A0A3Q0KCN4_SCHMA Loading...

Putative cys-loop ligand gated ion channel subunit

AlphaFold DB , UniProt , Accession A0A3Q0KCN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 554 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	53.3	Low	236 Å²	236	104.1 Å²	104.1	100%	1.163	50%	0.503	S	S	*	.				0	-10.1	0	-132.9	170.9	169.5	0	0	114
2	M	42.9	Very low	53.8	Low	164 Å²	164	102.7 Å²	102.7	81%	0.808	50%	0.499	S	S	*	.			trans	-99.3	-7.7	-171.2	-124	172.5	159.9	0	0	116.4
3	F	47.5	Very low	54.6	Low	175 Å²	175	101.9 Å²	101.9	77%	0.768	50%	0.498	S	S	*	.	S	Bend	trans	-104.9	-17.2	-172.2	-73.9	-75.5	0	0	0	116	P6	F3-P6 WeakPolarHBondContact O-CD 3.26Å; F3-P6 WeakPolarHBondContact O-CG 3.23Å
4	H	49.8	Very low	55.2	Low	45 Å²	45	101 Å²	101	21%	0.208	50%	0.495	C	S	.	.	H	α-helix	trans	-87.7	-22.7	177.9	-81	-64.2	0	0	0	114.2	F7 I8	H4-F7 PolarHBondContact O-N 3.16Å; H4-I8 HydrophobicContact CB-CD1 4.48Å; H4-I8 WeakPolarHBondContact O-CG1 3.34Å; H4-I8 PolarHBondContact O-N 3.33Å
5	T	53.5	Low	55.1	Low	82 Å²	82	99.6 Å²	99.6	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-44.7	176	34.3	0	0	0	0	113.5	H9	T5-H9 WeakPolarHBondContact O-CB 3.28Å; T5-H9 PolarHBondContact O-N 3.36Å
6	P	52	Low	55.4	Low	55 Å²	55	98.9 Å²	98.9	36%	0.357	48%	0.484	S	S	.	.	H	α-helix	trans	-66.9	-40.2	175.5	25	-33.4	0	0	0	111.7	F3 I8 H9 Y10	F3-P6 WeakPolarHBondContact O-CD 3.26Å; F3-P6 WeakPolarHBondContact O-CG 3.23Å; P6-I8 PolarHBondContact O-N 3.32Å; P6-H9 CarbonylContact O-C 3.54Å; P6-H9 PolarHBondContact O-N 3.25Å; P6-Y10 HydrophobicContact CB-CD2 4.2Å; P6-Y10 HydrophobicContact CB-CE2 4.14Å; P6-Y10 WeakPolarHBondContact O-CB 3.06Å; P6-Y10 WeakPolarHBondContact O-CD2 3.39Å; P6-Y10 PolarHBondContact O-N 3.47Å
7	F	54.4	Low	55.6	Low	13 Å²	13	98.3 Å²	98.3	6%	0.057	48%	0.483	C	S	.	.	H	α-helix	trans	-61	-47.7	179.4	-175.8	-90	0	0	0	112.3	H4 H9 Y10 I11 I401 F542 Y546	H4-F7 PolarHBondContact O-N 3.16Å; F7-H9 VanDerWaalsContact C-N 3.32Å; F7-H9 PolarHBondContact O-N 2.92Å; F7-Y10 PolarHBondContact O-N 2.83Å; F7-I11 HydrophobicContact CD1-CD1 3.67Å; F7-I11 HydrophobicContact CE1-CD1 3.21Å; F7-I11 HydrophobicContact CE1-CG1 4.44Å; F7-I11 HydrophobicContact CE2-CD1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.36Å; F7-I11 HydrophobicContact CZ-CD1 3.57Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.45Å; F7-I401 HydrophobicContact CE1-CG2 3.97Å; F7-F542 AromaticContact CD2-CE1 3.59Å; F7-F542 HydrophobicContact CD2-CE1 3.59Å; F7-F542 AromaticContact CD2-CZ 3.74Å; F7-F542 HydrophobicContact CD2-CZ 3.74Å; F7-F542 HydrophobicContact CE1-CE1 4.35Å; F7-F542 AromaticContact CE2-CD1 3.79Å; F7-F542 HydrophobicContact CE2-CD1 3.79Å; F7-F542 AromaticContact CE2-CE1 2.93Å; F7-F542 HydrophobicContact CE2-CE1 2.93Å; F7-F542 AromaticContact CE2-CZ 3.39Å; F7-F542 HydrophobicContact CE2-CZ 3.39Å; F7-F542 AromaticContact CZ-CD1 3.87Å; F7-F542 HydrophobicContact CZ-CD1 3.87Å; F7-F542 AromaticContact CZ-CE1 3.38Å; F7-F542 HydrophobicContact CZ-CE1 3.38Å; F7-F542 HydrophobicContact CZ-CZ 4.27Å; F7-Y546 HydrophobicContact CD2-CD2 4.37Å; F7-Y546 HydrophobicContact CD2-CE1 4.41Å; F7-Y546 HydrophobicContact CD2-CE2 4.25Å; F7-Y546 AromaticContact CE2-CD1 3.9Å; F7-Y546 HydrophobicContact CE2-CD1 3.9Å; F7-Y546 HydrophobicContact CE2-CD2 4.08Å; F7-Y546 HydrophobicContact CE2-CE1 4.18Å; F7-Y546 HydrophobicContact CE2-CE2 4.36Å; F7-Y546 AromaticContact CE2-CG 3.84Å; F7-Y546 HydrophobicContact CE2-CG 3.84Å; F7-Y546 HydrophobicContact CZ-CD1 4.4Å
8	I	59.7	Low	55.4	Low	67 Å²	67	94.3 Å²	94.3	34%	0.344	47%	0.468	S	S	.	.	H	α-helix	trans	-62.9	-42.2	174.9	-64.7	167.5	0	0	0	109.6	H4 P6 L12 I396	H4-I8 HydrophobicContact CB-CD1 4.48Å; H4-I8 WeakPolarHBondContact O-CG1 3.34Å; H4-I8 PolarHBondContact O-N 3.33Å; P6-I8 PolarHBondContact O-N 3.32Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.2Å; I8-I396 HydrophobicContact CD1-CD1 4.16Å
9	H	64.3	Low	55.3	Low	132 Å²	132	91.9 Å²	91.9	61%	0.611	46%	0.459	S	S	*	.	H	α-helix	trans	-63.3	-43.8	176.1	-104.6	-61.4	0	0	0	113.3	T5 P6 F7 L13	T5-H9 WeakPolarHBondContact O-CB 3.28Å; T5-H9 PolarHBondContact O-N 3.36Å; P6-H9 CarbonylContact O-C 3.54Å; P6-H9 PolarHBondContact O-N 3.25Å; F7-H9 VanDerWaalsContact C-N 3.32Å; F7-H9 PolarHBondContact O-N 2.92Å; H9-L13 WeakPolarHBondContact O-CA 3.35Å; H9-L13 WeakPolarHBondContact O-CB 3.25Å; H9-L13 PolarHBondContact O-N 2.89Å
10	Y	63.6	Low	55.2	Low	160 Å²	160	94.2 Å²	94.2	63%	0.627	47%	0.466	S	S	*	.	H	α-helix	trans	-66.5	-40.7	-179.5	-82.8	-68.8	0	0	0	111.3	P6 F7 L13 I14	P6-Y10 HydrophobicContact CB-CD2 4.2Å; P6-Y10 HydrophobicContact CB-CE2 4.14Å; P6-Y10 WeakPolarHBondContact O-CB 3.06Å; P6-Y10 WeakPolarHBondContact O-CD2 3.39Å; P6-Y10 PolarHBondContact O-N 3.47Å; F7-Y10 PolarHBondContact O-N 2.83Å; Y10-L13 WeakPolarHBondContact O-CB 3.2Å; Y10-L13 PolarHBondContact O-N 2.87Å; Y10-I14 WeakPolarHBondContact O-CG1 3.45Å; Y10-I14 PolarHBondContact O-N 3.31Å
11	I	57.4	Low	55	Low	16 Å²	16	94 Å²	94	8%	0.082	47%	0.466	C	S	.	.	H	α-helix	trans	-75.7	-38.9	177.1	-53.6	168.7	0	0	0	111.4	F7 L13 I14 F15 F405 F542	F7-I11 HydrophobicContact CD1-CD1 3.67Å; F7-I11 HydrophobicContact CE1-CD1 3.21Å; F7-I11 HydrophobicContact CE1-CG1 4.44Å; F7-I11 HydrophobicContact CE2-CD1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.36Å; F7-I11 HydrophobicContact CZ-CD1 3.57Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.45Å; I11-L13 PolarHBondContact O-N 2.99Å; I11-I14 CarbonylContact O-C 3.46Å; I11-I14 PolarHBondContact O-N 2.86Å; I11-I14 VanDerWaalsContact O-N 3.12Å; I11-F15 WeakPolarHBondContact O-CB 3.19Å; I11-F15 PolarHBondContact O-N 2.99Å; I11-F405 HydrophobicContact CB-CE1 4Å; I11-F405 HydrophobicContact CB-CZ 3.65Å; I11-F405 HydrophobicContact CD1-CE1 4.35Å; I11-F405 HydrophobicContact CD1-CE2 3.78Å; I11-F405 HydrophobicContact CD1-CZ 3.57Å; I11-F405 HydrophobicContact CG1-CZ 4.25Å; I11-F405 HydrophobicContact CG2-CD1 4.17Å; I11-F405 HydrophobicContact CG2-CE1 3.18Å; I11-F405 HydrophobicContact CG2-CE2 4.47Å; I11-F405 HydrophobicContact CG2-CZ 3.38Å; I11-F542 HydrophobicContact CD1-CD1 4.17Å; I11-F542 HydrophobicContact CD1-CE1 3.89Å; I11-F542 HydrophobicContact CG1-CD1 4.48Å; I11-F542 HydrophobicContact CG1-CE1 4.04Å
12	L	59.4	Low	55.3	Low	87 Å²	87	84.4 Å²	84.4	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-36.7	172.2	-160.4	102.6	0	0	0	110.2	I8 F15 L16	I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.2Å; L12-F15 PolarHBondContact O-N 2.75Å; L12-L16 HydrophobicContact CD2-CD1 3.89Å; L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.44Å
13	L	64	Low	55.5	Low	93 Å²	93	81 Å²	81	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-43.2	172.6	-167.7	93.3	0	0	0	110.9	H9 Y10 I11 F15 L16 L17	H9-L13 WeakPolarHBondContact O-CA 3.35Å; H9-L13 WeakPolarHBondContact O-CB 3.25Å; H9-L13 PolarHBondContact O-N 2.89Å; Y10-L13 WeakPolarHBondContact O-CB 3.2Å; Y10-L13 PolarHBondContact O-N 2.87Å; I11-L13 PolarHBondContact O-N 2.99Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-L16 CarbonylContact O-C 3.49Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-L17 HydrophobicContact CD2-CD1 4.14Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.82Å
14	I	62.6	Low	55.4	Low	89 Å²	89	78.4 Å²	78.4	46%	0.456	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-41.3	174.2	-70.3	161.5	0	0	0	110.7	Y10 I11 L17 A18	Y10-I14 WeakPolarHBondContact O-CG1 3.45Å; Y10-I14 PolarHBondContact O-N 3.31Å; I11-I14 CarbonylContact O-C 3.46Å; I11-I14 PolarHBondContact O-N 2.86Å; I11-I14 VanDerWaalsContact O-N 3.12Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 2.78Å; I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.33Å; I14-A18 PolarHBondContact O-N 3.35Å
15	F	53.4	Low	55.2	Low	80 Å²	80	83.5 Å²	83.5	35%	0.351	42%	0.419	S	S	.	.	H	α-helix	trans	-68.9	-39.6	176.5	-169.4	-94.9	0	0	0	111.5	I11 L12 L13 L17 A18 T19 I408	I11-F15 WeakPolarHBondContact O-CB 3.19Å; I11-F15 PolarHBondContact O-N 2.99Å; L12-F15 PolarHBondContact O-N 2.75Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-L17 VanDerWaalsContact C-N 3.35Å; F15-A18 PolarHBondContact O-N 3.48Å; F15-T19 HydrophobicContact CD1-CG2 4.14Å; F15-T19 HydrophobicContact CE1-CG2 3.84Å; F15-T19 HydrophobicContact CZ-CG2 4.24Å; F15-T19 WeakPolarHBondContact O-CB 3.4Å; F15-T19 WeakPolarHBondContact O-CG2 3.36Å; F15-T19 PolarHBondContact O-N 2.79Å; F15-T19 PolarHBondContact O-OG1 2.77Å; F15-I408 HydrophobicContact CD2-CG2 4.17Å; F15-I408 HydrophobicContact CE1-CG2 4.34Å; F15-I408 HydrophobicContact CE2-CG2 3.65Å; F15-I408 HydrophobicContact CZ-CG2 3.75Å
16	L	61.3	Low	54.6	Low	89 Å²	89	81.8 Å²	81.8	47%	0.466	41%	0.41	S	S	.	.	H	α-helix	trans	-67.6	-33.8	172.5	-74.5	171.2	0	0	0	112	L12 L13 T19 K20	L12-L16 HydrophobicContact CD2-CD1 3.89Å; L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.44Å; L13-L16 CarbonylContact O-C 3.49Å; L13-L16 PolarHBondContact O-N 3.37Å; L16-T19 WeakPolarHBondContact CA-OG1 3.33Å; L16-T19 PolarHBondContact O-OG1 2.84Å; L16-T19 VanDerWaalsContact O-OG1 3.11Å; L16-K20 WeakPolarHBondContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CG 3.21Å; L16-K20 PolarHBondContact O-N 3.31Å
17	L	57.9	Low	53.8	Low	88 Å²	88	86.2 Å²	86.2	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-72.7	-40.3	173.8	-110.5	142.8	0	0	0	110.7	L13 I14 F15 K20 L21	L13-L17 HydrophobicContact CD2-CD1 4.14Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.82Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 2.78Å; F15-L17 VanDerWaalsContact C-N 3.35Å; L17-K20 PolarHBondContact O-N 3.05Å; L17-L21 HydrophobicContact CD2-CD1 4.03Å; L17-L21 WeakPolarHBondContact O-CA 3.44Å; L17-L21 WeakPolarHBondContact O-CB 3.05Å; L17-L21 WeakPolarHBondContact O-CD1 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.35Å; L17-L21 PolarHBondContact O-N 2.81Å
18	A	52.7	Low	52.8	Low	26 Å²	26	91.2 Å²	91.2	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-67.4	-43.8	176.3	0	0	0	0	0	110.7	I14 F15 L21 F22	I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.33Å; I14-A18 PolarHBondContact O-N 3.35Å; F15-A18 PolarHBondContact O-N 3.48Å; A18-L21 PolarHBondContact O-N 3.19Å; A18-F22 WeakPolarHBondContact O-CB 3.28Å; A18-F22 PolarHBondContact O-N 2.83Å
19	T	53	Low	51.6	Low	49 Å²	49	93.4 Å²	93.4	30%	0.301	48%	0.476	S	S	.	.	H	α-helix	trans	-67.7	-38.4	173.3	49.7	0	0	0	0	111.9	F15 L16 L23	F15-T19 HydrophobicContact CD1-CG2 4.14Å; F15-T19 HydrophobicContact CE1-CG2 3.84Å; F15-T19 HydrophobicContact CZ-CG2 4.24Å; F15-T19 WeakPolarHBondContact O-CB 3.4Å; F15-T19 WeakPolarHBondContact O-CG2 3.36Å; F15-T19 PolarHBondContact O-N 2.79Å; F15-T19 PolarHBondContact O-OG1 2.77Å; L16-T19 WeakPolarHBondContact CA-OG1 3.33Å; L16-T19 PolarHBondContact O-OG1 2.84Å; L16-T19 VanDerWaalsContact O-OG1 3.11Å; T19-L23 VanDerWaalsContact O-CB 3.29Å; T19-L23 WeakPolarHBondContact O-CB 3.12Å; T19-L23 WeakPolarHBondContact O-CG 3.47Å; T19-L23 PolarHBondContact O-N 2.86Å
20	K	52.5	Low	49.9	Very low	138 Å²	138	92.5 Å²	92.5	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-65.8	-43.9	170.8	-88.4	-174.2	172.6	-176.2	0	112.5	L16 L17 F22 L23 I24	L16-K20 WeakPolarHBondContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CG 3.21Å; L16-K20 PolarHBondContact O-N 3.31Å; L17-K20 PolarHBondContact O-N 3.05Å; K20-F22 VanDerWaalsContact C-N 3.3Å; K20-F22 PolarHBondContact O-N 3.2Å; K20-L23 CarbonylContact O-C 3.46Å; K20-L23 PolarHBondContact O-N 3.44Å; K20-I24 HydrophobicContact CB-CD1 4.24Å; K20-I24 VanDerWaalsContact O-CB 3.23Å; K20-I24 WeakPolarHBondContact O-CB 3.25Å; K20-I24 WeakPolarHBondContact O-CD1 3.25Å; K20-I24 WeakPolarHBondContact O-CG1 3.29Å; K20-I24 PolarHBondContact O-N 3.4Å
21	L	52.2	Low	48.3	Very low	90 Å²	90	91.3 Å²	91.3	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.9	-85.5	157.2	0	0	0	110.2	L17 A18 I24 Q25	L17-L21 HydrophobicContact CD2-CD1 4.03Å; L17-L21 WeakPolarHBondContact O-CA 3.44Å; L17-L21 WeakPolarHBondContact O-CB 3.05Å; L17-L21 WeakPolarHBondContact O-CD1 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.35Å; L17-L21 PolarHBondContact O-N 2.81Å; A18-L21 PolarHBondContact O-N 3.19Å; L21-I24 PolarHBondContact O-N 2.86Å; L21-Q25 WeakPolarHBondContact O-CB 3.14Å; L21-Q25 PolarHBondContact O-N 3.4Å
22	F	46.6	Very low	47.5	Very low	35 Å²	35	95.9 Å²	95.9	15%	0.154	52%	0.52	C	S	.	.	H	α-helix	trans	-60.8	-45.8	171.9	-173.6	-99.4	0	0	0	111.5	A18 K20 I24 C26 I524 L531	A18-F22 WeakPolarHBondContact O-CB 3.28Å; A18-F22 PolarHBondContact O-N 2.83Å; K20-F22 VanDerWaalsContact C-N 3.3Å; K20-F22 PolarHBondContact O-N 3.2Å; F22-I24 PolarHBondContact O-N 3.09Å; F22-C26 WeakPolarHBondContact O-CB 3.4Å; F22-C26 PolarHBondContact O-N 3.17Å; F22-C26 PolarHBondContact O-SG 3.34Å; F22-C26 VanDerWaalsContact O-SG 3.34Å; F22-I524 HydrophobicContact CE2-CG2 4.24Å; F22-I524 HydrophobicContact CZ-CG2 3.63Å; F22-L531 HydrophobicContact CD2-CD2 3.75Å; F22-L531 HydrophobicContact CE2-CD2 4.36Å
23	L	47.2	Very low	45.9	Very low	92 Å²	92	98.4 Å²	98.4	48%	0.482	53%	0.534	S	S	.	.	H	α-helix	trans	-71.7	-23.6	176.1	-71.6	169.2	0	0	0	114.3	T19 K20 I28	T19-L23 VanDerWaalsContact O-CB 3.29Å; T19-L23 WeakPolarHBondContact O-CB 3.12Å; T19-L23 WeakPolarHBondContact O-CG 3.47Å; T19-L23 PolarHBondContact O-N 2.86Å; K20-L23 CarbonylContact O-C 3.46Å; K20-L23 PolarHBondContact O-N 3.44Å; L23-I28 HydrophobicContact CD2-CD1 4.24Å
24	I	46.2	Very low	44.3	Very low	120 Å²	120	102 Å²	102	62%	0.615	55%	0.551	S	S	*	*	H	α-helix	trans	-86.1	-37.3	178.6	-72.2	162.2	0	0	0	110.3	K20 L21 F22 C26	K20-I24 HydrophobicContact CB-CD1 4.24Å; K20-I24 VanDerWaalsContact O-CB 3.23Å; K20-I24 WeakPolarHBondContact O-CB 3.25Å; K20-I24 WeakPolarHBondContact O-CD1 3.25Å; K20-I24 WeakPolarHBondContact O-CG1 3.29Å; K20-I24 PolarHBondContact O-N 3.4Å; L21-I24 PolarHBondContact O-N 2.86Å; F22-I24 PolarHBondContact O-N 3.09Å; I24-C26 VanDerWaalsContact C-N 3.34Å
25	Q	45.9	Very low	42.5	Very low	152 Å²	152	107 Å²	107	71%	0.71	57%	0.572	S	S	*	*	H	α-helix	trans	-70.3	-32.9	171.9	-79.9	178.5	-47.4	0	0	111.6	L21 N27	L21-Q25 WeakPolarHBondContact O-CB 3.14Å; L21-Q25 PolarHBondContact O-N 3.4Å; Q25-N27 PolarHBondContact O-N 3.13Å
26	C	39.7	Very low	41.2	Very low	47 Å²	47	108.3 Å²	108.3	32%	0.318	59%	0.592	S	S	.	*	S	Bend	trans	-72.7	83.3	162	-69.3	0	0	0	0	109	F22 I24 I28	F22-C26 WeakPolarHBondContact O-CB 3.4Å; F22-C26 PolarHBondContact O-N 3.17Å; F22-C26 PolarHBondContact O-SG 3.34Å; F22-C26 VanDerWaalsContact O-SG 3.34Å; I24-C26 VanDerWaalsContact C-N 3.34Å; C26-I28 WeakPolarHBondContact O-CG1 3.49Å; C26-I28 PolarHBondContact O-N 2.79Å
27	N	35.7	Very low	39.6	Very low	148 Å²	148	109.5 Å²	109.5	79%	0.791	61%	0.608	S	S	*	*			trans	-52.2	95.1	177.3	-147.4	10.5	0	0	0	110.1	Q25 P29	Q25-N27 PolarHBondContact O-N 3.13Å; N27-P29 VanDerWaalsContact O-CD 3.28Å; N27-P29 WeakPolarHBondContact O-CD 3.33Å
28	I	34.6	Very low	37.9	Very low	117 Å²	117	116.5 Å²	116.5	60%	0.6	63%	0.63	S	S	*	*			trans	-92.9	101.3	175.8	-67	151.9	0	0	0	106.4	L23 C26 S30	L23-I28 HydrophobicContact CD2-CD1 4.24Å; C26-I28 WeakPolarHBondContact O-CG1 3.49Å; C26-I28 PolarHBondContact O-N 2.79Å; I28-S30 PolarHBondContact O-N 3.18Å
29	P	33.2	Very low	36.6	Very low	114 Å²	114	122.3 Å²	122.3	74%	0.74	66%	0.657	S	S	*	*			trans	-78.3	108.2	172.3	13.5	3.3	0	0	0	107.4	N27 N31	N27-P29 VanDerWaalsContact O-CD 3.28Å; N27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-N31 PolarHBondContact O-N 3.36Å; P29-N31 VanDerWaalsContact O-N 3.16Å
30	S	28.6	Very low	35.3	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	68%	0.677	S	S	*	*			trans	-71.4	98.2	163.8	43.2	0	0	0	0	108.1	I28	I28-S30 PolarHBondContact O-N 3.18Å
31	N	31	Very low	33.9	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	69%	0.688	S	S	*	*			trans	-117.8	105.2	163.8	-160.5	0.3	0	0	0	109.4	P29 N33	P29-N31 PolarHBondContact O-N 3.36Å; P29-N31 VanDerWaalsContact O-N 3.16Å; N31-N33 PolarHBondContact O-N 3.41Å
32	P	39.4	Very low	32.7	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	71%	0.705	S	S	*	*			trans	-88.8	77.9	-176.3	34.9	-29.9	0	0	0	109
33	N	26.7	Very low	31.8	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	74%	0.737	S	S	*	*			trans	-160	60.3	173.4	-90.1	-31.8	0	0	0	112.6	N31	N31-N33 PolarHBondContact O-N 3.41Å
34	I	30	Very low	31	Very low	167 Å²	167	142.1 Å²	142.1	86%	0.856	75%	0.753	S	S	*	*			trans	-140.7	84.1	155.2	-54.5	179	0	0	0	107.5
35	H	24.7	Very low	29.9	Very low	194 Å²	194	143 Å²	143	90%	0.898	76%	0.759	S	S	*	*			trans	-132.1	58.2	175.1	-138.4	-66.7	0	0	0	109.4
36	S	25.9	Very low	29	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	77%	0.765	S	S	*	*	S	Bend	trans	-172.1	80.2	165	57.2	0	0	0	0	112.7
37	S	27.2	Very low	28.4	Very low	114 Å²	114	148 Å²	148	80%	0.797	79%	0.785	S	S	*	*			trans	178	62.9	144.6	57.1	0	0	0	0	110.4
38	Y	23.5	Very low	27.9	Very low	235 Å²	235	151.9 Å²	151.9	92%	0.922	79%	0.79	S	S	*	*			trans	-111.1	94.5	161.4	-103.6	-90.8	0	0	0	106.9
39	N	24.6	Very low	27.4	Very low	148 Å²	148	155.4 Å²	155.4	79%	0.791	80%	0.804	S	S	*	*			trans	-149.2	91.9	164.4	-97.8	-25.8	0	0	0	109.3
40	I	25.1	Very low	26.9	Very low	141 Å²	141	158.8 Å²	158.8	72%	0.723	81%	0.81	S	S	*	*				47.3	118.3	127.3	-58.7	164.7	0	0	0	118
41	R	24.3	Very low	26.8	Very low	221 Å²	221	160.8 Å²	160.8	83%	0.834	81%	0.811	S	S	*	*				136.6	107.3	125.9	-111.3	169.7	-153.8	-174.5	5.6	112.9
42	N	27.3	Very low	26.6	Very low	153 Å²	153	162.7 Å²	162.7	82%	0.818	82%	0.815	S	S	*	*				157.5	88.6	127.7	-78.6	-10.5	0	0	0	110
43	Q	27.8	Very low	25.8	Very low	178 Å²	178	165.3 Å²	165.3	83%	0.832	82%	0.823	S	S	*	*			trans	-85.4	127.5	160	-77.8	174.9	-37	0	0	108.4
