3.48Å; Q88-S92 PolarHBondContact O-OG 2.92Å; Y89-S92 PolarHBondContact O-N 2.97Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.93Å; S92-F96 PolarHBondContact O-N 3.23Å
93	Q	87.7	Confident	90	Very high	67 Å²	67	77.8 Å²	77.8	31%	0.313	42%	0.421	S	S	.	.	H	α-helix	trans	-69.3	-43	177.1	-68.2	-72	-18.4	0	0	111.9	M73 Y89 L90 G91 N95 F96 E97	M73-Q93 HydrophobicContact CE-CB 3.37Å; M73-Q93 HydrophobicContact CE-CG 3.38Å; Y89-Q93 HydrophobicContact CE1-CG 4.37Å; Y89-Q93 HydrophobicContact CE2-CG 4.34Å; Y89-Q93 WeakPolarHBondContact O-CG 3.47Å; Y89-Q93 PolarHBondContact O-N 3.4Å; Y89-Q93 VanDerWaalsContact O-N 3.1Å; L90-Q93 PolarHBondContact O-N 3.17Å; G91-Q93 VanDerWaalsContact C-N 3.33Å; G91-Q93 PolarHBondContact O-N 3.15Å; Q93-N95 VanDerWaalsContact C-N 3.35Å; Q93-N95 PolarHBondContact O-N 3.44Å; Q93-F96 WeakPolarHBondContact O-CB 3.49Å; Q93-F96 PolarHBondContact O-N 3.1Å; Q93-F96 VanDerWaalsContact O-N 3.15Å; Q93-E97 PolarHBondContact O-N 2.7Å
94	K	88.2	Confident	90.3	Very high	129 Å²	129	75.4 Å²	75.4	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-61	-43.5	172.9	-71	-177.4	178.3	-177	0	112.1	L90 G91 F96 E97 E98	L90-K94 PolarHBondContact O-N 3Å; G91-K94 PolarHBondContact O-N 3.44Å; K94-F96 PolarHBondContact O-N 2.9Å; K94-E97 PolarHBondContact O-N 3.13Å; K94-E97 VanDerWaalsContact O-N 3.17Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3.49Å
95	N	89.2	Confident	90.6	Very high	92 Å²	92	75.3 Å²	75.3	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-39.7	175.2	-66.8	-17.6	0	0	0	111.2	G91 Q93 E98 V99	G91-N95 WeakPolarHBondContact O-CB 3.34Å; G91-N95 PolarHBondContact O-N 2.86Å; G91-N95 PolarHBondContact O-ND2 3.47Å; G91-N95 PolarHBondContact O-OD1 3.05Å; Q93-N95 VanDerWaalsContact C-N 3.35Å; Q93-N95 PolarHBondContact O-N 3.44Å; N95-E98 PolarHBondContact O-N 2.97Å; N95-V99 WeakPolarHBondContact O-CB 3.28Å; N95-V99 WeakPolarHBondContact O-CG2 3.21Å; N95-V99 PolarHBondContact O-N 3.43Å
96	F	89.6	Confident	90.9	Very high	132 Å²	132	79 Å²	79	58%	0.579	42%	0.423	S	S	*	.	H	α-helix	trans	-64	-44.7	176	-172.1	-97.3	0	0	0	111.8	S92 Q93 K94 V99 C100	S92-F96 PolarHBondContact O-N 3.23Å; Q93-F96 WeakPolarHBondContact O-CB 3.49Å; Q93-F96 PolarHBondContact O-N 3.1Å; Q93-F96 VanDerWaalsContact O-N 3.15Å; K94-F96 PolarHBondContact O-N 2.9Å; F96-V99 PolarHBondContact O-N 2.9Å; F96-C100 WeakPolarHBondContact CE1-SG 3.49Å; F96-C100 WeakPolarHBondContact O-CB 3.33Å; F96-C100 PolarHBondContact O-N 2.71Å; F96-C100 PolarHBondContact O-SG 3.02Å; F96-C100 VanDerWaalsContact O-SG 3.33Å
97	E	88.1	Confident	91.1	Very high	112 Å²	112	85.5 Å²	85.5	52%	0.523	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-46.5	175.2	-70.3	-178	166.6	0	0	111.9	Q93 K94 V99 C100 I101	Q93-E97 PolarHBondContact O-N 2.7Å; K94-E97 PolarHBondContact O-N 3.13Å; K94-E97 VanDerWaalsContact O-N 3.17Å; E97-V99 PolarHBondContact O-N 3.23Å; E97-C100 PolarHBondContact O-N 2.98Å; E97-I101 VanDerWaalsContact O-CG1 3.25Å; E97-I101 WeakPolarHBondContact O-CG1 3.32Å; E97-I101 PolarHBondContact O-N 2.75Å
98	E	88.7	Confident	91.2	Very high	132 Å²	132	85.1 Å²	85.1	62%	0.617	46%	0.458	S	S	*	.	H	α-helix	trans	-61.8	-42.8	177	-72.2	-178.8	-175.6	0	0	112.2	K94 N95 I101 S102	K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3.49Å; N95-E98 PolarHBondContact O-N 2.97Å; E98-I101 PolarHBondContact O-N 3.41Å; E98-S102 PolarHBondContact O-N 2.89Å
