G4VFF6_SCHMA Loading...

Protein FMC1 homolog

AlphaFold DB , UniProt , Accession G4VFF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 105 aa.

						>G4VFF6_SCHMA|G4VFF6
MSSRIQLFRNILRELRHVRKNQRAPFDYSPVVQYVISEFRNNHLTDAQKCARENESVHLAETYLNYLQSLRKHSELVELYKTKEKTTEEAAKMVGLALPETNYHK
					

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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	47.2	Very low	84.2	Confident	240 Å²	240	81.8 Å²	81.8	100%	1.182	40%	0.396	S	S	*	.				0	125.2	0	-62.6	-167.6	-145.6	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.3Å
2	S	61.8	Low	85	Confident	51 Å²	51	78 Å²	78	36%	0.357	38%	0.379	S	S	.	.			trans	-60.9	132.7	171.6	-170.5	0	0	0	0	108	R4	S2-R4 PolarHBondContact O-N 3.12Å
3	S	83.8	Confident	85.8	Confident	61 Å²	61	83.8 Å²	83.8	43%	0.427	39%	0.394	S	S	.	.			trans	-57.8	136.3	177.4	170.8	0	0	0	0	109.4	M1 I5 Q6 L7	M1-S3 PolarHBondContact O-N 3.3Å; S3-I5 PolarHBondContact O-N 3.06Å; S3-I5 VanDerWaalsContact O-N 3.1Å; S3-I5 PolarHBondContact OG-N 2.96Å; S3-Q6 CarbonylContact O-C 3.57Å; S3-Q6 WeakPolarHBondContact O-CA 3.43Å; S3-Q6 VanDerWaalsContact O-CB 3.3Å; S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.32Å; S3-L7 PolarHBondContact O-N 2.76Å
4	R	83.9	Confident	86.4	Confident	85 Å²	85	78.4 Å²	78.4	32%	0.321	37%	0.369	S	S	.	.	H	α-helix	trans	-51.7	-36.3	175.2	-67.8	-168.9	-69.1	173.8	-3.7	111.8	S2 L7 F8 F39 N42 V57	S2-R4 PolarHBondContact O-N 3.12Å; R4-L7 PolarHBondContact O-N 2.99Å; R4-F8 WeakPolarHBondContact O-CB 3.45Å; R4-F8 PolarHBondContact O-N 2.94Å; R4-F39 WeakPolarHBondContact O-CE1 3.27Å; R4-N42 PolarHBondContact NH1-O 3.47Å; R4-V57 HydrophobicContact CG-CG2 4Å
5	I	88.4	Confident	86.8	Confident	98 Å²	98	74.5 Å²	74.5	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-39.4	176.3	-60.1	173.5	0	0	0	110.9	S3 R9	S3-I5 PolarHBondContact O-N 3.06Å; S3-I5 VanDerWaalsContact O-N 3.1Å; S3-I5 PolarHBondContact OG-N 2.96Å; I5-R9 WeakPolarHBondContact O-CB 3.21Å; I5-R9 VanDerWaalsContact O-CG 3.23Å; I5-R9 WeakPolarHBondContact O-CG 3.27Å; I5-R9 PolarHBondContact O-N 3.09Å
6	Q	91.6	Very high	87.1	Confident	102 Å²	102	80.9 Å²	80.9	48%	0.477	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-42.7	176	-175.9	176.5	-0.2	0	0	111.3	S3 R9 N10	S3-Q6 CarbonylContact O-C 3.57Å; S3-Q6 WeakPolarHBondContact O-CA 3.43Å; S3-Q6 VanDerWaalsContact O-CB 3.3Å; S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.32Å; Q6-R9 PolarHBondContact O-N 3.33Å; Q6-N10 WeakPolarHBondContact O-CB 3.31Å; Q6-N10 PolarHBondContact O-N 3.46Å; Q6-N10 PolarHBondContact O-ND2 2.88Å
7	L	92.1	Very high	87.3	Confident	3 Å²	3	79.9 Å²	79.9	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-50.3	173.4	177.8	57.7	0	0	0	111	S3 R4 R9 N10 I11 F39 V57 A60 E61 L64	S3-L7 PolarHBondContact O-N 2.76Å; R4-L7 PolarHBondContact O-N 2.99Å; L7-R9 PolarHBondContact O-N 3.43Å; L7-N10 PolarHBondContact O-N 2.9Å; L7-I11 HydrophobicContact CD1-CD1 4.08Å; L7-I11 HydrophobicContact CD1-CG1 4.39Å; L7-I11 HydrophobicContact CG-CD1 4.14Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.39Å; L7-F39 HydrophobicContact CD2-CZ 4.26Å; L7-F39 HydrophobicContact CG-CE1 4.46Å; L7-F39 HydrophobicContact CG-CZ 4.1Å; L7-V57 HydrophobicContact CD2-CG1 4.07Å; L7-A60 HydrophobicContact CD2-CB 3.69Å; L7-A60 HydrophobicContact CG-CB 4.22Å; L7-E61 HydrophobicContact CD1-CG 3.93Å; L7-E61 HydrophobicContact CD2-CG 3.78Å; L7-L64 HydrophobicContact CD1-CB 4.1Å; L7-L64 HydrophobicContact CD1-CD2 3.68Å
8	F	92.8	Very high	87.2	Confident	47 Å²	47	81.2 Å²	81.2	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-55.2	-50.6	174.9	176.3	-115.9	0	0	0	112.3	R4 N10 I11 L12 V35 I36 F39	R4-F8 WeakPolarHBondContact O-CB 3.45Å; R4-F8 PolarHBondContact O-N 2.94Å; F8-N10 VanDerWaalsContact C-N 3.29Å; F8-N10 PolarHBondContact O-N 3.31Å; F8-I11 PolarHBondContact O-N 2.81Å; F8-L12 HydrophobicContact CD1-CD1 4.24Å; F8-L12 HydrophobicContact CD2-CG 4.4Å; F8-L12 HydrophobicContact CE1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CG 4.43Å; F8-L12 HydrophobicContact CE2-CD1 3.97Å; F8-L12 HydrophobicContact CE2-CD2 4.19Å; F8-L12 HydrophobicContact CE2-CG 4.05Å; F8-L12 HydrophobicContact CZ-CD1 3.47Å; F8-L12 VanDerWaalsContact CZ-CD1 3.47Å; F8-L12 HydrophobicContact CZ-CD2 4.41Å; F8-L12 HydrophobicContact CZ-CG 4.08Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 3.39Å; F8-V35 HydrophobicContact CD2-CG1 4.12Å; F8-V35 HydrophobicContact CE2-CG1 4.06Å; F8-I36 HydrophobicContact CE2-CG1 4.11Å; F8-I36 HydrophobicContact CZ-CG1 3.91Å; F8-F39 HydrophobicContact CB-CD1 3.67Å; F8-F39 HydrophobicContact CB-CE1 3.66Å; F8-F39 HydrophobicContact CB-CG 4.11Å; F8-F39 HydrophobicContact CB-CZ 4.09Å; F8-F39 HydrophobicContact CD2-CB 3.92Å; F8-F39 HydrophobicContact CD2-CD1 4.07Å; F8-F39 AromaticContact CD2-CD2 3.64Å; F8-F39 HydrophobicContact CD2-CD2 3.64Å; F8-F39 HydrophobicContact CD2-CE2 4.12Å; F8-F39 AromaticContact CD2-CG 3.59Å; F8-F39 HydrophobicContact CD2-CG 3.59Å; F8-F39 HydrophobicContact CE2-CB 4.27Å; F8-F39 HydrophobicContact CE2-CD2 4.36Å; F8-F39 HydrophobicContact CE2-CG 4.36Å; F8-F39 HydrophobicContact CG-CB 4.49Å; F8-F39 HydrophobicContact CG-CD1 4.16Å; F8-F39 HydrophobicContact CG-CD2 4.49Å; F8-F39 HydrophobicContact CG-CG 4.12Å
9	R	93.7	Very high	87	Confident	170 Å²	170	78.5 Å²	78.5	64%	0.642	37%	0.367	S	S	*	.	H	α-helix	trans	-59.7	-39	178	-75.8	172.6	178.4	170.6	1.1	112.4	I5 Q6 L7 R13	I5-R9 WeakPolarHBondContact O-CB 3.21Å; I5-R9 VanDerWaalsContact O-CG 3.23Å; I5-R9 WeakPolarHBondContact O-CG 3.27Å; I5-R9 PolarHBondContact O-N 3.09Å; Q6-R9 PolarHBondContact O-N 3.33Å; L7-R9 PolarHBondContact O-N 3.43Å; R9-R13 WeakPolarHBondContact O-CB 3.5Å; R9-R13 PolarHBondContact O-N 3.03Å
10	N	95.9	Very high	86.5	Confident	35 Å²	35	82.3 Å²	82.3	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-68.5	-42.3	178.6	-72.4	-15.6	0	0	0	111.4	Q6 L7 F8 L12 R13 E14 L64	Q6-N10 WeakPolarHBondContact O-CB 3.31Å; Q6-N10 PolarHBondContact O-N 3.46Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; L7-N10 PolarHBondContact O-N 2.9Å; F8-N10 VanDerWaalsContact C-N 3.29Å; F8-N10 PolarHBondContact O-N 3.31Å; N10-L12 PolarHBondContact O-N 3.48Å; N10-R13 WeakPolarHBondContact O-CB 3.39Å; N10-R13 PolarHBondContact O-N 3.44Å; N10-E14 PolarHBondContact O-N 3.49Å; N10-L64 HydrophobicContact CB-CD1 3.82Å; N10-L64 HydrophobicContact CB-CD2 3.63Å; N10-L64 HydrophobicContact CB-CG 4.41Å