44	P	28.9	Very low	25.7	Very low	127 Å²	127	163.3 Å²	163.3	83%	0.825	82%	0.82	S	S	*	*			trans	-84.4	107.6	156.3	30.6	-21.8	0	0	0	108.1
45	N	24.5	Very low	25.4	Very low	137 Å²	137	162 Å²	162	73%	0.733	81%	0.814	S	S	*	*			trans	-68.1	158.3	151.8	-83.3	-31.4	0	0	0	109
46	I	27.1	Very low	25.5	Very low	164 Å²	164	159.5 Å²	159.5	84%	0.841	81%	0.806	S	S	*	*			trans	97.8	90.9	174.6	-49.4	155.8	0	0	0	112.6
47	L	25.8	Very low	25.8	Very low	140 Å²	140	159.9 Å²	159.9	73%	0.733	81%	0.807	S	S	*	*	S	Bend		178.7	44.4	116.7	-155.1	83.7	0	0	0	113.6
48	Y	25.4	Very low	25.6	Very low	230 Å²	230	160 Å²	160	90%	0.902	80%	0.802	S	S	*	*	S	Bend	trans	-148.3	49.3	167.9	-78.2	-72.8	0	0	0	112.8
49	Q	24	Very low	25.6	Very low	192 Å²	192	156.9 Å²	156.9	90%	0.897	80%	0.801	S	S	*	*			trans	-141	76.7	163.5	-80.2	-171.3	-20.2	0	0	109.3
50	Q	24	Very low	25.5	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.864	80%	0.799	S	S	*	*			trans	-172.7	95.9	156.2	-107.6	172.5	-0.3	0	0	106.2
51	I	26.3	Very low	25.4	Very low	155 Å²	155	155.2 Å²	155.2	80%	0.795	80%	0.796	S	S	*	*	S	Bend	trans	-178.7	117.3	141.9	-86.4	148.1	0	0	0	105.4
52	Q	26.3	Very low	25.4	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	79%	0.794	S	S	*	*			trans	88	64.8	164.3	-68.4	170.6	0.1	0	0	118.5
53	D	21.9	Very low	25.3	Very low	166 Å²	166	153.1 Å²	153.1	89%	0.888	80%	0.795	S	S	*	*				-69.4	127.2	127.1	-78.4	-42.6	0	0	0	109.8
54	S	25.9	Very low	25.8	Very low	99 Å²	99	149 Å²	149	69%	0.692	78%	0.784	S	S	*	*			trans	-173	97.4	139.1	55.1	0	0	0	0	112.2
55	N	23.9	Very low	25.5	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	78%	0.784	S	S	*	*				75.7	114.2	120.7	-70	-12.1	0	0	0	124.3
56	I	26.3	Very low	25.4	Very low	142 Å²	142	154.8 Å²	154.8	73%	0.728	79%	0.793	S	S	*	*				80.6	144	118.3	-64	169.8	0	0	0	118.8
57	P	31.6	Very low	25.3	Very low	118 Å²	118	158.3 Å²	158.3	77%	0.766	80%	0.795	S	S	*	*			cis	-138	174.5	-33.3	37.7	-16.7	0	0	0	114.9
58	V	22.3	Very low	25.3	Very low	116 Å²	116	156 Å²	156	70%	0.703	79%	0.79	S	S	*	*			trans	-94.2	142.7	173.7	171.9	0	0	0	0	110.1
59	D	24.1	Very low	25.2	Very low	170 Å²	170	150.3 Å²	150.3	91%	0.909	79%	0.785	S	S	*	*			trans	-133.7	136	159.6	-127.4	-16.4	0	0	0	111
60	H	23.5	Very low	25.3	Very low	158 Å²	158	145.8 Å²	145.8	73%	0.731	77%	0.774	S	S	*	*			trans	-116	154.1	-166.7	-105.5	-70.7	0	0	0	111.1
61	S	23.4	Very low	25.4	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	77%	0.766	S	S	*	*			trans	99.4	117.4	138.4	74.5	0	0	0	0	121.9
62	N	24	Very low	25.5	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	76%	0.762	S	S	*	*				79.7	107.3	124.1	-63.1	-8.6	0	0	0	123.1
63	Q	25.2	Very low	25.4	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	76%	0.755	S	S	*	*				9.7	173.2	110.7	-86.5	-171	-2.2	0	0	120.1
64	P	37	Very low	25.6	Very low	91 Å²	91	132.4 Å²	132.4	59%	0.591	75%	0.747	S	S	*	*			cis	-143.3	-169.7	-29.6	35.5	-13.7	0	0	0	114.2
65	N	24.2	Very low	25.5	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	75%	0.746	S	S	*	*			trans	126.9	126.4	130.2	-83.6	-13.9	0	0	0	121.7
66	Y	22.3	Very low	25.6	Very low	232 Å²	232	130.7 Å²	130.7	91%	0.91	75%	0.746	S	S	*	*			trans	-83.5	161.4	168.5	-93.7	-104.1	0	0	0	113.5
67	R	24.8	Very low	25.6	Very low	237 Å²	237	128.6 Å²	128.6	89%	0.894	74%	0.744	S	S	*	*			trans	-177.8	121.5	143.8	-98.8	178.8	-179	-164.2	-0.6	107.3
68	S	24.5	Very low	25.3	Very low	91 Å²	91	128.2 Å²	128.2	64%	0.636	74%	0.744	S	S	*	*			cis	93.1	115.6	49.3	73.5	0	0	0	0	114.8
69	S	24.2	Very low	25.5	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	75%	0.749	S	S	*	*			trans	60	150	134.9	66.8	0	0	0	0	118.9
70	S	26.2	Very low	25.5	Very low	97 Å²	97	124.7 Å²	124.7	68%	0.678	74%	0.738	S	S	*	*			cis	-178	137.8	37.2	47.4	0	0	0	0	107.9
71	S	26.5	Very low	25.5	Very low	98 Å²	98	122.1 Å²	122.1	69%	0.685	74%	0.738	S	S	*	*				79	126.6	105	82.5	0	0	0	0	116.6
72	S	27	Very low	25.5	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	74%	0.738	S	S	*	*				101.5	145.2	103.4	57.6	0	0	0	0	111.5
73	S	25.2	Very low	25.5	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	74%	0.738	S	S	*	*			cis	177.8	168.1	-5.9	47.4	0	0	0	0	106.9
74	S	25.1	Very low	25.6	Very low	103 Å²	103	117.7 Å²	117.7	72%	0.72	74%	0.738	S	S	*	*			trans	68.1	147.6	139.3	58.3	0	0	0	0	118.2
75	S	25.4	Very low	25.3	Very low	96 Å²	96	119 Å²	119	67%	0.671	75%	0.75	S	S	*	*			cis	-178.2	161.1	14.9	28.6	0	0	0	0	110.4
76	S	24.6	Very low	25.6	Very low	105 Å²	105	118 Å²	118	73%	0.734	75%	0.751	S	S	*	*			trans	64	153.2	139.3	63	0	0	0	0	118.3
77	S	26.3	Very low	25.7	Very low	97 Å²	97	112.4 Å²	112.4	68%	0.678	75%	0.747	S	S	*	*			cis	-174	132.8	28.9	5.4	0	0	0	0	105.6
78	S	24.7	Very low	25.8	Very low	111 Å²	111	109.1 Å²	109.1	78%	0.776	75%	0.746	S	S	*	*				60.2	122.3	87.2	74.8	0	0	0	0	117.3
79	S	26.7	Very low	26.2	Very low	116 Å²	116	110.7 Å²	110.7	81%	0.811	75%	0.754	S	S	*	*			trans	157.8	152.2	149.1	55.5	0	0	0	0	109.9
80	S	24.5	Very low	26.3	Very low	95 Å²	95	111.7 Å²	111.7	66%	0.664	76%	0.756	S	S	*	*			cis	174	158.1	-13.1	48.1	0	0	0	0	107.5
81	S	22.9	Very low	26.5	Very low	105 Å²	105	112.4 Å²	112.4	73%	0.734	76%	0.761	S	S	*	*			trans	59.7	158.3	146.8	58.7	0	0	0	0	119.4
82	S	23.9	Very low	26.6	Very low	95 Å²	95	113.8 Å²	113.8	66%	0.664	77%	0.765	S	S	*	*			cis	-174.3	133.3	20	25.8	0	0	0	0	107.7
83	S	23.6	Very low	26.9	Very low	116 Å²	116	114.9 Å²	114.9	81%	0.811	77%	0.767	S	S	*	*				35.5	124.6	112.6	66.6	0	0	0	0	120.1
84	S	29.1	Very low	27.5	Very low	120 Å²	120	116.1 Å²	116.1	84%	0.839	77%	0.767	S	S	*	*			trans	-162.3	127.7	152.7	55	0	0	0	0	112.8
85	S	29.1	Very low	28.5	Very low	120 Å²	120	118 Å²	118	84%	0.839	77%	0.769	S	S	*	*			trans	-95.4	151.9	175.9	-27.7	0	0	0	0	111.1
86	P	31.9	Very low	29.5	Very low	132 Å²	132	121.3 Å²	121.3	86%	0.857	77%	0.773	S	S	*	*			trans	-126.5	162.1	161	20.2	1.4	0	0	0	115.3
87	S	24.6	Very low	30.6	Very low	116 Å²	116	122 Å²	122	81%	0.811	77%	0.768	S	S	*	*			trans	-83.7	162.5	-158.1	43	0	0	0	0	118.5
88	L	25.2	Very low	31.6	Very low	167 Å²	167	122.4 Å²	122.4	87%	0.874	76%	0.76	S	S	*	*			trans	-60.6	152.8	172.1	-88.5	77.9	0	0	0	115.4
89	P	33	Very low	32.9	Very low	124 Å²	124	122.2 Å²	122.2	81%	0.805	75%	0.751	S	S	*	*			trans	-119.1	148.9	150.3	30.1	-14.4	0	0	0	114.2
90	T	26.1	Very low	34.2	Very low	134 Å²	134	122.2 Å²	122.2	82%	0.822	74%	0.74	S	S	*	*			trans	-84.8	137.7	176.3	45.6	0	0	0	0	112.6
91	S	30.8	Very low	35.8	Very low	112 Å²	112	120.4 Å²	120.4	78%	0.783	73%	0.725	S	S	*	*			trans	169.7	123.7	131.2	43.9	0	0	0	0	113.5
92	T	28.1	Very low	37.4	Very low	126 Å²	126	119.3 Å²	119.3	77%	0.773	71%	0.711	S	S	*	*			trans	9.4	144.8	144.2	43.1	0	0	0	0	123.1
93	T	33.3	Very low	38.9	Very low	126 Å²	126	120.4 Å²	120.4	77%	0.773	71%	0.709	S	S	*	*			trans	81	92.5	156.1	52.5	0	0	0	0	119.5
94	N	38.7	Very low	40.6	Very low	123 Å²	123	118 Å²	118	66%	0.658	69%	0.689	S	S	*	*			trans	176.9	86	133.1	-89.2	-20.2	0	0	0	112.1	H96 L97 M98	N94-H96 VanDerWaalsContact C-N 3.32Å; N94-H96 PolarHBondContact O-N 2.78Å; N94-L97 HydrophobicContact CB-CB 4.39Å; N94-M98 PolarHBondContact O-N 3.17Å
95	N	46	Very low	41.9	Very low	142 Å²	142	117.4 Å²	117.4	76%	0.759	67%	0.673	S	S	*	*	H	α-helix	trans	-69.1	-19.2	-176.7	-75.5	-6.3	0	0	0	115.1
96	H	47.3	Very low	43.4	Very low	166 Å²	166	118.3 Å²	118.3	77%	0.769	66%	0.662	S	S	*	*	H	α-helix	trans	-86	-29.5	178.7	-106.3	-72.4	0	0	0	113.7	N94	N94-H96 VanDerWaalsContact C-N 3.32Å; N94-H96 PolarHBondContact O-N 2.78Å
97	L	47.4	Very low	44.8	Very low	118 Å²	118	116.2 Å²	116.2	62%	0.618	64%	0.644	S	S	*	*	H	α-helix	trans	-73.5	-35.5	172.8	-145.9	82.2	0	0	0	110.5	N94 N99 I100 T101	N94-L97 HydrophobicContact CB-CB 4.39Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.35Å; L97-I100 PolarHBondContact O-N 3.24Å; L97-T101 PolarHBondContact O-N 3.01Å; L97-T101 PolarHBondContact O-OG1 3.36Å
98	M	47.5	Very low	46.5	Very low	107 Å²	107	116.6 Å²	116.6	53%	0.527	63%	0.633	S	S	.	*	H	α-helix	trans	-54.3	-38.9	174.6	-89.2	-77.5	-153.8	0	0	113.5	N94 T101 N102	N94-M98 PolarHBondContact O-N 3.17Å; M98-T101 VanDerWaalsContact CA-OG1 3.28Å; M98-T101 WeakPolarHBondContact CA-OG1 3.47Å; M98-T101 PolarHBondContact O-OG1 3.48Å; M98-N102 WeakPolarHBondContact O-CB 3.26Å; M98-N102 PolarHBondContact O-N 3.12Å; M98-N102 PolarHBondContact O-ND2 2.87Å; M98-N102 VanDerWaalsContact O-ND2 3.16Å; M98-N102 PolarHBondContact O-OD1 2.9Å
99	N	51.5	Low	48.2	Very low	107 Å²	107	113.9 Å²	113.9	57%	0.572	62%	0.616	S	S	*	*	H	α-helix	trans	-73.1	-37	-179.6	-87.7	-2.6	0	0	0	112.8	L97 L103	L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.35Å; N99-L103 WeakPolarHBondContact O-CB 3.32Å; N99-L103 PolarHBondContact O-N 3.04Å
100	I	54.7	Low	49.7	Very low	116 Å²	116	110.4 Å²	110.4	60%	0.595	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-44.1	176.3	-61.5	176.6	0	0	0	109.6	L97 N102 L103 T104	L97-I100 PolarHBondContact O-N 3.24Å; I100-N102 VanDerWaalsContact C-N 3.33Å; I100-N102 PolarHBondContact O-N 3.41Å; I100-L103 PolarHBondContact O-N 2.73Å; I100-T104 HydrophobicContact CG2-CG2 4.33Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 WeakPolarHBondContact O-CG2 3.39Å; I100-T104 PolarHBondContact O-N 2.77Å; I100-T104 PolarHBondContact O-OG1 3.16Å
101	T	56.5	Low	51.6	Low	57 Å²	57	110.8 Å²	110.8	35%	0.35	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-39.6	174.9	43.9	0	0	0	0	111.9	L97 M98 T104 H105	L97-T101 PolarHBondContact O-N 3.01Å; L97-T101 PolarHBondContact O-OG1 3.36Å; M98-T101 VanDerWaalsContact CA-OG1 3.28Å; M98-T101 WeakPolarHBondContact CA-OG1 3.47Å; M98-T101 PolarHBondContact O-OG1 3.48Å; T101-T104 VanDerWaalsContact CA-OG1 3.26Å; T101-T104 WeakPolarHBondContact CA-OG1 3.43Å; T101-T104 PolarHBondContact O-N 3.42Å; T101-T104 PolarHBondContact O-OG1 2.75Å; T101-H105 VanDerWaalsContact O-CB 3.23Å; T101-H105 WeakPolarHBondContact O-CB 3.41Å; T101-H105 PolarHBondContact O-N 3.37Å
102	N	56.2	Low	53.3	Low	82 Å²	82	110.4 Å²	110.4	44%	0.439	57%	0.571	S	S	.	*	H	α-helix	trans	-66.5	-42.7	175.4	-73.5	-15.8	0	0	0	111.8	M98 I100 H105 F106	M98-N102 WeakPolarHBondContact O-CB 3.26Å; M98-N102 PolarHBondContact O-N 3.12Å; M98-N102 PolarHBondContact O-ND2 2.87Å; M98-N102 VanDerWaalsContact O-ND2 3.16Å; M98-N102 PolarHBondContact O-OD1 2.9Å; I100-N102 VanDerWaalsContact C-N 3.33Å; I100-N102 PolarHBondContact O-N 3.41Å; N102-H105 PolarHBondContact O-N 3.16Å; N102-F106 WeakPolarHBondContact O-CB 3.44Å; N102-F106 PolarHBondContact O-N 3.42Å
103	L	57.2	Low	55	Low	117 Å²	117	110.3 Å²	110.3	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-65.9	-39.8	175.4	-128	86.9	0	0	0	111.6	N99 I100 F106 N107	N99-L103 WeakPolarHBondContact O-CB 3.32Å; N99-L103 PolarHBondContact O-N 3.04Å; I100-L103 PolarHBondContact O-N 2.73Å; L103-F106 PolarHBondContact O-N 2.95Å; L103-N107 WeakPolarHBondContact O-CB 3.46Å; L103-N107 PolarHBondContact O-N 2.96Å; L103-N107 PolarHBondContact O-ND2 3.24Å
104	T	57.5	Low	56.4	Low	65 Å²	65	109.4 Å²	109.4	40%	0.399	55%	0.552	S	S	.	*	H	α-helix	trans	-68.3	-37.4	175.1	54.9	0	0	0	0	111.5	I100 T101 Q108	I100-T104 HydrophobicContact CG2-CG2 4.33Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 WeakPolarHBondContact O-CG2 3.39Å; I100-T104 PolarHBondContact O-N 2.77Å; I100-T104 PolarHBondContact O-OG1 3.16Å; T101-T104 VanDerWaalsContact CA-OG1 3.26Å; T101-T104 WeakPolarHBondContact CA-OG1 3.43Å; T101-T104 PolarHBondContact O-N 3.42Å; T101-T104 PolarHBondContact O-OG1 2.75Å; T104-Q108 WeakPolarHBondContact O-CB 3.29Å; T104-Q108 VanDerWaalsContact O-CG 3.25Å; T104-Q108 WeakPolarHBondContact O-CG 3.37Å; T104-Q108 PolarHBondContact O-N 2.81Å
105	H	57.2	Low	57.6	Low	108 Å²	108	108.2 Å²	108.2	50%	0.5	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-42.3	174.4	-103.1	-71.7	0	0	0	111.4	T101 N102 Q108 Q109	T101-H105 VanDerWaalsContact O-CB 3.23Å; T101-H105 WeakPolarHBondContact O-CB 3.41Å; T101-H105 PolarHBondContact O-N 3.37Å; N102-H105 PolarHBondContact O-N 3.16Å; H105-Q108 PolarHBondContact O-N 3.31Å; H105-Q109 WeakPolarHBondContact O-CB 3.43Å; H105-Q109 PolarHBondContact O-N 3.4Å
106	F	60.7	Low	58.4	Low	140 Å²	140	105.7 Å²	105.7	61%	0.614	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-46.7	175.4	-125.2	-85.6	0	0	0	110.6	N102 L103 Q108 Q109 T110	N102-F106 WeakPolarHBondContact O-CB 3.44Å; N102-F106 PolarHBondContact O-N 3.42Å; L103-F106 PolarHBondContact O-N 2.95Å; F106-Q108 VanDerWaalsContact C-N 3.31Å; F106-Q108 PolarHBondContact O-N 3.44Å; F106-Q109 PolarHBondContact O-N 3.3Å; F106-T110 HydrophobicContact CD1-CG2 4.41Å; F106-T110 WeakPolarHBondContact O-CG2 3.32Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.14Å; F106-T110 VanDerWaalsContact O-OG1 3.05Å
107	N	61.7	Low	59.1	Low	87 Å²	87	104.1 Å²	104.1	47%	0.465	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-32.1	176.7	-75.7	-22.9	0	0	0	112.6	L103 T110 K111	L103-N107 WeakPolarHBondContact O-CB 3.46Å; L103-N107 PolarHBondContact O-N 2.96Å; L103-N107 PolarHBondContact O-ND2 3.24Å; N107-T110 WeakPolarHBondContact CA-OG1 3.08Å; N107-T110 PolarHBondContact O-OG1 2.78Å; N107-K111 WeakPolarHBondContact O-CB 3.3Å; N107-K111 VanDerWaalsContact O-CG 3.25Å; N107-K111 WeakPolarHBondContact O-CG 3.35Å; N107-K111 PolarHBondContact O-N 2.89Å
108	Q	60	Low	60	Low	124 Å²	124	102.9 Å²	102.9	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-71.8	-39.2	171.6	-83.2	177.4	-14.3	0	0	111.1	T104 H105 F106 L112	T104-Q108 WeakPolarHBondContact O-CB 3.29Å; T104-Q108 VanDerWaalsContact O-CG 3.25Å; T104-Q108 WeakPolarHBondContact O-CG 3.37Å; T104-Q108 PolarHBondContact O-N 2.81Å; H105-Q108 PolarHBondContact O-N 3.31Å; F106-Q108 VanDerWaalsContact C-N 3.31Å; F106-Q108 PolarHBondContact O-N 3.44Å; Q108-L112 WeakPolarHBondContact O-CB 3.4Å; Q108-L112 PolarHBondContact O-N 2.78Å
109	Q	61	Low	61.4	Low	111 Å²	111	105.1 Å²	105.1	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-68.1	-42.2	176.2	-91.2	173.4	-29	0	0	112.4	H105 F106 L112 Q113	H105-Q109 WeakPolarHBondContact O-CB 3.43Å; H105-Q109 PolarHBondContact O-N 3.4Å; F106-Q109 PolarHBondContact O-N 3.3Å; Q109-L112 PolarHBondContact O-N 2.82Å; Q109-Q113 WeakPolarHBondContact O-CB 3.46Å; Q109-Q113 WeakPolarHBondContact O-CG 3.17Å; Q109-Q113 PolarHBondContact O-N 2.88Å
110	T	64.4	Low	62.7	Low	51 Å²	51	102.2 Å²	102.2	31%	0.313	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-44.6	174.9	52.5	0	0	0	0	110.9	F106 N107 L112 Q113 D114	F106-T110 HydrophobicContact CD1-CG2 4.41Å; F106-T110 WeakPolarHBondContact O-CG2 3.32Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.14Å; F106-T110 VanDerWaalsContact O-OG1 3.05Å; N107-T110 WeakPolarHBondContact CA-OG1 3.08Å; N107-T110 PolarHBondContact O-OG1 2.78Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.11Å; T110-Q113 CarbonylContact O-C 3.57Å; T110-Q113 PolarHBondContact O-N 3.21Å; T110-D114 WeakPolarHBondContact O-CB 3.33Å; T110-D114 VanDerWaalsContact O-CG 3.23Å; T110-D114 PolarHBondContact O-N 3.02Å
111	K	65.5	Low	64.2	Low	142 Å²	142	99.1 Å²	99.1	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-60	-41	171.6	-80.5	-178.1	176.7	-175.8	0	112.7	N107 D114 E115	N107-K111 WeakPolarHBondContact O-CB 3.3Å; N107-K111 VanDerWaalsContact O-CG 3.25Å; N107-K111 WeakPolarHBondContact O-CG 3.35Å; N107-K111 PolarHBondContact O-N 2.89Å; K111-D114 PolarHBondContact O-N 3.34Å; K111-E115 VanDerWaalsContact O-CB 3.25Å; K111-E115 WeakPolarHBondContact O-CB 3.38Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.16Å
112	L	67.6	Low	65.6	Low	103 Å²	103	100.8 Å²	100.8	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-40.8	176.4	-163.6	96.9	0	0	0	110.4	Q108 Q109 T110 E115 I116	Q108-L112 WeakPolarHBondContact O-CB 3.4Å; Q108-L112 PolarHBondContact O-N 2.78Å; Q109-L112 PolarHBondContact O-N 2.82Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.11Å; L112-E115 PolarHBondContact O-N 2.93Å; L112-I116 HydrophobicContact CD2-CD1 3.88Å; L112-I116 HydrophobicContact CG-CD1 3.98Å; L112-I116 VanDerWaalsContact O-CB 3.3Å; L112-I116 WeakPolarHBondContact O-CB 3.35Å; L112-I116 VanDerWaalsContact O-CD1 3.32Å; L112-I116 WeakPolarHBondContact O-CD1 3.47Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 2.87Å
113	Q	62.1	Low	67	Low	125 Å²	125	103.1 Å²	103.1	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-41.5	175	-80.8	173	-37.1	0	0	112	Q109 T110 I116 Y117	Q109-Q113 WeakPolarHBondContact O-CB 3.46Å; Q109-Q113 WeakPolarHBondContact O-CG 3.17Å; Q109-Q113 PolarHBondContact O-N 2.88Å; T110-Q113 CarbonylContact O-C 3.57Å; T110-Q113 PolarHBondContact O-N 3.21Å; Q113-I116 PolarHBondContact O-N 3.3Å; Q113-Y117 WeakPolarHBondContact O-CB 3.4Å; Q113-Y117 PolarHBondContact O-N 3.28Å
114	D	64.3	Low	68.4	Low	106 Å²	106	101.5 Å²	101.5	57%	0.567	50%	0.499	S	S	*	.	H	α-helix	trans	-69	-37.5	176	-68.6	-26.1	0	0	0	111.5	T110 K111 Y117 S118	T110-D114 WeakPolarHBondContact O-CB 3.33Å; T110-D114 VanDerWaalsContact O-CG 3.23Å; T110-D114 PolarHBondContact O-N 3.02Å; K111-D114 PolarHBondContact O-N 3.34Å; D114-Y117 PolarHBondContact O-N 2.83Å; D114-S118 WeakPolarHBondContact O-CB 3.25Å; D114-S118 PolarHBondContact O-N 2.96Å; D114-S118 PolarHBondContact O-OG 3.03Å
115	E	64.1	Low	69.9	Low	99 Å²	99	100.7 Å²	100.7	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-65.6	-42.7	171	-84.1	-165.5	-158.1	0	0	112	K111 L112 Y117 S118 K119	K111-E115 VanDerWaalsContact O-CB 3.25Å; K111-E115 WeakPolarHBondContact O-CB 3.38Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.16Å; L112-E115 PolarHBondContact O-N 2.93Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-S118 WeakPolarHBondContact CA-OG 3.41Å; E115-S118 PolarHBondContact O-OG 2.97Å; E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 WeakPolarHBondContact O-CD 3.42Å; E115-K119 WeakPolarHBondContact O-CG 3.27Å; E115-K119 PolarHBondContact O-N 2.75Å; E115-K119 IonicContact OE2-NZ 2.86Å; E115-K119 PolarHBondContact OE2-NZ 3.4Å