99	V	92	Very high	91.5	Very high	74 Å²	74	83.6 Å²	83.6	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-45.9	175.8	169.3	0	0	0	0	110.4	N95 F96 E97 I101 S102 I103	N95-V99 WeakPolarHBondContact O-CB 3.28Å; N95-V99 WeakPolarHBondContact O-CG2 3.21Å; N95-V99 PolarHBondContact O-N 3.43Å; F96-V99 PolarHBondContact O-N 2.9Å; E97-V99 PolarHBondContact O-N 3.23Å; V99-I101 PolarHBondContact O-N 3.44Å; V99-S102 PolarHBondContact O-N 3.41Å; V99-S102 PolarHBondContact O-OG 3.48Å; V99-I103 HydrophobicContact CG1-CD1 3.68Å; V99-I103 HydrophobicContact CG1-CG1 4.36Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.23Å
100	C	91.1	Very high	91.7	Very high	55 Å²	55	85.6 Å²	85.6	37%	0.372	47%	0.474	S	S	.	.	H	α-helix	trans	-60.8	-43.4	177.1	-75.2	0	0	0	0	112.5	F96 E97 S102 I103 S104	F96-C100 WeakPolarHBondContact CE1-SG 3.49Å; F96-C100 WeakPolarHBondContact O-CB 3.33Å; F96-C100 PolarHBondContact O-N 2.71Å; F96-C100 PolarHBondContact O-SG 3.02Å; F96-C100 VanDerWaalsContact O-SG 3.33Å; E97-C100 PolarHBondContact O-N 2.98Å; C100-S102 VanDerWaalsContact C-N 3.34Å; C100-I103 PolarHBondContact O-N 3.18Å; C100-S104 WeakPolarHBondContact O-CB 3.31Å; C100-S104 PolarHBondContact O-N 3.36Å; C100-S104 PolarHBondContact O-OG 2.96Å
101	I	91.7	Very high	91.9	Very high	115 Å²	115	88 Å²	88	59%	0.59	49%	0.49	S	S	*	.	H	α-helix	trans	-60.1	-47.2	175.6	-67.9	167.9	0	0	0	109.7	E97 E98 V99 I103 S104 A105	E97-I101 VanDerWaalsContact O-CG1 3.25Å; E97-I101 WeakPolarHBondContact O-CG1 3.32Å; E97-I101 PolarHBondContact O-N 2.75Å; E98-I101 PolarHBondContact O-N 3.41Å; V99-I101 PolarHBondContact O-N 3.44Å; I101-I103 PolarHBondContact O-N 3.44Å; I101-S104 PolarHBondContact O-N 2.98Å; I101-S104 PolarHBondContact O-OG 3.41Å; I101-A105 PolarHBondContact O-N 3.31Å
102	S	92.1	Very high	92	Very high	57 Å²	57	88.2 Å²	88.2	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-61.1	-44.1	179	75.3	0	0	0	0	112.5	E98 V99 C100 S104 A105 M106	E98-S102 PolarHBondContact O-N 2.89Å; V99-S102 PolarHBondContact O-N 3.41Å; V99-S102 PolarHBondContact O-OG 3.48Å; C100-S102 VanDerWaalsContact C-N 3.34Å; S102-S104 PolarHBondContact O-N 2.91Å; S102-A105 PolarHBondContact O-N 2.98Å; S102-M106 WeakPolarHBondContact O-CG 3.43Å; S102-M106 PolarHBondContact O-N 2.93Å
103	I	93.1	Very high	92.4	Very high	78 Å²	78	89 Å²	89	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-45.4	177.4	-69.7	169.5	0	0	0	110.3	V99 C100 I101 A105 M106 F107	V99-I103 HydrophobicContact CG1-CD1 3.68Å; V99-I103 HydrophobicContact CG1-CG1 4.36Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.23Å; C100-I103 PolarHBondContact O-N 3.18Å; I101-I103 PolarHBondContact O-N 3.44Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 3.02Å; I103-M106 WeakPolarHBondContact O-CB 3.44Å; I103-M106 PolarHBondContact O-N 3.44Å; I103-F107 HydrophobicContact CG2-CD2 3.69Å; I103-F107 HydrophobicContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact CG2-CE2 3.48Å; I103-F107 WeakPolarHBondContact O-CD2 3.23Å; I103-F107 PolarHBondContact O-N 3.45Å
104	S	92.9	Very high	92.7	Very high	69 Å²	69	90.6 Å²	90.6	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-39.1	178.9	76.8	0	0	0	0	112.4	C100 I101 S102 F107 S108	C100-S104 WeakPolarHBondContact O-CB 3.31Å; C100-S104 PolarHBondContact O-N 3.36Å; C100-S104 PolarHBondContact O-OG 2.96Å; I101-S104 PolarHBondContact O-N 2.98Å; I101-S104 PolarHBondContact O-OG 3.41Å; S102-S104 PolarHBondContact O-N 2.91Å; S104-F107 PolarHBondContact O-N 2.91Å; S104-S108 PolarHBondContact O-N 3.19Å