11	I	95.4	Very high	86	Confident	8 Å²	8	86.3 Å²	86.3	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.1	-68.2	167.5	0	0	0	110.3	L7 F8 R13 E14 L15 V35 F39 A60 L64 L67	L7-I11 HydrophobicContact CD1-CD1 4.08Å; L7-I11 HydrophobicContact CD1-CG1 4.39Å; L7-I11 HydrophobicContact CG-CD1 4.14Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.39Å; F8-I11 PolarHBondContact O-N 2.81Å; I11-R13 VanDerWaalsContact C-N 3.27Å; I11-R13 PolarHBondContact O-N 3.42Å; I11-E14 PolarHBondContact O-N 3.08Å; I11-E14 VanDerWaalsContact O-N 3.17Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.43Å; I11-V35 HydrophobicContact CG2-CG1 4.02Å; I11-V35 HydrophobicContact CG2-CG2 4.49Å; I11-F39 HydrophobicContact CD1-CE2 3.99Å; I11-F39 HydrophobicContact CD1-CZ 3.95Å; I11-A60 HydrophobicContact CD1-CB 3.87Å; I11-L64 HydrophobicContact CG1-CB 3.93Å; I11-L64 HydrophobicContact CG1-CD1 4.21Å; I11-L67 HydrophobicContact CG2-CD1 4.44Å
12	L	93.8	Very high	87.4	Confident	36 Å²	36	80.5 Å²	80.5	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-38	177	-68.1	-172.9	0	0	0	112.4	F8 N10 L15 R16 F26 V32	F8-L12 HydrophobicContact CD1-CD1 4.24Å; F8-L12 HydrophobicContact CD2-CG 4.4Å; F8-L12 HydrophobicContact CE1-CD1 3.61Å; F8-L12 HydrophobicContact CE1-CG 4.43Å; F8-L12 HydrophobicContact CE2-CD1 3.97Å; F8-L12 HydrophobicContact CE2-CD2 4.19Å; F8-L12 HydrophobicContact CE2-CG 4.05Å; F8-L12 HydrophobicContact CZ-CD1 3.47Å; F8-L12 VanDerWaalsContact CZ-CD1 3.47Å; F8-L12 HydrophobicContact CZ-CD2 4.41Å; F8-L12 HydrophobicContact CZ-CG 4.08Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 3.39Å; N10-L12 PolarHBondContact O-N 3.48Å; L12-L15 HydrophobicContact CD2-CD1 4.45Å; L12-L15 PolarHBondContact O-N 3.18Å; L12-R16 PolarHBondContact O-N 3.38Å; L12-F26 HydrophobicContact CB-CZ 4.37Å; L12-F26 HydrophobicContact CD2-CE1 4.17Å; L12-F26 HydrophobicContact CD2-CZ 4.15Å; L12-V32 HydrophobicContact CD2-CG1 4.14Å
13	R	94.5	Very high	88.2	Confident	154 Å²	154	90.4 Å²	90.4	58%	0.581	41%	0.406	S	S	*	.	H	α-helix	trans	-60.8	-48.5	174.6	-176.2	-175.9	-64.9	-175.3	-1.4	111.1	R9 N10 I11 R16 H17	R9-R13 WeakPolarHBondContact O-CB 3.5Å; R9-R13 PolarHBondContact O-N 3.03Å; N10-R13 WeakPolarHBondContact O-CB 3.39Å; N10-R13 PolarHBondContact O-N 3.44Å; I11-R13 VanDerWaalsContact C-N 3.27Å; I11-R13 PolarHBondContact O-N 3.42Å; R13-R16 VanDerWaalsContact O-CB 3.29Å; R13-R16 WeakPolarHBondContact O-CB 3.29Å; R13-R16 PolarHBondContact O-N 2.86Å; R13-R16 VanDerWaalsContact O-N 3.14Å; R13-H17 PolarHBondContact O-CD2 3.12Å; R13-H17 PolarHBondContact O-N 2.92Å
14	E	94.6	Very high	88.1	Confident	7 Å²	7	90.1 Å²	90.1	3%	0.033	41%	0.407	C	S	.	.	H	α-helix	trans	-65	-41.5	178.6	-65.6	-51.8	145.1	0	0	112.6	N10 I11 R16 H17 V18 L64 L67 Q68 R71	N10-E14 PolarHBondContact O-N 3.49Å; I11-E14 PolarHBondContact O-N 3.08Å; I11-E14 VanDerWaalsContact O-N 3.17Å; E14-R16 PolarHBondContact O-N 3.22Å; E14-H17 WeakPolarHBondContact O-CB 3.45Å; E14-H17 PolarHBondContact O-N 3.36Å; E14-H17 IonicContact OE2-CD2 3.93Å; E14-V18 PolarHBondContact O-N 3.49Å; E14-V18 VanDerWaalsContact O-N 3.14Å; E14-L64 HydrophobicContact CG-CD1 3.73Å; E14-L67 HydrophobicContact CB-CB 3.76Å; E14-L67 HydrophobicContact CB-CD1 4.02Å; E14-L67 HydrophobicContact CB-CG 4.48Å; E14-L67 HydrophobicContact CG-CB 4.18Å; E14-Q68 HydrophobicContact CG-CG 3.82Å; E14-R71 IonicContact OE1-CZ 3.51Å; E14-R71 IonicContact OE1-NH1 2.72Å; E14-R71 PolarHBondContact OE1-NH1 2.9Å; E14-R71 IonicContact OE1-NH2 3.7Å; E14-R71 IonicContact OE2-CZ 3.47Å; E14-R71 IonicContact OE2-NE 3.93Å; E14-R71 IonicContact OE2-NH1 2.8Å; E14-R71 PolarHBondContact OE2-NH1 3.47Å
15	L	92.8	Very high	88.1	Confident	20 Å²	20	89.7 Å²	89.7	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-58.6	-33.8	172.9	-70.4	175.9	0	0	0	111.8	I11 L12 V18 R19 F26 V31 V32 V35 L67	I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.43Å; L12-L15 HydrophobicContact CD2-CD1 4.45Å; L12-L15 PolarHBondContact O-N 3.18Å; L15-V18 PolarHBondContact O-N 3.07Å; L15-R19 WeakPolarHBondContact O-CG 3.35Å; L15-R19 PolarHBondContact O-N 2.85Å; L15-R19 VanDerWaalsContact O-N 3.16Å; L15-F26 HydrophobicContact CB-CE2 4.04Å; L15-F26 HydrophobicContact CB-CZ 4.17Å; L15-V31 HydrophobicContact CD1-CG1 4.29Å; L15-V31 HydrophobicContact CD2-CG1 4.02Å; L15-V32 HydrophobicContact CD1-CG2 4.07Å; L15-V35 HydrophobicContact CD1-CG2 4.33Å; L15-L67 HydrophobicContact CD2-CD1 4.18Å; L15-L67 HydrophobicContact CG-CD1 4.37Å
16	R	91.8	Very high	87.9	Confident	178 Å²	178	87.1 Å²	87.1	67%	0.672	40%	0.401	S	S	*	.	H	α-helix	trans	-67.5	-36.5	174.8	-159.4	178.5	-155.3	177.3	7.7	112.4	L12 R13 E14 R19 K20 F26	L12-R16 PolarHBondContact O-N 3.38Å; R13-R16 VanDerWaalsContact O-CB 3.29Å; R13-R16 WeakPolarHBondContact O-CB 3.29Å; R13-R16 PolarHBondContact O-N 2.86Å; R13-R16 VanDerWaalsContact O-N 3.14Å; E14-R16 PolarHBondContact O-N 3.22Å; R16-R19 PolarHBondContact O-N 3.49Å; R16-K20 PolarHBondContact O-N 3.42Å; R16-F26 HydrophobicContact CB-CE2 4.12Å
17	H	90.5	Very high	87.5	Confident	64 Å²	64	87.5 Å²	87.5	30%	0.296	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-43.4	174.8	-74.7	-78.4	0	0	0	111.6	R13 E14 R19 K20 R71	R13-H17 PolarHBondContact O-CD2 3.12Å; R13-H17 PolarHBondContact O-N 2.92Å; E14-H17 WeakPolarHBondContact O-CB 3.45Å; E14-H17 PolarHBondContact O-N 3.36Å; E14-H17 IonicContact OE2-CD2 3.93Å; H17-R19 VanDerWaalsContact C-N 3.29Å; H17-R19 PolarHBondContact O-N 3.19Å; H17-K20 PolarHBondContact O-N 2.93Å; H17-R71 PolarHBondContact CD2-NH1 2.83Å; H17-R71 VanDerWaalsContact CD2-NH1 3.31Å; H17-R71 PolarHBondContact NE2-NH1 2.85Å
18	V	85.7	Confident	87	Confident	103 Å²	103	95.4 Å²	95.4	62%	0.624	44%	0.437	S	S	*	.	H	α-helix	trans	-63.6	-35.4	178.2	178.3	0	0	0	0	111.8	E14 L15 L67	E14-V18 PolarHBondContact O-N 3.49Å; E14-V18 VanDerWaalsContact O-N 3.14Å; L15-V18 PolarHBondContact O-N 3.07Å; V18-L67 HydrophobicContact CG2-CD2 4.46Å
19	R	82.9	Confident	86.8	Confident	30 Å²	30	94 Å²	94	11%	0.113	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	-175.2	-64.5	-168.7	75.6	-109.2	-2.6	115.5	L15 R16 H17 N21 Q22 A24 F26	L15-R19 WeakPolarHBondContact O-CG 3.35Å; L15-R19 PolarHBondContact O-N 2.85Å; L15-R19 VanDerWaalsContact O-N 3.16Å; R16-R19 PolarHBondContact O-N 3.49Å; H17-R19 VanDerWaalsContact C-N 3.29Å; H17-R19 PolarHBondContact O-N 3.19Å; R19-N21 PolarHBondContact O-N 2.9Å; R19-Q22 PolarHBondContact O-N 3.31Å; R19-A24 PolarHBondContact NH1-O 3.44Å; R19-A24 VanDerWaalsContact NH1-O 3.1Å; R19-A24 PolarHBondContact NH2-O 3.47Å; R19-F26 VanDerWaalsContact NH1-CA 3.27Å
20	K	77.3	Confident	86.6	Confident	154 Å²	154	90.8 Å²	90.8	67%	0.67	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-28.6	-174.7	-81.2	-175.2	176.4	-174.6	0	114.5	R16 H17	R16-K20 PolarHBondContact O-N 3.42Å; H17-K20 PolarHBondContact O-N 2.93Å
21	N	75.6	Confident	86.4	Confident	166 Å²	166	93 Å²	93	89%	0.888	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	12.4	-177.2	-61.5	-21.9	0	0	0	114.6	R19	R19-N21 PolarHBondContact O-N 2.9Å
22	Q	77.4	Confident	86.2	Confident	118 Å²	118	92.7 Å²	92.7	55%	0.551	45%	0.447	S	S	*	.			trans	-98.8	133.7	-179.1	-64.6	-165.6	-17.4	0	0	112.1	R19 A24	R19-Q22 PolarHBondContact O-N 3.31Å; Q22-A24 VanDerWaalsContact C-N 3.35Å