116	I	61.4	Low	71.3	Confident	89 Å²	89	95.6 Å²	95.6	46%	0.456	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-44.4	174	-71.3	162.1	0	0	0	109.4	L112 Q113 S118 K119 T120	L112-I116 HydrophobicContact CD2-CD1 3.88Å; L112-I116 HydrophobicContact CG-CD1 3.98Å; L112-I116 VanDerWaalsContact O-CB 3.3Å; L112-I116 WeakPolarHBondContact O-CB 3.35Å; L112-I116 VanDerWaalsContact O-CD1 3.32Å; L112-I116 WeakPolarHBondContact O-CD1 3.47Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 2.87Å; Q113-I116 PolarHBondContact O-N 3.3Å; I116-S118 PolarHBondContact O-N 2.88Å; I116-K119 PolarHBondContact O-N 3.26Å; I116-K119 VanDerWaalsContact O-N 3.16Å; I116-T120 HydrophobicContact CG2-CG2 4.18Å; I116-T120 WeakPolarHBondContact O-CG2 3.26Å; I116-T120 PolarHBondContact O-N 2.96Å; I116-T120 PolarHBondContact O-OG1 3.16Å
117	Y	62.7	Low	72.6	Confident	132 Å²	132	90.4 Å²	90.4	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-40.4	-179.7	-172.3	-92.6	0	0	0	112.1	Q113 D114 E115 T120 R125	Q113-Y117 WeakPolarHBondContact O-CB 3.4Å; Q113-Y117 PolarHBondContact O-N 3.28Å; D114-Y117 PolarHBondContact O-N 2.83Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-T120 PolarHBondContact O-OG1 3.32Å; Y117-T120 VanDerWaalsContact O-OG1 3.13Å; Y117-R125 VanDerWaalsContact CE2-NH2 3.35Å; Y117-R125 VanDerWaalsContact OH-CZ 3.25Å; Y117-R125 PolarHBondContact OH-NH1 3.1Å; Y117-R125 PolarHBondContact OH-NH2 2.79Å
118	S	66.5	Low	73.9	Confident	93 Å²	93	91.2 Å²	91.2	65%	0.65	45%	0.449	S	S	*	.	H	α-helix	trans	-73.2	-26.1	174.9	58.7	0	0	0	0	113.7	D114 E115 I116	D114-S118 WeakPolarHBondContact O-CB 3.25Å; D114-S118 PolarHBondContact O-N 2.96Å; D114-S118 PolarHBondContact O-OG 3.03Å; E115-S118 WeakPolarHBondContact CA-OG 3.41Å; E115-S118 PolarHBondContact O-OG 2.97Å; I116-S118 PolarHBondContact O-N 2.88Å
119	K	75.8	Confident	75.3	Confident	153 Å²	153	88.8 Å²	88.8	67%	0.665	44%	0.44	S	S	*	.	H	α-helix	trans	-86.5	-22.9	177.1	-70.9	168.6	-170.8	163.5	0	113.8	E115 I116	E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 WeakPolarHBondContact O-CD 3.42Å; E115-K119 WeakPolarHBondContact O-CG 3.27Å; E115-K119 PolarHBondContact O-N 2.75Å; E115-K119 IonicContact OE2-NZ 2.86Å; E115-K119 PolarHBondContact OE2-NZ 3.4Å; I116-K119 PolarHBondContact O-N 3.26Å; I116-K119 VanDerWaalsContact O-N 3.16Å
120	T	80.6	Confident	76.6	Confident	47 Å²	47	84.3 Å²	84.3	29%	0.288	42%	0.419	S	S	.	.	S	Bend	trans	-79	137.5	179.5	49.8	0	0	0	0	112.8	I116 Y117 R125	I116-T120 HydrophobicContact CG2-CG2 4.18Å; I116-T120 WeakPolarHBondContact O-CG2 3.26Å; I116-T120 PolarHBondContact O-N 2.96Å; I116-T120 PolarHBondContact O-OG1 3.16Å; Y117-T120 PolarHBondContact O-OG1 3.32Å; Y117-T120 VanDerWaalsContact O-OG1 3.13Å; T120-R125 WeakPolarHBondContact OG1-CG 3.13Å
121	S	85.8	Confident	77.8	Confident	50 Å²	50	83.8 Å²	83.8	35%	0.35	41%	0.414	S	S	.	.			trans	-66.3	149.8	174.2	81.8	0	0	0	0	110.9	R123 D124 R125	S121-R123 PolarHBondContact O-N 3.41Å; S121-D124 WeakPolarHBondContact CB-OD2 3.38Å; S121-D124 PolarHBondContact O-N 3.14Å; S121-D124 VanDerWaalsContact O-N 3.08Å; S121-D124 PolarHBondContact OG-N 3.3Å; S121-D124 VanDerWaalsContact OG-N 3.09Å; S121-D124 PolarHBondContact OG-OD2 2.94Å; S121-R125 WeakPolarHBondContact O-CG 3.19Å; S121-R125 PolarHBondContact O-N 3.27Å
122	M	84.8	Confident	78.8	Confident	92 Å²	92	81.1 Å²	81.1	45%	0.453	41%	0.413	S	S	.	.	H	α-helix	trans	-54.6	-35.3	173.9	-173.6	-179.7	-71.9	0	0	111.6	R125 I126 Y191 F194	M122-R125 PolarHBondContact O-N 3.03Å; M122-I126 HydrophobicContact CG-CD1 4.2Å; M122-I126 VanDerWaalsContact O-CG1 3.31Å; M122-I126 WeakPolarHBondContact O-CG1 3.46Å; M122-I126 PolarHBondContact O-N 3.47Å; M122-Y191 HydrophobicContact CG-CD1 4.07Å; M122-Y191 HydrophobicContact CG-CE1 4.32Å; M122-F194 HydrophobicContact CG-CD2 4.26Å; M122-F194 HydrophobicContact SD-CB 3.83Å; M122-F194 HydrophobicContact SD-CD2 3.6Å; M122-F194 VanDerWaalsContact SD-CD2 3.6Å; M122-F194 HydrophobicContact SD-CG 4.01Å
123	R	86.3	Confident	79.7	Confident	131 Å²	131	84.8 Å²	84.8	49%	0.494	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-49.6	174.7	-71.3	-177.7	-179.9	115.3	1.8	112.1	S121 R125 I126 V127 F194 L198	S121-R123 PolarHBondContact O-N 3.41Å; R123-R125 VanDerWaalsContact C-N 3.26Å; R123-R125 PolarHBondContact O-N 2.85Å; R123-I126 PolarHBondContact O-N 2.91Å; R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.25Å; R123-F194 HydrophobicContact CG-CE1 4.18Å; R123-F194 HydrophobicContact CG-CE2 4Å; R123-F194 HydrophobicContact CG-CZ 3.42Å; R123-F194 VanDerWaalsContact CG-CZ 3.42Å; R123-L198 HydrophobicContact CB-CD2 4.27Å; R123-L198 HydrophobicContact CG-CD2 4.23Å
124	D	87	Confident	81	Confident	84 Å²	84	80.1 Å²	80.1	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-36.4	-179.6	-60.3	-45	0	0	0	111.1	S121 V127 N128	S121-D124 WeakPolarHBondContact CB-OD2 3.38Å; S121-D124 PolarHBondContact O-N 3.14Å; S121-D124 VanDerWaalsContact O-N 3.08Å; S121-D124 PolarHBondContact OG-N 3.3Å; S121-D124 VanDerWaalsContact OG-N 3.09Å; S121-D124 PolarHBondContact OG-OD2 2.94Å; D124-V127 PolarHBondContact O-N 2.89Å; D124-N128 VanDerWaalsContact O-CB 3.29Å; D124-N128 WeakPolarHBondContact O-CB 3.49Å; D124-N128 PolarHBondContact O-N 3.19Å; D124-N128 PolarHBondContact O-ND2 3.44Å
125	R	87.7	Confident	82.3	Confident	48 Å²	48	81.1 Å²	81.1	18%	0.181	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-44.8	175.4	-68.7	176	51.8	-160.1	-14.1	112.3	Y117 T120 S121 M122 R123 L129 Y191	Y117-R125 VanDerWaalsContact CE2-NH2 3.35Å; Y117-R125 VanDerWaalsContact OH-CZ 3.25Å; Y117-R125 PolarHBondContact OH-NH1 3.1Å; Y117-R125 PolarHBondContact OH-NH2 2.79Å; T120-R125 WeakPolarHBondContact OG1-CG 3.13Å; S121-R125 WeakPolarHBondContact O-CG 3.19Å; S121-R125 PolarHBondContact O-N 3.27Å; M122-R125 PolarHBondContact O-N 3.03Å; R123-R125 VanDerWaalsContact C-N 3.26Å; R123-R125 PolarHBondContact O-N 2.85Å; R125-L129 WeakPolarHBondContact O-CB 3.43Å; R125-L129 PolarHBondContact O-N 3.42Å; R125-Y191 HydrophobicContact CB-CE1 4.19Å; R125-Y191 PolarHBondContact NE-OH 3.32Å; R125-Y191 PolarHBondContact NH2-OH 3.37Å
126	I	88.1	Confident	83.5	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-47.6	175.8	-67.3	166.9	0	0	0	110.2	M122 R123 N128 L129 I130 W185 Y191 F194 L198	M122-I126 HydrophobicContact CG-CD1 4.2Å; M122-I126 VanDerWaalsContact O-CG1 3.31Å; M122-I126 WeakPolarHBondContact O-CG1 3.46Å; M122-I126 PolarHBondContact O-N 3.47Å; R123-I126 PolarHBondContact O-N 2.91Å; I126-N128 PolarHBondContact O-N 3.16Å; I126-L129 PolarHBondContact O-N 3.03Å; I126-I130 HydrophobicContact CG2-CD1 3.54Å; I126-I130 HydrophobicContact CG2-CG1 4.34Å; I126-I130 WeakPolarHBondContact O-CB 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.33Å; I126-I130 PolarHBondContact O-N 2.79Å; I126-W185 HydrophobicContact CG2-CB 4.26Å; I126-W185 HydrophobicContact CG2-CD2 3.88Å; I126-W185 HydrophobicContact CG2-CE3 4.06Å; I126-W185 HydrophobicContact CG2-CG 3.99Å; I126-Y191 HydrophobicContact CD1-CD1 3.82Å; I126-Y191 HydrophobicContact CD1-CG 4.13Å; I126-Y191 HydrophobicContact CG1-CD1 3.38Å; I126-Y191 HydrophobicContact CG1-CD2 4.29Å; I126-Y191 HydrophobicContact CG1-CE1 3.79Å; I126-Y191 HydrophobicContact CG1-CG 3.65Å; I126-F194 HydrophobicContact CD1-CB 3.99Å; I126-F194 HydrophobicContact CD1-CD1 3.46Å; I126-F194 VanDerWaalsContact CD1-CD1 3.46Å; I126-F194 HydrophobicContact CD1-CE1 4.11Å; I126-F194 HydrophobicContact CD1-CG 3.76Å; I126-L198 HydrophobicContact CG2-CD1 3.92Å
127	V	88.3	Confident	84.9	Confident	30 Å²	30	82.3 Å²	82.3	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-59.4	-48.1	178.8	171.9	0	0	0	0	110.7	R123 D124 L129 I130 M131 L198 L203	R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.25Å; D124-V127 PolarHBondContact O-N 2.89Å; V127-L129 PolarHBondContact O-N 2.97Å; V127-I130 PolarHBondContact O-N 2.96Å; V127-M131 HydrophobicContact CG1-CG 3.96Å; V127-M131 WeakPolarHBondContact O-CB 3.05Å; V127-M131 WeakPolarHBondContact O-CG 3.31Å; V127-M131 PolarHBondContact O-N 2.87Å; V127-L198 HydrophobicContact CG2-CD1 3.96Å; V127-L198 HydrophobicContact CG2-CD2 4.14Å; V127-L203 HydrophobicContact CG1-CD2 4.2Å
128	N	88.7	Confident	86.2	Confident	105 Å²	105	79.4 Å²	79.4	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-62.3	-42.1	179.2	-72	-20	0	0	0	112	D124 I126 S132	D124-N128 VanDerWaalsContact O-CB 3.29Å; D124-N128 WeakPolarHBondContact O-CB 3.49Å; D124-N128 PolarHBondContact O-N 3.19Å; D124-N128 PolarHBondContact O-ND2 3.44Å; I126-N128 PolarHBondContact O-N 3.16Å; N128-S132 VanDerWaalsContact O-CB 3.28Å; N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.16Å
129	L	87.9	Confident	87.3	Confident	73 Å²	73	77.8 Å²	77.8	38%	0.382	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-51.5	177.9	178.8	63.6	0	0	0	111.4	R125 I126 V127 S132 I188 Y191	R125-L129 WeakPolarHBondContact O-CB 3.43Å; R125-L129 PolarHBondContact O-N 3.42Å; I126-L129 PolarHBondContact O-N 3.03Å; V127-L129 PolarHBondContact O-N 2.97Å; L129-S132 PolarHBondContact O-OG 3.01Å; L129-I188 HydrophobicContact CD2-CD1 3.89Å; L129-Y191 HydrophobicContact CD2-CD2 4.17Å; L129-Y191 HydrophobicContact CD2-CE2 3.65Å
130	I	89.1	Confident	88.1	Confident	16 Å²	16	70.7 Å²	70.7	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-48.4	-178.2	-68.1	172.2	0	0	0	110.6	I126 V127 S132 K133 Y134 L183 W185	I126-I130 HydrophobicContact CG2-CD1 3.54Å; I126-I130 HydrophobicContact CG2-CG1 4.34Å; I126-I130 WeakPolarHBondContact O-CB 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.33Å; I126-I130 PolarHBondContact O-N 2.79Å; V127-I130 PolarHBondContact O-N 2.96Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 2.71Å; I130-K133 PolarHBondContact O-N 3.03Å; I130-Y134 WeakPolarHBondContact O-CB 3.2Å; I130-Y134 PolarHBondContact O-N 3.24Å; I130-L183 HydrophobicContact CG2-CD2 3.46Å; I130-L183 VanDerWaalsContact CG2-CD2 3.46Å; I130-W185 HydrophobicContact CD1-CB 4.34Å; I130-W185 HydrophobicContact CD1-CD2 4.37Å; I130-W185 HydrophobicContact CD1-CE3 3.56Å; I130-W185 HydrophobicContact CD1-CZ3 4.23Å
131	M	88.8	Confident	88	Confident	40 Å²	40	71.7 Å²	71.7	20%	0.197	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-25.5	-174.9	-65.5	-63.1	157.5	0	0	113	V127 K133 Y134 L183 L203 Q206 L207	V127-M131 HydrophobicContact CG1-CG 3.96Å; V127-M131 WeakPolarHBondContact O-CB 3.05Å; V127-M131 WeakPolarHBondContact O-CG 3.31Å; V127-M131 PolarHBondContact O-N 2.87Å; M131-K133 PolarHBondContact O-N 3.23Å; M131-K133 VanDerWaalsContact O-N 3.17Å; M131-Y134 PolarHBondContact O-N 3.19Å; M131-L183 HydrophobicContact CE-CD2 4.27Å; M131-L203 HydrophobicContact CE-CD2 3.41Å; M131-L203 VanDerWaalsContact CE-CD2 3.41Å; M131-Q206 HydrophobicContact SD-CB 4.11Å; M131-L207 HydrophobicContact CE-CD2 3.43Å; M131-L207 VanDerWaalsContact CE-CD2 3.43Å; M131-L207 HydrophobicContact CE-CG 4.19Å; M131-L207 HydrophobicContact SD-CD2 4.16Å
132	S	87.6	Confident	87.6	Confident	86 Å²	86	72.7 Å²	72.7	60%	0.601	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-29.5	179.4	68.8	0	0	0	0	114.2	N128 L129 I130	N128-S132 VanDerWaalsContact O-CB 3.28Å; N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.16Å; L129-S132 PolarHBondContact O-OG 3.01Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 2.71Å
133	K	85.5	Confident	87.3	Confident	181 Å²	181	72.3 Å²	72.3	79%	0.787	37%	0.37	S	S	*	.	H	α-helix	trans	-111.7	-3.7	-179.5	-64.3	179.9	-177.2	176.4	0	113	I130 M131	I130-K133 PolarHBondContact O-N 3.03Å; M131-K133 PolarHBondContact O-N 3.23Å; M131-K133 VanDerWaalsContact O-N 3.17Å
134	Y	91	Very high	87.1	Confident	26 Å²	26	69.1 Å²	69.1	10%	0.102	38%	0.378	C	S	.	.			trans	-78.2	135.5	-171.9	-167.2	-95.6	0	0	0	111.6	I130 M131 D180 R182 L183 Q206 L207 W208	I130-Y134 WeakPolarHBondContact O-CB 3.2Å; I130-Y134 PolarHBondContact O-N 3.24Å; M131-Y134 PolarHBondContact O-N 3.19Å; Y134-D180 VanDerWaalsContact CE2-OD2 3.25Å; Y134-D180 WeakPolarHBondContact CE2-OD2 3.46Å; Y134-D180 PolarHBondContact OH-OD2 2.72Å; Y134-R182 HydrophobicContact CD2-CB 3.93Å; Y134-R182 HydrophobicContact CE2-CB 3.98Å; Y134-R182 PolarHBondContact OH-NH2 2.86Å; Y134-L183 HydrophobicContact CD2-CD2 3.52Å; Y134-L183 HydrophobicContact CD2-CG 4.26Å; Y134-L183 HydrophobicContact CE2-CD1 4.29Å; Y134-L183 HydrophobicContact CE2-CD2 3.4Å; Y134-L183 VanDerWaalsContact CE2-CD2 3.4Å; Y134-L183 HydrophobicContact CE2-CG 3.71Å; Y134-L183 HydrophobicContact CG-CD2 4.27Å; Y134-Q206 WeakPolarHBondContact CD1-O 3.35Å; Y134-Q206 WeakPolarHBondContact CE1-O 3.4Å; Y134-L207 HydrophobicContact CD1-CD2 4.12Å; Y134-L207 HydrophobicContact CE1-CD2 3.69Å; Y134-L207 HydrophobicContact CE2-CD2 4.33Å; Y134-W208 PolarHBondContact OH-N 3.12Å
135	R	90.4	Very high	87.3	Confident	127 Å²	127	70.1 Å²	70.1	48%	0.479	38%	0.383	S	S	.	.			trans	-116.5	103.4	177	-66.5	177.8	177.6	-170.6	1.8	109.5	Y137 E138 R182	R135-Y137 VanDerWaalsContact C-N 3.28Å; R135-Y137 HydrophobicContact CB-CD1 4.42Å; R135-Y137 HydrophobicContact CB-CE1 3.94Å; R135-Y137 WeakPolarHBondContact CD-OH 3.45Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 PolarHBondContact O-N 2.85Å; R135-E138 HydrophobicContact CB-CB 4.37Å; R135-E138 HydrophobicContact CB-CG 4.2Å; R135-E138 VanDerWaalsContact CD-CD 3.43Å; R135-E138 WeakPolarHBondContact CD-OE1 3.35Å; R135-E138 WeakPolarHBondContact CD-OE2 3.39Å; R135-E138 IonicContact CZ-OE1 2.78Å; R135-E138 IonicContact NE-OE1 3.57Å; R135-E138 IonicContact NH1-OE1 2.66Å; R135-E138 PolarHBondContact NH1-OE1 2.85Å; R135-E138 PolarHBondContact O-N 3.47Å; R135-R182 PolarHBondContact O-NH1 2.88Å; R135-R182 VanDerWaalsContact O-NH1 3.16Å
136	S	90	Very high	87.6	Confident	51 Å²	51	68.9 Å²	68.9	36%	0.357	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.6	-175.5	57.9	0	0	0	0	114.8	Q206 W208	S136-Q206 WeakPolarHBondContact CB-O 3.31Å; S136-W208 WeakPolarHBondContact O-CA 3.19Å; S136-W208 VanDerWaalsContact O-CB 3.26Å; S136-W208 WeakPolarHBondContact O-CB 3.36Å
137	Y	89.4	Confident	87.9	Confident	162 Å²	162	69.1 Å²	69.1	64%	0.635	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.2	177.4	57.7	-92.3	0	0	0	113.3	R135	R135-Y137 VanDerWaalsContact C-N 3.28Å; R135-Y137 HydrophobicContact CB-CD1 4.42Å; R135-Y137 HydrophobicContact CB-CE1 3.94Å; R135-Y137 WeakPolarHBondContact CD-OH 3.45Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 PolarHBondContact O-N 2.85Å
138	E	90	Very high	88.3	Confident	71 Å²	71	72.4 Å²	72.4	33%	0.332	40%	0.4	S	S	.	.	S	Bend	trans	-99.9	131.8	178.6	-67.2	174.7	-174.5	0	0	110.3	R135 R182	R135-E138 HydrophobicContact CB-CB 4.37Å; R135-E138 HydrophobicContact CB-CG 4.2Å; R135-E138 VanDerWaalsContact CD-CD 3.43Å; R135-E138 WeakPolarHBondContact CD-OE1 3.35Å; R135-E138 WeakPolarHBondContact CD-OE2 3.39Å; R135-E138 IonicContact CZ-OE1 2.78Å; R135-E138 IonicContact NE-OE1 3.57Å; R135-E138 IonicContact NH1-OE1 2.66Å; R135-E138 PolarHBondContact NH1-OE1 2.85Å; R135-E138 PolarHBondContact O-N 3.47Å; E138-R182 PolarHBondContact O-NH1 2.84Å; E138-R182 VanDerWaalsContact O-NH1 3.16Å; E138-R182 PolarHBondContact O-NH2 3.25Å
139	R	91.5	Very high	88.7	Confident	59 Å²	59	67.4 Å²	67.4	22%	0.223	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.7	172.5	79.7	173.6	179.7	91.7	-9.3	110.7	P141 N145 T147 W208	R139-P141 WeakPolarHBondContact O-CD 3.47Å; R139-N145 PolarHBondContact NH1-O 2.93Å; R139-N145 PolarHBondContact NH2-O 3.07Å; R139-N145 VanDerWaalsContact NH2-O 3.17Å; R139-T147 PolarHBondContact NH1-OG1 3.44Å; R139-W208 HydrophobicContact CB-CZ2 4.01Å
140	P	91	Very high	89.1	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.026	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-53.4	122.2	174.1	-26.5	34.2	0	0	0	111.2	D142 T147 D180 W208	P140-D142 PolarHBondContact O-N 3.38Å; P140-T147 HydrophobicContact CB-CG2 4.32Å; P140-T147 HydrophobicContact CG-CG2 4.17Å; P140-T147 PolarHBondContact O-OG1 3.25Å; P140-D180 HydrophobicContact CB-CB 4.05Å; P140-D180 HydrophobicContact CG-CB 4Å; P140-W208 VanDerWaalsContact CD-CZ3 3.49Å; P140-W208 HydrophobicContact CG-CD2 4.32Å; P140-W208 HydrophobicContact CG-CE3 3.66Å; P140-W208 HydrophobicContact CG-CZ3 3.8Å
141	P	78.6	Confident	89.6	Confident	68 Å²	68	65.4 Å²	65.4	44%	0.442	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.7	116.4	-179.7	28.3	-32.4	0	0	0	109.8	R139 R182	R139-P141 WeakPolarHBondContact O-CD 3.47Å; P141-R182 HydrophobicContact CG-CG 4.21Å
142	D	77.7	Confident	90	Very high	72 Å²	72	64 Å²	64	39%	0.385	36%	0.358	S	S	.	.			trans	-118.3	55.7	176.4	-165.1	34.8	0	0	0	112	P140 G144 N145	P140-D142 PolarHBondContact O-N 3.38Å; D142-G144 PolarHBondContact O-N 3.4Å; D142-N145 WeakPolarHBondContact O-CB 3.4Å; D142-N145 PolarHBondContact O-N 3.36Å
143	G	79.1	Confident	90.4	Very high	84 Å²	84	59.9 Å²	59.9	87%	0.866	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	20.4	174.4	0	0	0	0	0	115.5
144	G	81	Confident	91	Very high	64 Å²	64	54.5 Å²	54.5	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-12.9	-174.5	0	0	0	0	0	114.4	D142	D142-G144 PolarHBondContact O-N 3.4Å
145	N	91.7	Very high	91.2	Very high	105 Å²	105	53.3 Å²	53.3	56%	0.561	30%	0.301	S	S	*	.	S	Bend	trans	-76.7	162.3	178.6	-62.3	-26.1	0	0	0	112.3	R139 D142	R139-N145 PolarHBondContact NH1-O 2.93Å; R139-N145 PolarHBondContact NH2-O 3.07Å; R139-N145 VanDerWaalsContact NH2-O 3.17Å; D142-N145 WeakPolarHBondContact O-CB 3.4Å; D142-N145 PolarHBondContact O-N 3.36Å