105	A	94.1	Very high	93	Very high	49 Å²	49	90.2 Å²	90.2	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-42.5	175	0	0	0	0	0	111.3	I101 S102 I103 F107 S108 V109	I101-A105 PolarHBondContact O-N 3.31Å; S102-A105 PolarHBondContact O-N 2.98Å; I103-A105 VanDerWaalsContact C-N 3.32Å; I103-A105 PolarHBondContact O-N 3.02Å; A105-F107 VanDerWaalsContact C-N 3.34Å; A105-F107 PolarHBondContact O-N 3.48Å; A105-S108 PolarHBondContact O-N 3.27Å; A105-V109 WeakPolarHBondContact O-CG2 3.15Å; A105-V109 PolarHBondContact O-N 3.33Å
106	M	95.1	Very high	93.3	Very high	126 Å²	126	91 Å²	91	62%	0.621	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-42.6	175.1	-69.1	-176.7	85	0	0	111.8	S102 I103 S108 V109 C110	S102-M106 WeakPolarHBondContact O-CG 3.43Å; S102-M106 PolarHBondContact O-N 2.93Å; I103-M106 WeakPolarHBondContact O-CB 3.44Å; I103-M106 PolarHBondContact O-N 3.44Å; M106-S108 PolarHBondContact O-N 3.38Å; M106-V109 PolarHBondContact O-N 2.98Å; M106-C110 VanDerWaalsContact O-CB 3.28Å; M106-C110 WeakPolarHBondContact O-CB 3.32Å; M106-C110 PolarHBondContact O-N 2.86Å; M106-C110 PolarHBondContact O-SG 2.92Å
107	F	95.9	Very high	93.6	Very high	142 Å²	142	89.5 Å²	89.5	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-62	-41.4	174.4	-82.7	-71.2	0	0	0	112.5	I103 S104 A105 T111	I103-F107 HydrophobicContact CG2-CD2 3.69Å; I103-F107 HydrophobicContact CG2-CE2 3.48Å; I103-F107 VanDerWaalsContact CG2-CE2 3.48Å; I103-F107 WeakPolarHBondContact O-CD2 3.23Å; I103-F107 PolarHBondContact O-N 3.45Å; S104-F107 PolarHBondContact O-N 2.91Å; A105-F107 VanDerWaalsContact C-N 3.34Å; A105-F107 PolarHBondContact O-N 3.48Å; F107-T111 WeakPolarHBondContact O-CB 3.33Å; F107-T111 VanDerWaalsContact O-CG2 3.29Å; F107-T111 WeakPolarHBondContact O-CG2 3.44Å; F107-T111 PolarHBondContact O-N 3.26Å; F107-T111 PolarHBondContact O-OG1 2.97Å
108	S	92.7	Very high	93.9	Very high	80 Å²	80	91.6 Å²	91.6	56%	0.559	51%	0.509	S	S	*	.	H	α-helix	trans	-63.6	-44.8	177.1	-179	0	0	0	0	112	S104 A105 M106 T111 G112	S104-S108 PolarHBondContact O-N 3.19Å; A105-S108 PolarHBondContact O-N 3.27Å; M106-S108 PolarHBondContact O-N 3.38Å; S108-T111 PolarHBondContact O-N 3.44Å; S108-T111 PolarHBondContact O-OG1 3.44Å; S108-G112 PolarHBondContact O-N 3.23Å
109	V	95.8	Very high	94.2	Very high	88 Å²	88	90.8 Å²	90.8	53%	0.533	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-46.7	177.4	173.7	0	0	0	0	110.9	A105 M106 T111 G112 I113	A105-V109 WeakPolarHBondContact O-CG2 3.15Å; A105-V109 PolarHBondContact O-N 3.33Å; M106-V109 PolarHBondContact O-N 2.98Å; V109-T111 PolarHBondContact O-N 2.78Å; V109-G112 PolarHBondContact O-N 3.13Å; V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.41Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 3.25Å
110	C	95.8	Very high	94.3	Very high	68 Å²	68	92.5 Å²	92.5	46%	0.459	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-43.3	178.9	-74.3	0	0	0	0	112.1	M106 I113 L114	M106-C110 VanDerWaalsContact O-CB 3.28Å; M106-C110 WeakPolarHBondContact O-CB 3.32Å; M106-C110 PolarHBondContact O-N 2.86Å; M106-C110 PolarHBondContact O-SG 2.92Å; C110-I113 PolarHBondContact O-N 3.01Å; C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 VanDerWaalsContact O-CG 3.27Å; C110-L114 WeakPolarHBondContact O-CG 3.45Å; C110-L114 PolarHBondContact O-N 3.27Å
111	T	94.7	Very high	94.5	Very high	80 Å²	80	91.5 Å²	91.5	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-38.4	176.7	52	0	0	0	0	111.8	F107 S108 V109 L114 M115	F107-T111 WeakPolarHBondContact O-CB 3.33Å; F107-T111 VanDerWaalsContact O-CG2 3.29Å; F107-T111 WeakPolarHBondContact O-CG2 3.44Å; F107-T111 PolarHBondContact O-N 3.26Å; F107-T111 PolarHBondContact O-OG1 2.97Å; S108-T111 PolarHBondContact O-N 3.44Å; S108-T111 PolarHBondContact O-OG1 3.44Å; V109-T111 PolarHBondContact O-N 2.78Å; T111-L114 PolarHBondContact O-N 2.92Å; T111-M115 WeakPolarHBondContact O-CB 3.47Å; T111-M115 WeakPolarHBondContact O-CG 3.27Å; T111-M115 PolarHBondContact O-N 3.4Å