23	R	78.2	Confident	86.2	Confident	259 Å²	259	95.6 Å²	95.6	98%	0.977	46%	0.459	S	S	*	.	S	Bend	trans	-70.7	-29	177.4	-66.4	-177.8	178.1	166.7	-0.7	113.3
24	A	81.3	Confident	86.1	Confident	55 Å²	55	94.9 Å²	94.9	46%	0.455	46%	0.458	S	S	.	.	S	Bend	trans	-72.1	138.9	-175.8	0	0	0	0	0	111.3	R19 Q22	R19-A24 PolarHBondContact NH1-O 3.44Å; R19-A24 VanDerWaalsContact NH1-O 3.1Å; R19-A24 PolarHBondContact NH2-O 3.47Å; Q22-A24 VanDerWaalsContact C-N 3.35Å
25	P	84	Confident	86	Confident	77 Å²	77	95.5 Å²	95.5	50%	0.5	46%	0.462	S	S	.	.			trans	-60.6	150.9	-178.1	-13	24	0	0	0	111.9	D27 Y28	P25-D27 VanDerWaalsContact C-N 3.32Å; P25-D27 PolarHBondContact O-N 2.93Å; P25-Y28 HydrophobicContact CB-CD2 3.71Å; P25-Y28 HydrophobicContact CB-CE2 4.14Å; P25-Y28 HydrophobicContact CG-CD2 3.66Å; P25-Y28 HydrophobicContact CG-CE2 3.95Å; P25-Y28 PolarHBondContact O-N 3.29Å
26	F	84.6	Confident	86	Confident	44 Å²	44	96.4 Å²	96.4	19%	0.193	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-59.9	-40.7	-174.8	-175.3	-101.1	0	0	0	113.5	L12 L15 R16 R19 Y28 S29 V32	L12-F26 HydrophobicContact CB-CZ 4.37Å; L12-F26 HydrophobicContact CD2-CE1 4.17Å; L12-F26 HydrophobicContact CD2-CZ 4.15Å; L15-F26 HydrophobicContact CB-CE2 4.04Å; L15-F26 HydrophobicContact CB-CZ 4.17Å; R16-F26 HydrophobicContact CB-CE2 4.12Å; R19-F26 VanDerWaalsContact NH1-CA 3.27Å; F26-Y28 PolarHBondContact O-N 3.09Å; F26-S29 WeakPolarHBondContact O-CB 3.22Å; F26-S29 PolarHBondContact O-N 3.22Å; F26-S29 VanDerWaalsContact O-N 3.14Å; F26-V32 HydrophobicContact CD1-CG1 4.06Å; F26-V32 HydrophobicContact CD1-CG2 4.35Å; F26-V32 HydrophobicContact CD2-CG2 4.17Å; F26-V32 HydrophobicContact CE1-CB 4.45Å; F26-V32 HydrophobicContact CE1-CG1 3.65Å; F26-V32 HydrophobicContact CE1-CG2 3.89Å; F26-V32 HydrophobicContact CE2-CG2 3.67Å; F26-V32 HydrophobicContact CG-CG2 4.48Å; F26-V32 HydrophobicContact CZ-CG1 4.11Å; F26-V32 HydrophobicContact CZ-CG2 3.52Å
27	D	82.8	Confident	85.9	Confident	109 Å²	109	90 Å²	90	58%	0.583	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-72.4	-15	-174	-53.5	-36.1	0	0	0	113.7	P25 Q33	P25-D27 VanDerWaalsContact C-N 3.32Å; P25-D27 PolarHBondContact O-N 2.93Å; D27-Q33 VanDerWaalsContact O-CG 3.3Å; D27-Q33 WeakPolarHBondContact O-CG 3.39Å; D27-Q33 PolarHBondContact O-NE2 2.92Å
28	Y	81.7	Confident	85.9	Confident	170 Å²	170	90 Å²	90	67%	0.667	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-93.6	-0.3	175.2	-63.2	-75.1	0	0	0	113.4	P25 F26 P30	P25-Y28 HydrophobicContact CB-CD2 3.71Å; P25-Y28 HydrophobicContact CB-CE2 4.14Å; P25-Y28 HydrophobicContact CG-CD2 3.66Å; P25-Y28 HydrophobicContact CG-CE2 3.95Å; P25-Y28 PolarHBondContact O-N 3.29Å; F26-Y28 PolarHBondContact O-N 3.09Å; Y28-P30 VanDerWaalsContact O-CD 3.32Å; Y28-P30 WeakPolarHBondContact O-CD 3.45Å
29	S	87.7	Confident	86	Confident	16 Å²	16	87.3 Å²	87.3	11%	0.112	43%	0.429	C	S	.	.			trans	-65.7	123.8	174.6	174.9	0	0	0	0	109.3	F26 V31 V32 Q33	F26-S29 WeakPolarHBondContact O-CB 3.22Å; F26-S29 PolarHBondContact O-N 3.22Å; F26-S29 VanDerWaalsContact O-N 3.14Å; S29-V31 PolarHBondContact O-N 2.77Å; S29-V31 VanDerWaalsContact O-N 3.16Å; S29-V32 PolarHBondContact O-N 3.4Å; S29-Q33 PolarHBondContact O-N 2.88Å
30	P	90.5	Very high	86.2	Confident	103 Å²	103	94.2 Å²	94.2	67%	0.669	46%	0.455	S	S	*	.	H	α-helix	trans	-55.5	-36.3	178.8	-27.5	35.5	0	0	0	112.5	Y28 Q33 Y34	Y28-P30 VanDerWaalsContact O-CD 3.32Å; Y28-P30 WeakPolarHBondContact O-CD 3.45Å; P30-Q33 PolarHBondContact O-N 3.1Å; P30-Y34 WeakPolarHBondContact O-CB 3.41Å; P30-Y34 PolarHBondContact O-N 2.9Å
31	V	91	Very high	86.5	Confident	82 Å²	82	91.4 Å²	91.4	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-43.7	177.1	179.4	0	0	0	0	111.1	L15 S29 Y34 V35	L15-V31 HydrophobicContact CD1-CG1 4.29Å; L15-V31 HydrophobicContact CD2-CG1 4.02Å; S29-V31 PolarHBondContact O-N 2.77Å; S29-V31 VanDerWaalsContact O-N 3.16Å; V31-Y34 PolarHBondContact O-N 2.82Å; V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.3Å; V31-V35 PolarHBondContact O-N 2.93Å
32	V	92.2	Very high	86.5	Confident	1 Å²	1	84.6 Å²	84.6	1%	0.006	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-44.6	178	173	0	0	0	0	110.5	L12 L15 F26 S29 Y34 V35 I36	L12-V32 HydrophobicContact CD2-CG1 4.14Å; L15-V32 HydrophobicContact CD1-CG2 4.07Å; F26-V32 HydrophobicContact CD1-CG1 4.06Å; F26-V32 HydrophobicContact CD1-CG2 4.35Å; F26-V32 HydrophobicContact CD2-CG2 4.17Å; F26-V32 HydrophobicContact CE1-CB 4.45Å; F26-V32 HydrophobicContact CE1-CG1 3.65Å; F26-V32 HydrophobicContact CE1-CG2 3.89Å; F26-V32 HydrophobicContact CE2-CG2 3.67Å; F26-V32 HydrophobicContact CG-CG2 4.48Å; F26-V32 HydrophobicContact CZ-CG1 4.11Å; F26-V32 HydrophobicContact CZ-CG2 3.52Å; S29-V32 PolarHBondContact O-N 3.4Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; V32-Y34 PolarHBondContact O-N 3.4Å; V32-V35 PolarHBondContact O-N 3.27Å; V32-I36 HydrophobicContact CG1-CD1 3.73Å; V32-I36 HydrophobicContact CG1-CG1 4.4Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.36Å; V32-I36 PolarHBondContact O-N 2.94Å
33	Q	92.9	Very high	86.1	Confident	97 Å²	97	84.3 Å²	84.3	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.3	-68.6	-177.2	-10.5	0	0	111.9	D27 S29 P30 I36 S37	D27-Q33 VanDerWaalsContact O-CG 3.3Å; D27-Q33 WeakPolarHBondContact O-CG 3.39Å; D27-Q33 PolarHBondContact O-NE2 2.92Å; S29-Q33 PolarHBondContact O-N 2.88Å; P30-Q33 PolarHBondContact O-N 3.1Å; Q33-I36 PolarHBondContact O-N 3.48Å; Q33-S37 PolarHBondContact O-N 2.92Å; Q33-S37 PolarHBondContact O-OG 2.93Å
34	Y	93.3	Very high	85.1	Confident	139 Å²	139	78.4 Å²	78.4	55%	0.545	40%	0.396	S	S	.	.	H	α-helix	trans	-60.5	-47.4	175.2	176.3	-105.8	0	0	0	112.1	P30 V31 V32 I36 S37 E38	P30-Y34 WeakPolarHBondContact O-CB 3.41Å; P30-Y34 PolarHBondContact O-N 2.9Å; V31-Y34 PolarHBondContact O-N 2.82Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; V32-Y34 PolarHBondContact O-N 3.4Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.43Å; Y34-S37 WeakPolarHBondContact CA-OG 3.46Å; Y34-S37 PolarHBondContact O-N 3.34Å; Y34-S37 PolarHBondContact O-OG 2.72Å; Y34-E38 HydrophobicContact CD1-CG 4.36Å; Y34-E38 HydrophobicContact CD2-CG 4.32Å; Y34-E38 HydrophobicContact CE1-CG 3.85Å; Y34-E38 HydrophobicContact CE2-CG 3.79Å; Y34-E38 WeakPolarHBondContact O-CG 3.36Å; Y34-E38 PolarHBondContact O-N 2.92Å
35	V	92.2	Very high	84	Confident	21 Å²	21	78.6 Å²	78.6	13%	0.127	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-41.9	177.1	172.3	0	0	0	0	110.9	F8 I11 L15 V31 V32 S37 E38 F39	F8-V35 HydrophobicContact CD2-CG1 4.12Å; F8-V35 HydrophobicContact CE2-CG1 4.06Å; I11-V35 HydrophobicContact CG2-CG1 4.02Å; I11-V35 HydrophobicContact CG2-CG2 4.49Å; L15-V35 HydrophobicContact CD1-CG2 4.33Å; V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.3Å; V31-V35 PolarHBondContact O-N 2.93Å; V32-V35 PolarHBondContact O-N 3.27Å; V35-S37 PolarHBondContact O-N 2.91Å; V35-E38 PolarHBondContact O-N 3.42Å; V35-F39 HydrophobicContact CG1-CD2 3.95Å; V35-F39 HydrophobicContact CG1-CE2 4.07Å; V35-F39 WeakPolarHBondContact O-CD2 3.46Å; V35-F39 PolarHBondContact O-N 3.31Å; V35-F39 VanDerWaalsContact O-N 3.12Å