146	A	93.1	Very high	91.5	Very high	21 Å²	21	50 Å²	50	17%	0.174	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-64.4	135.2	171	0	0	0	0	0	110.2	I148 L277 N278 E279	A146-I148 PolarHBondContact O-N 2.61Å; A146-L277 WeakPolarHBondContact CB-O 3.5Å; A146-N278 WeakPolarHBondContact CA-O 3.5Å; A146-N278 WeakPolarHBondContact CB-O 3.27Å; A146-N278 PolarHBondContact N-O 3.1Å; A146-E279 CarbonylContact C-O 3.51Å; A146-E279 WeakPolarHBondContact CA-O 3.39Å
147	T	95.4	Very high	91.7	Very high	6 Å²	6	49 Å²	49	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121	171.2	-56.6	0	0	0	0	108.5	R139 P140 V149 W208 E279 L280 K281	R139-T147 PolarHBondContact NH1-OG1 3.44Å; P140-T147 HydrophobicContact CB-CG2 4.32Å; P140-T147 HydrophobicContact CG-CG2 4.17Å; P140-T147 PolarHBondContact O-OG1 3.25Å; T147-V149 HydrophobicContact CG2-CG2 4.4Å; T147-W208 HydrophobicContact CG2-CH2 4.4Å; T147-W208 HydrophobicContact CG2-CZ3 4.45Å; T147-E279 PolarHBondContact N-O 3.35Å; T147-L280 HydrophobicContact CG2-CD1 4.23Å; T147-L280 WeakPolarHBondContact O-CD1 3.43Å; T147-K281 PolarHBondContact O-N 3.13Å
148	I	95.9	Very high	92	Very high	100 Å²	100	41.5 Å²	41.5	51%	0.513	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.1	178.5	-57.6	175.8	0	0	0	108.9	A146 V283	A146-I148 PolarHBondContact O-N 2.61Å; I148-V283 HydrophobicContact CG2-CG2 4.01Å
149	V	97.4	Very high	92.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.1	177.4	-177.6	0	0	0	0	108.9	T147 V151 Q176 V177 W178 P210 L280 K281 F282 V283	T147-V149 HydrophobicContact CG2-CG2 4.4Å; V149-V151 HydrophobicContact CG1-CG2 4.49Å; V149-Q176 HydrophobicContact CG1-CB 4.02Å; V149-Q176 HydrophobicContact CG1-CG 4.47Å; V149-V177 CarbonylContact C-O 3.54Å; V149-V177 WeakPolarHBondContact CA-O 3.49Å; V149-W178 HydrophobicContact CB-CB 4.44Å; V149-W178 HydrophobicContact CG1-CB 4.48Å; V149-W178 HydrophobicContact CG2-CB 3.91Å; V149-P210 HydrophobicContact CG1-CB 4.46Å; V149-P210 HydrophobicContact CG1-CG 4.02Å; V149-P210 HydrophobicContact CG2-CB 4.12Å; V149-P210 HydrophobicContact CG2-CG 3.76Å; V149-L280 HydrophobicContact CG2-CD1 3.59Å; V149-K281 PolarHBondContact N-O 2.79Å; V149-F282 HydrophobicContact CB-CD1 3.62Å; V149-F282 HydrophobicContact CB-CE1 3.8Å; V149-F282 HydrophobicContact CG1-CD1 3.85Å; V149-F282 HydrophobicContact CG1-CE1 3.85Å; V149-F282 HydrophobicContact CG2-CD1 4.36Å; V149-F282 HydrophobicContact CG2-CE1 4.12Å; V149-F282 WeakPolarHBondContact O-CA 3.35Å; V149-V283 PolarHBondContact O-N 2.91Å
150	T	97.9	Very high	92.3	Very high	46 Å²	46	42.8 Å²	42.8	28%	0.282	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.8	175.8	-55.8	0	0	0	0	109.9	Q176 V177 V283 N285	T150-Q176 CarbonylContact O-C 3.53Å; T150-Q176 WeakPolarHBondContact O-CA 3.28Å; T150-V177 PolarHBondContact N-O 3.04Å; T150-V177 PolarHBondContact O-N 2.87Å; T150-V283 CarbonylContact C-O 3.58Å; T150-V283 VanDerWaalsContact CA-O 3.28Å; T150-V283 WeakPolarHBondContact CA-O 3.49Å; T150-N285 HydrophobicContact CG2-CB 3.9Å
151	V	98.1	Very high	92.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.8	-177.3	-176.1	0	0	0	0	110.3	V149 L174 R175 L212 I270 F282 V283 W284 N285 L326	V149-V151 HydrophobicContact CG1-CG2 4.49Å; V151-L174 HydrophobicContact CG1-CD1 3.77Å; V151-R175 WeakPolarHBondContact CA-O 3.23Å; V151-L212 HydrophobicContact CG1-CD1 4.2Å; V151-L212 HydrophobicContact CG2-CD1 3.88Å; V151-I270 HydrophobicContact CG1-CD1 4.26Å; V151-F282 HydrophobicContact CG2-CB 4.12Å; V151-F282 HydrophobicContact CG2-CD1 3.79Å; V151-F282 HydrophobicContact CG2-CG 4.22Å; V151-V283 PolarHBondContact N-O 2.66Å; V151-W284 HydrophobicContact CB-CE3 4.43Å; V151-W284 HydrophobicContact CB-CZ3 4.44Å; V151-W284 HydrophobicContact CG1-CE3 4.46Å; V151-W284 HydrophobicContact CG1-CZ3 4Å; V151-N285 PolarHBondContact O-N 3.25Å; V151-L326 HydrophobicContact CB-CD1 4.08Å; V151-L326 HydrophobicContact CG2-CD1 4.12Å
152	N	97.3	Very high	93.2	Very high	11 Å²	11	43 Å²	43	6%	0.059	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.8	169.9	156.6	-85.4	0	0	0	109	R175 N285 K288 P289 E291	N152-R175 HydrophobicContact CB-CB 4.37Å; N152-R175 PolarHBondContact N-O 3.09Å; N152-R175 PolarHBondContact O-N 2.6Å; N152-R175 WeakPolarHBondContact OD1-CD 3.44Å; N152-R175 PolarHBondContact OD1-NH1 2.95Å; N152-N285 HydrophobicContact CB-CB 4.05Å; N152-K288 PolarHBondContact ND2-O 2.95Å; N152-P289 CarbonylContact C-O 3.5Å; N152-P289 WeakPolarHBondContact CA-O 3.39Å; N152-E291 PolarHBondContact ND2-OE1 3.48Å
153	M	97.4	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.2	174.9	-63.4	-174.2	-59	0	0	110.7	L172 L173 L174 I268 I270 W284 P289 V290 E291 A328	M153-L172 HydrophobicContact SD-CD2 4.17Å; M153-L173 CarbonylContact C-O 3.49Å; M153-L173 VanDerWaalsContact CA-O 3.3Å; M153-L173 WeakPolarHBondContact CA-O 3.38Å; M153-L174 HydrophobicContact CG-CD1 3.72Å; M153-L174 HydrophobicContact SD-CD1 4.26Å; M153-I268 HydrophobicContact CE-CD1 4.13Å; M153-I268 HydrophobicContact CE-CG2 4.35Å; M153-I268 HydrophobicContact SD-CG2 4.38Å; M153-I270 HydrophobicContact CE-CD1 4.35Å; M153-I270 HydrophobicContact SD-CD1 3.79Å; M153-W284 HydrophobicContact CE-CH2 3.5Å; M153-W284 VanDerWaalsContact CE-CH2 3.5Å; M153-W284 HydrophobicContact CE-CZ3 3.87Å; M153-W284 HydrophobicContact CG-CZ3 4.48Å; M153-W284 HydrophobicContact SD-CH2 4.48Å; M153-P289 PolarHBondContact N-O 3.48Å; M153-V290 HydrophobicContact CE-CG2 3.73Å; M153-V290 CarbonylContact O-C 3.58Å; M153-V290 VanDerWaalsContact O-CA 3.31Å; M153-V290 WeakPolarHBondContact O-CA 3.38Å; M153-E291 PolarHBondContact O-N 3.06Å; M153-A328 HydrophobicContact CE-CB 4.05Å
154	K	96.4	Very high	94.5	Very high	68 Å²	68	43.5 Å²	43.5	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.1	164.3	-178.5	172.5	-175.4	167.1	0	109.5	L156 L172 L173 E291	K154-L156 HydrophobicContact CD-CD2 4.4Å; K154-L156 HydrophobicContact CG-CD2 4.22Å; K154-L156 PolarHBondContact O-N 3.17Å; K154-L172 CarbonylContact O-C 3.5Å; K154-L172 VanDerWaalsContact O-CA 3.24Å; K154-L172 WeakPolarHBondContact O-CA 3.3Å; K154-L173 HydrophobicContact CB-CB 4.21Å; K154-L173 HydrophobicContact CD-CD1 4.42Å; K154-L173 PolarHBondContact N-O 3.39Å; K154-L173 PolarHBondContact O-N 3.25Å; K154-E291 CarbonylContact C-O 3.51Å; K154-E291 VanDerWaalsContact CA-O 3.29Å; K154-E291 WeakPolarHBondContact CA-O 3.1Å; K154-E291 HydrophobicContact CB-CB 4.07Å; K154-E291 HydrophobicContact CG-CB 3.94Å
155	V	96.7	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.4	175.8	178.9	0	0	0	0	108.4	I158 I170 V290 E291 A293 L296 F307	V155-I158 HydrophobicContact CG1-CD1 4.26Å; V155-I158 HydrophobicContact CG1-CG1 3.78Å; V155-I170 HydrophobicContact CG1-CG2 4.2Å; V155-V290 HydrophobicContact CG2-CG1 3.87Å; V155-E291 PolarHBondContact N-O 2.92Å; V155-A293 PolarHBondContact O-N 2.79Å; V155-A293 VanDerWaalsContact O-N 3.08Å; V155-L296 HydrophobicContact CG1-CD2 4.48Å; V155-F307 HydrophobicContact CG2-CE2 3.96Å; V155-F307 HydrophobicContact CG2-CZ 3.84Å
156	L	95.2	Very high	95.3	Very high	58 Å²	58	39.5 Å²	39.5	30%	0.304	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-42	179.2	-58.1	178.2	0	0	0	111.2	K154 D171 L173 K245	K154-L156 HydrophobicContact CD-CD2 4.4Å; K154-L156 HydrophobicContact CG-CD2 4.22Å; K154-L156 PolarHBondContact O-N 3.17Å; L156-D171 WeakPolarHBondContact CA-O 3.1Å; L156-D171 HydrophobicContact CB-CB 4.16Å; L156-D171 WeakPolarHBondContact CB-O 3.39Å; L156-D171 PolarHBondContact N-O 3.45Å; L156-L173 HydrophobicContact CD1-CD2 4.31Å; L156-L173 HydrophobicContact CD1-CG 4.03Å; L156-L173 HydrophobicContact CD2-CD1 4.3Å; L156-L173 HydrophobicContact CD2-CG 4.34Å; L156-L173 HydrophobicContact CG-CG 4.34Å; L156-K245 HydrophobicContact CD1-CD 4.23Å; L156-K245 HydrophobicContact CD1-CG 4.22Å
157	A	94.7	Very high	95.4	Very high	30 Å²	30	38.7 Å²	38.7	25%	0.248	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.6	177.1	0	0	0	0	0	111.1	F159 I170 D171	A157-F159 HydrophobicContact CB-CD1 4.08Å; A157-I170 WeakPolarHBondContact O-CA 3.16Å; A157-D171 HydrophobicContact CB-CB 4.16Å; A157-D171 PolarHBondContact N-O 3.27Å; A157-D171 PolarHBondContact O-N 3.49Å
158	I	95.5	Very high	95.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.8	166.3	-50.6	179.9	0	0	0	105.4	V155 I161 Y168 Y169 I170 L296 L298 P304 F307 F330	V155-I158 HydrophobicContact CG1-CD1 4.26Å; V155-I158 HydrophobicContact CG1-CG1 3.78Å; I158-I161 HydrophobicContact CG2-CD1 4.14Å; I158-I161 HydrophobicContact CG2-CG1 4.31Å; I158-Y168 HydrophobicContact CG2-CD2 4.43Å; I158-Y169 WeakPolarHBondContact CA-O 3.46Å; I158-I170 HydrophobicContact CB-CG1 4.35Å; I158-I170 HydrophobicContact CD1-CD1 4.29Å; I158-I170 HydrophobicContact CG1-CD1 4.03Å; I158-I170 HydrophobicContact CG1-CG1 3.99Å; I158-I170 HydrophobicContact CG2-CG1 4.12Å; I158-L296 HydrophobicContact CD1-CD2 4.13Å; I158-L296 HydrophobicContact CG1-CD2 4.2Å; I158-L298 HydrophobicContact CB-CD1 4.19Å; I158-L298 HydrophobicContact CB-CD2 4.14Å; I158-L298 HydrophobicContact CB-CG 4.15Å; I158-L298 HydrophobicContact CG2-CD2 4.12Å; I158-P304 HydrophobicContact CD1-CG 4.22Å; I158-F307 HydrophobicContact CD1-CZ 4.19Å; I158-F330 HydrophobicContact CD1-CD2 4.32Å; I158-F330 HydrophobicContact CD1-CE2 4Å; I158-F330 HydrophobicContact CD1-CZ 4.41Å
159	F	94.8	Very high	95.6	Very high	77 Å²	77	36.5 Å²	36.5	34%	0.338	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	171.1	-173	62.5	-83.1	0	0	0	111.3	A157 I161 Y169 D171 T247	A157-F159 HydrophobicContact CB-CD1 4.08Å; F159-I161 VanDerWaalsContact C-N 3.27Å; F159-I161 PolarHBondContact O-N 2.8Å; F159-Y169 HydrophobicContact CE2-CD1 4.41Å; F159-Y169 HydrophobicContact CE2-CG 4.08Å; F159-Y169 HydrophobicContact CZ-CD1 4.49Å; F159-Y169 HydrophobicContact CZ-CG 4.37Å; F159-Y169 PolarHBondContact N-O 3.08Å; F159-Y169 WeakPolarHBondContact O-CA 3.4Å; F159-Y169 WeakPolarHBondContact O-CB 3.34Å; F159-Y169 PolarHBondContact O-N 3.27Å; F159-D171 HydrophobicContact CE1-CB 4.3Å; F159-D171 WeakPolarHBondContact CE1-OD1 3.38Å; F159-T247 HydrophobicContact CZ-CG2 3.86Å
160	S	93.2	Very high	95.5	Very high	79 Å²	79	36.5 Å²	36.5	55%	0.552	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	48.2	50.3	178.4	-65.5	0	0	0	0	112.5	D162	S160-D162 PolarHBondContact O-N 2.97Å
161	I	94.7	Very high	95.4	Very high	26 Å²	26	35.6 Å²	35.6	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	102.1	173.2	-59.5	162.3	0	0	0	106.4	I158 F159 M254 L298 F301 L332	I158-I161 HydrophobicContact CG2-CD1 4.14Å; I158-I161 HydrophobicContact CG2-CG1 4.31Å; F159-I161 VanDerWaalsContact C-N 3.27Å; F159-I161 PolarHBondContact O-N 2.8Å; I161-M254 HydrophobicContact CG2-CE 3.55Å; I161-M254 HydrophobicContact CG2-SD 4.41Å; I161-L298 HydrophobicContact CD1-CD2 3.78Å; I161-F301 HydrophobicContact CB-CE2 4Å; I161-F301 HydrophobicContact CD1-CD2 3.63Å; I161-F301 HydrophobicContact CD1-CE2 3.89Å; I161-F301 HydrophobicContact CD1-CG 4.44Å; I161-F301 HydrophobicContact CG2-CE2 3.67Å; I161-F301 HydrophobicContact CG2-CZ 4.03Å; I161-L332 HydrophobicContact CD1-CD1 4Å; I161-L332 HydrophobicContact CD1-CD2 4.07Å; I161-L332 HydrophobicContact CG2-CD1 4.37Å
162	D	93.6	Very high	95.3	Very high	50 Å²	50	35.6 Å²	35.6	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.1	-178.2	-174.5	-4.5	0	0	0	109.8	S160 R164 T165 M166 D167	S160-D162 PolarHBondContact O-N 2.97Å; D162-R164 PolarHBondContact O-N 2.93Å; D162-R164 WeakPolarHBondContact OD1-CA 3.34Å; D162-R164 WeakPolarHBondContact OD1-CB 3.29Å; D162-R164 PolarHBondContact OD1-N 3.05Å; D162-R164 IonicContact OD2-CZ 2.68Å; D162-R164 IonicContact OD2-NE 2.67Å; D162-R164 IonicContact OD2-NH2 3.77Å; D162-R164 PolarHBondContact OD2-NH2 2.93Å; D162-T165 VanDerWaalsContact CB-OG1 3.26Å; D162-T165 WeakPolarHBondContact CB-OG1 3.33Å; D162-T165 VanDerWaalsContact CG-OG1 3.29Å; D162-T165 PolarHBondContact O-N 2.89Å; D162-T165 PolarHBondContact O-OG1 3.08Å; D162-T165 PolarHBondContact OD2-OG1 3.27Å; D162-M166 PolarHBondContact O-N 3.48Å; D162-D167 PolarHBondContact N-O 3.14Å; D162-D167 PolarHBondContact O-N 2.55Å
163	V	92.5	Very high	95.3	Very high	12 Å²	12	36.9 Å²	36.9	7%	0.073	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	177.6	-177.2	0	0	0	0	111.3	M166 M254 L256 P391	V163-M166 WeakPolarHBondContact O-CE 3.13Å; V163-M166 VanDerWaalsContact O-SD 3.36Å; V163-M254 HydrophobicContact CB-SD 4.26Å; V163-M254 HydrophobicContact CG1-SD 4.39Å; V163-M254 HydrophobicContact CG2-SD 3.83Å; V163-L256 HydrophobicContact CG1-CD1 3.31Å; V163-L256 HydrophobicContact CG1-CD2 3.46Å; V163-L256 VanDerWaalsContact CG1-CD2 3.46Å; V163-L256 HydrophobicContact CG1-CG 3.91Å; V163-P391 HydrophobicContact CG1-CG 3.99Å; V163-P391 WeakPolarHBondContact O-CG 3.29Å
164	R	92.2	Very high	95.3	Very high	155 Å²	155	36.9 Å²	36.9	59%	0.585	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-39.1	-178.7	-175.6	-179.9	51.5	95.2	17.9	112.5	D162	D162-R164 PolarHBondContact O-N 2.93Å; D162-R164 WeakPolarHBondContact OD1-CA 3.34Å; D162-R164 WeakPolarHBondContact OD1-CB 3.29Å; D162-R164 PolarHBondContact OD1-N 3.05Å; D162-R164 IonicContact OD2-CZ 2.68Å; D162-R164 IonicContact OD2-NE 2.67Å; D162-R164 IonicContact OD2-NH2 3.77Å; D162-R164 PolarHBondContact OD2-NH2 2.93Å
165	T	93.6	Very high	95.4	Very high	51 Å²	51	36.7 Å²	36.7	31%	0.313	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.9	177.2	47.1	0	0	0	0	113.1	D162 D167 K218	D162-T165 VanDerWaalsContact CB-OG1 3.26Å; D162-T165 WeakPolarHBondContact CB-OG1 3.33Å; D162-T165 VanDerWaalsContact CG-OG1 3.29Å; D162-T165 PolarHBondContact O-N 2.89Å; D162-T165 PolarHBondContact O-OG1 3.08Å; D162-T165 PolarHBondContact OD2-OG1 3.27Å; T165-D167 VanDerWaalsContact C-N 3.32Å; T165-D167 WeakPolarHBondContact CB-OD1 3.48Å; T165-D167 WeakPolarHBondContact CB-OD2 3.41Å; T165-D167 PolarHBondContact O-N 3.4Å; T165-D167 VanDerWaalsContact OG1-CG 3.31Å; T165-D167 PolarHBondContact OG1-OD1 3.24Å; T165-K218 PolarHBondContact O-NZ 2.8Å
166	M	95.1	Very high	95.4	Very high	34 Å²	34	37 Å²	37	17%	0.167	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	48.9	179.9	-61.7	-68.7	-179.8	0	0	110.9	D162 V163 C252 M254 P391	D162-M166 PolarHBondContact O-N 3.48Å; V163-M166 WeakPolarHBondContact O-CE 3.13Å; V163-M166 VanDerWaalsContact O-SD 3.36Å; M166-C252 CarbonylContact C-O 3.46Å; M166-C252 WeakPolarHBondContact CA-O 3.39Å; M166-C252 WeakPolarHBondContact CB-O 3.19Å; M166-C252 PolarHBondContact O-N 2.91Å; M166-C252 VanDerWaalsContact O-O 3.14Å; M166-M254 HydrophobicContact SD-CB 3.88Å; M166-M254 HydrophobicContact SD-CG 4.42Å; M166-P391 HydrophobicContact CE-CG 3.97Å
167	D	96.9	Very high	95.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169.5	178.7	50.9	38	0	0	0	113.5	D162 T165 K218 R249 F250	D162-D167 PolarHBondContact N-O 3.14Å; D162-D167 PolarHBondContact O-N 2.55Å; T165-D167 VanDerWaalsContact C-N 3.32Å; T165-D167 WeakPolarHBondContact CB-OD1 3.48Å; T165-D167 WeakPolarHBondContact CB-OD2 3.41Å; T165-D167 PolarHBondContact O-N 3.4Å; T165-D167 VanDerWaalsContact OG1-CG 3.31Å; T165-D167 PolarHBondContact OG1-OD1 3.24Å; D167-K218 HydrophobicContact CB-CD 4.27Å; D167-K218 IonicContact OD2-NZ 2.96Å; D167-K218 PolarHBondContact OD2-NZ 3.49Å; D167-R249 HydrophobicContact CB-CG 3.92Å; D167-R249 WeakPolarHBondContact OD2-CD 3.42Å; D167-R249 IonicContact OD2-CZ 2.91Å; D167-R249 IonicContact OD2-NE 3.57Å; D167-R249 IonicContact OD2-NH1 2.77Å; D167-R249 PolarHBondContact OD2-NH1 2.05Å; D167-F250 WeakPolarHBondContact CA-O 3.47Å; D167-F250 WeakPolarHBondContact CB-O 3.42Å
168	Y	96.6	Very high	95.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157	178	65.7	-87.7	0	0	0	109.9	I158 I170 R249 F250 C252 C266 H267 F330	I158-Y168 HydrophobicContact CG2-CD2 4.43Å; Y168-I170 HydrophobicContact CD2-CD1 3.99Å; Y168-I170 HydrophobicContact CD2-CG1 3.68Å; Y168-I170 HydrophobicContact CE2-CD1 3.37Å; Y168-I170 HydrophobicContact CE2-CG1 3.52Å; Y168-R249 CarbonylContact O-C 3.51Å; Y168-R249 WeakPolarHBondContact O-CA 3.44Å; Y168-F250 HydrophobicContact CD1-CB 4.12Å; Y168-F250 HydrophobicContact CD2-CB 4.3Å; Y168-F250 HydrophobicContact CD2-CD2 4.4Å; Y168-F250 HydrophobicContact CE1-CB 3.49Å; Y168-F250 VanDerWaalsContact CE1-CB 3.49Å; Y168-F250 HydrophobicContact CE2-CB 3.68Å; Y168-F250 AromaticContact CE2-CD2 3.61Å; Y168-F250 HydrophobicContact CE2-CD2 3.61Å; Y168-F250 AromaticContact CE2-CG 3.98Å; Y168-F250 HydrophobicContact CE2-CG 3.98Å; Y168-F250 AromaticContact CZ-CD2 3.94Å; Y168-F250 AromaticContact CZ-CG 3.83Å; Y168-F250 PolarHBondContact N-O 2.81Å; Y168-F250 PolarHBondContact O-N 2.79Å; Y168-F250 WeakPolarHBondContact OH-CB 3.39Å; Y168-C252 HydrophobicContact CD1-CB 3.63Å; Y168-C252 HydrophobicContact CE1-CB 3.71Å; Y168-C266 HydrophobicContact CD1-CB 4.15Å; Y168-C266 HydrophobicContact CE1-CB 3.67Å; Y168-H267 PolarHBondContact OH-O 2.56Å; Y168-F330 HydrophobicContact CD2-CZ 4.17Å; Y168-F330 HydrophobicContact CE1-CZ 4.33Å; Y168-F330 HydrophobicContact CE2-CE1 4.04Å; Y168-F330 AromaticContact CE2-CZ 3.76Å; Y168-F330 HydrophobicContact CE2-CZ 3.76Å; Y168-F330 AromaticContact CZ-CE1 3.83Å; Y168-F330 AromaticContact CZ-CZ 3.8Å