112	G	94.9	Very high	94.6	Very high	33 Å²	33	90.1 Å²	90.1	34%	0.34	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-47.3	172	0	0	0	0	0	113	S108 V109 L114 M115 L116	S108-G112 PolarHBondContact O-N 3.23Å; V109-G112 PolarHBondContact O-N 3.13Å; G112-L114 PolarHBondContact O-N 3.5Å; G112-M115 PolarHBondContact O-N 2.96Å; G112-L116 WeakPolarHBondContact O-CG 3.29Å; G112-L116 PolarHBondContact O-N 3.4Å
113	I	96.2	Very high	94.8	Very high	90 Å²	90	95 Å²	95	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-45.3	177	-66.6	166.8	0	0	0	110.7	V109 C110 M115 L116 I117	V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.41Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 3.25Å; C110-I113 PolarHBondContact O-N 3.01Å; I113-M115 VanDerWaalsContact C-N 3.32Å; I113-M115 PolarHBondContact O-N 3.41Å; I113-L116 PolarHBondContact O-N 2.97Å; I113-I117 HydrophobicContact CG2-CD1 3.92Å; I113-I117 WeakPolarHBondContact O-CG1 3.41Å; I113-I117 PolarHBondContact O-N 2.94Å
114	L	95.1	Very high	94.9	Very high	102 Å²	102	96 Å²	96	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-37.4	177.3	-71.2	172.9	0	0	0	112.5	C110 T111 G112 I117 K118	C110-L114 WeakPolarHBondContact O-CB 3.31Å; C110-L114 VanDerWaalsContact O-CG 3.27Å; C110-L114 WeakPolarHBondContact O-CG 3.45Å; C110-L114 PolarHBondContact O-N 3.27Å; T111-L114 PolarHBondContact O-N 2.92Å; G112-L114 PolarHBondContact O-N 3.5Å; L114-I117 PolarHBondContact O-N 3.21Å; L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.48Å
115	M	94.8	Very high	94.9	Very high	121 Å²	121	96.7 Å²	96.7	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-42.8	174.7	-72.8	-74.3	-89.8	0	0	111.3	T111 G112 I113 K118 L119	T111-M115 WeakPolarHBondContact O-CB 3.47Å; T111-M115 WeakPolarHBondContact O-CG 3.27Å; T111-M115 PolarHBondContact O-N 3.4Å; G112-M115 PolarHBondContact O-N 2.96Å; I113-M115 VanDerWaalsContact C-N 3.32Å; I113-M115 PolarHBondContact O-N 3.41Å; M115-K118 PolarHBondContact O-N 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.46Å; M115-L119 PolarHBondContact O-N 2.91Å
116	L	94.9	Very high	94.8	Very high	107 Å²	107	99 Å²	99	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-42.5	175.2	-69.7	173.6	0	0	0	112.2	G112 I113 K118 L119 L120	G112-L116 WeakPolarHBondContact O-CG 3.29Å; G112-L116 PolarHBondContact O-N 3.4Å; I113-L116 PolarHBondContact O-N 2.97Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.94Å; L116-L119 PolarHBondContact O-N 2.86Å; L116-L120 WeakPolarHBondContact O-CB 3.33Å; L116-L120 WeakPolarHBondContact O-CG 3.18Å; L116-L120 PolarHBondContact O-N 3.49Å
117	I	96	Very high	94.7	Very high	102 Å²	102	96.7 Å²	96.7	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-43.7	175.8	-67.4	165.8	0	0	0	110.6	I113 L114 L120 G121	I113-I117 HydrophobicContact CG2-CD1 3.92Å; I113-I117 WeakPolarHBondContact O-CG1 3.41Å; I113-I117 PolarHBondContact O-N 2.94Å; L114-I117 PolarHBondContact O-N 3.21Å; I117-L120 PolarHBondContact O-N 3.5Å; I117-G121 PolarHBondContact O-N 2.86Å
118	K	93.5	Very high	94.6	Very high	156 Å²	156	92.9 Å²	92.9	68%	0.678	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-41.2	176.5	-73.9	-177.9	178.9	-177	0	112.5	L114 M115 L116 G121 C122	L114-K118 WeakPolarHBondContact O-CG 3.44Å; L114-K118 PolarHBondContact O-N 3.48Å; M115-K118 PolarHBondContact O-N 3.3Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.94Å; K118-G121 PolarHBondContact O-N 3.33Å; K118-C122 WeakPolarHBondContact O-CB 3.48Å; K118-C122 PolarHBondContact O-N 3.33Å