36	I	92	Very high	82.6	Confident	39 Å²	39	81.7 Å²	81.7	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-45.5	175.1	-69.1	164.5	0	0	0	110.9	F8 V32 Q33 Y34 R40	F8-I36 HydrophobicContact CE2-CG1 4.11Å; F8-I36 HydrophobicContact CZ-CG1 3.91Å; V32-I36 HydrophobicContact CG1-CD1 3.73Å; V32-I36 HydrophobicContact CG1-CG1 4.4Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.36Å; V32-I36 PolarHBondContact O-N 2.94Å; Q33-I36 PolarHBondContact O-N 3.48Å; Y34-I36 VanDerWaalsContact C-N 3.32Å; Y34-I36 PolarHBondContact O-N 3.43Å; I36-R40 HydrophobicContact CG2-CG 4.47Å; I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 VanDerWaalsContact O-CG 3.3Å; I36-R40 WeakPolarHBondContact O-CG 3.34Å; I36-R40 PolarHBondContact O-N 3.31Å; I36-R40 VanDerWaalsContact O-N 3.09Å
37	S	91.1	Very high	81.3	Confident	43 Å²	43	84.1 Å²	84.1	30%	0.301	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-42	179.9	56.2	0	0	0	0	112.4	Q33 Y34 V35 F39 R40 N41	Q33-S37 PolarHBondContact O-N 2.92Å; Q33-S37 PolarHBondContact O-OG 2.93Å; Y34-S37 WeakPolarHBondContact CA-OG 3.46Å; Y34-S37 PolarHBondContact O-N 3.34Å; Y34-S37 PolarHBondContact O-OG 2.72Å; V35-S37 PolarHBondContact O-N 2.91Å; S37-F39 PolarHBondContact O-N 2.95Å; S37-R40 PolarHBondContact O-N 3.18Å; S37-N41 WeakPolarHBondContact O-CB 3.3Å; S37-N41 PolarHBondContact O-N 3.39Å; S37-N41 PolarHBondContact O-ND2 3.33Å
38	E	88.8	Confident	79.9	Confident	65 Å²	65	88 Å²	88	30%	0.304	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-47	178.4	-76.7	-59.9	131.7	0	0	111.7	Y34 V35 R40 N42	Y34-E38 HydrophobicContact CD1-CG 4.36Å; Y34-E38 HydrophobicContact CD2-CG 4.32Å; Y34-E38 HydrophobicContact CE1-CG 3.85Å; Y34-E38 HydrophobicContact CE2-CG 3.79Å; Y34-E38 WeakPolarHBondContact O-CG 3.36Å; Y34-E38 PolarHBondContact O-N 2.92Å; V35-E38 PolarHBondContact O-N 3.42Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 3.41Å; E38-N42 VanDerWaalsContact O-CB 3.31Å; E38-N42 WeakPolarHBondContact O-CB 3.44Å; E38-N42 VanDerWaalsContact O-CG 3.26Å; E38-N42 PolarHBondContact O-N 2.9Å; E38-N42 PolarHBondContact O-ND2 2.94Å; E38-N42 VanDerWaalsContact O-ND2 3.08Å
39	F	88.5	Confident	78.7	Confident	45 Å²	45	82.3 Å²	82.3	20%	0.197	43%	0.426	C	S	.	.	H	α-helix	trans	-68.5	-31.7	179.4	-87.1	-93.9	0	0	0	113.2	R4 L7 F8 I11 V35 S37 H43 A60	R4-F39 WeakPolarHBondContact O-CE1 3.27Å; L7-F39 HydrophobicContact CD2-CZ 4.26Å; L7-F39 HydrophobicContact CG-CE1 4.46Å; L7-F39 HydrophobicContact CG-CZ 4.1Å; F8-F39 HydrophobicContact CB-CD1 3.67Å; F8-F39 HydrophobicContact CB-CE1 3.66Å; F8-F39 HydrophobicContact CB-CG 4.11Å; F8-F39 HydrophobicContact CB-CZ 4.09Å; F8-F39 HydrophobicContact CD2-CB 3.92Å; F8-F39 HydrophobicContact CD2-CD1 4.07Å; F8-F39 AromaticContact CD2-CD2 3.64Å; F8-F39 HydrophobicContact CD2-CD2 3.64Å; F8-F39 HydrophobicContact CD2-CE2 4.12Å; F8-F39 AromaticContact CD2-CG 3.59Å; F8-F39 HydrophobicContact CD2-CG 3.59Å; F8-F39 HydrophobicContact CE2-CB 4.27Å; F8-F39 HydrophobicContact CE2-CD2 4.36Å; F8-F39 HydrophobicContact CE2-CG 4.36Å; F8-F39 HydrophobicContact CG-CB 4.49Å; F8-F39 HydrophobicContact CG-CD1 4.16Å; F8-F39 HydrophobicContact CG-CD2 4.49Å; F8-F39 HydrophobicContact CG-CG 4.12Å; I11-F39 HydrophobicContact CD1-CE2 3.99Å; I11-F39 HydrophobicContact CD1-CZ 3.95Å; V35-F39 HydrophobicContact CG1-CD2 3.95Å; V35-F39 HydrophobicContact CG1-CE2 4.07Å; V35-F39 WeakPolarHBondContact O-CD2 3.46Å; V35-F39 PolarHBondContact O-N 3.31Å; V35-F39 VanDerWaalsContact O-N 3.12Å; S37-F39 PolarHBondContact O-N 2.95Å; F39-H43 PolarHBondContact O-N 3.42Å; F39-A60 HydrophobicContact CE2-CB 4.18Å; F39-A60 HydrophobicContact CZ-CB 3.83Å
40	R	86.8	Confident	77.7	Confident	176 Å²	176	86.3 Å²	86.3	66%	0.664	45%	0.453	S	S	*	.	H	α-helix	trans	-72.4	-46.9	175.7	-75.7	177.4	175	-177.8	-0.7	112	I36 S37 E38 N42 H43	I36-R40 HydrophobicContact CG2-CG 4.47Å; I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 VanDerWaalsContact O-CG 3.3Å; I36-R40 WeakPolarHBondContact O-CG 3.34Å; I36-R40 PolarHBondContact O-N 3.31Å; I36-R40 VanDerWaalsContact O-N 3.09Å; S37-R40 PolarHBondContact O-N 3.18Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 3.41Å; R40-N42 VanDerWaalsContact C-N 3.34Å; R40-N42 PolarHBondContact O-N 2.91Å; R40-H43 WeakPolarHBondContact O-CB 3.3Å; R40-H43 PolarHBondContact O-N 2.88Å
41	N	82.9	Confident	76.7	Confident	94 Å²	94	85.2 Å²	85.2	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-36.9	-177.5	-68	-21.8	0	0	0	111.9	S37 H43 L44	S37-N41 WeakPolarHBondContact O-CB 3.3Å; S37-N41 PolarHBondContact O-N 3.39Å; S37-N41 PolarHBondContact O-ND2 3.33Å; N41-H43 PolarHBondContact O-N 3.35Å; N41-L44 PolarHBondContact O-N 3.19Å
42	N	76	Confident	75.5	Confident	24 Å²	24	87.9 Å²	87.9	13%	0.128	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7	176.7	-66.8	-31	0	0	0	113.7	R4 E38 R40 S56	R4-N42 PolarHBondContact NH1-O 3.47Å; E38-N42 VanDerWaalsContact O-CB 3.31Å; E38-N42 WeakPolarHBondContact O-CB 3.44Å; E38-N42 VanDerWaalsContact O-CG 3.26Å; E38-N42 PolarHBondContact O-N 2.9Å; E38-N42 PolarHBondContact O-ND2 2.94Å; E38-N42 VanDerWaalsContact O-ND2 3.08Å; R40-N42 VanDerWaalsContact C-N 3.34Å; R40-N42 PolarHBondContact O-N 2.91Å; N42-S56 PolarHBondContact ND2-OG 2.8Å
43	H	69.8	Low	74.4	Confident	112 Å²	112	89.3 Å²	89.3	52%	0.519	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-22.5	173.5	-173.4	-90.7	0	0	0	112.9	F39 R40 N41	F39-H43 PolarHBondContact O-N 3.42Å; R40-H43 WeakPolarHBondContact O-CB 3.3Å; R40-H43 PolarHBondContact O-N 2.88Å; N41-H43 PolarHBondContact O-N 3.35Å
44	L	57.9	Low	73.7	Confident	134 Å²	134	90.3 Å²	90.3	70%	0.702	47%	0.468	S	S	*	.	S	Bend	trans	-97.6	2.8	-168.6	-68	173	0	0	0	115	N41	N41-L44 PolarHBondContact O-N 3.19Å
45	T	57.6	Low	73.2	Confident	59 Å²	59	89.9 Å²	89.9	36%	0.362	47%	0.472	S	S	.	.			trans	-122.9	74.4	-167.6	43	0	0	0	0	114.8	A47	T45-A47 PolarHBondContact O-N 3.31Å
46	D	55.3	Low	72.9	Confident	143 Å²	143	90.3 Å²	90.3	77%	0.765	48%	0.476	S	S	*	.			trans	-80.8	9.7	-169.3	-78	-28.3	0	0	0	118.6
47	A	56.5	Low	72.7	Confident	95 Å²	95	90 Å²	90	79%	0.785	48%	0.476	S	S	*	.	S	Bend	trans	-120	-28.6	-170.1	0	0	0	0	0	117.8	T45	T45-A47 PolarHBondContact O-N 3.31Å
48	Q	54.3	Low	72.6	Confident	190 Å²	190	93.6 Å²	93.6	89%	0.888	49%	0.487	S	S	*	.	S	Bend	trans	-127.1	7.1	-169.2	-74.5	-176.8	-17.5	0	0	114.7