169	Y	97	Very high	95.6	Very high	61 Å²	61	42.1 Å²	42.1	24%	0.239	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.6	174.7	-72.9	-102.8	0	0	0	111.1	I158 F159 T247 M248 R249	I158-Y169 WeakPolarHBondContact CA-O 3.46Å; F159-Y169 HydrophobicContact CE2-CD1 4.41Å; F159-Y169 HydrophobicContact CE2-CG 4.08Å; F159-Y169 HydrophobicContact CZ-CD1 4.49Å; F159-Y169 HydrophobicContact CZ-CG 4.37Å; F159-Y169 PolarHBondContact N-O 3.08Å; F159-Y169 WeakPolarHBondContact O-CA 3.4Å; F159-Y169 WeakPolarHBondContact O-CB 3.34Å; F159-Y169 PolarHBondContact O-N 3.27Å; Y169-T247 HydrophobicContact CD1-CG2 4.17Å; Y169-M248 WeakPolarHBondContact CA-O 3.48Å; Y169-R249 HydrophobicContact CD1-CB 3.96Å; Y169-R249 HydrophobicContact CD1-CG 4.49Å; Y169-R249 HydrophobicContact CD2-CB 4.5Å; Y169-R249 HydrophobicContact CD2-CG 4.16Å; Y169-R249 HydrophobicContact CE1-CB 3.67Å; Y169-R249 HydrophobicContact CE1-CG 4.18Å; Y169-R249 HydrophobicContact CE2-CB 4.25Å; Y169-R249 HydrophobicContact CE2-CG 3.82Å; Y169-R249 HydrophobicContact CG-CB 4.38Å; Y169-R249 HydrophobicContact CG-CG 4.5Å; Y169-R249 WeakPolarHBondContact OH-CD 3.48Å
170	I	96.6	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.7	170.3	-69.5	-171	0	0	0	110.4	V155 A157 I158 Y168 L172 T247 M248 F250 I268 F330	V155-I170 HydrophobicContact CG1-CG2 4.2Å; A157-I170 WeakPolarHBondContact O-CA 3.16Å; I158-I170 HydrophobicContact CB-CG1 4.35Å; I158-I170 HydrophobicContact CD1-CD1 4.29Å; I158-I170 HydrophobicContact CG1-CD1 4.03Å; I158-I170 HydrophobicContact CG1-CG1 3.99Å; I158-I170 HydrophobicContact CG2-CG1 4.12Å; Y168-I170 HydrophobicContact CD2-CD1 3.99Å; Y168-I170 HydrophobicContact CD2-CG1 3.68Å; Y168-I170 HydrophobicContact CE2-CD1 3.37Å; Y168-I170 HydrophobicContact CE2-CG1 3.52Å; I170-L172 HydrophobicContact CG2-CB 3.89Å; I170-L172 HydrophobicContact CG2-CD2 3.82Å; I170-L172 HydrophobicContact CG2-CG 4.16Å; I170-T247 CarbonylContact O-C 3.54Å; I170-T247 WeakPolarHBondContact O-CA 3.24Å; I170-M248 PolarHBondContact N-O 3.16Å; I170-M248 PolarHBondContact O-N 3.45Å; I170-F250 HydrophobicContact CB-CD2 4.36Å; I170-F250 HydrophobicContact CB-CE2 4.11Å; I170-I268 HydrophobicContact CD1-CD1 3.92Å; I170-I268 HydrophobicContact CD1-CG1 4.45Å; I170-F330 HydrophobicContact CD1-CE1 4.28Å; I170-F330 HydrophobicContact CD1-CZ 4.27Å
171	D	95.7	Very high	95.5	Very high	26 Å²	26	42.6 Å²	42.6	14%	0.139	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.8	160.8	-85.7	16.8	0	0	0	108.7	L156 A157 F159 K245 T247	L156-D171 WeakPolarHBondContact CA-O 3.1Å; L156-D171 HydrophobicContact CB-CB 4.16Å; L156-D171 WeakPolarHBondContact CB-O 3.39Å; L156-D171 PolarHBondContact N-O 3.45Å; A157-D171 HydrophobicContact CB-CB 4.16Å; A157-D171 PolarHBondContact N-O 3.27Å; A157-D171 PolarHBondContact O-N 3.49Å; F159-D171 HydrophobicContact CE1-CB 4.3Å; F159-D171 WeakPolarHBondContact CE1-OD1 3.38Å; D171-K245 IonicContact OD2-NZ 2.86Å; D171-T247 VanDerWaalsContact OD1-CB 3.25Å; D171-T247 WeakPolarHBondContact OD1-CB 3.5Å; D171-T247 VanDerWaalsContact OD1-CG2 3.22Å; D171-T247 WeakPolarHBondContact OD1-CG2 3.29Å; D171-T247 PolarHBondContact OD1-OG1 2.9Å
172	L	96.6	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.1	179.6	61.5	82.9	0	0	0	112.8	M153 K154 I170 L174 F214 K245 I246 I268	M153-L172 HydrophobicContact SD-CD2 4.17Å; K154-L172 CarbonylContact O-C 3.5Å; K154-L172 VanDerWaalsContact O-CA 3.24Å; K154-L172 WeakPolarHBondContact O-CA 3.3Å; I170-L172 HydrophobicContact CG2-CB 3.89Å; I170-L172 HydrophobicContact CG2-CD2 3.82Å; I170-L172 HydrophobicContact CG2-CG 4.16Å; L172-L174 HydrophobicContact CD1-CB 3.72Å; L172-F214 HydrophobicContact CD1-CZ 4.44Å; L172-K245 WeakPolarHBondContact O-CA 3.49Å; L172-I246 HydrophobicContact CD1-CB 4.36Å; L172-I246 HydrophobicContact CD1-CD1 4.4Å; L172-I246 PolarHBondContact N-O 2.92Å; L172-I246 PolarHBondContact O-N 2.85Å; L172-I268 HydrophobicContact CD2-CD1 4.39Å
173	L	96.6	Very high	95.3	Very high	39 Å²	39	42 Å²	42	20%	0.204	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.7	160.3	-59.5	173.1	0	0	0	108	M153 K154 L156 Q244 K245	M153-L173 CarbonylContact C-O 3.49Å; M153-L173 VanDerWaalsContact CA-O 3.3Å; M153-L173 WeakPolarHBondContact CA-O 3.38Å; K154-L173 HydrophobicContact CB-CB 4.21Å; K154-L173 HydrophobicContact CD-CD1 4.42Å; K154-L173 PolarHBondContact N-O 3.39Å; K154-L173 PolarHBondContact O-N 3.25Å; L156-L173 HydrophobicContact CD1-CD2 4.31Å; L156-L173 HydrophobicContact CD1-CG 4.03Å; L156-L173 HydrophobicContact CD2-CD1 4.3Å; L156-L173 HydrophobicContact CD2-CG 4.34Å; L156-L173 HydrophobicContact CG-CG 4.34Å; L173-Q244 CarbonylContact C-O 3.59Å; L173-Q244 WeakPolarHBondContact CA-O 3.43Å; L173-K245 HydrophobicContact CD2-CB 3.62Å; L173-K245 HydrophobicContact CD2-CG 3.83Å
174	L	97.5	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126	172.7	178.4	65.8	0	0	0	109	V151 M153 L172 Q176 L212 F214 S243 Q244 I246	V151-L174 HydrophobicContact CG1-CD1 3.77Å; M153-L174 HydrophobicContact CG-CD1 3.72Å; M153-L174 HydrophobicContact SD-CD1 4.26Å; L172-L174 HydrophobicContact CD1-CB 3.72Å; L174-Q176 HydrophobicContact CG-CG 4.45Å; L174-L212 HydrophobicContact CD1-CD1 4.28Å; L174-L212 HydrophobicContact CD2-CD1 4.13Å; L174-L212 HydrophobicContact CD2-CD2 3.71Å; L174-F214 HydrophobicContact CD2-CZ 4.14Å; L174-S243 CarbonylContact O-C 3.5Å; L174-S243 VanDerWaalsContact O-CA 3.3Å; L174-S243 WeakPolarHBondContact O-CA 3.1Å; L174-Q244 HydrophobicContact CB-CG 4.18Å; L174-Q244 PolarHBondContact N-O 2.82Å; L174-Q244 PolarHBondContact O-N 3.06Å; L174-I246 HydrophobicContact CB-CD1 4.07Å; L174-I246 HydrophobicContact CD2-CD1 4.05Å
175	R	97.5	Very high	95.2	Very high	64 Å²	64	34.9 Å²	34.9	24%	0.242	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.7	176.7	-56.9	-174	-172.4	113.6	-7.5	110.1	V151 N152 L241 Y242 E291	V151-R175 WeakPolarHBondContact CA-O 3.23Å; N152-R175 HydrophobicContact CB-CB 4.37Å; N152-R175 PolarHBondContact N-O 3.09Å; N152-R175 PolarHBondContact O-N 2.6Å; N152-R175 WeakPolarHBondContact OD1-CD 3.44Å; N152-R175 PolarHBondContact OD1-NH1 2.95Å; R175-L241 HydrophobicContact CB-CD1 4.5Å; R175-Y242 CarbonylContact C-O 3.49Å; R175-Y242 WeakPolarHBondContact CA-O 3.22Å; R175-E291 IonicContact NH1-OE1 3.34Å; R175-E291 PolarHBondContact NH1-OE1 3.08Å; R175-E291 IonicContact NH1-OE2 3.81Å
176	Q	97.7	Very high	95	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	178	-62.9	175.3	70.8	0	0	108.1	V149 T150 L174 W178 L212 Y242	V149-Q176 HydrophobicContact CG1-CB 4.02Å; V149-Q176 HydrophobicContact CG1-CG 4.47Å; T150-Q176 CarbonylContact O-C 3.53Å; T150-Q176 WeakPolarHBondContact O-CA 3.28Å; L174-Q176 HydrophobicContact CG-CG 4.45Å; Q176-W178 HydrophobicContact CB-CE3 4.44Å; Q176-W178 HydrophobicContact CB-CZ3 4.32Å; Q176-L212 HydrophobicContact CG-CD1 3.89Å; Q176-Y242 PolarHBondContact N-O 3.18Å; Q176-Y242 PolarHBondContact O-N 3.29Å
177	V	97.3	Very high	94.6	Very high	52 Å²	52	43.3 Å²	43.3	32%	0.315	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	177	-176.6	0	0	0	0	109.1	V149 T150 V240 L241	V149-V177 CarbonylContact C-O 3.54Å; V149-V177 WeakPolarHBondContact CA-O 3.49Å; T150-V177 PolarHBondContact N-O 3.04Å; T150-V177 PolarHBondContact O-N 2.87Å; V177-V240 VanDerWaalsContact CA-O 3.3Å; V177-V240 WeakPolarHBondContact CA-O 3.45Å; V177-L241 HydrophobicContact CG2-CD1 3.63Å
178	W	96.5	Very high	94.1	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167.9	174	72.4	98.6	0	0	0	110	V149 Q176 W208 L209 P210 L232 N239 V240	V149-W178 HydrophobicContact CB-CB 4.44Å; V149-W178 HydrophobicContact CG1-CB 4.48Å; V149-W178 HydrophobicContact CG2-CB 3.91Å; Q176-W178 HydrophobicContact CB-CE3 4.44Å; Q176-W178 HydrophobicContact CB-CZ3 4.32Å; W178-W208 WeakPolarHBondContact CZ2-O 3.3Å; W178-W208 AromaticContact NE1-CE3 3.95Å; W178-W208 AromaticContact NE1-CZ3 3.98Å; W178-L209 HydrophobicContact CH2-CD2 3.7Å; W178-L209 HydrophobicContact CZ2-CD2 4.1Å; W178-P210 HydrophobicContact CD2-CG 4.12Å; W178-P210 HydrophobicContact CE3-CG 3.94Å; W178-P210 HydrophobicContact CZ3-CG 4.21Å; W178-L232 HydrophobicContact CH2-CD1 4.39Å; W178-N239 CarbonylContact O-C 3.6Å; W178-N239 WeakPolarHBondContact O-CA 3.3Å; W178-V240 HydrophobicContact CD2-CB 3.95Å; W178-V240 HydrophobicContact CE3-CB 4.22Å; W178-V240 HydrophobicContact CE3-CG1 4.47Å; W178-V240 HydrophobicContact CH2-CB 3.91Å; W178-V240 HydrophobicContact CH2-CG1 3.38Å; W178-V240 HydrophobicContact CZ2-CB 3.61Å; W178-V240 HydrophobicContact CZ2-CG1 3.41Å; W178-V240 VanDerWaalsContact CZ2-CG1 3.41Å; W178-V240 HydrophobicContact CZ2-CG2 4.09Å; W178-V240 HydrophobicContact CZ3-CB 4.19Å; W178-V240 HydrophobicContact CZ3-CG1 3.95Å; W178-V240 PolarHBondContact N-O 2.99Å; W178-V240 VanDerWaalsContact N-O 3.17Å; W178-V240 PolarHBondContact O-N 3.01Å
179	R	95.2	Very high	93.5	Very high	145 Å²	145	50 Å²	50	55%	0.547	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	176.1	-170.3	174.2	-175	-177.1	-1.2	110	N237 N239	R179-N237 PolarHBondContact NE-O 2.68Å; R179-N239 WeakPolarHBondContact CG-OD1 3.33Å
180	D	94.5	Very high	93	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.247	C	C	.	.			trans	-122	105.7	169.2	-169.1	-19.1	0	0	0	109.3	Y134 P140 R182 L183 G238	Y134-D180 VanDerWaalsContact CE2-OD2 3.25Å; Y134-D180 WeakPolarHBondContact CE2-OD2 3.46Å; Y134-D180 PolarHBondContact OH-OD2 2.72Å; P140-D180 HydrophobicContact CB-CB 4.05Å; P140-D180 HydrophobicContact CG-CB 4Å; D180-R182 PolarHBondContact O-N 3.03Å; D180-R182 VanDerWaalsContact O-N 3.16Å; D180-R182 VanDerWaalsContact OD1-CB 3.26Å; D180-R182 WeakPolarHBondContact OD1-CB 3.37Å; D180-R182 WeakPolarHBondContact OD1-CG 3.45Å; D180-R182 IonicContact OD1-CZ 3.77Å; D180-R182 PolarHBondContact OD1-N 2.04Å; D180-R182 IonicContact OD1-NE 2.81Å; D180-R182 PolarHBondContact OD1-NE 2.87Å; D180-R182 IonicContact OD1-NH2 3.49Å; D180-R182 IonicContact OD2-CZ 2.83Å; D180-R182 IonicContact OD2-NE 3.83Å; D180-R182 PolarHBondContact OD2-NE 2.84Å; D180-R182 IonicContact OD2-NH2 3.89Å; D180-R182 PolarHBondContact OD2-NH2 2.88Å; D180-L183 HydrophobicContact CB-CB 4.49Å; D180-L183 HydrophobicContact CB-CD1 3.94Å; D180-L183 HydrophobicContact CB-CG 4.07Å; D180-L183 PolarHBondContact O-N 2.96Å; D180-G238 PolarHBondContact N-O 3.03Å; D180-G238 WeakPolarHBondContact O-CA 3.33Å
181	R	91.9	Very high	92.4	Very high	166 Å²	166	54.7 Å²	54.7	63%	0.626	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.7	-178.7	-67.8	-177.5	63.8	-135.8	-2.1	112.7	L183 S184	R181-L183 PolarHBondContact O-N 3.24Å; R181-S184 VanDerWaalsContact O-CB 3.29Å; R181-S184 WeakPolarHBondContact O-CB 3.47Å; R181-S184 PolarHBondContact O-N 3.21Å; R181-S184 VanDerWaalsContact O-N 3.16Å
182	R	91.7	Very high	91.8	Very high	60 Å²	60	55.7 Å²	55.7	23%	0.226	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68.5	-18.1	178.2	-54.7	172.5	-66.3	178.5	3.3	112.3	Y134 R135 E138 P141 D180	Y134-R182 HydrophobicContact CD2-CB 3.93Å; Y134-R182 HydrophobicContact CE2-CB 3.98Å; Y134-R182 PolarHBondContact OH-NH2 2.86Å; R135-R182 PolarHBondContact O-NH1 2.88Å; R135-R182 VanDerWaalsContact O-NH1 3.16Å; E138-R182 PolarHBondContact O-NH1 2.84Å; E138-R182 VanDerWaalsContact O-NH1 3.16Å; E138-R182 PolarHBondContact O-NH2 3.25Å; P141-R182 HydrophobicContact CG-CG 4.21Å; D180-R182 PolarHBondContact O-N 3.03Å; D180-R182 VanDerWaalsContact O-N 3.16Å; D180-R182 VanDerWaalsContact OD1-CB 3.26Å; D180-R182 WeakPolarHBondContact OD1-CB 3.37Å; D180-R182 WeakPolarHBondContact OD1-CG 3.45Å; D180-R182 IonicContact OD1-CZ 3.77Å; D180-R182 PolarHBondContact OD1-N 2.04Å; D180-R182 IonicContact OD1-NE 2.81Å; D180-R182 PolarHBondContact OD1-NE 2.87Å; D180-R182 IonicContact OD1-NH2 3.49Å; D180-R182 IonicContact OD2-CZ 2.83Å; D180-R182 IonicContact OD2-NE 3.83Å; D180-R182 PolarHBondContact OD2-NE 2.84Å; D180-R182 IonicContact OD2-NH2 3.89Å; D180-R182 PolarHBondContact OD2-NH2 2.88Å
183	L	92.5	Very high	91.2	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-98.3	3.4	177.1	-57.8	179.1	0	0	0	113	I130 M131 Y134 D180 R181 W185 L207 V234 V240	I130-L183 HydrophobicContact CG2-CD2 3.46Å; I130-L183 VanDerWaalsContact CG2-CD2 3.46Å; M131-L183 HydrophobicContact CE-CD2 4.27Å; Y134-L183 HydrophobicContact CD2-CD2 3.52Å; Y134-L183 HydrophobicContact CD2-CG 4.26Å; Y134-L183 HydrophobicContact CE2-CD1 4.29Å; Y134-L183 HydrophobicContact CE2-CD2 3.4Å; Y134-L183 VanDerWaalsContact CE2-CD2 3.4Å; Y134-L183 HydrophobicContact CE2-CG 3.71Å; Y134-L183 HydrophobicContact CG-CD2 4.27Å; D180-L183 HydrophobicContact CB-CB 4.49Å; D180-L183 HydrophobicContact CB-CD1 3.94Å; D180-L183 HydrophobicContact CB-CG 4.07Å; D180-L183 PolarHBondContact O-N 2.96Å; R181-L183 PolarHBondContact O-N 3.24Å; L183-W185 WeakPolarHBondContact O-CZ3 3.41Å; L183-L207 HydrophobicContact CD1-CD1 4Å; L183-L207 HydrophobicContact CD1-CD2 3.72Å; L183-L207 HydrophobicContact CD1-CG 4.49Å; L183-L207 HydrophobicContact CD2-CD2 3.52Å; L183-L207 HydrophobicContact CG-CD2 4.26Å; L183-V234 HydrophobicContact CB-CG1 3.83Å; L183-V234 HydrophobicContact CD1-CG1 4.19Å; L183-V234 HydrophobicContact CD1-CG2 4.46Å; L183-V240 HydrophobicContact CD1-CG2 3.61Å
184	S	91.9	Very high	90.7	Very high	17 Å²	17	63.7 Å²	63.7	12%	0.119	30%	0.297	C	S	.	.			trans	-75.5	134.7	175.7	-179.9	0	0	0	0	110.6	R181 P236	R181-S184 VanDerWaalsContact O-CB 3.29Å; R181-S184 WeakPolarHBondContact O-CB 3.47Å; R181-S184 PolarHBondContact O-N 3.21Å; R181-S184 VanDerWaalsContact O-N 3.16Å; S184-P236 WeakPolarHBondContact CA-O 3.41Å; S184-P236 PolarHBondContact OG-O 2.79Å
185	W	91.2	Very high	90.3	Very high	2 Å²	2	69 Å²	69	1%	0.008	33%	0.325	C	S	.	.			trans	-123.3	2	166.5	64.2	90.1	0	0	0	112.8	I126 I130 L183 D187 I188 F194 L198 V234 H235 P236	I126-W185 HydrophobicContact CG2-CB 4.26Å; I126-W185 HydrophobicContact CG2-CD2 3.88Å; I126-W185 HydrophobicContact CG2-CE3 4.06Å; I126-W185 HydrophobicContact CG2-CG 3.99Å; I130-W185 HydrophobicContact CD1-CB 4.34Å; I130-W185 HydrophobicContact CD1-CD2 4.37Å; I130-W185 HydrophobicContact CD1-CE3 3.56Å; I130-W185 HydrophobicContact CD1-CZ3 4.23Å; L183-W185 WeakPolarHBondContact O-CZ3 3.41Å; W185-D187 PolarHBondContact O-N 2.78Å; W185-I188 HydrophobicContact CB-CD1 4.02Å; W185-I188 WeakPolarHBondContact O-CB 3.33Å; W185-I188 PolarHBondContact O-N 2.93Å; W185-I188 VanDerWaalsContact O-N 3.09Å; W185-F194 HydrophobicContact CZ2-CD1 4.28Å; W185-F194 AromaticContact NE1-CD1 3.83Å; W185-F194 PolarHBondContact NE1-O 3.39Å; W185-L198 HydrophobicContact CE3-CD1 4.33Å; W185-L198 HydrophobicContact CH2-CB 4.46Å; W185-L198 HydrophobicContact CH2-CD1 3.74Å; W185-L198 HydrophobicContact CH2-CG 3.69Å; W185-L198 HydrophobicContact CZ2-CD1 4.44Å; W185-L198 HydrophobicContact CZ2-CG 4.2Å; W185-L198 HydrophobicContact CZ3-CD1 3.68Å; W185-L198 HydrophobicContact CZ3-CG 4.18Å; W185-V234 HydrophobicContact CH2-CG1 4.39Å; W185-V234 WeakPolarHBondContact CH2-O 3.5Å; W185-V234 HydrophobicContact CZ3-CG1 3.85Å; W185-H235 VanDerWaalsContact CH2-C 3.46Å; W185-P236 HydrophobicContact CD2-CB 4.37Å; W185-P236 VanDerWaalsContact CE2-CA 3.47Å; W185-P236 HydrophobicContact CH2-CG 4.39Å; W185-P236 VanDerWaalsContact CZ2-CA 3.42Å; W185-P236 HydrophobicContact CZ2-CB 3.84Å; W185-P236 HydrophobicContact CZ2-CG 3.6Å; W185-P236 PolarHBondContact N-O 2.85Å; W185-P236 VanDerWaalsContact N-O 3.1Å
186	Y	88.4	Confident	89.8	Confident	140 Å²	140	71.2 Å²	71.2	55%	0.549	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36	178	-178.8	-100	0	0	0	112.3	I188 P236	Y186-I188 VanDerWaalsContact C-N 3.25Å; Y186-I188 PolarHBondContact O-N 2.79Å; Y186-P236 WeakPolarHBondContact CB-O 3.39Å; Y186-P236 PolarHBondContact N-O 2.77Å; Y186-P236 VanDerWaalsContact N-O 3.14Å
187	D	86	Confident	89.5	Confident	122 Å²	122	72.5 Å²	72.5	65%	0.652	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.5	-179.3	-52.6	-50.9	0	0	0	113.1	W185 P189	W185-D187 PolarHBondContact O-N 2.78Å; D187-P189 WeakPolarHBondContact O-CD 3.43Å
188	I	87.4	Confident	89.2	Confident	43 Å²	43	70.6 Å²	70.6	22%	0.221	34%	0.335	C	S	.	.			trans	-93.2	110.4	-178.3	-55.1	176.6	0	0	0	108.3	L129 W185 Y186 E190 Y191 S192	L129-I188 HydrophobicContact CD2-CD1 3.89Å; W185-I188 HydrophobicContact CB-CD1 4.02Å; W185-I188 WeakPolarHBondContact O-CB 3.33Å; W185-I188 PolarHBondContact O-N 2.93Å; W185-I188 VanDerWaalsContact O-N 3.09Å; Y186-I188 VanDerWaalsContact C-N 3.25Å; Y186-I188 PolarHBondContact O-N 2.79Å; I188-E190 HydrophobicContact CG2-CB 4.49Å; I188-E190 WeakPolarHBondContact CG2-OE2 3.3Å; I188-E190 PolarHBondContact O-N 2.99Å; I188-E190 VanDerWaalsContact O-N 3.13Å; I188-Y191 HydrophobicContact CB-CD2 4.34Å; I188-Y191 HydrophobicContact CG2-CD2 3.68Å; I188-Y191 HydrophobicContact CG2-CE2 4.33Å; I188-Y191 PolarHBondContact O-N 3.15Å; I188-S192 PolarHBondContact O-N 3.29Å
189	P	84.7	Confident	88.9	Confident	100 Å²	100	74.2 Å²	74.2	65%	0.649	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.1	-173.3	-27.3	35.4	0	0	0	113.5	D187 Y191 S192	D187-P189 WeakPolarHBondContact O-CD 3.43Å; P189-Y191 PolarHBondContact O-N 3.43Å; P189-S192 PolarHBondContact O-OG 3.4Å
190	E	84.6	Confident	88.4	Confident	137 Å²	137	69.2 Å²	69.2	64%	0.64	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.7	-178.2	-60.6	83.8	179.9	0	0	113.8	I188	I188-E190 HydrophobicContact CG2-CB 4.49Å; I188-E190 WeakPolarHBondContact CG2-OE2 3.3Å; I188-E190 PolarHBondContact O-N 2.99Å; I188-E190 VanDerWaalsContact O-N 3.13Å
191	Y	85.8	Confident	87.9	Confident	23 Å²	23	73 Å²	73	9%	0.09	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	1.7	-176	-56.8	-70.7	0	0	0	113.6	M122 R125 I126 L129 I188 P189 Q193 F194	M122-Y191 HydrophobicContact CG-CD1 4.07Å; M122-Y191 HydrophobicContact CG-CE1 4.32Å; R125-Y191 HydrophobicContact CB-CE1 4.19Å; R125-Y191 PolarHBondContact NE-OH 3.32Å; R125-Y191 PolarHBondContact NH2-OH 3.37Å; I126-Y191 HydrophobicContact CD1-CD1 3.82Å; I126-Y191 HydrophobicContact CD1-CG 4.13Å; I126-Y191 HydrophobicContact CG1-CD1 3.38Å; I126-Y191 HydrophobicContact CG1-CD2 4.29Å; I126-Y191 HydrophobicContact CG1-CE1 3.79Å; I126-Y191 HydrophobicContact CG1-CG 3.65Å; L129-Y191 HydrophobicContact CD2-CD2 4.17Å; L129-Y191 HydrophobicContact CD2-CE2 3.65Å; I188-Y191 HydrophobicContact CB-CD2 4.34Å; I188-Y191 HydrophobicContact CG2-CD2 3.68Å; I188-Y191 HydrophobicContact CG2-CE2 4.33Å; I188-Y191 PolarHBondContact O-N 3.15Å; P189-Y191 PolarHBondContact O-N 3.43Å; Y191-Q193 PolarHBondContact O-N 3.25Å; Y191-Q193 VanDerWaalsContact O-N 3.08Å; Y191-F194 WeakPolarHBondContact O-CB 3.43Å; Y191-F194 PolarHBondContact O-N 3.21Å