119	L	94.8	Very high	94.6	Very high	114 Å²	114	93.6 Å²	93.6	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-42.9	176.5	-72.1	172.8	0	0	0	111.8	M115 L116 C122 W123	M115-L119 WeakPolarHBondContact O-CG 3.46Å; M115-L119 PolarHBondContact O-N 2.91Å; L116-L119 PolarHBondContact O-N 2.86Å; L119-C122 PolarHBondContact O-N 3.3Å; L119-W123 WeakPolarHBondContact O-CB 3.44Å; L119-W123 PolarHBondContact O-N 2.93Å
120	L	95.6	Very high	94.4	Very high	110 Å²	110	95.1 Å²	95.1	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-61.8	-44.1	174.2	-73.4	171.6	0	0	0	111.4	L116 I117 C122 W123 I124	L116-L120 WeakPolarHBondContact O-CB 3.33Å; L116-L120 WeakPolarHBondContact O-CG 3.18Å; L116-L120 PolarHBondContact O-N 3.49Å; I117-L120 PolarHBondContact O-N 3.5Å; L120-C122 PolarHBondContact O-N 3.31Å; L120-W123 PolarHBondContact O-N 3.14Å; L120-I124 WeakPolarHBondContact O-CD1 3.32Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.38Å
121	G	94.6	Very high	94.2	Very high	35 Å²	35	99.5 Å²	99.5	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-59	-46.3	174.7	0	0	0	0	0	112.5	I117 K118 I124 V125	I117-G121 PolarHBondContact O-N 2.86Å; K118-G121 PolarHBondContact O-N 3.33Å; G121-I124 PolarHBondContact O-N 2.93Å; G121-V125 WeakPolarHBondContact O-CG2 3.4Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.14Å
122	C	94.9	Very high	93.9	Very high	86 Å²	86	99.7 Å²	99.7	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-62.4	-43.4	176.4	-173.3	0	0	0	0	112	K118 L119 L120 I124 V125 L126	K118-C122 WeakPolarHBondContact O-CB 3.48Å; K118-C122 PolarHBondContact O-N 3.33Å; L119-C122 PolarHBondContact O-N 3.3Å; L120-C122 PolarHBondContact O-N 3.31Å; C122-I124 PolarHBondContact O-N 2.98Å; C122-V125 PolarHBondContact O-N 3.38Å; C122-L126 PolarHBondContact O-N 3.27Å
123	W	94.6	Very high	93.6	Very high	159 Å²	159	103.1 Å²	103.1	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-60.7	-43.9	176.7	179.9	-81.4	0	0	0	112.3	L119 L120 V125 L126 Q127	L119-W123 WeakPolarHBondContact O-CB 3.44Å; L119-W123 PolarHBondContact O-N 2.93Å; L120-W123 PolarHBondContact O-N 3.14Å; W123-V125 PolarHBondContact O-N 3.48Å; W123-L126 PolarHBondContact O-N 2.94Å; W123-Q127 VanDerWaalsContact NE1-CD 3.27Å; W123-Q127 WeakPolarHBondContact O-CG 3.48Å; W123-Q127 PolarHBondContact O-N 2.97Å
124	I	95.1	Very high	93.2	Very high	100 Å²	100	107.8 Å²	107.8	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-61.6	-45.1	177.8	-68.9	162.3	0	0	0	110.6	L120 G121 C122 Q127 T128	L120-I124 WeakPolarHBondContact O-CD1 3.32Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.38Å; G121-I124 PolarHBondContact O-N 2.93Å; C122-I124 PolarHBondContact O-N 2.98Å; I124-Q127 PolarHBondContact O-N 3.08Å; I124-T128 WeakPolarHBondContact O-CG2 3.23Å; I124-T128 PolarHBondContact O-N 3.44Å; I124-T128 PolarHBondContact O-OG1 2.91Å
125	V	94	Very high	92.8	Very high	83 Å²	83	111.5 Å²	111.5	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-41	177	174.6	0	0	0	0	111.4	G121 C122 W123 Q127 T128 L129	G121-V125 WeakPolarHBondContact O-CG2 3.4Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.14Å; C122-V125 PolarHBondContact O-N 3.38Å; W123-V125 PolarHBondContact O-N 3.48Å; V125-Q127 VanDerWaalsContact C-N 3.35Å; V125-Q127 PolarHBondContact O-N 3.39Å; V125-T128 WeakPolarHBondContact CA-OG1 3.43Å; V125-T128 PolarHBondContact O-N 3.41Å; V125-T128 PolarHBondContact O-OG1 3.04Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 HydrophobicContact CG1-CG 4.47Å; V125-L129 WeakPolarHBondContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.23Å