49	K	55.2	Low	72.7	Confident	51 Å²	51	94.8 Å²	94.8	22%	0.222	50%	0.495	C	S	.	.			trans	-138.6	25.9	-162.2	-81.3	-175.3	3.8	-178.5	0	116.6	A51 R52 E53	K49-A51 PolarHBondContact O-N 3.28Å; K49-A51 VanDerWaalsContact O-N 3.12Å; K49-R52 HydrophobicContact CB-CB 3.96Å; K49-R52 HydrophobicContact CD-CB 4.14Å; K49-R52 HydrophobicContact CD-CG 4.43Å; K49-R52 VanDerWaalsContact CD-NE 3.33Å; K49-R52 HydrophobicContact CG-CB 3.91Å; K49-R52 CarbonylContact O-C 3.58Å; K49-R52 PolarHBondContact O-N 3.44Å; K49-E53 WeakPolarHBondContact O-CB 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.29Å; K49-E53 PolarHBondContact O-N 2.95Å
50	C	66.3	Low	72.9	Confident	99 Å²	99	93.3 Å²	93.3	67%	0.669	49%	0.491	S	S	*	.	H	α-helix	trans	-50.2	-41.5	171.6	-60.7	0	0	0	0	112.6	N54	C50-N54 WeakPolarHBondContact O-CB 3.41Å; C50-N54 PolarHBondContact O-N 2.96Å; C50-N54 PolarHBondContact O-ND2 3.25Å
51	A	69.8	Low	73.2	Confident	80 Å²	80	88.2 Å²	88.2	66%	0.661	48%	0.475	S	S	*	.	H	α-helix	trans	-65.1	-44.9	175.2	0	0	0	0	0	112.9	K49 N54 E55	K49-A51 PolarHBondContact O-N 3.28Å; K49-A51 VanDerWaalsContact O-N 3.12Å; A51-N54 PolarHBondContact O-N 2.89Å; A51-E55 PolarHBondContact O-N 3.4Å
52	R	67.1	Low	73.8	Confident	138 Å²	138	87 Å²	87	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-72	-32.6	-178.7	-161.6	-177.6	-49.4	166.6	10.9	112.5	K49 E55 S56	K49-R52 HydrophobicContact CB-CB 3.96Å; K49-R52 HydrophobicContact CD-CB 4.14Å; K49-R52 HydrophobicContact CD-CG 4.43Å; K49-R52 VanDerWaalsContact CD-NE 3.33Å; K49-R52 HydrophobicContact CG-CB 3.91Å; K49-R52 CarbonylContact O-C 3.58Å; K49-R52 PolarHBondContact O-N 3.44Å; R52-E55 PolarHBondContact O-N 2.99Å; R52-S56 WeakPolarHBondContact O-CB 3.35Å; R52-S56 PolarHBondContact O-N 2.97Å; R52-S56 PolarHBondContact O-OG 3.43Å
53	E	67.7	Low	74.7	Confident	32 Å²	32	92.3 Å²	92.3	15%	0.15	49%	0.49	C	S	.	.	H	α-helix	trans	-67.7	-42.3	172.9	-73.8	-177	-169.9	0	0	111.3	K49 E55 S56 V57	K49-E53 WeakPolarHBondContact O-CB 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.29Å; K49-E53 PolarHBondContact O-N 2.95Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.5Å; E53-S56 PolarHBondContact O-N 2.98Å; E53-S56 PolarHBondContact O-OG 3.17Å; E53-S56 VanDerWaalsContact O-OG 3.09Å; E53-V57 WeakPolarHBondContact O-CB 3.32Å; E53-V57 VanDerWaalsContact O-CG2 3.27Å; E53-V57 WeakPolarHBondContact O-CG2 3.38Å; E53-V57 PolarHBondContact O-N 3.33Å
54	N	78	Confident	76	Confident	117 Å²	117	87.6 Å²	87.6	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-61	-40.8	172.8	-72.8	-16.9	0	0	0	111.1	C50 A51 H58	C50-N54 WeakPolarHBondContact O-CB 3.41Å; C50-N54 PolarHBondContact O-N 2.96Å; C50-N54 PolarHBondContact O-ND2 3.25Å; A51-N54 PolarHBondContact O-N 2.89Å; N54-H58 WeakPolarHBondContact O-CB 3.39Å; N54-H58 PolarHBondContact O-N 3.37Å
55	E	83.7	Confident	77.8	Confident	131 Å²	131	85.7 Å²	85.7	61%	0.612	46%	0.459	S	S	*	.	H	α-helix	trans	-64.5	-44.5	176	-173.2	178.6	-161.5	0	0	112.3	A51 R52 E53 H58 L59	A51-E55 PolarHBondContact O-N 3.4Å; R52-E55 PolarHBondContact O-N 2.99Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.5Å; E55-H58 PolarHBondContact O-N 2.9Å; E55-L59 VanDerWaalsContact O-CB 3.27Å; E55-L59 WeakPolarHBondContact O-CB 3.23Å; E55-L59 PolarHBondContact O-N 3.21Å
56	S	84.8	Confident	79.7	Confident	30 Å²	30	89.3 Å²	89.3	21%	0.21	47%	0.467	C	S	.	.	H	α-helix	trans	-68.8	-37.3	-179.8	70	0	0	0	0	112.4	N42 R52 E53 A60	N42-S56 PolarHBondContact ND2-OG 2.8Å; R52-S56 WeakPolarHBondContact O-CB 3.35Å; R52-S56 PolarHBondContact O-N 2.97Å; R52-S56 PolarHBondContact O-OG 3.43Å; E53-S56 PolarHBondContact O-N 2.98Å; E53-S56 PolarHBondContact O-OG 3.17Å; E53-S56 VanDerWaalsContact O-OG 3.09Å; S56-A60 VanDerWaalsContact O-CB 3.29Å; S56-A60 WeakPolarHBondContact O-CB 3.43Å; S56-A60 PolarHBondContact O-N 3Å
57	V	87.8	Confident	81.7	Confident	33 Å²	33	83.8 Å²	83.8	20%	0.2	44%	0.437	C	S	.	.	H	α-helix	trans	-63.9	-47.2	171.7	172.2	0	0	0	0	110.2	R4 L7 E53 L59 A60 E61	R4-V57 HydrophobicContact CG-CG2 4Å; L7-V57 HydrophobicContact CD2-CG1 4.07Å; E53-V57 WeakPolarHBondContact O-CB 3.32Å; E53-V57 VanDerWaalsContact O-CG2 3.27Å; E53-V57 WeakPolarHBondContact O-CG2 3.38Å; E53-V57 PolarHBondContact O-N 3.33Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.47Å; V57-A60 PolarHBondContact O-N 3.47Å; V57-E61 HydrophobicContact CG1-CG 4.48Å; V57-E61 WeakPolarHBondContact O-CG 3.44Å; V57-E61 PolarHBondContact O-N 3.45Å
58	H	89.1	Confident	83.6	Confident	118 Å²	118	81.7 Å²	81.7	55%	0.546	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-41.4	178.2	-177	64.8	0	0	0	112.4	N54 E55 E61 T62	N54-H58 WeakPolarHBondContact O-CB 3.39Å; N54-H58 PolarHBondContact O-N 3.37Å; E55-H58 PolarHBondContact O-N 2.9Å; H58-E61 PolarHBondContact O-N 3.06Å; H58-T62 WeakPolarHBondContact O-CB 3.39Å; H58-T62 PolarHBondContact O-N 3.49Å; H58-T62 PolarHBondContact O-OG1 3.16Å
59	L	90.9	Very high	85.6	Confident	90 Å²	90	76 Å²	76	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-45	174.9	-176.3	63.1	0	0	0	111	E55 V57 E61 T62 Y63	E55-L59 VanDerWaalsContact O-CB 3.27Å; E55-L59 WeakPolarHBondContact O-CB 3.23Å; E55-L59 PolarHBondContact O-N 3.21Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.47Å; L59-E61 PolarHBondContact O-N 2.95Å; L59-T62 WeakPolarHBondContact O-CB 3.23Å; L59-T62 PolarHBondContact O-N 3Å; L59-Y63 HydrophobicContact CD1-CD2 4.03Å; L59-Y63 HydrophobicContact CD1-CE2 3.53Å; L59-Y63 HydrophobicContact CD2-CE2 4.18Å; L59-Y63 HydrophobicContact CG-CD2 3.89Å; L59-Y63 HydrophobicContact CG-CE2 3.63Å; L59-Y63 WeakPolarHBondContact O-CD2 3.48Å; L59-Y63 PolarHBondContact O-N 3.19Å
60	A	92.7	Very high	87.6	Confident	13 Å²	13	77.2 Å²	77.2	11%	0.107	40%	0.401	C	S	.	.	H	α-helix	trans	-63.9	-38.9	176.7	0	0	0	0	0	112.6	L7 I11 F39 S56 V57 T62 Y63 L64	L7-A60 HydrophobicContact CD2-CB 3.69Å; L7-A60 HydrophobicContact CG-CB 4.22Å; I11-A60 HydrophobicContact CD1-CB 3.87Å; F39-A60 HydrophobicContact CE2-CB 4.18Å; F39-A60 HydrophobicContact CZ-CB 3.83Å; S56-A60 VanDerWaalsContact O-CB 3.29Å; S56-A60 WeakPolarHBondContact O-CB 3.43Å; S56-A60 PolarHBondContact O-N 3Å; V57-A60 PolarHBondContact O-N 3.47Å; A60-T62 VanDerWaalsContact C-N 3.35Å; A60-Y63 PolarHBondContact O-N 3.34Å; A60-L64 WeakPolarHBondContact O-CB 3.36Å; A60-L64 PolarHBondContact O-N 2.72Å
61	E	93.8	Very high	89	Confident	70 Å²	70	75.7 Å²	75.7	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-42	172.2	-72.8	179.2	158.4	0	0	111.7	L7 V57 H58 L59 L64 N65	L7-E61 HydrophobicContact CD1-CG 3.93Å; L7-E61 HydrophobicContact CD2-CG 3.78Å; V57-E61 HydrophobicContact CG1-CG 4.48Å; V57-E61 WeakPolarHBondContact O-CG 3.44Å; V57-E61 PolarHBondContact O-N 3.45Å; H58-E61 PolarHBondContact O-N 3.06Å; L59-E61 PolarHBondContact O-N 2.95Å; E61-L64 PolarHBondContact O-N 3.38Å; E61-N65 PolarHBondContact O-N 3.14Å