192	S	82.1	Confident	87.5	Confident	48 Å²	48	72.8 Å²	72.8	34%	0.336	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.8	-179.5	60.3	0	0	0	0	114.2	I188 P189 F194	I188-S192 PolarHBondContact O-N 3.29Å; P189-S192 PolarHBondContact O-OG 3.4Å; S192-F194 VanDerWaalsContact C-N 3.32Å
193	Q	84.8	Confident	87.2	Confident	180 Å²	180	70.1 Å²	70.1	84%	0.841	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.4	177.7	-62	-176.6	-0.7	0	0	113.3	Y191 N195	Y191-Q193 PolarHBondContact O-N 3.25Å; Y191-Q193 VanDerWaalsContact O-N 3.08Å; Q193-N195 PolarHBondContact O-N 2.83Å
194	F	85.8	Confident	87	Confident	27 Å²	27	72.2 Å²	72.2	12%	0.118	37%	0.372	C	S	.	.			trans	-86.9	93.3	-178.4	-169.6	-95.7	0	0	0	111.3	M122 R123 I126 W185 Y191 S192 E196 L198	M122-F194 HydrophobicContact CG-CD2 4.26Å; M122-F194 HydrophobicContact SD-CB 3.83Å; M122-F194 HydrophobicContact SD-CD2 3.6Å; M122-F194 VanDerWaalsContact SD-CD2 3.6Å; M122-F194 HydrophobicContact SD-CG 4.01Å; R123-F194 HydrophobicContact CG-CE1 4.18Å; R123-F194 HydrophobicContact CG-CE2 4Å; R123-F194 HydrophobicContact CG-CZ 3.42Å; R123-F194 VanDerWaalsContact CG-CZ 3.42Å; I126-F194 HydrophobicContact CD1-CB 3.99Å; I126-F194 HydrophobicContact CD1-CD1 3.46Å; I126-F194 VanDerWaalsContact CD1-CD1 3.46Å; I126-F194 HydrophobicContact CD1-CE1 4.11Å; I126-F194 HydrophobicContact CD1-CG 3.76Å; W185-F194 HydrophobicContact CZ2-CD1 4.28Å; W185-F194 AromaticContact NE1-CD1 3.83Å; W185-F194 PolarHBondContact NE1-O 3.39Å; Y191-F194 WeakPolarHBondContact O-CB 3.43Å; Y191-F194 PolarHBondContact O-N 3.21Å; S192-F194 VanDerWaalsContact C-N 3.32Å; F194-E196 HydrophobicContact CE1-CB 3.88Å; F194-E196 VanDerWaalsContact CE1-O 3.23Å; F194-E196 WeakPolarHBondContact CE1-O 3.24Å; F194-E196 HydrophobicContact CE2-CB 4.15Å; F194-E196 HydrophobicContact CZ-CB 3.62Å; F194-E196 HydrophobicContact CZ-CG 4.45Å; F194-L198 HydrophobicContact CE1-CD2 4.19Å
195	N	87.7	Confident	86.9	Confident	111 Å²	111	79.3 Å²	79.3	59%	0.594	40%	0.403	S	S	*	.			trans	-94.4	1.6	-176.4	-73.9	-28.8	0	0	0	115.2	Q193	Q193-N195 PolarHBondContact O-N 2.83Å
196	E	88.5	Confident	86.9	Confident	110 Å²	110	83.6 Å²	83.6	51%	0.514	42%	0.424	S	S	.	.	S	Bend	trans	-79.4	139.1	-179.1	-71.3	-75.7	165.2	0	0	111.3	F194	F194-E196 HydrophobicContact CE1-CB 3.88Å; F194-E196 VanDerWaalsContact CE1-O 3.23Å; F194-E196 WeakPolarHBondContact CE1-O 3.24Å; F194-E196 HydrophobicContact CE2-CB 4.15Å; F194-E196 HydrophobicContact CZ-CB 3.62Å; F194-E196 HydrophobicContact CZ-CG 4.45Å
197	P	91.4	Very high	87.1	Confident	33 Å²	33	77.4 Å²	77.4	21%	0.214	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-68	141.5	174.9	28.4	-33.1	0	0	0	111.2	V199 R233 V234	P197-V199 HydrophobicContact CB-CG2 4.5Å; P197-V199 HydrophobicContact CG-CG2 4.42Å; P197-V199 PolarHBondContact O-N 2.65Å; P197-R233 HydrophobicContact CB-CB 4.36Å; P197-V234 CarbonylContact C-O 3.56Å; P197-V234 VanDerWaalsContact CA-O 3.22Å; P197-V234 WeakPolarHBondContact CA-O 3.14Å
198	L	90.8	Very high	87.5	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.8	170	-62.5	171.6	0	0	0	108.7	R123 I126 V127 W185 F194 L203 R233 V234	R123-L198 HydrophobicContact CB-CD2 4.27Å; R123-L198 HydrophobicContact CG-CD2 4.23Å; I126-L198 HydrophobicContact CG2-CD1 3.92Å; V127-L198 HydrophobicContact CG2-CD1 3.96Å; V127-L198 HydrophobicContact CG2-CD2 4.14Å; W185-L198 HydrophobicContact CE3-CD1 4.33Å; W185-L198 HydrophobicContact CH2-CB 4.46Å; W185-L198 HydrophobicContact CH2-CD1 3.74Å; W185-L198 HydrophobicContact CH2-CG 3.69Å; W185-L198 HydrophobicContact CZ2-CD1 4.44Å; W185-L198 HydrophobicContact CZ2-CG 4.2Å; W185-L198 HydrophobicContact CZ3-CD1 3.68Å; W185-L198 HydrophobicContact CZ3-CG 4.18Å; F194-L198 HydrophobicContact CE1-CD2 4.19Å; L198-L203 HydrophobicContact CB-CD1 4.29Å; L198-R233 WeakPolarHBondContact O-CA 3.39Å; L198-V234 HydrophobicContact CB-CB 4.34Å; L198-V234 PolarHBondContact N-O 2.85Å; L198-V234 PolarHBondContact O-N 3.13Å
199	V	89.3	Confident	87.9	Confident	81 Å²	81	72.4 Å²	72.4	49%	0.491	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.7	179	-170.2	0	0	0	0	108.4	P197 L231 R233	P197-V199 HydrophobicContact CB-CG2 4.5Å; P197-V199 HydrophobicContact CG-CG2 4.42Å; P197-V199 PolarHBondContact O-N 2.65Å; V199-L231 HydrophobicContact CG1-CD1 3.79Å; V199-R233 HydrophobicContact CG2-CG 3.91Å
200	S	85.3	Confident	88.4	Confident	40 Å²	40	68.2 Å²	68.2	28%	0.28	35%	0.345	S	S	.	.			trans	-153.5	128.2	174.8	170.8	0	0	0	0	110	K202 L203	S200-K202 PolarHBondContact O-N 2.82Å; S200-K202 PolarHBondContact OG-N 2.92Å; S200-L203 WeakPolarHBondContact O-CB 3.34Å; S200-L203 PolarHBondContact O-N 3.42Å
201	P	83.1	Confident	88.9	Confident	79 Å²	79	63.5 Å²	63.5	51%	0.513	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-59.3	-32.3	175	-25.1	34.5	0	0	0	113.2	L203 K204 Y230	P201-L203 PolarHBondContact O-N 2.84Å; P201-K204 WeakPolarHBondContact O-CB 3.39Å; P201-K204 PolarHBondContact O-N 2.81Å; P201-K204 VanDerWaalsContact O-N 3.15Å; P201-Y230 HydrophobicContact CB-CE2 4.1Å; P201-Y230 PolarHBondContact O-OH 3.38Å
202	K	84	Confident	89.4	Confident	163 Å²	163	63.7 Å²	63.7	71%	0.709	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27	179.7	-64.7	-175.2	177.8	-178.6	0	112.9	S200 K204 E205	S200-K202 PolarHBondContact O-N 2.82Å; S200-K202 PolarHBondContact OG-N 2.92Å; K202-K204 PolarHBondContact O-N 2.96Å; K202-E205 PolarHBondContact O-N 2.8Å
203	L	86.7	Confident	90	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-63.9	-25.6	178.4	-68.4	168.8	0	0	0	112.1	V127 M131 L198 S200 P201 E205 Q206 L207 L232	V127-L203 HydrophobicContact CG1-CD2 4.2Å; M131-L203 HydrophobicContact CE-CD2 3.41Å; M131-L203 VanDerWaalsContact CE-CD2 3.41Å; L198-L203 HydrophobicContact CB-CD1 4.29Å; S200-L203 WeakPolarHBondContact O-CB 3.34Å; S200-L203 PolarHBondContact O-N 3.42Å; P201-L203 PolarHBondContact O-N 2.84Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 2.88Å; L203-Q206 PolarHBondContact O-N 3.01Å; L203-Q206 VanDerWaalsContact O-N 3.08Å; L203-L207 HydrophobicContact CB-CD1 4.3Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 2.94Å; L203-L232 HydrophobicContact CB-CD2 3.67Å
204	K	88.4	Confident	90.6	Very high	45 Å²	45	56.8 Å²	56.8	20%	0.196	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-57.6	-40.7	-178.5	-177.6	-174.9	168	172.1	0	112.3	P201 K202 Q206 L209 Y230 L232 Y242	P201-K204 WeakPolarHBondContact O-CB 3.39Å; P201-K204 PolarHBondContact O-N 2.81Å; P201-K204 VanDerWaalsContact O-N 3.15Å; K202-K204 PolarHBondContact O-N 2.96Å; K204-Q206 VanDerWaalsContact C-N 3.27Å; K204-Q206 PolarHBondContact O-N 3.11Å; K204-L209 HydrophobicContact CG-CD1 3.86Å; K204-Y230 HydrophobicContact CB-CE2 3.87Å; K204-Y230 HydrophobicContact CD-CD1 3.87Å; K204-Y230 HydrophobicContact CD-CD2 3.78Å; K204-Y230 HydrophobicContact CD-CE1 3.52Å; K204-Y230 HydrophobicContact CD-CE2 3.48Å; K204-Y230 VanDerWaalsContact CD-CE2 3.48Å; K204-Y230 HydrophobicContact CD-CG 4Å; K204-Y230 HydrophobicContact CG-CE2 4.24Å; K204-L232 HydrophobicContact CB-CD2 4.39Å; K204-Y242 HydrophobicContact CD-CE2 4.24Å; K204-Y242 VanDerWaalsContact CE-OH 3.3Å; K204-Y242 WeakPolarHBondContact CE-OH 3.46Å; K204-Y242 HydrophobicContact CG-CE2 4.49Å; K204-Y242 PolarHBondContact NZ-OH 2.92Å
205	E	88.2	Confident	91	Very high	167 Å²	167	58.1 Å²	58.1	78%	0.78	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-77.6	-16.4	-177.8	-65.1	174.1	-175.7	0	0	112.6	K202 L203	K202-E205 PolarHBondContact O-N 2.8Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 2.88Å
206	Q	90.8	Very high	91.4	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.43	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-11.3	-175.6	-62.3	179.4	-13.8	0	0	113	M131 Y134 S136 L203 K204	M131-Q206 HydrophobicContact SD-CB 4.11Å; Y134-Q206 WeakPolarHBondContact CD1-O 3.35Å; Y134-Q206 WeakPolarHBondContact CE1-O 3.4Å; S136-Q206 WeakPolarHBondContact CB-O 3.31Å; L203-Q206 PolarHBondContact O-N 3.01Å; L203-Q206 VanDerWaalsContact O-N 3.08Å; K204-Q206 VanDerWaalsContact C-N 3.27Å; K204-Q206 PolarHBondContact O-N 3.11Å
207	L	93.6	Very high	91.8	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	26%	0.256	C	S	.	.	S	Bend	trans	-103.6	149.6	-177.7	-68	-173.3	0	0	0	112	M131 Y134 L183 L203 L232 V234	M131-L207 HydrophobicContact CE-CD2 3.43Å; M131-L207 VanDerWaalsContact CE-CD2 3.43Å; M131-L207 HydrophobicContact CE-CG 4.19Å; M131-L207 HydrophobicContact SD-CD2 4.16Å; Y134-L207 HydrophobicContact CD1-CD2 4.12Å; Y134-L207 HydrophobicContact CE1-CD2 3.69Å; Y134-L207 HydrophobicContact CE2-CD2 4.33Å; L183-L207 HydrophobicContact CD1-CD1 4Å; L183-L207 HydrophobicContact CD1-CD2 3.72Å; L183-L207 HydrophobicContact CD1-CG 4.49Å; L183-L207 HydrophobicContact CD2-CD2 3.52Å; L183-L207 HydrophobicContact CG-CD2 4.26Å; L203-L207 HydrophobicContact CB-CD1 4.3Å; L203-L207 WeakPolarHBondContact O-CB 3.42Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 2.94Å; L207-L232 HydrophobicContact CD1-CD2 3.63Å; L207-L232 HydrophobicContact CD1-CG 4.48Å; L207-L232 HydrophobicContact CG-CD2 4.49Å; L207-V234 HydrophobicContact CD1-CG2 3.81Å
208	W	94.8	Very high	92	Very high	11 Å²	11	52.1 Å²	52.1	4%	0.042	26%	0.264	C	S	.	.			trans	-67.5	134.2	165	178.9	90.6	0	0	0	108.8	Y134 S136 R139 P140 T147 W178 P210 Y275 L280	Y134-W208 PolarHBondContact OH-N 3.12Å; S136-W208 WeakPolarHBondContact O-CA 3.19Å; S136-W208 VanDerWaalsContact O-CB 3.26Å; S136-W208 WeakPolarHBondContact O-CB 3.36Å; R139-W208 HydrophobicContact CB-CZ2 4.01Å; P140-W208 VanDerWaalsContact CD-CZ3 3.49Å; P140-W208 HydrophobicContact CG-CD2 4.32Å; P140-W208 HydrophobicContact CG-CE3 3.66Å; P140-W208 HydrophobicContact CG-CZ3 3.8Å; T147-W208 HydrophobicContact CG2-CH2 4.4Å; T147-W208 HydrophobicContact CG2-CZ3 4.45Å; W178-W208 WeakPolarHBondContact CZ2-O 3.3Å; W178-W208 AromaticContact NE1-CE3 3.95Å; W178-W208 AromaticContact NE1-CZ3 3.98Å; W208-P210 HydrophobicContact CH2-CB 4.09Å; W208-P210 HydrophobicContact CH2-CG 3.96Å; W208-P210 HydrophobicContact CZ3-CB 4.34Å; W208-P210 HydrophobicContact CZ3-CG 3.72Å; W208-Y275 AromaticContact CZ2-CE2 3.98Å; W208-Y275 HydrophobicContact CZ2-CE2 3.98Å; W208-Y275 PolarHBondContact NE1-OH 3.37Å; W208-L280 HydrophobicContact CH2-CD1 3.83Å; W208-L280 HydrophobicContact CZ2-CD1 4.47Å
209	L	95.5	Very high	92.1	Very high	49 Å²	49	53.5 Å²	53.5	26%	0.257	27%	0.271	S	S	.	.			trans	-121.5	140.9	176.1	-60.2	176.2	0	0	0	109.1	W178 K204 L232	W178-L209 HydrophobicContact CH2-CD2 3.7Å; W178-L209 HydrophobicContact CZ2-CD2 4.1Å; K204-L209 HydrophobicContact CG-CD1 3.86Å; L209-L232 HydrophobicContact CD2-CD1 4.31Å
210	P	96	Very high	92.2	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.078	26%	0.264	C	S	.	.			trans	-58.5	142.6	171.9	-19.2	29.4	0	0	0	111.6	V149 W178 W208 L212 L280 F282	V149-P210 HydrophobicContact CG1-CB 4.46Å; V149-P210 HydrophobicContact CG1-CG 4.02Å; V149-P210 HydrophobicContact CG2-CB 4.12Å; V149-P210 HydrophobicContact CG2-CG 3.76Å; W178-P210 HydrophobicContact CD2-CG 4.12Å; W178-P210 HydrophobicContact CE3-CG 3.94Å; W178-P210 HydrophobicContact CZ3-CG 4.21Å; W208-P210 HydrophobicContact CH2-CB 4.09Å; W208-P210 HydrophobicContact CH2-CG 3.96Å; W208-P210 HydrophobicContact CZ3-CB 4.34Å; W208-P210 HydrophobicContact CZ3-CG 3.72Å; P210-L212 PolarHBondContact O-N 2.73Å; P210-L280 HydrophobicContact CB-CD2 4.44Å; P210-F282 HydrophobicContact CB-CE1 3.9Å; P210-F282 HydrophobicContact CB-CZ 4.15Å
211	D	94.7	Very high	92.5	Very high	39 Å²	39	56 Å²	56	21%	0.209	28%	0.277	C	S	.	.			trans	-85.4	43.1	-178.9	69.3	-19.8	0	0	0	112.6	F213 S272 Y273 G274 Y275 L280	D211-F213 PolarHBondContact O-N 2.93Å; D211-S272 WeakPolarHBondContact OD1-CB 3.44Å; D211-S272 PolarHBondContact OD1-OG 2.7Å; D211-S272 PolarHBondContact OD2-OG 3.43Å; D211-Y273 PolarHBondContact O-N 3.3Å; D211-Y273 PolarHBondContact OD2-N 3.41Å; D211-G274 PolarHBondContact OD2-N 2.96Å; D211-Y275 HydrophobicContact CB-CD2 4.45Å; D211-Y275 HydrophobicContact CB-CE2 4.41Å; D211-Y275 VanDerWaalsContact CG-CD2 3.5Å; D211-Y275 WeakPolarHBondContact OD1-CD2 3.41Å; D211-Y275 WeakPolarHBondContact OD2-CD2 3.34Å; D211-L280 WeakPolarHBondContact OD1-CD2 3.37Å
212	L	96.6	Very high	92.8	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	120.9	178.1	-170.9	160.6	0	0	0	109.5	V151 L174 Q176 P210 I270 F282	V151-L212 HydrophobicContact CG1-CD1 4.2Å; V151-L212 HydrophobicContact CG2-CD1 3.88Å; L174-L212 HydrophobicContact CD1-CD1 4.28Å; L174-L212 HydrophobicContact CD2-CD1 4.13Å; L174-L212 HydrophobicContact CD2-CD2 3.71Å; Q176-L212 HydrophobicContact CG-CD1 3.89Å; P210-L212 PolarHBondContact O-N 2.73Å; L212-I270 HydrophobicContact CD1-CG2 3.79Å; L212-I270 HydrophobicContact CD2-CG1 4.38Å; L212-I270 HydrophobicContact CD2-CG2 3.69Å; L212-I270 HydrophobicContact CG-CG2 3.5Å; L212-I270 VanDerWaalsContact CG-CG2 3.5Å; L212-F282 HydrophobicContact CB-CE1 4.07Å; L212-F282 HydrophobicContact CB-CE2 4.21Å; L212-F282 HydrophobicContact CB-CZ 3.66Å; L212-F282 HydrophobicContact CD1-CD1 4.39Å; L212-F282 HydrophobicContact CD1-CE1 4.19Å; L212-F282 HydrophobicContact CD1-CZ 4.42Å; L212-F282 HydrophobicContact CG-CE1 4.39Å; L212-F282 HydrophobicContact CG-CE2 4.32Å; L212-F282 HydrophobicContact CG-CZ 4.13Å
213	F	94.9	Very high	92.8	Very high	59 Å²	59	48.4 Å²	48.4	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157	174.3	83.4	-70.1	0	0	0	111.6	D211 R215 I270 G271 S272 Y273	D211-F213 PolarHBondContact O-N 2.93Å; F213-R215 HydrophobicContact CE1-CG 4.21Å; F213-R215 HydrophobicContact CE2-CB 4.28Å; F213-R215 HydrophobicContact CE2-CG 3.83Å; F213-R215 HydrophobicContact CZ-CG 3.62Å; F213-I270 WeakPolarHBondContact O-CA 3.34Å; F213-G271 WeakPolarHBondContact CD1-O 3.36Å; F213-G271 PolarHBondContact N-O 2.8Å; F213-G271 PolarHBondContact O-N 3.33Å; F213-S272 VanDerWaalsContact CE1-O 3.31Å; F213-S272 WeakPolarHBondContact CE1-O 3.43Å; F213-Y273 HydrophobicContact CD1-CD2 4.15Å; F213-Y273 HydrophobicContact CD1-CG 4.48Å; F213-Y273 HydrophobicContact CD2-CD2 4.07Å; F213-Y273 HydrophobicContact CE1-CD2 4.25Å; F213-Y273 HydrophobicContact CE2-CD2 4.11Å; F213-Y273 HydrophobicContact CG-CD2 4.07Å; F213-Y273 HydrophobicContact CZ-CD2 4.19Å
214	F	96.7	Very high	92.6	Very high	24 Å²	24	55.7 Å²	55.7	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.9	176.6	-64.1	-75.7	0	0	0	109.5	L172 L174 N216 G217 I246 M248 F250 I268 N269 I270	L172-F214 HydrophobicContact CD1-CZ 4.44Å; L174-F214 HydrophobicContact CD2-CZ 4.14Å; F214-N216 VanDerWaalsContact C-N 3.32Å; F214-N216 PolarHBondContact O-N 2.89Å; F214-G217 PolarHBondContact O-N 3Å; F214-G217 VanDerWaalsContact O-N 3.13Å; F214-I246 HydrophobicContact CE2-CD1 3.94Å; F214-I246 HydrophobicContact CZ-CD1 4.32Å; F214-M248 HydrophobicContact CD2-CE 3.83Å; F214-M248 HydrophobicContact CD2-CG 4.23Å; F214-M248 HydrophobicContact CD2-SD 4.31Å; F214-M248 HydrophobicContact CE2-CE 4.1Å; F214-M248 HydrophobicContact CG-CG 4.45Å; F214-F250 HydrophobicContact CB-CE1 3.8Å; F214-F250 AromaticContact CD1-CE1 3.51Å; F214-F250 HydrophobicContact CD1-CE1 3.51Å; F214-F250 AromaticContact CD1-CZ 3.64Å; F214-F250 HydrophobicContact CD1-CZ 3.64Å; F214-F250 HydrophobicContact CE1-CE1 4.23Å; F214-F250 AromaticContact CE1-CZ 3.9Å; F214-F250 HydrophobicContact CE1-CZ 3.9Å; F214-F250 AromaticContact CG-CE1 3.75Å; F214-F250 HydrophobicContact CG-CE1 3.75Å; F214-F250 HydrophobicContact CG-CZ 4.02Å; F214-I268 HydrophobicContact CD1-CG2 3.77Å; F214-I268 HydrophobicContact CE1-CG2 3.82Å; F214-N269 CarbonylContact C-O 3.59Å; F214-N269 WeakPolarHBondContact CA-O 3.25Å; F214-I270 HydrophobicContact CD1-CG1 3.81Å; F214-I270 HydrophobicContact CE1-CD1 4.04Å; F214-I270 HydrophobicContact CE1-CG1 3.79Å
215	R	94.5	Very high	92	Very high	55 Å²	55	60.5 Å²	60.5	21%	0.208	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.7	-174.4	-59.5	-168.8	-176.3	-115.9	0	112.9	F213 N269 Y316 T324	F213-R215 HydrophobicContact CE1-CG 4.21Å; F213-R215 HydrophobicContact CE2-CB 4.28Å; F213-R215 HydrophobicContact CE2-CG 3.83Å; F213-R215 HydrophobicContact CZ-CG 3.62Å; R215-N269 HydrophobicContact CB-CB 4.22Å; R215-N269 WeakPolarHBondContact CD-OD1 3.35Å; R215-N269 PolarHBondContact N-O 2.81Å; R215-Y316 PolarHBondContact NH1-OH 3.35Å; R215-T324 PolarHBondContact NH2-O 3.33Å
216	N	96.1	Very high	91.8	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.08	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	13.5	178.2	72.9	-44.9	0	0	0	112.5	F214 F250 S251 H267 N269	F214-N216 VanDerWaalsContact C-N 3.32Å; F214-N216 PolarHBondContact O-N 2.89Å; N216-F250 WeakPolarHBondContact O-CA 3.39Å; N216-S251 PolarHBondContact ND2-O 2.81Å; N216-S251 PolarHBondContact O-N 2.99Å; N216-S251 PolarHBondContact O-OG 3.04Å; N216-H267 PolarHBondContact ND2-O 3.03Å; N216-N269 WeakPolarHBondContact OD1-CB 3.2Å; N216-N269 PolarHBondContact OD1-N 2.93Å
217	G	96.4	Very high	91.4	Very high	25 Å²	25	60.2 Å²	60.2	26%	0.258	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.8	170.5	0	0	0	0	0	110.3	F214 R249	F214-G217 PolarHBondContact O-N 3Å; F214-G217 VanDerWaalsContact O-N 3.13Å; G217-R249 CarbonylContact C-O 3.32Å; G217-R249 WeakPolarHBondContact CA-O 3.43Å