126	L	92.6	Very high	92.3	Very high	98 Å²	98	112.2 Å²	112.2	51%	0.513	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-42	176.3	-173.6	64.4	0	0	0	111.4	C122 W123 L129 M130	C122-L126 PolarHBondContact O-N 3.27Å; W123-L126 PolarHBondContact O-N 2.94Å; L126-L129 PolarHBondContact O-N 3.05Å; L126-M130 WeakPolarHBondContact O-CG 3.34Å; L126-M130 PolarHBondContact O-N 2.88Å
127	Q	92.4	Very high	91.9	Very high	77 Å²	77	111.4 Å²	111.4	36%	0.36	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-35.6	177.1	-77.3	-159.8	-16.3	0	0	113.4	W123 I124 V125 R131	W123-Q127 VanDerWaalsContact NE1-CD 3.27Å; W123-Q127 WeakPolarHBondContact O-CG 3.48Å; W123-Q127 PolarHBondContact O-N 2.97Å; I124-Q127 PolarHBondContact O-N 3.08Å; V125-Q127 VanDerWaalsContact C-N 3.35Å; V125-Q127 PolarHBondContact O-N 3.39Å; Q127-R131 WeakPolarHBondContact O-CB 3.42Å; Q127-R131 WeakPolarHBondContact O-CG 3.47Å; Q127-R131 PolarHBondContact O-N 3.31Å; Q127-R131 VanDerWaalsContact O-N 3.12Å; Q127-R131 PolarHBondContact O-NE 2.9Å
128	T	92.8	Very high	91.1	Very high	62 Å²	62	108.7 Å²	108.7	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-40.1	175.7	54.8	0	0	0	0	111.1	I124 V125 R131 V132	I124-T128 WeakPolarHBondContact O-CG2 3.23Å; I124-T128 PolarHBondContact O-N 3.44Å; I124-T128 PolarHBondContact O-OG1 2.91Å; V125-T128 WeakPolarHBondContact CA-OG1 3.43Å; V125-T128 PolarHBondContact O-N 3.41Å; V125-T128 PolarHBondContact O-OG1 3.04Å; T128-R131 PolarHBondContact O-N 3.12Å; T128-V132 VanDerWaalsContact O-CG2 3.31Å; T128-V132 WeakPolarHBondContact O-CG2 3.36Å; T128-V132 PolarHBondContact O-N 2.84Å
129	L	92.9	Very high	90.3	Very high	95 Å²	95	106 Å²	106	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-46.8	173.8	-72.9	173.6	0	0	0	111.9	V125 L126 R131 V132 L133	V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 HydrophobicContact CG1-CG 4.47Å; V125-L129 WeakPolarHBondContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.23Å; L126-L129 PolarHBondContact O-N 3.05Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.44Å; L129-V132 PolarHBondContact O-N 3.4Å; L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.9Å
130	M	91.7	Very high	89.5	Confident	119 Å²	119	105.5 Å²	105.5	59%	0.586	52%	0.524	S	S	*	.	H	α-helix	trans	-59.4	-41.5	175.9	-72.2	-138.7	-63	0	0	111.9	L126 L133 W134	L126-M130 WeakPolarHBondContact O-CG 3.34Å; L126-M130 PolarHBondContact O-N 2.88Å; M130-L133 PolarHBondContact O-N 3.38Å; M130-W134 VanDerWaalsContact O-CB 3.32Å; M130-W134 WeakPolarHBondContact O-CB 3.45Å; M130-W134 PolarHBondContact O-N 3.19Å
131	R	91	Very high	88.5	Confident	161 Å²	161	103.2 Å²	103.2	61%	0.608	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-40.8	175.5	-80	-175	-88	-171	-7.7	112.8	Q127 T128 L129 R135	Q127-R131 WeakPolarHBondContact O-CB 3.42Å; Q127-R131 WeakPolarHBondContact O-CG 3.47Å; Q127-R131 PolarHBondContact O-N 3.31Å; Q127-R131 VanDerWaalsContact O-N 3.12Å; Q127-R131 PolarHBondContact O-NE 2.9Å; T128-R131 PolarHBondContact O-N 3.12Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.44Å; R131-R135 WeakPolarHBondContact O-CB 3.47Å; R131-R135 PolarHBondContact O-N 3.48Å
132	V	89.5	Confident	87.7	Confident	83 Å²	83	109.8 Å²	109.8	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-67.8	-42.4	177	172.1	0	0	0	0	111.3	T128 L129 R135 K136	T128-V132 VanDerWaalsContact O-CG2 3.31Å; T128-V132 WeakPolarHBondContact O-CG2 3.36Å; T128-V132 PolarHBondContact O-N 2.84Å; L129-V132 PolarHBondContact O-N 3.4Å; V132-R135 PolarHBondContact O-N 2.94Å; V132-K136 PolarHBondContact O-N 2.91Å