62	T	95.6	Very high	90.2	Very high	69 Å²	69	77.2 Å²	77.2	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-46.8	176.2	-59.4	0	0	0	0	111.1	H58 L59 A60 N65 Y66	H58-T62 WeakPolarHBondContact O-CB 3.39Å; H58-T62 PolarHBondContact O-N 3.49Å; H58-T62 PolarHBondContact O-OG1 3.16Å; L59-T62 WeakPolarHBondContact O-CB 3.23Å; L59-T62 PolarHBondContact O-N 3Å; A60-T62 VanDerWaalsContact C-N 3.35Å; T62-N65 PolarHBondContact O-N 3.01Å; T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.4Å
63	Y	94.8	Very high	91.5	Very high	135 Å²	135	76.2 Å²	76.2	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-37.8	175.9	-80.4	-62.8	0	0	0	112.9	L59 A60 Y66 L67	L59-Y63 HydrophobicContact CD1-CD2 4.03Å; L59-Y63 HydrophobicContact CD1-CE2 3.53Å; L59-Y63 HydrophobicContact CD2-CE2 4.18Å; L59-Y63 HydrophobicContact CG-CD2 3.89Å; L59-Y63 HydrophobicContact CG-CE2 3.63Å; L59-Y63 WeakPolarHBondContact O-CD2 3.48Å; L59-Y63 PolarHBondContact O-N 3.19Å; A60-Y63 PolarHBondContact O-N 3.34Å; Y63-Y66 PolarHBondContact O-N 2.89Å; Y63-L67 VanDerWaalsContact O-CG 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.16Å; Y63-L67 PolarHBondContact O-N 3.31Å
64	L	96.3	Very high	92.7	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.063	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-48.7	174.2	176.5	59.9	0	0	0	110.8	L7 N10 I11 E14 A60 E61 Y66 L67 Q68	L7-L64 HydrophobicContact CD1-CB 4.1Å; L7-L64 HydrophobicContact CD1-CD2 3.68Å; N10-L64 HydrophobicContact CB-CD1 3.82Å; N10-L64 HydrophobicContact CB-CD2 3.63Å; N10-L64 HydrophobicContact CB-CG 4.41Å; I11-L64 HydrophobicContact CG1-CB 3.93Å; I11-L64 HydrophobicContact CG1-CD1 4.21Å; E14-L64 HydrophobicContact CG-CD1 3.73Å; A60-L64 WeakPolarHBondContact O-CB 3.36Å; A60-L64 PolarHBondContact O-N 2.72Å; E61-L64 PolarHBondContact O-N 3.38Å; L64-Y66 VanDerWaalsContact C-N 3.29Å; L64-Y66 PolarHBondContact O-N 2.8Å; L64-L67 PolarHBondContact O-N 3.1Å; L64-Q68 HydrophobicContact CD1-CG 4.16Å; L64-Q68 WeakPolarHBondContact O-CG 3.49Å; L64-Q68 PolarHBondContact O-N 3.17Å
65	N	97.3	Very high	93.4	Very high	94 Å²	94	77.3 Å²	77.3	50%	0.503	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177.6	-72.9	-16.5	0	0	0	111.4	E61 T62 S69	E61-N65 PolarHBondContact O-N 3.14Å; T62-N65 PolarHBondContact O-N 3.01Å; N65-S69 VanDerWaalsContact O-CB 3.3Å; N65-S69 WeakPolarHBondContact O-CB 3.29Å; N65-S69 PolarHBondContact O-N 3.49Å; N65-S69 PolarHBondContact O-OG 3.44Å
66	Y	97.1	Very high	93.8	Very high	136 Å²	136	75.5 Å²	75.5	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-49.7	176.3	179.2	-114.4	0	0	0	112	T62 Y63 L64 Q68 S69 L70	T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.4Å; Y63-Y66 PolarHBondContact O-N 2.89Å; L64-Y66 VanDerWaalsContact C-N 3.29Å; L64-Y66 PolarHBondContact O-N 2.8Å; Y66-Q68 PolarHBondContact O-N 3.49Å; Y66-S69 PolarHBondContact O-N 3.14Å; Y66-L70 HydrophobicContact CD1-CD1 4.02Å; Y66-L70 HydrophobicContact CE1-CD1 3.49Å; Y66-L70 VanDerWaalsContact CE1-CD1 3.49Å; Y66-L70 HydrophobicContact CE1-CG 4.27Å; Y66-L70 HydrophobicContact CE2-CD1 4.25Å; Y66-L70 HydrophobicContact CE2-CD2 4.35Å; Y66-L70 HydrophobicContact CE2-CG 4.17Å; Y66-L70 WeakPolarHBondContact O-CG 3.49Å; Y66-L70 PolarHBondContact O-N 3.01Å
67	L	95.9	Very high	94.1	Very high	26 Å²	26	76.9 Å²	76.9	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-43	179.3	-70.3	170.4	0	0	0	112.4	I11 E14 L15 V18 Y63 L64 S69 L70 R71	I11-L67 HydrophobicContact CG2-CD1 4.44Å; E14-L67 HydrophobicContact CB-CB 3.76Å; E14-L67 HydrophobicContact CB-CD1 4.02Å; E14-L67 HydrophobicContact CB-CG 4.48Å; E14-L67 HydrophobicContact CG-CB 4.18Å; L15-L67 HydrophobicContact CD2-CD1 4.18Å; L15-L67 HydrophobicContact CG-CD1 4.37Å; V18-L67 HydrophobicContact CG2-CD2 4.46Å; Y63-L67 VanDerWaalsContact O-CG 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.16Å; Y63-L67 PolarHBondContact O-N 3.31Å; L64-L67 PolarHBondContact O-N 3.1Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 3.43Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-R71 PolarHBondContact O-N 3.26Å
68	Q	97.3	Very high	94	Very high	52 Å²	52	83 Å²	83	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-62.4	-41	175.4	-73.4	-179.6	-14.1	0	0	111.9	E14 L64 Y66 R71 K72	E14-Q68 HydrophobicContact CG-CG 3.82Å; L64-Q68 HydrophobicContact CD1-CG 4.16Å; L64-Q68 WeakPolarHBondContact O-CG 3.49Å; L64-Q68 PolarHBondContact O-N 3.17Å; Y66-Q68 PolarHBondContact O-N 3.49Å; Q68-R71 PolarHBondContact O-N 2.95Å; Q68-K72 WeakPolarHBondContact O-CG 3.37Å; Q68-K72 PolarHBondContact O-N 3.12Å
69	S	97.4	Very high	93.9	Very high	70 Å²	70	81.9 Å²	81.9	49%	0.49	41%	0.408	S	S	.	.	H	α-helix	trans	-66.1	-41.1	178.6	-59.4	0	0	0	0	111.2	N65 Y66 L67 R71 K72 H73	N65-S69 VanDerWaalsContact O-CB 3.3Å; N65-S69 WeakPolarHBondContact O-CB 3.29Å; N65-S69 PolarHBondContact O-N 3.49Å; N65-S69 PolarHBondContact O-OG 3.44Å; Y66-S69 PolarHBondContact O-N 3.14Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 3.43Å; S69-R71 PolarHBondContact O-N 3.01Å; S69-K72 PolarHBondContact O-N 3.23Å; S69-H73 WeakPolarHBondContact O-CB 3.4Å; S69-H73 PolarHBondContact O-N 3.16Å
70	L	95.6	Very high	93.5	Very high	76 Å²	76	83.9 Å²	83.9	40%	0.398	41%	0.411	S	S	.	.	H	α-helix	trans	-59.5	-44.2	173.3	-76	176.6	0	0	0	112.2	Y66 L67 H73 S74	Y66-L70 HydrophobicContact CD1-CD1 4.02Å; Y66-L70 HydrophobicContact CE1-CD1 3.49Å; Y66-L70 VanDerWaalsContact CE1-CD1 3.49Å; Y66-L70 HydrophobicContact CE1-CG 4.27Å; Y66-L70 HydrophobicContact CE2-CD1 4.25Å; Y66-L70 HydrophobicContact CE2-CD2 4.35Å; Y66-L70 HydrophobicContact CE2-CG 4.17Å; Y66-L70 WeakPolarHBondContact O-CG 3.49Å; Y66-L70 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 3.38Å; L70-H73 PolarHBondContact O-N 3.49Å; L70-S74 WeakPolarHBondContact O-CB 3.5Å; L70-S74 PolarHBondContact O-N 3.45Å
71	R	95.2	Very high	92.8	Very high	68 Å²	68	90.5 Å²	90.5	26%	0.257	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-52	177.7	-171	-176.4	73.5	-146.5	-8.2	111.2	E14 H17 L67 Q68 S69 H73 S74 E75	E14-R71 IonicContact OE1-CZ 3.51Å; E14-R71 IonicContact OE1-NH1 2.72Å; E14-R71 PolarHBondContact OE1-NH1 2.9Å; E14-R71 IonicContact OE1-NH2 3.7Å; E14-R71 IonicContact OE2-CZ 3.47Å; E14-R71 IonicContact OE2-NE 3.93Å; E14-R71 IonicContact OE2-NH1 2.8Å; E14-R71 PolarHBondContact OE2-NH1 3.47Å; H17-R71 PolarHBondContact CD2-NH1 2.83Å; H17-R71 VanDerWaalsContact CD2-NH1 3.31Å; H17-R71 PolarHBondContact NE2-NH1 2.85Å; L67-R71 PolarHBondContact O-N 3.26Å; Q68-R71 PolarHBondContact O-N 2.95Å; S69-R71 PolarHBondContact O-N 3.01Å; R71-H73 VanDerWaalsContact C-N 3.3Å; R71-H73 PolarHBondContact O-N 3.39Å; R71-S74 WeakPolarHBondContact O-CB 3.43Å; R71-S74 PolarHBondContact O-N 3.14Å; R71-S74 VanDerWaalsContact O-N 3.12Å; R71-E75 WeakPolarHBondContact CG-OE1 3.41Å; R71-E75 IonicContact NE-OE1 3.5Å; R71-E75 WeakPolarHBondContact O-CG 3.39Å; R71-E75 PolarHBondContact O-N 3.25Å