218	K	95.1	Very high	90.9	Very high	88 Å²	88	62.3 Å²	62.3	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.5	177.2	-64	-175.6	-178.4	177.5	0	111.8	T165 D167 R249	T165-K218 PolarHBondContact O-NZ 2.8Å; D167-K218 HydrophobicContact CB-CD 4.27Å; D167-K218 IonicContact OD2-NZ 2.96Å; D167-K218 PolarHBondContact OD2-NZ 3.49Å; K218-R249 VanDerWaalsContact CD-NH1 3.34Å; K218-R249 PolarHBondContact N-O 2.76Å
219	D	94.2	Very high	90.5	Very high	41 Å²	41	64.5 Å²	64.5	22%	0.219	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	160.5	174.9	62.9	-62.6	0	0	0	109.3	Y221 M248 R249	D219-Y221 VanDerWaalsContact OD2-CE2 3.31Å; D219-Y221 WeakPolarHBondContact OD2-CE2 3.47Å; D219-Y221 PolarHBondContact OD2-OH 2.88Å; D219-M248 VanDerWaalsContact C-SD 3.53Å; D219-R249 PolarHBondContact O-N 2.7Å; D219-R249 WeakPolarHBondContact OD1-CB 3.31Å; D219-R249 IonicContact OD1-CZ 3.7Å; D219-R249 IonicContact OD1-NE 3.21Å; D219-R249 PolarHBondContact OD1-NE 3.27Å; D219-R249 IonicContact OD1-NH2 3.48Å; D219-R249 PolarHBondContact OD1-NH2 3.22Å
220	G	91.9	Very high	90.3	Very high	32 Å²	32	64.1 Å²	64.1	33%	0.33	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	165.8	175.3	0	0	0	0	0	113.5	T247	G220-T247 CarbonylContact C-O 3.5Å; G220-T247 WeakPolarHBondContact CA-O 3.33Å
221	Y	90.8	Very high	90.1	Very high	140 Å²	140	66.2 Å²	66.2	55%	0.549	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.3	-169.3	-51.1	-87.9	0	0	0	109.5	D219 T247	D219-Y221 VanDerWaalsContact OD2-CE2 3.31Å; D219-Y221 WeakPolarHBondContact OD2-CE2 3.47Å; D219-Y221 PolarHBondContact OD2-OH 2.88Å; Y221-T247 PolarHBondContact N-O 2.85Å; Y221-T247 PolarHBondContact O-N 3.37Å; Y221-T247 VanDerWaalsContact O-N 3.08Å
222	L	88.6	Confident	90	Very high	50 Å²	50	64.5 Å²	64.5	26%	0.262	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.8	166.3	-171.8	76.9	0	0	0	108.2	K224 Y230 Q244 K245 I246	L222-K224 PolarHBondContact O-N 2.9Å; L222-Y230 HydrophobicContact CD2-CD1 4.31Å; L222-Q244 HydrophobicContact CD1-CB 4.1Å; L222-K245 WeakPolarHBondContact CD1-O 3.31Å; L222-I246 HydrophobicContact CD1-CG1 4.49Å
223	H	83.8	Confident	89.9	Confident	34 Å²	34	68.2 Å²	68.2	16%	0.157	34%	0.343	C	S	.	.			trans	-67.9	127.5	179.1	-59.3	-91.9	0	0	0	111.3	L225 N229 K245 T247	H223-L225 HydrophobicContact CB-CD1 4.44Å; H223-N229 HydrophobicContact CB-CB 4.22Å; H223-N229 WeakPolarHBondContact CB-ND2 3.49Å; H223-N229 PolarHBondContact O-N 2.86Å; H223-K245 VanDerWaalsContact CD2-CD 3.45Å; H223-K245 WeakPolarHBondContact CD2-CD 3.19Å; H223-K245 VanDerWaalsContact CD2-CG 3.46Å; H223-K245 WeakPolarHBondContact CD2-CG 3.38Å; H223-K245 PolarHBondContact CD2-O 3.04Å; H223-K245 WeakPolarHBondContact NE2-CE 3.39Å; H223-T247 PolarHBondContact CE1-OG1 2.91Å; H223-T247 PolarHBondContact NE2-OG1 2.89Å
224	K	82.8	Confident	89.9	Confident	157 Å²	157	65.6 Å²	65.6	68%	0.683	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-132.6	58.2	-178.4	-62.4	176.4	-174.1	179	0	110.9	L222	L222-K224 PolarHBondContact O-N 2.9Å
225	L	76.5	Confident	89.9	Confident	145 Å²	145	67.6 Å²	67.6	76%	0.759	34%	0.342	S	S	*	.	S	Bend	trans	-82.6	-51.9	-174	-80.2	132.1	0	0	0	113	H223	H223-L225 HydrophobicContact CB-CD1 4.44Å
226	T	82.9	Confident	89.8	Confident	132 Å²	132	65.7 Å²	65.7	81%	0.81	34%	0.336	S	S	*	.	S	Bend	trans	-117.2	-49.6	176.9	48.7	0	0	0	0	110.3
227	L	83.7	Confident	89.6	Confident	122 Å²	122	67.8 Å²	67.8	64%	0.639	35%	0.348	S	S	*	.	S	Bend	trans	-130.6	159	166.6	-70.8	167.9	0	0	0	107.8	N229	L227-N229 PolarHBondContact O-N 2.81Å; L227-N229 PolarHBondContact O-OD1 2.86Å
228	P	83	Confident	89.5	Confident	52 Å²	52	66.6 Å²	66.6	34%	0.338	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-54.1	124.8	166.8	-26.1	36.5	0	0	0	110.2	Y230	P228-Y230 HydrophobicContact CB-CD1 3.55Å; P228-Y230 HydrophobicContact CB-CE1 3.25Å; P228-Y230 HydrophobicContact CG-CE1 4.07Å; P228-Y230 PolarHBondContact O-N 2.82Å
229	N	87	Confident	89.5	Confident	58 Å²	58	64.9 Å²	64.9	31%	0.31	33%	0.33	S	S	.	.	S	Bend	trans	-79.5	64.5	-174.7	-72.5	-14	0	0	0	111.9	H223 L227 Q244 K245	H223-N229 HydrophobicContact CB-CB 4.22Å; H223-N229 WeakPolarHBondContact CB-ND2 3.49Å; H223-N229 PolarHBondContact O-N 2.86Å; L227-N229 PolarHBondContact O-N 2.81Å; L227-N229 PolarHBondContact O-OD1 2.86Å; N229-Q244 WeakPolarHBondContact O-CA 3.07Å; N229-K245 HydrophobicContact CB-CB 4.07Å; N229-K245 PolarHBondContact O-N 2.94Å
230	Y	90.1	Very high	89.6	Confident	41 Å²	41	62.9 Å²	62.9	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.8	168.8	63.8	-104.7	0	0	0	111.1	P201 K204 L222 P228 Y242 S243	P201-Y230 HydrophobicContact CB-CE2 4.1Å; P201-Y230 PolarHBondContact O-OH 3.38Å; K204-Y230 HydrophobicContact CB-CE2 3.87Å; K204-Y230 HydrophobicContact CD-CD1 3.87Å; K204-Y230 HydrophobicContact CD-CD2 3.78Å; K204-Y230 HydrophobicContact CD-CE1 3.52Å; K204-Y230 HydrophobicContact CD-CE2 3.48Å; K204-Y230 VanDerWaalsContact CD-CE2 3.48Å; K204-Y230 HydrophobicContact CD-CG 4Å; K204-Y230 HydrophobicContact CG-CE2 4.24Å; L222-Y230 HydrophobicContact CD2-CD1 4.31Å; P228-Y230 HydrophobicContact CB-CD1 3.55Å; P228-Y230 HydrophobicContact CB-CE1 3.25Å; P228-Y230 HydrophobicContact CG-CE1 4.07Å; P228-Y230 PolarHBondContact O-N 2.82Å; Y230-Y242 HydrophobicContact CD2-CE2 4.26Å; Y230-Y242 HydrophobicContact CG-CE2 4.22Å; Y230-S243 CarbonylContact C-O 3.55Å; Y230-S243 WeakPolarHBondContact CA-O 3.36Å
231	L	91.5	Very high	89.8	Confident	55 Å²	55	63.2 Å²	63.2	29%	0.288	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.1	175.7	170.4	67.6	0	0	0	107.4	V199 R233 Y242 S243	V199-L231 HydrophobicContact CG1-CD1 3.79Å; L231-R233 HydrophobicContact CD1-CG 3.92Å; L231-R233 HydrophobicContact CD2-CG 4.34Å; L231-R233 HydrophobicContact CG-CG 4.06Å; L231-Y242 WeakPolarHBondContact O-CA 3.41Å; L231-S243 PolarHBondContact N-O 3.2Å; L231-S243 PolarHBondContact O-N 2.87Å
232	L	93.8	Very high	90.1	Very high	3 Å²	3	57 Å²	57	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	172.2	-169.9	74.5	0	0	0	107.9	W178 L203 K204 L207 L209 V240 L241 Y242	W178-L232 HydrophobicContact CH2-CD1 4.39Å; L203-L232 HydrophobicContact CB-CD2 3.67Å; K204-L232 HydrophobicContact CB-CD2 4.39Å; L207-L232 HydrophobicContact CD1-CD2 3.63Å; L207-L232 HydrophobicContact CD1-CG 4.48Å; L207-L232 HydrophobicContact CG-CD2 4.49Å; L209-L232 HydrophobicContact CD2-CD1 4.31Å; L232-V240 HydrophobicContact CD1-CG1 3.6Å; L232-V240 HydrophobicContact CG-CG1 4.34Å; L232-L241 CarbonylContact C-O 3.53Å; L232-L241 WeakPolarHBondContact CA-O 3.04Å; L232-Y242 HydrophobicContact CB-CD2 4.43Å; L232-Y242 HydrophobicContact CD1-CD2 3.68Å; L232-Y242 HydrophobicContact CD1-CG 4.15Å
233	R	94.7	Very high	90.4	Very high	104 Å²	104	55.5 Å²	55.5	39%	0.392	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.1	174.3	-58.9	-166.3	171	153.8	-2.6	109.3	P197 L198 V199 L231 V240 L241	P197-R233 HydrophobicContact CB-CB 4.36Å; L198-R233 WeakPolarHBondContact O-CA 3.39Å; V199-R233 HydrophobicContact CG2-CG 3.91Å; L231-R233 HydrophobicContact CD1-CG 3.92Å; L231-R233 HydrophobicContact CD2-CG 4.34Å; L231-R233 HydrophobicContact CG-CG 4.06Å; R233-V240 CarbonylContact O-C 3.57Å; R233-V240 WeakPolarHBondContact O-CA 3.44Å; R233-L241 HydrophobicContact CB-CB 4.35Å; R233-L241 PolarHBondContact N-O 3.01Å; R233-L241 PolarHBondContact O-N 3.08Å
234	V	94.9	Very high	90.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.6	170.7	-172.9	0	0	0	0	107.5	L183 W185 P197 L198 L207 V240	L183-V234 HydrophobicContact CB-CG1 3.83Å; L183-V234 HydrophobicContact CD1-CG1 4.19Å; L183-V234 HydrophobicContact CD1-CG2 4.46Å; W185-V234 HydrophobicContact CH2-CG1 4.39Å; W185-V234 WeakPolarHBondContact CH2-O 3.5Å; W185-V234 HydrophobicContact CZ3-CG1 3.85Å; P197-V234 CarbonylContact C-O 3.56Å; P197-V234 VanDerWaalsContact CA-O 3.22Å; P197-V234 WeakPolarHBondContact CA-O 3.14Å; L198-V234 HydrophobicContact CB-CB 4.34Å; L198-V234 PolarHBondContact N-O 2.85Å; L198-V234 PolarHBondContact O-N 3.13Å; L207-V234 HydrophobicContact CD1-CG2 3.81Å; V234-V240 HydrophobicContact CG1-CG2 4.45Å; V234-V240 HydrophobicContact CG2-CG1 4.48Å; V234-V240 HydrophobicContact CG2-CG2 4.38Å
235	H	95.1	Very high	91.5	Very high	67 Å²	67	50.5 Å²	50.5	31%	0.31	26%	0.261	S	S	.	.			trans	-92.5	156.6	178	-70.7	-87.1	0	0	0	111.3	W185 N237 G238 N239	W185-H235 VanDerWaalsContact CH2-C 3.46Å; H235-N237 WeakPolarHBondContact CB-OD1 3.4Å; H235-N237 PolarHBondContact O-N 3.48Å; H235-G238 PolarHBondContact O-N 2.67Å; H235-N239 HydrophobicContact CB-CB 4.21Å; H235-N239 WeakPolarHBondContact CB-O 3.46Å; H235-N239 PolarHBondContact N-O 2.83Å
236	P	93.3	Very high	92.4	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30	-177.5	-25.9	31	0	0	0	115.7	S184 W185 Y186 G238	S184-P236 WeakPolarHBondContact CA-O 3.41Å; S184-P236 PolarHBondContact OG-O 2.79Å; W185-P236 HydrophobicContact CD2-CB 4.37Å; W185-P236 VanDerWaalsContact CE2-CA 3.47Å; W185-P236 HydrophobicContact CH2-CG 4.39Å; W185-P236 VanDerWaalsContact CZ2-CA 3.42Å; W185-P236 HydrophobicContact CZ2-CB 3.84Å; W185-P236 HydrophobicContact CZ2-CG 3.6Å; W185-P236 PolarHBondContact N-O 2.85Å; W185-P236 VanDerWaalsContact N-O 3.1Å; Y186-P236 WeakPolarHBondContact CB-O 3.39Å; Y186-P236 PolarHBondContact N-O 2.77Å; Y186-P236 VanDerWaalsContact N-O 3.14Å; P236-G238 VanDerWaalsContact C-N 3.26Å; P236-G238 PolarHBondContact O-N 2.86Å
237	N	92.6	Very high	93.1	Very high	60 Å²	60	38.7 Å²	38.7	32%	0.321	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.1	180	66.2	-6.2	0	0	0	114.5	R179 H235 N239	R179-N237 PolarHBondContact NE-O 2.68Å; H235-N237 WeakPolarHBondContact CB-OD1 3.4Å; H235-N237 PolarHBondContact O-N 3.48Å; N237-N239 PolarHBondContact ND2-ND2 3.37Å; N237-N239 VanDerWaalsContact ND2-ND2 3.14Å; N237-N239 VanDerWaalsContact OD1-CB 3.29Å; N237-N239 WeakPolarHBondContact OD1-CB 3.37Å; N237-N239 PolarHBondContact OD1-N 2.84Å
238	G	93	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	86.8	4.6	-176.1	0	0	0	0	0	114.8	D180 H235 P236	D180-G238 PolarHBondContact N-O 3.03Å; D180-G238 WeakPolarHBondContact O-CA 3.33Å; H235-G238 PolarHBondContact O-N 2.67Å; P236-G238 VanDerWaalsContact C-N 3.26Å; P236-G238 PolarHBondContact O-N 2.86Å
239	N	95.5	Very high	94.4	Very high	51 Å²	51	34.3 Å²	34.3	27%	0.273	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.7	173.3	-70.7	-9.1	0	0	0	110.2	W178 R179 H235 N237	W178-N239 CarbonylContact O-C 3.6Å; W178-N239 WeakPolarHBondContact O-CA 3.3Å; R179-N239 WeakPolarHBondContact CG-OD1 3.33Å; H235-N239 HydrophobicContact CB-CB 4.21Å; H235-N239 WeakPolarHBondContact CB-O 3.46Å; H235-N239 PolarHBondContact N-O 2.83Å; N237-N239 PolarHBondContact ND2-ND2 3.37Å; N237-N239 VanDerWaalsContact ND2-ND2 3.14Å; N237-N239 VanDerWaalsContact OD1-CB 3.29Å; N237-N239 WeakPolarHBondContact OD1-CB 3.37Å; N237-N239 PolarHBondContact OD1-N 2.84Å
240	V	96	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.5	176.4	-172.3	0	0	0	0	108.6	V177 W178 L183 L232 R233 V234	V177-V240 VanDerWaalsContact CA-O 3.3Å; V177-V240 WeakPolarHBondContact CA-O 3.45Å; W178-V240 HydrophobicContact CD2-CB 3.95Å; W178-V240 HydrophobicContact CE3-CB 4.22Å; W178-V240 HydrophobicContact CE3-CG1 4.47Å; W178-V240 HydrophobicContact CH2-CB 3.91Å; W178-V240 HydrophobicContact CH2-CG1 3.38Å; W178-V240 HydrophobicContact CZ2-CB 3.61Å; W178-V240 HydrophobicContact CZ2-CG1 3.41Å; W178-V240 VanDerWaalsContact CZ2-CG1 3.41Å; W178-V240 HydrophobicContact CZ2-CG2 4.09Å; W178-V240 HydrophobicContact CZ3-CB 4.19Å; W178-V240 HydrophobicContact CZ3-CG1 3.95Å; W178-V240 PolarHBondContact N-O 2.99Å; W178-V240 VanDerWaalsContact N-O 3.17Å; W178-V240 PolarHBondContact O-N 3.01Å; L183-V240 HydrophobicContact CD1-CG2 3.61Å; L232-V240 HydrophobicContact CD1-CG1 3.6Å; L232-V240 HydrophobicContact CG-CG1 4.34Å; R233-V240 CarbonylContact O-C 3.57Å; R233-V240 WeakPolarHBondContact O-CA 3.44Å; V234-V240 HydrophobicContact CG1-CG2 4.45Å; V234-V240 HydrophobicContact CG2-CG1 4.48Å; V234-V240 HydrophobicContact CG2-CG2 4.38Å
241	L	96.4	Very high	95.3	Very high	39 Å²	39	31.2 Å²	31.2	20%	0.204	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.7	168.9	169.7	66.1	0	0	0	108.3	R175 V177 L232 R233	R175-L241 HydrophobicContact CB-CD1 4.5Å; V177-L241 HydrophobicContact CG2-CD1 3.63Å; L232-L241 CarbonylContact C-O 3.53Å; L232-L241 WeakPolarHBondContact CA-O 3.04Å; R233-L241 HydrophobicContact CB-CB 4.35Å; R233-L241 PolarHBondContact N-O 3.01Å; R233-L241 PolarHBondContact O-N 3.08Å
242	Y	96.1	Very high	95.5	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.035	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.5	171.6	-176.4	-126.7	0	0	0	109.8	R175 Q176 K204 Y230 L231 L232 Q244	R175-Y242 CarbonylContact C-O 3.49Å; R175-Y242 WeakPolarHBondContact CA-O 3.22Å; Q176-Y242 PolarHBondContact N-O 3.18Å; Q176-Y242 PolarHBondContact O-N 3.29Å; K204-Y242 HydrophobicContact CD-CE2 4.24Å; K204-Y242 VanDerWaalsContact CE-OH 3.3Å; K204-Y242 WeakPolarHBondContact CE-OH 3.46Å; K204-Y242 HydrophobicContact CG-CE2 4.49Å; K204-Y242 PolarHBondContact NZ-OH 2.92Å; Y230-Y242 HydrophobicContact CD2-CE2 4.26Å; Y230-Y242 HydrophobicContact CG-CE2 4.22Å; L231-Y242 WeakPolarHBondContact O-CA 3.41Å; L232-Y242 HydrophobicContact CB-CD2 4.43Å; L232-Y242 HydrophobicContact CD1-CD2 3.68Å; L232-Y242 HydrophobicContact CD1-CG 4.15Å; Y242-Q244 HydrophobicContact CE1-CG 4.28Å; Y242-Q244 VanDerWaalsContact CE1-OE1 3.29Å; Y242-Q244 VanDerWaalsContact CZ-OE1 3.26Å; Y242-Q244 PolarHBondContact OH-OE1 3.2Å
243	S	95.6	Very high	95.6	Very high	18 Å²	18	35.2 Å²	35.2	13%	0.126	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	179.2	179	0	0	0	0	109.3	L174 Y230 L231	L174-S243 CarbonylContact O-C 3.5Å; L174-S243 VanDerWaalsContact O-CA 3.3Å; L174-S243 WeakPolarHBondContact O-CA 3.1Å; Y230-S243 CarbonylContact C-O 3.55Å; Y230-S243 WeakPolarHBondContact CA-O 3.36Å; L231-S243 PolarHBondContact N-O 3.2Å; L231-S243 PolarHBondContact O-N 2.87Å
244	Q	94.7	Very high	95.5	Very high	31 Å²	31	30.5 Å²	30.5	15%	0.145	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.5	178.5	59.4	-178.7	14	0	0	111.7	L173 L174 L222 N229 Y242 I246	L173-Q244 CarbonylContact C-O 3.59Å; L173-Q244 WeakPolarHBondContact CA-O 3.43Å; L174-Q244 HydrophobicContact CB-CG 4.18Å; L174-Q244 PolarHBondContact N-O 2.82Å; L174-Q244 PolarHBondContact O-N 3.06Å; L222-Q244 HydrophobicContact CD1-CB 4.1Å; N229-Q244 WeakPolarHBondContact O-CA 3.07Å; Y242-Q244 HydrophobicContact CE1-CG 4.28Å; Y242-Q244 VanDerWaalsContact CE1-OE1 3.29Å; Y242-Q244 VanDerWaalsContact CZ-OE1 3.26Å; Y242-Q244 PolarHBondContact OH-OE1 3.2Å; Q244-I246 HydrophobicContact CG-CD1 3.83Å; Q244-I246 HydrophobicContact CG-CG1 3.87Å
245	K	95.6	Very high	95.4	Very high	56 Å²	56	36.3 Å²	36.3	24%	0.243	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.6	171.1	-167.3	-170.4	173.1	-167.6	0	109.8	L156 D171 L172 L173 L222 H223 N229	L156-K245 HydrophobicContact CD1-CD 4.23Å; L156-K245 HydrophobicContact CD1-CG 4.22Å; D171-K245 IonicContact OD2-NZ 2.86Å; L172-K245 WeakPolarHBondContact O-CA 3.49Å; L173-K245 HydrophobicContact CD2-CB 3.62Å; L173-K245 HydrophobicContact CD2-CG 3.83Å; L222-K245 WeakPolarHBondContact CD1-O 3.31Å; H223-K245 VanDerWaalsContact CD2-CD 3.45Å; H223-K245 WeakPolarHBondContact CD2-CD 3.19Å; H223-K245 VanDerWaalsContact CD2-CG 3.46Å; H223-K245 WeakPolarHBondContact CD2-CG 3.38Å; H223-K245 PolarHBondContact CD2-O 3.04Å; H223-K245 WeakPolarHBondContact NE2-CE 3.39Å; N229-K245 HydrophobicContact CB-CB 4.07Å; N229-K245 PolarHBondContact O-N 2.94Å
246	I	95.6	Very high	95.3	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.9	-177.2	-46.1	172.4	0	0	0	109.1	L172 L174 F214 L222 Q244 M248	L172-I246 HydrophobicContact CD1-CB 4.36Å; L172-I246 HydrophobicContact CD1-CD1 4.4Å; L172-I246 PolarHBondContact N-O 2.92Å; L172-I246 PolarHBondContact O-N 2.85Å; L174-I246 HydrophobicContact CB-CD1 4.07Å; L174-I246 HydrophobicContact CD2-CD1 4.05Å; F214-I246 HydrophobicContact CE2-CD1 3.94Å; F214-I246 HydrophobicContact CZ-CD1 4.32Å; L222-I246 HydrophobicContact CD1-CG1 4.49Å; Q244-I246 HydrophobicContact CG-CD1 3.83Å; Q244-I246 HydrophobicContact CG-CG1 3.87Å; I246-M248 HydrophobicContact CG2-CB 4.34Å; I246-M248 HydrophobicContact CG2-CE 3.54Å
247	T	96.8	Very high	95.3	Very high	18 Å²	18	37 Å²	37	11%	0.11	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.8	159.2	-59.2	0	0	0	0	107.8	F159 Y169 I170 D171 G220 Y221 H223	F159-T247 HydrophobicContact CZ-CG2 3.86Å; Y169-T247 HydrophobicContact CD1-CG2 4.17Å; I170-T247 CarbonylContact O-C 3.54Å; I170-T247 WeakPolarHBondContact O-CA 3.24Å; D171-T247 VanDerWaalsContact OD1-CB 3.25Å; D171-T247 WeakPolarHBondContact OD1-CB 3.5Å; D171-T247 VanDerWaalsContact OD1-CG2 3.22Å; D171-T247 WeakPolarHBondContact OD1-CG2 3.29Å; D171-T247 PolarHBondContact OD1-OG1 2.9Å; G220-T247 CarbonylContact C-O 3.5Å; G220-T247 WeakPolarHBondContact CA-O 3.33Å; Y221-T247 PolarHBondContact N-O 2.85Å; Y221-T247 PolarHBondContact O-N 3.37Å; Y221-T247 VanDerWaalsContact O-N 3.08Å; H223-T247 PolarHBondContact CE1-OG1 2.91Å; H223-T247 PolarHBondContact NE2-OG1 2.89Å