133	L	89.3	Confident	86.7	Confident	105 Å²	105	112.9 Å²	112.9	55%	0.55	55%	0.546	S	S	.	.	H	α-helix	trans	-62.7	-46.8	176	-71	174.1	0	0	0	110.9	L129 M130 R135 K136 T137	L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.9Å; M130-L133 PolarHBondContact O-N 3.38Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.99Å; L133-K136 PolarHBondContact O-N 3.37Å; L133-K136 VanDerWaalsContact O-N 3.12Å; L133-T137 PolarHBondContact O-N 2.8Å; L133-T137 PolarHBondContact O-OG1 3.37Å; L133-T137 VanDerWaalsContact O-OG1 3.07Å
134	W	86.1	Confident	85.9	Confident	188 Å²	188	110.7 Å²	110.7	71%	0.712	55%	0.55	S	S	*	*	H	α-helix	trans	-59.1	-44.2	177.4	-162	72.3	0	0	0	111.5	M130 K136 T137 T138	M130-W134 VanDerWaalsContact O-CB 3.32Å; M130-W134 WeakPolarHBondContact O-CB 3.45Å; M130-W134 PolarHBondContact O-N 3.19Å; W134-K136 VanDerWaalsContact C-N 3.33Å; W134-K136 PolarHBondContact O-N 3.41Å; W134-T137 PolarHBondContact O-N 2.94Å; W134-T138 HydrophobicContact CD2-CG2 4.14Å; W134-T138 HydrophobicContact CE3-CG2 4.27Å; W134-T138 HydrophobicContact CH2-CG2 4.36Å; W134-T138 HydrophobicContact CZ2-CG2 4.22Å; W134-T138 HydrophobicContact CZ3-CG2 4.38Å; W134-T138 WeakPolarHBondContact O-CG2 3.32Å; W134-T138 PolarHBondContact O-N 3.32Å; W134-T138 PolarHBondContact O-OG1 3.16Å; W134-T138 VanDerWaalsContact O-OG1 3.08Å
135	R	87	Confident	84.7	Confident	181 Å²	181	117.9 Å²	117.9	68%	0.683	58%	0.578	S	S	*	*	H	α-helix	trans	-62	-37.8	176	-166.1	176.4	-176.5	-170.3	1.2	112.7	R131 V132 L133 T138 L139	R131-R135 WeakPolarHBondContact O-CB 3.47Å; R131-R135 PolarHBondContact O-N 3.48Å; V132-R135 PolarHBondContact O-N 2.94Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.99Å; R135-T138 WeakPolarHBondContact CA-OG1 3.36Å; R135-T138 PolarHBondContact O-OG1 3.07Å; R135-L139 HydrophobicContact CG-CD1 4.35Å; R135-L139 WeakPolarHBondContact O-CB 3.49Å; R135-L139 VanDerWaalsContact O-CG 3.24Å; R135-L139 WeakPolarHBondContact O-CG 3.44Å; R135-L139 PolarHBondContact O-N 3.31Å; R135-L139 VanDerWaalsContact O-N 3.11Å
136	K	85.6	Confident	84.2	Confident	135 Å²	135	119.7 Å²	119.7	59%	0.587	58%	0.582	S	S	*	*	H	α-helix	trans	-66.4	-45.6	174.4	-78.2	-172.6	175	-170.4	0	111.3	V132 L133 W134 L139 I140	V132-K136 PolarHBondContact O-N 2.91Å; L133-K136 PolarHBondContact O-N 3.37Å; L133-K136 VanDerWaalsContact O-N 3.12Å; W134-K136 VanDerWaalsContact C-N 3.33Å; W134-K136 PolarHBondContact O-N 3.41Å; K136-L139 PolarHBondContact O-N 3.31Å; K136-I140 WeakPolarHBondContact O-CD1 3.49Å; K136-I140 VanDerWaalsContact O-CG1 3.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.31Å; K136-I140 PolarHBondContact O-N 3.02Å
137	T	85.1	Confident	83.8	Confident	91 Å²	91	120.8 Å²	120.8	56%	0.558	59%	0.586	S	S	*	*	H	α-helix	trans	-63.6	-42.3	178.9	-51.3	0	0	0	0	111.9	L133 W134 L139 I140 S141	L133-T137 PolarHBondContact O-N 2.8Å; L133-T137 PolarHBondContact O-OG1 3.37Å; L133-T137 VanDerWaalsContact O-OG1 3.07Å; W134-T137 PolarHBondContact O-N 2.94Å; T137-L139 PolarHBondContact O-N 3.22Å; T137-I140 PolarHBondContact O-N 3.32Å; T137-S141 PolarHBondContact O-N 3.02Å; T137-S141 PolarHBondContact O-OG 3.32Å