72	K	96.1	Very high	91.4	Very high	112 Å²	112	93.2 Å²	93.2	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-41.4	178	-69.9	174.9	-177.3	178.5	0	111.8	Q68 S69 S74 E75 L76	Q68-K72 WeakPolarHBondContact O-CG 3.37Å; Q68-K72 PolarHBondContact O-N 3.12Å; S69-K72 PolarHBondContact O-N 3.23Å; K72-S74 VanDerWaalsContact C-N 3.34Å; K72-S74 PolarHBondContact O-N 3.1Å; K72-E75 WeakPolarHBondContact O-CB 3.3Å; K72-E75 PolarHBondContact O-N 3.37Å; K72-L76 WeakPolarHBondContact O-CG 3.49Å; K72-L76 PolarHBondContact O-N 3.28Å
73	H	95.2	Very high	90.3	Very high	117 Å²	117	98.3 Å²	98.3	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175	174.9	-92.9	0	0	0	111.2	S69 L70 R71 E75 L76 V77	S69-H73 WeakPolarHBondContact O-CB 3.4Å; S69-H73 PolarHBondContact O-N 3.16Å; L70-H73 PolarHBondContact O-N 3.49Å; R71-H73 VanDerWaalsContact C-N 3.3Å; R71-H73 PolarHBondContact O-N 3.39Å; H73-E75 VanDerWaalsContact C-N 3.34Å; H73-E75 PolarHBondContact O-N 3.29Å; H73-L76 PolarHBondContact O-N 2.95Å; H73-V77 WeakPolarHBondContact O-CB 3.31Å; H73-V77 VanDerWaalsContact O-CG2 3.31Å; H73-V77 WeakPolarHBondContact O-CG2 3.48Å; H73-V77 PolarHBondContact O-N 3.38Å
74	S	92.4	Very high	89.4	Confident	72 Å²	72	101.2 Å²	101.2	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175	-170.5	0	0	0	0	112.3	L70 R71 K72 V77 E78	L70-S74 WeakPolarHBondContact O-CB 3.5Å; L70-S74 PolarHBondContact O-N 3.45Å; R71-S74 WeakPolarHBondContact O-CB 3.43Å; R71-S74 PolarHBondContact O-N 3.14Å; R71-S74 VanDerWaalsContact O-N 3.12Å; K72-S74 VanDerWaalsContact C-N 3.34Å; K72-S74 PolarHBondContact O-N 3.1Å; S74-V77 PolarHBondContact O-N 3.29Å; S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 2.7Å
75	E	92.1	Very high	88.5	Confident	100 Å²	100	104.5 Å²	104.5	47%	0.467	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.4	-69.3	165.4	-169.2	0	0	111.2	R71 K72 H73 E78 L79	R71-E75 WeakPolarHBondContact CG-OE1 3.41Å; R71-E75 IonicContact NE-OE1 3.5Å; R71-E75 WeakPolarHBondContact O-CG 3.39Å; R71-E75 PolarHBondContact O-N 3.25Å; K72-E75 WeakPolarHBondContact O-CB 3.3Å; K72-E75 PolarHBondContact O-N 3.37Å; H73-E75 VanDerWaalsContact C-N 3.34Å; H73-E75 PolarHBondContact O-N 3.29Å; E75-E78 PolarHBondContact O-N 3.4Å; E75-L79 WeakPolarHBondContact O-CB 2.83Å; E75-L79 PolarHBondContact O-N 3.48Å
76	L	92	Very high	87.9	Confident	92 Å²	92	103.5 Å²	103.5	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-64.4	-44.1	175.1	-71.4	172	0	0	0	111.7	K72 H73 E78 L79 Y80	K72-L76 WeakPolarHBondContact O-CG 3.49Å; K72-L76 PolarHBondContact O-N 3.28Å; H73-L76 PolarHBondContact O-N 2.95Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.3Å; L76-Y80 HydrophobicContact CD2-CD2 4.37Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CB 3.28Å; L76-Y80 VanDerWaalsContact O-CD2 3.25Å; L76-Y80 WeakPolarHBondContact O-CD2 3.46Å; L76-Y80 PolarHBondContact O-N 2.93Å
77	V	91	Very high	87.4	Confident	59 Å²	59	102.2 Å²	102.2	36%	0.358	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.5	171.7	0	0	0	0	109.5	H73 S74 L79 Y80 K81	H73-V77 WeakPolarHBondContact O-CB 3.31Å; H73-V77 VanDerWaalsContact O-CG2 3.31Å; H73-V77 WeakPolarHBondContact O-CG2 3.48Å; H73-V77 PolarHBondContact O-N 3.38Å; S74-V77 PolarHBondContact O-N 3.29Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.85Å; V77-Y80 PolarHBondContact O-N 2.89Å; V77-K81 HydrophobicContact CG1-CB 4.02Å; V77-K81 HydrophobicContact CG1-CD 3.98Å; V77-K81 VanDerWaalsContact O-CA 3.28Å; V77-K81 WeakPolarHBondContact O-CA 3.32Å; V77-K81 WeakPolarHBondContact O-CB 3.43Å; V77-K81 PolarHBondContact O-N 2.95Å
78	E	87.2	Confident	87.1	Confident	161 Å²	161	107.1 Å²	107.1	75%	0.752	53%	0.533	S	S	*	.	H	α-helix	trans	-61.4	-42.1	176.9	-173.7	175.2	-179.3	0	0	112.7	S74 E75 L76	S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 2.7Å; E75-E78 PolarHBondContact O-N 3.4Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 3.42Å
79	L	85.4	Confident	86.6	Confident	96 Å²	96	109.5 Å²	109.5	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-43.2	179.8	-177.1	60.8	0	0	0	112.5	E75 L76 V77	E75-L79 WeakPolarHBondContact O-CB 2.83Å; E75-L79 PolarHBondContact O-N 3.48Å; L76-L79 PolarHBondContact O-N 3.3Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.85Å
80	Y	83.1	Confident	86.1	Confident	132 Å²	132	108.2 Å²	108.2	52%	0.518	54%	0.538	S	S	.	.	H	α-helix	trans	-104.4	-13	-171.4	-65.8	-68.9	0	0	0	114.7	L76 V77 T82 M93	L76-Y80 HydrophobicContact CD2-CD2 4.37Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CB 3.28Å; L76-Y80 VanDerWaalsContact O-CD2 3.25Å; L76-Y80 WeakPolarHBondContact O-CD2 3.46Å; L76-Y80 PolarHBondContact O-N 2.93Å; V77-Y80 PolarHBondContact O-N 2.89Å; Y80-T82 PolarHBondContact O-N 3.26Å; Y80-M93 HydrophobicContact CD1-CE 4.45Å; Y80-M93 HydrophobicContact CD1-SD 4.44Å
81	K	78.9	Confident	85.8	Confident	151 Å²	151	105.4 Å²	105.4	66%	0.657	53%	0.526	S	S	*	.	S	Bend	trans	-65.3	127.1	-179.9	-176.5	174.4	-175.4	-178.9	0	109.5	V77 K83	V77-K81 HydrophobicContact CG1-CB 4.02Å; V77-K81 HydrophobicContact CG1-CD 3.98Å; V77-K81 VanDerWaalsContact O-CA 3.28Å; V77-K81 WeakPolarHBondContact O-CA 3.32Å; V77-K81 WeakPolarHBondContact O-CB 3.43Å; V77-K81 PolarHBondContact O-N 2.95Å; K81-K83 PolarHBondContact O-N 3.06Å
82	T	64.5	Low	85.5	Confident	127 Å²	127	110.1 Å²	110.1	78%	0.779	55%	0.548	S	S	*	.			trans	-60.6	94.3	-174.8	-8	0	0	0	0	111	Y80	Y80-T82 PolarHBondContact O-N 3.26Å
83	K	72.1	Confident	85	Confident	177 Å²	177	108.2 Å²	108.2	77%	0.77	54%	0.541	S	S	*	.	S	Bend		-78	147	126.6	-70.7	-175.3	177.2	-178.7	0	106.2	K81 K85	K81-K83 PolarHBondContact O-N 3.06Å; K83-K85 PolarHBondContact O-N 3.36Å
84	E	75	Confident	84.6	Confident	195 Å²	195	107.6 Å²	107.6	91%	0.911	55%	0.546	S	S	*	.			trans	-53	115.9	167.7	-74	-179.9	162.9	0	0	107.4
85	K	77.3	Confident	84.5	Confident	81 Å²	81	107.5 Å²	107.5	35%	0.352	56%	0.556	S	S	.	*			trans	-95	145.1	178.1	-71	173.9	-169.8	-88.9	0	107.7	K83 E89 M93	K83-K85 PolarHBondContact O-N 3.36Å; K85-E89 VanDerWaalsContact CA-OE2 3.3Å; K85-E89 WeakPolarHBondContact CA-OE2 3.42Å; K85-E89 HydrophobicContact CB-CB 4.02Å; K85-M93 HydrophobicContact CD-CE 3.32Å; K85-M93 HydrophobicContact CD-SD 3.74Å; K85-M93 VanDerWaalsContact CE-CE 3.47Å; K85-M93 WeakPolarHBondContact CE-SD 3.3Å; K85-M93 PolarHBondContact NZ-SD 3.3Å
86	T	85.6	Confident	84.5	Confident	74 Å²	74	108.2 Å²	108.2	45%	0.454	56%	0.563	S	S	.	*			trans	-64.3	159.1	170.5	69.2	0	0	0	0	109.7	E88 E89 A90	T86-E88 PolarHBondContact O-N 3.24Å; T86-E89 PolarHBondContact N-OE2 3.11Å; T86-E89 PolarHBondContact O-N 3.12Å; T86-E89 VanDerWaalsContact OG1-CG 3.29Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.29Å; T86-A90 PolarHBondContact O-N 3.42Å
87	T	86.3	Confident	84.5	Confident	108 Å²	108	108.1 Å²	108.1	66%	0.663	58%	0.575	S	S	*	*	H	α-helix	trans	-55.6	-36.4	176.1	47.5	0	0	0	0	111.9	A91	T87-A91 WeakPolarHBondContact O-CB 3.12Å; T87-A91 PolarHBondContact O-N 2.85Å