138	T	80.8	Confident	83.3	Confident	45 Å²	45	123.2 Å²	123.2	28%	0.276	60%	0.598	S	S	.	*	H	α-helix	trans	-66.2	-34.9	176.7	52.4	0	0	0	0	113	W134 R135 S141 F142	W134-T138 HydrophobicContact CD2-CG2 4.14Å; W134-T138 HydrophobicContact CE3-CG2 4.27Å; W134-T138 HydrophobicContact CH2-CG2 4.36Å; W134-T138 HydrophobicContact CZ2-CG2 4.22Å; W134-T138 HydrophobicContact CZ3-CG2 4.38Å; W134-T138 WeakPolarHBondContact O-CG2 3.32Å; W134-T138 PolarHBondContact O-N 3.32Å; W134-T138 PolarHBondContact O-OG1 3.16Å; W134-T138 VanDerWaalsContact O-OG1 3.08Å; R135-T138 WeakPolarHBondContact CA-OG1 3.36Å; R135-T138 PolarHBondContact O-OG1 3.07Å; T138-S141 WeakPolarHBondContact CA-OG 3.24Å; T138-S141 PolarHBondContact O-OG 3.11Å; T138-F142 WeakPolarHBondContact O-CD2 3.44Å; T138-F142 PolarHBondContact O-N 2.91Å
139	L	76.1	Confident	82.8	Confident	98 Å²	98	126.8 Å²	126.8	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-69.8	-38.7	175.5	-76.3	170.2	0	0	0	111.6	R135 K136 T137 F142 L143	R135-L139 HydrophobicContact CG-CD1 4.35Å; R135-L139 WeakPolarHBondContact O-CB 3.49Å; R135-L139 VanDerWaalsContact O-CG 3.24Å; R135-L139 WeakPolarHBondContact O-CG 3.44Å; R135-L139 PolarHBondContact O-N 3.31Å; R135-L139 VanDerWaalsContact O-N 3.11Å; K136-L139 PolarHBondContact O-N 3.31Å; T137-L139 PolarHBondContact O-N 3.22Å; L139-F142 PolarHBondContact O-N 3.12Å; L139-L143 PolarHBondContact O-N 3.19Å
140	I	78.6	Confident	82.1	Confident	105 Å²	105	128.8 Å²	128.8	54%	0.538	62%	0.618	S	S	.	*	H	α-helix	trans	-63.7	-43.4	175.5	-66.1	161.5	0	0	0	110.2	K136 T137 F142 L143 T144	K136-I140 WeakPolarHBondContact O-CD1 3.49Å; K136-I140 VanDerWaalsContact O-CG1 3.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.31Å; K136-I140 PolarHBondContact O-N 3.02Å; T137-I140 PolarHBondContact O-N 3.32Å; I140-F142 VanDerWaalsContact C-N 3.27Å; I140-F142 PolarHBondContact O-N 3.02Å; I140-L143 PolarHBondContact O-N 3.19Å; I140-L143 VanDerWaalsContact O-N 3.15Å; I140-T144 HydrophobicContact CG2-CG2 4.47Å; I140-T144 WeakPolarHBondContact O-CG2 3.48Å; I140-T144 PolarHBondContact O-N 3.18Å; I140-T144 PolarHBondContact O-OG1 3.15Å
141	S	74.4	Confident	81.5	Confident	62 Å²	62	129.5 Å²	129.5	43%	0.434	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-29.3	177.5	56.4	0	0	0	0	114	T137 T138 T144	T137-S141 PolarHBondContact O-N 3.02Å; T137-S141 PolarHBondContact O-OG 3.32Å; T138-S141 WeakPolarHBondContact CA-OG 3.24Å; T138-S141 PolarHBondContact O-OG 3.11Å; S141-T144 WeakPolarHBondContact CA-OG1 3.25Å; S141-T144 PolarHBondContact O-OG1 3.48Å
142	F	76.8	Confident	80.8	Confident	173 Å²	173	127.2 Å²	127.2	76%	0.759	62%	0.621	S	S	*	*	H	α-helix	trans	-77.4	-24	175.7	-102.6	-84.3	0	0	0	113.5	T138 L139 I140	T138-F142 WeakPolarHBondContact O-CD2 3.44Å; T138-F142 PolarHBondContact O-N 2.91Å; L139-F142 PolarHBondContact O-N 3.12Å; I140-F142 VanDerWaalsContact C-N 3.27Å; I140-F142 PolarHBondContact O-N 3.02Å
143	L	75.3	Confident	80.1	Confident	150 Å²	150	130.6 Å²	130.6	79%	0.785	63%	0.63	S	S	*	*	H	α-helix	trans	-86.7	-19.9	177.4	-79.1	158.3	0	0	0	112.8	L139 I140	L139-L143 PolarHBondContact O-N 3.19Å; I140-L143 PolarHBondContact O-N 3.19Å; I140-L143 VanDerWaalsContact O-N 3.15Å
144	T	77.4	Confident	79.4	Confident	114 Å²	114	132.8 Å²	132.8	70%	0.699	64%	0.637	S	S	*	*			trans	-89.9	-0.1	179.1	51.8	0	0	0	0	114.3	I140 S141	I140-T144 HydrophobicContact CG2-CG2 4.47Å; I140-T144 WeakPolarHBondContact O-CG2 3.48Å; I140-T144 PolarHBondContact O-N 3.18Å; I140-T144 PolarHBondContact O-OG1 3.15Å; S141-T144 WeakPolarHBondContact CA-OG1 3.25Å; S141-T144 PolarHBondContact O-OG1 3.48Å
145	F	69.3	Low	78.8	Confident	251 Å²	251	127.7 Å²	127.7	100%	1.101	63%	0.63	S	S	*	*			trans	-113.3	0	179.1	-142.6	-81.2	0	0	0	109.9

Retrieved 145 of 145 residues in 81.7 ms (Link to these results)

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