88	E	89.2	Confident	84.3	Confident	130 Å²	130	109.5 Å²	109.5	61%	0.607	58%	0.58	S	S	*	*	H	α-helix	trans	-65.4	-48.7	176.3	-167.2	-178	168.9	0	0	112.2	T86 A90 A91 K92 L98	T86-E88 PolarHBondContact O-N 3.24Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.26Å; E88-A91 PolarHBondContact O-N 2.99Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3Å; E88-L98 HydrophobicContact CB-CD1 3.58Å; E88-L98 HydrophobicContact CB-CG 4.47Å; E88-L98 HydrophobicContact CG-CD1 4.02Å
89	E	87.4	Confident	84.4	Confident	101 Å²	101	107.1 Å²	107.1	47%	0.472	58%	0.578	S	S	.	*	H	α-helix	trans	-60.9	-42.5	177.8	-74.2	173	165.6	0	0	111.5	K85 T86 K92 M93	K85-E89 VanDerWaalsContact CA-OE2 3.3Å; K85-E89 WeakPolarHBondContact CA-OE2 3.42Å; K85-E89 HydrophobicContact CB-CB 4.02Å; T86-E89 PolarHBondContact N-OE2 3.11Å; T86-E89 PolarHBondContact O-N 3.12Å; T86-E89 VanDerWaalsContact OG1-CG 3.29Å; T86-E89 WeakPolarHBondContact OG1-CG 3.45Å; T86-E89 PolarHBondContact OG1-N 3.29Å; E89-K92 PolarHBondContact O-N 3.2Å; E89-M93 WeakPolarHBondContact O-CG 3.45Å; E89-M93 PolarHBondContact O-N 3.39Å; E89-M93 VanDerWaalsContact O-N 3.11Å
90	A	86.7	Confident	84.3	Confident	44 Å²	44	110.4 Å²	110.4	36%	0.364	59%	0.591	S	S	.	*	H	α-helix	trans	-63.5	-44	177.3	0	0	0	0	0	111.9	T86 E88 M93	T86-A90 PolarHBondContact O-N 3.42Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.26Å; A90-M93 PolarHBondContact O-N 2.95Å
91	A	88.6	Confident	84	Confident	17 Å²	17	109.5 Å²	109.5	14%	0.14	60%	0.599	C	S	.	*	H	α-helix	trans	-60.1	-47.4	175	0	0	0	0	0	111.1	T87 E88 M93 V94 G95 L96	T87-A91 WeakPolarHBondContact O-CB 3.12Å; T87-A91 PolarHBondContact O-N 2.85Å; E88-A91 PolarHBondContact O-N 2.99Å; A91-M93 VanDerWaalsContact C-N 3.3Å; A91-M93 PolarHBondContact O-N 3.02Å; A91-V94 WeakPolarHBondContact O-CG2 3.44Å; A91-V94 PolarHBondContact O-N 3.43Å; A91-V94 VanDerWaalsContact O-N 3.12Å; A91-G95 PolarHBondContact O-N 3.18Å; A91-L96 CarbonylContact C-O 3.09Å; A91-L96 HydrophobicContact CB-CB 4.02Å; A91-L96 CarbonylContact O-C 3.59Å; A91-L96 WeakPolarHBondContact O-CA 3.48Å; A91-L96 WeakPolarHBondContact O-CB 3.3Å; A91-L96 PolarHBondContact O-N 3.23Å; A91-L96 VanDerWaalsContact O-O 3.12Å
92	K	89.8	Confident	83.6	Confident	166 Å²	166	107.5 Å²	107.5	72%	0.722	60%	0.596	S	S	*	*	H	α-helix	trans	-60.2	-37.6	-179.3	-171.3	177.1	-178.1	175.9	0	113	E88 E89 V94 G95 L96	E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3Å; E89-K92 PolarHBondContact O-N 3.2Å; K92-V94 PolarHBondContact O-N 2.97Å; K92-G95 PolarHBondContact O-N 3.21Å; K92-L96 VanDerWaalsContact CA-O 3.3Å; K92-L96 WeakPolarHBondContact CA-O 3.29Å; K92-L96 PolarHBondContact N-O 3.05Å
93	M	84.8	Confident	83.5	Confident	72 Å²	72	110.6 Å²	110.6	36%	0.355	60%	0.595	S	S	.	*	H	α-helix	trans	-61.5	-27.4	178.9	-74.5	-158.4	-50.7	0	0	113.8	Y80 K85 E89 A90 A91	Y80-M93 HydrophobicContact CD1-CE 4.45Å; Y80-M93 HydrophobicContact CD1-SD 4.44Å; K85-M93 HydrophobicContact CD-CE 3.32Å; K85-M93 HydrophobicContact CD-SD 3.74Å; K85-M93 VanDerWaalsContact CE-CE 3.47Å; K85-M93 WeakPolarHBondContact CE-SD 3.3Å; K85-M93 PolarHBondContact NZ-SD 3.3Å; E89-M93 WeakPolarHBondContact O-CG 3.45Å; E89-M93 PolarHBondContact O-N 3.39Å; E89-M93 VanDerWaalsContact O-N 3.11Å; A90-M93 PolarHBondContact O-N 2.95Å; A91-M93 VanDerWaalsContact C-N 3.3Å; A91-M93 PolarHBondContact O-N 3.02Å
94	V	88.2	Confident	83.1	Confident	105 Å²	105	110.4 Å²	110.4	64%	0.636	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	9.6	177.7	-62.7	0	0	0	0	112.7	A91 K92 L96	A91-V94 WeakPolarHBondContact O-CG2 3.44Å; A91-V94 PolarHBondContact O-N 3.43Å; A91-V94 VanDerWaalsContact O-N 3.12Å; K92-V94 PolarHBondContact O-N 2.97Å; V94-L96 HydrophobicContact CG2-CB 4.16Å; V94-L96 HydrophobicContact CG2-CD1 3.72Å; V94-L96 HydrophobicContact CG2-CG 3.82Å
95	G	89.5	Confident	82	Confident	70 Å²	70	113.8 Å²	113.8	72%	0.722	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	19.2	-178.6	0	0	0	0	0	114.5	A91 K92	A91-G95 PolarHBondContact O-N 3.18Å; K92-G95 PolarHBondContact O-N 3.21Å
96	L	92.7	Very high	82.2	Confident	115 Å²	115	115.4 Å²	115.4	60%	0.602	62%	0.621	S	S	*	*			trans	-104.2	162.7	176.3	-60.5	176.1	0	0	0	111.2	A91 K92 V94	A91-L96 CarbonylContact C-O 3.09Å; A91-L96 HydrophobicContact CB-CB 4.02Å; A91-L96 CarbonylContact O-C 3.59Å; A91-L96 WeakPolarHBondContact O-CA 3.48Å; A91-L96 WeakPolarHBondContact O-CB 3.3Å; A91-L96 PolarHBondContact O-N 3.23Å; A91-L96 VanDerWaalsContact O-O 3.12Å; K92-L96 VanDerWaalsContact CA-O 3.3Å; K92-L96 WeakPolarHBondContact CA-O 3.29Å; K92-L96 PolarHBondContact N-O 3.05Å; V94-L96 HydrophobicContact CG2-CB 4.16Å; V94-L96 HydrophobicContact CG2-CD1 3.72Å; V94-L96 HydrophobicContact CG2-CG 3.82Å
97	A	91	Very high	82	Confident	89 Å²	89	117.6 Å²	117.6	74%	0.736	63%	0.629	S	S	*	*			trans	-129.8	152.8	171.8	0	0	0	0	0	109.5
98	L	87.7	Confident	81.8	Confident	88 Å²	88	118.1 Å²	118.1	46%	0.461	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-67.7	142.1	170.7	-73.8	165.8	0	0	0	109.3	E88	E88-L98 HydrophobicContact CB-CD1 3.58Å; E88-L98 HydrophobicContact CB-CG 4.47Å; E88-L98 HydrophobicContact CG-CD1 4.02Å
99	P	88.9	Confident	81.3	Confident	111 Å²	111	117.4 Å²	117.4	72%	0.721	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-63.2	140.4	174	26.8	-32.9	0	0	0	110	T101	P99-T101 PolarHBondContact O-N 3.21Å
100	E	83.8	Confident	81	Confident	165 Å²	165	118.4 Å²	118.4	77%	0.771	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-61.4	120.8	170.7	-65.7	179.9	179.8	0	0	108.5	N102	E100-N102 PolarHBondContact O-N 2.93Å
101	T	75.1	Confident	80.6	Confident	113 Å²	113	123.4 Å²	123.4	69%	0.693	66%	0.657	S	S	*	*			trans	-72.5	76.7	173.4	45.4	0	0	0	0	109.3	P99 Y103	P99-T101 PolarHBondContact O-N 3.21Å; T101-Y103 HydrophobicContact CG2-CD2 4.32Å; T101-Y103 HydrophobicContact CG2-CE2 3.89Å; T101-Y103 PolarHBondContact O-N 2.79Å
102	N	70.7	Confident	80	Confident	109 Å²	109	131 Å²	131	58%	0.583	69%	0.694	S	S	*	*			trans	-72.5	77.2	158.3	-70.5	-60.1	0	0	0	107.1	E100 H104	E100-N102 PolarHBondContact O-N 2.93Å; N102-H104 PolarHBondContact O-N 2.86Å
103	Y	63.7	Low	79.3	Confident	193 Å²	193	128.3 Å²	128.3	76%	0.757	69%	0.691	S	S	*	*			trans	-65.4	89	161.3	-82.4	-80.6	0	0	0	106.8	T101 K105	T101-Y103 HydrophobicContact CG2-CD2 4.32Å; T101-Y103 HydrophobicContact CG2-CE2 3.89Å; T101-Y103 PolarHBondContact O-N 2.79Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.01Å
104	H	63.3	Low	78.8	Confident	173 Å²	173	133 Å²	133	80%	0.801	72%	0.72	S	S	*	*			trans	-63.6	101.3	156.4	-64.3	-64.7	0	0	0	106.8	N102	N102-H104 PolarHBondContact O-N 2.86Å
105	K	51	Low	77.9	Confident	265 Å²	265	135.5 Å²	135.5	100%	1.152	73%	0.727	S	S	*	*			trans	-118.3	0	150.5	-82.4	-169.9	178.1	-180	0	107.5	Y103	Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.01Å

Retrieved 105 of 105 residues in 30.9 ms (Link to these results)

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