248	M	96.7	Very high	95.3	Very high	24 Å²	24	35.2 Å²	35.2	12%	0.118	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.3	-176.2	-169.8	63.8	52.2	0	0	110.4	Y169 I170 F214 D219 I246 F250	Y169-M248 WeakPolarHBondContact CA-O 3.48Å; I170-M248 PolarHBondContact N-O 3.16Å; I170-M248 PolarHBondContact O-N 3.45Å; F214-M248 HydrophobicContact CD2-CE 3.83Å; F214-M248 HydrophobicContact CD2-CG 4.23Å; F214-M248 HydrophobicContact CD2-SD 4.31Å; F214-M248 HydrophobicContact CE2-CE 4.1Å; F214-M248 HydrophobicContact CG-CG 4.45Å; D219-M248 VanDerWaalsContact C-SD 3.53Å; I246-M248 HydrophobicContact CG2-CB 4.34Å; I246-M248 HydrophobicContact CG2-CE 3.54Å; M248-F250 HydrophobicContact CB-CD2 4.22Å; M248-F250 HydrophobicContact CB-CE2 3.56Å; M248-F250 HydrophobicContact CB-CZ 3.77Å; M248-F250 HydrophobicContact CG-CD1 4.31Å; M248-F250 HydrophobicContact CG-CD2 4.16Å; M248-F250 HydrophobicContact CG-CE1 3.82Å; M248-F250 HydrophobicContact CG-CE2 3.66Å; M248-F250 HydrophobicContact CG-CG 4.47Å; M248-F250 HydrophobicContact CG-CZ 3.47Å; M248-F250 VanDerWaalsContact CG-CZ 3.47Å
249	R	98	Very high	95.3	Very high	58 Å²	58	35.3 Å²	35.3	22%	0.219	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.9	168.9	-172	177.5	58.9	138.9	-10.9	109.5	D167 Y168 Y169 G217 K218 D219	D167-R249 HydrophobicContact CB-CG 3.92Å; D167-R249 WeakPolarHBondContact OD2-CD 3.42Å; D167-R249 IonicContact OD2-CZ 2.91Å; D167-R249 IonicContact OD2-NE 3.57Å; D167-R249 IonicContact OD2-NH1 2.77Å; D167-R249 PolarHBondContact OD2-NH1 2.05Å; Y168-R249 CarbonylContact O-C 3.51Å; Y168-R249 WeakPolarHBondContact O-CA 3.44Å; Y169-R249 HydrophobicContact CD1-CB 3.96Å; Y169-R249 HydrophobicContact CD1-CG 4.49Å; Y169-R249 HydrophobicContact CD2-CB 4.5Å; Y169-R249 HydrophobicContact CD2-CG 4.16Å; Y169-R249 HydrophobicContact CE1-CB 3.67Å; Y169-R249 HydrophobicContact CE1-CG 4.18Å; Y169-R249 HydrophobicContact CE2-CB 4.25Å; Y169-R249 HydrophobicContact CE2-CG 3.82Å; Y169-R249 HydrophobicContact CG-CB 4.38Å; Y169-R249 HydrophobicContact CG-CG 4.5Å; Y169-R249 WeakPolarHBondContact OH-CD 3.48Å; G217-R249 CarbonylContact C-O 3.32Å; G217-R249 WeakPolarHBondContact CA-O 3.43Å; K218-R249 VanDerWaalsContact CD-NH1 3.34Å; K218-R249 PolarHBondContact N-O 2.76Å; D219-R249 PolarHBondContact O-N 2.7Å; D219-R249 WeakPolarHBondContact OD1-CB 3.31Å; D219-R249 IonicContact OD1-CZ 3.7Å; D219-R249 IonicContact OD1-NE 3.21Å; D219-R249 PolarHBondContact OD1-NE 3.27Å; D219-R249 IonicContact OD1-NH2 3.48Å; D219-R249 PolarHBondContact OD1-NH2 3.22Å
250	F	98.2	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.4	-179.4	-68.6	-79	0	0	0	111.1	D167 Y168 I170 F214 N216 M248 I268	D167-F250 WeakPolarHBondContact CA-O 3.47Å; D167-F250 WeakPolarHBondContact CB-O 3.42Å; Y168-F250 HydrophobicContact CD1-CB 4.12Å; Y168-F250 HydrophobicContact CD2-CB 4.3Å; Y168-F250 HydrophobicContact CD2-CD2 4.4Å; Y168-F250 HydrophobicContact CE1-CB 3.49Å; Y168-F250 VanDerWaalsContact CE1-CB 3.49Å; Y168-F250 HydrophobicContact CE2-CB 3.68Å; Y168-F250 AromaticContact CE2-CD2 3.61Å; Y168-F250 HydrophobicContact CE2-CD2 3.61Å; Y168-F250 AromaticContact CE2-CG 3.98Å; Y168-F250 HydrophobicContact CE2-CG 3.98Å; Y168-F250 AromaticContact CZ-CD2 3.94Å; Y168-F250 AromaticContact CZ-CG 3.83Å; Y168-F250 PolarHBondContact N-O 2.81Å; Y168-F250 PolarHBondContact O-N 2.79Å; Y168-F250 WeakPolarHBondContact OH-CB 3.39Å; I170-F250 HydrophobicContact CB-CD2 4.36Å; I170-F250 HydrophobicContact CB-CE2 4.11Å; F214-F250 HydrophobicContact CB-CE1 3.8Å; F214-F250 AromaticContact CD1-CE1 3.51Å; F214-F250 HydrophobicContact CD1-CE1 3.51Å; F214-F250 AromaticContact CD1-CZ 3.64Å; F214-F250 HydrophobicContact CD1-CZ 3.64Å; F214-F250 HydrophobicContact CE1-CE1 4.23Å; F214-F250 AromaticContact CE1-CZ 3.9Å; F214-F250 HydrophobicContact CE1-CZ 3.9Å; F214-F250 AromaticContact CG-CE1 3.75Å; F214-F250 HydrophobicContact CG-CE1 3.75Å; F214-F250 HydrophobicContact CG-CZ 4.02Å; N216-F250 WeakPolarHBondContact O-CA 3.39Å; M248-F250 HydrophobicContact CB-CD2 4.22Å; M248-F250 HydrophobicContact CB-CE2 3.56Å; M248-F250 HydrophobicContact CB-CZ 3.77Å; M248-F250 HydrophobicContact CG-CD1 4.31Å; M248-F250 HydrophobicContact CG-CD2 4.16Å; M248-F250 HydrophobicContact CG-CE1 3.82Å; M248-F250 HydrophobicContact CG-CE2 3.66Å; M248-F250 HydrophobicContact CG-CG 4.47Å; M248-F250 HydrophobicContact CG-CZ 3.47Å; M248-F250 VanDerWaalsContact CG-CZ 3.47Å; F250-I268 HydrophobicContact CE1-CB 4.41Å; F250-I268 HydrophobicContact CE1-CG1 4.35Å; F250-I268 HydrophobicContact CE1-CG2 3.76Å; F250-I268 HydrophobicContact CE2-CD1 4.45Å; F250-I268 HydrophobicContact CE2-CG1 4.23Å; F250-I268 HydrophobicContact CZ-CB 4.5Å; F250-I268 HydrophobicContact CZ-CD1 4.5Å; F250-I268 HydrophobicContact CZ-CG1 4.14Å; F250-I268 HydrophobicContact CZ-CG2 3.79Å
251	S	97.4	Very high	95	Very high	34 Å²	34	33.2 Å²	33.2	24%	0.238	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.3	169.8	63.6	0	0	0	0	111.2	N216	N216-S251 PolarHBondContact ND2-O 2.81Å; N216-S251 PolarHBondContact O-N 2.99Å; N216-S251 PolarHBondContact O-OG 3.04Å
252	C	96.7	Very high	94.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	15%	0.152	C	C	.	.			trans	-138.4	118.6	172.4	-177.2	0	0	0	0	109.8	M166 Y168 M254 C266	M166-C252 CarbonylContact C-O 3.46Å; M166-C252 WeakPolarHBondContact CA-O 3.39Å; M166-C252 WeakPolarHBondContact CB-O 3.19Å; M166-C252 PolarHBondContact O-N 2.91Å; M166-C252 VanDerWaalsContact O-O 3.14Å; Y168-C252 HydrophobicContact CD1-CB 3.63Å; Y168-C252 HydrophobicContact CE1-CB 3.71Å; C252-M254 HydrophobicContact CB-CE 4.2Å; C252-M254 PolarHBondContact O-N 2.76Å; C252-M254 VanDerWaalsContact O-N 3.16Å; C252-C266 HydrophobicContact CB-CB 3.9Å; C252-C266 WeakPolarHBondContact CB-SG 3.4Å; C252-C266 WeakPolarHBondContact SG-CA 3.49Å; C252-C266 WeakPolarHBondContact SG-CB 3.26Å; C252-C266 CovalentContact SG-SG 2.05Å; C252-C266 PolarHBondContact SG-SG 3.45Å
253	Q	94.5	Very high	94.6	Very high	140 Å²	140	33.4 Å²	33.4	65%	0.654	16%	0.164	S	C	*	.			trans	-80.5	95.2	178.3	-64.7	-66.9	-11.1	0	0	109.5	H255	Q253-H255 PolarHBondContact O-ND1 3.08Å
254	M	93.9	Very high	94.5	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.03	16%	0.158	C	C	.	.			trans	-83.1	141.6	-177.1	-61.6	175.2	-162.5	0	0	111.5	I161 V163 M166 C252 L256 Q264	I161-M254 HydrophobicContact CG2-CE 3.55Å; I161-M254 HydrophobicContact CG2-SD 4.41Å; V163-M254 HydrophobicContact CB-SD 4.26Å; V163-M254 HydrophobicContact CG1-SD 4.39Å; V163-M254 HydrophobicContact CG2-SD 3.83Å; M166-M254 HydrophobicContact SD-CB 3.88Å; M166-M254 HydrophobicContact SD-CG 4.42Å; C252-M254 HydrophobicContact CB-CE 4.2Å; C252-M254 PolarHBondContact O-N 2.76Å; C252-M254 VanDerWaalsContact O-N 3.16Å; M254-L256 HydrophobicContact CB-CD2 4.43Å; M254-Q264 HydrophobicContact CB-CG 4.25Å; M254-Q264 VanDerWaalsContact CB-OE1 3.29Å; M254-Q264 HydrophobicContact CG-CB 4.34Å; M254-Q264 HydrophobicContact CG-CG 4.13Å; M254-Q264 HydrophobicContact SD-CG 4.47Å
255	H	92.8	Very high	94.5	Very high	125 Å²	125	36.8 Å²	36.8	58%	0.579	18%	0.177	S	C	*	.			trans	-109.7	111.5	-179.3	-66.5	79.6	0	0	0	109.9	Q253 Q264	Q253-H255 PolarHBondContact O-ND1 3.08Å; H255-Q264 PolarHBondContact O-NE2 3.31Å
256	L	92.8	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.			trans	-102.5	16.7	-167.5	-54.6	172.7	0	0	0	114	V163 M254 T258 F259 P391 V393 Y395 K397	V163-L256 HydrophobicContact CG1-CD1 3.31Å; V163-L256 HydrophobicContact CG1-CD2 3.46Å; V163-L256 VanDerWaalsContact CG1-CD2 3.46Å; V163-L256 HydrophobicContact CG1-CG 3.91Å; M254-L256 HydrophobicContact CB-CD2 4.43Å; L256-T258 VanDerWaalsContact C-N 3.27Å; L256-T258 PolarHBondContact O-N 3.26Å; L256-F259 HydrophobicContact CB-CB 4.15Å; L256-F259 HydrophobicContact CD2-CD2 4.4Å; L256-F259 VanDerWaalsContact O-CB 3.27Å; L256-F259 WeakPolarHBondContact O-CB 3.41Å; L256-F259 PolarHBondContact O-N 2.82Å; L256-F259 VanDerWaalsContact O-N 3.14Å; L256-P391 HydrophobicContact CD1-CG 3.66Å; L256-V393 HydrophobicContact CD1-CG1 4.24Å; L256-Y395 HydrophobicContact CB-CE2 4.22Å; L256-Y395 PolarHBondContact N-OH 3.49Å; L256-K397 HydrophobicContact CB-CD 4.23Å; L256-K397 HydrophobicContact CB-CG 4.48Å; L256-K397 WeakPolarHBondContact O-CG 3.48Å
257	Q	92.2	Very high	94.6	Very high	97 Å²	97	36.5 Å²	36.5	45%	0.453	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-40.2	-176	-69.7	178.5	0.3	0	0	111.7	Y395 K397 A398	Q257-Y395 HydrophobicContact CG-CD2 3.69Å; Q257-Y395 HydrophobicContact CG-CE2 3.72Å; Q257-Y395 HydrophobicContact CG-CG 4.37Å; Q257-K397 CarbonylContact O-C 3.56Å; Q257-K397 WeakPolarHBondContact O-CA 3.49Å; Q257-A398 PolarHBondContact O-N 3Å
258	T	92.6	Very high	94.7	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.135	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.6	178.7	49.6	0	0	0	0	114.1	L256 M261 D262 F547 V551	L256-T258 VanDerWaalsContact C-N 3.27Å; L256-T258 PolarHBondContact O-N 3.26Å; T258-M261 CarbonylContact O-C 3.57Å; T258-M261 WeakPolarHBondContact O-CA 3.49Å; T258-M261 PolarHBondContact O-N 2.78Å; T258-D262 WeakPolarHBondContact OG1-CA 3.22Å; T258-D262 WeakPolarHBondContact OG1-CB 3.25Å; T258-F547 HydrophobicContact CG2-CD1 4.4Å; T258-V551 HydrophobicContact CG2-CB 3.93Å; T258-V551 HydrophobicContact CG2-CG1 3.23Å
259	F	93.7	Very high	94.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.2	-176.7	176.2	-85.2	0	0	0	112	L256 Y339 L390 I399	L256-F259 HydrophobicContact CB-CB 4.15Å; L256-F259 HydrophobicContact CD2-CD2 4.4Å; L256-F259 VanDerWaalsContact O-CB 3.27Å; L256-F259 WeakPolarHBondContact O-CB 3.41Å; L256-F259 PolarHBondContact O-N 2.82Å; L256-F259 VanDerWaalsContact O-N 3.14Å; F259-Y339 HydrophobicContact CE1-CE1 4.18Å; F259-Y339 HydrophobicContact CE2-CE1 4.26Å; F259-Y339 HydrophobicContact CZ-CD1 4.2Å; F259-Y339 AromaticContact CZ-CE1 3.45Å; F259-Y339 HydrophobicContact CZ-CE1 3.45Å; F259-Y339 VanDerWaalsContact CZ-CE1 3.45Å; F259-Y339 AromaticContact CZ-CZ 3.68Å; F259-L390 HydrophobicContact CD1-CD1 3.7Å; F259-L390 HydrophobicContact CD1-CD2 4.28Å; F259-L390 HydrophobicContact CD2-CD2 4.07Å; F259-L390 HydrophobicContact CE1-CD1 3.55Å; F259-L390 HydrophobicContact CE1-CD2 3.97Å; F259-L390 HydrophobicContact CE1-CG 4.24Å; F259-L390 HydrophobicContact CE2-CD2 3.71Å; F259-L390 HydrophobicContact CG-CD1 4.39Å; F259-L390 HydrophobicContact CG-CD2 4.33Å; F259-L390 HydrophobicContact CZ-CD1 4.1Å; F259-L390 HydrophobicContact CZ-CD2 3.65Å; F259-L390 HydrophobicContact CZ-CG 4.31Å; F259-I399 HydrophobicContact CD1-CB 4.16Å; F259-I399 HydrophobicContact CD1-CG2 3.74Å; F259-I399 HydrophobicContact CE1-CG2 4.24Å; F259-I399 PolarHBondContact O-N 3.04Å; F259-I399 VanDerWaalsContact O-N 3.14Å
260	P	92.7	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.5	7.9	5.8	36.7	-36.6	0	0	0	115.7	D262 R334 L336 Y339 Y344	P260-D262 WeakPolarHBondContact CA-OD1 3.44Å; P260-D262 PolarHBondContact O-N 3.28Å; P260-R334 WeakPolarHBondContact O-CB 3.25Å; P260-R334 WeakPolarHBondContact O-CD 3.32Å; P260-L336 HydrophobicContact CB-CD2 4.1Å; P260-L336 HydrophobicContact CG-CD2 3.89Å; P260-L336 VanDerWaalsContact O-CD2 3.22Å; P260-L336 WeakPolarHBondContact O-CD2 3.32Å; P260-Y339 HydrophobicContact CB-CD1 4.19Å; P260-Y339 HydrophobicContact CB-CD2 3.66Å; P260-Y339 HydrophobicContact CB-CE1 4.44Å; P260-Y339 HydrophobicContact CB-CE2 3.92Å; P260-Y339 HydrophobicContact CB-CG 3.78Å; P260-Y339 HydrophobicContact CG-CD1 4.45Å; P260-Y339 HydrophobicContact CG-CD2 4.2Å; P260-Y339 HydrophobicContact CG-CG 3.94Å; P260-Y344 WeakPolarHBondContact CD-OH 3.48Å; P260-Y344 HydrophobicContact CG-CE2 4.04Å
261	M	92.5	Very high	94.5	Very high	6 Å²	6	33 Å²	33	3%	0.03	16%	0.162	C	C	.	.	S	Bend	trans	-83	30.7	175.6	-52.4	80.4	178.6	0	0	112.1	T258 L336 Y344 Y543 W544 F547 L548 N552	T258-M261 CarbonylContact O-C 3.57Å; T258-M261 WeakPolarHBondContact O-CA 3.49Å; T258-M261 PolarHBondContact O-N 2.78Å; M261-L336 HydrophobicContact CB-CD2 4.38Å; M261-L336 HydrophobicContact CG-CD1 4.09Å; M261-L336 HydrophobicContact CG-CD2 3.83Å; M261-L336 HydrophobicContact SD-CD2 4.48Å; M261-Y344 HydrophobicContact CE-CE2 4.39Å; M261-Y344 WeakPolarHBondContact CE-OH 3.18Å; M261-Y543 HydrophobicContact CE-CE1 3.9Å; M261-W544 HydrophobicContact CE-CE3 3.79Å; M261-W544 HydrophobicContact CE-CH2 3.58Å; M261-W544 HydrophobicContact CE-CZ3 3.11Å; M261-F547 HydrophobicContact SD-CB 4.25Å; M261-L548 HydrophobicContact CB-CD2 4.29Å; M261-L548 HydrophobicContact CG-CD2 3.69Å; M261-N552 PolarHBondContact O-OD1 3.46Å
262	D	91.8	Very high	94.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.151	C	C	.	.			trans	-93	145.6	-172.4	57.9	-52.5	0	0	0	113	T258 P260 Q264 R334	T258-D262 WeakPolarHBondContact OG1-CA 3.22Å; T258-D262 WeakPolarHBondContact OG1-CB 3.25Å; P260-D262 WeakPolarHBondContact CA-OD1 3.44Å; P260-D262 PolarHBondContact O-N 3.28Å; D262-Q264 PolarHBondContact OD2-NE2 2.94Å; D262-R334 PolarHBondContact O-N 3Å; D262-R334 WeakPolarHBondContact OD1-CD 3.48Å; D262-R334 IonicContact OD1-CZ 3.61Å; D262-R334 IonicContact OD1-NE 3.76Å; D262-R334 PolarHBondContact OD1-NE 3.5Å; D262-R334 IonicContact OD1-NH2 3.65Å; D262-R334 IonicContact OD2-CZ 3.71Å; D262-R334 IonicContact OD2-NE 2.75Å; D262-R334 PolarHBondContact OD2-NE 3.37Å; D262-R334 IonicContact OD2-NH2 3.75Å; D262-R334 PolarHBondContact OD2-NH2 2.61Å
263	N	92.3	Very high	94.2	Very high	52 Å²	52	39.9 Å²	39.9	28%	0.278	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.6	166.9	-66.5	-2.6	0	0	0	108.9	E331 L332	N263-E331 HydrophobicContact CB-CG 4.33Å; N263-E331 WeakPolarHBondContact CB-OE1 3.42Å; N263-E331 PolarHBondContact ND2-OE1 3.02Å; N263-L332 WeakPolarHBondContact CA-O 3.21Å
264	Q	93.6	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.4	-178.6	-56.8	-56.8	-27	0	0	111.2	M254 H255 D262 E331 L332	M254-Q264 HydrophobicContact CB-CG 4.25Å; M254-Q264 VanDerWaalsContact CB-OE1 3.29Å; M254-Q264 HydrophobicContact CG-CB 4.34Å; M254-Q264 HydrophobicContact CG-CG 4.13Å; M254-Q264 HydrophobicContact SD-CG 4.47Å; H255-Q264 PolarHBondContact O-NE2 3.31Å; D262-Q264 PolarHBondContact OD2-NE2 2.94Å; Q264-E331 WeakPolarHBondContact O-CA 3.4Å; Q264-L332 HydrophobicContact CB-CB 4.17Å; Q264-L332 PolarHBondContact N-O 3.4Å; Q264-L332 PolarHBondContact O-N 3.43Å
265	H	94.9	Very high	94	Very high	119 Å²	119	37.8 Å²	37.8	55%	0.551	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.7	178.7	-65.4	82.1	0	0	0	109.4
266	C	96.7	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	155.5	178.5	-64.8	0	0	0	0	110.7	Y168 C252 T329 F330	Y168-C266 HydrophobicContact CD1-CB 4.15Å; Y168-C266 HydrophobicContact CE1-CB 3.67Å; C252-C266 HydrophobicContact CB-CB 3.9Å; C252-C266 WeakPolarHBondContact CB-SG 3.4Å; C252-C266 WeakPolarHBondContact SG-CA 3.49Å; C252-C266 WeakPolarHBondContact SG-CB 3.26Å; C252-C266 CovalentContact SG-SG 2.05Å; C252-C266 PolarHBondContact SG-SG 3.45Å; C266-T329 CarbonylContact O-C 3.48Å; C266-T329 WeakPolarHBondContact O-CA 3.43Å; C266-T329 WeakPolarHBondContact O-CG2 3.34Å; C266-F330 HydrophobicContact CB-CD1 4.37Å; C266-F330 HydrophobicContact CB-CE1 3.71Å; C266-F330 HydrophobicContact CB-CE2 4.01Å; C266-F330 HydrophobicContact CB-CZ 3.5Å; C266-F330 PolarHBondContact N-O 3.2Å; C266-F330 WeakPolarHBondContact O-CD1 3.38Å; C266-F330 PolarHBondContact O-N 2.96Å
267	H	96.9	Very high	94	Very high	60 Å²	60	34.7 Å²	34.7	28%	0.278	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.1	-172.5	63.6	-87.4	0	0	0	112.5	Y168 N216 N327 A328 T329	Y168-H267 PolarHBondContact OH-O 2.56Å; N216-H267 PolarHBondContact ND2-O 3.03Å; H267-N327 WeakPolarHBondContact CB-OD1 3.34Å; H267-N327 PolarHBondContact CD2-OD1 3.04Å; H267-A328 CarbonylContact C-O 3.59Å; H267-A328 VanDerWaalsContact CA-O 3.25Å; H267-A328 WeakPolarHBondContact CA-O 3.44Å; H267-T329 HydrophobicContact CB-CG2 4.35Å
268	I	97.7	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.3	171	-59	171.8	0	0	0	107	M153 I170 L172 F214 F250 I270 F307 N327 A328	M153-I268 HydrophobicContact CE-CD1 4.13Å; M153-I268 HydrophobicContact CE-CG2 4.35Å; M153-I268 HydrophobicContact SD-CG2 4.38Å; I170-I268 HydrophobicContact CD1-CD1 3.92Å; I170-I268 HydrophobicContact CD1-CG1 4.45Å; L172-I268 HydrophobicContact CD2-CD1 4.39Å; F214-I268 HydrophobicContact CD1-CG2 3.77Å; F214-I268 HydrophobicContact CE1-CG2 3.82Å; F250-I268 HydrophobicContact CE1-CB 4.41Å; F250-I268 HydrophobicContact CE1-CG1 4.35Å; F250-I268 HydrophobicContact CE1-CG2 3.76Å; F250-I268 HydrophobicContact CE2-CD1 4.45Å; F250-I268 HydrophobicContact CE2-CG1 4.23Å; F250-I268 HydrophobicContact CZ-CB 4.5Å; F250-I268 HydrophobicContact CZ-CD1 4.5Å; F250-I268 HydrophobicContact CZ-CG1 4.14Å; F250-I268 HydrophobicContact CZ-CG2 3.79Å; I268-I270 HydrophobicContact CG2-CD1 4.49Å; I268-I270 HydrophobicContact CG2-CG1 4.24Å; I268-F307 HydrophobicContact CD1-CE1 4.27Å; I268-N327 WeakPolarHBondContact O-CA 3.41Å; I268-N327 PolarHBondContact O-OD1 2.96Å; I268-A328 HydrophobicContact CB-CB 4.43Å; I268-A328 PolarHBondContact N-O 3Å; I268-A328 PolarHBondContact O-N 3.23Å
269	N	96.3	Very high	94	Very high	28 Å²	28	38.6 Å²	38.6	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.8	179.3	-169.7	-37	0	0	0	110.4	F214 R215 N216	F214-N269 CarbonylContact C-O 3.59Å; F214-N269 WeakPolarHBondContact CA-O 3.25Å; R215-N269 HydrophobicContact CB-CB 4.22Å; R215-N269 WeakPolarHBondContact CD-OD1 3.35Å; R215-N269 PolarHBondContact N-O 2.81Å; N216-N269 WeakPolarHBondContact OD1-CB 3.2Å; N216-N269 PolarHBondContact OD1-N 2.93Å
270	I	96.9	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137	179.9	-68	171.3	0	0	0	109.2	V151 M153 L212 F213 F214 I268 F282 W284 C325 L326	V151-I270 HydrophobicContact CG1-CD1 4.26Å; M153-I270 HydrophobicContact CE-CD1 4.35Å; M153-I270 HydrophobicContact SD-CD1 3.79Å; L212-I270 HydrophobicContact CD1-CG2 3.79Å; L212-I270 HydrophobicContact CD2-CG1 4.38Å; L212-I270 HydrophobicContact CD2-CG2 3.69Å; L212-I270 HydrophobicContact CG-CG2 3.5Å; L212-I270 VanDerWaalsContact CG-CG2 3.5Å; F213-I270 WeakPolarHBondContact O-CA 3.34Å; F214-I270 HydrophobicContact CD1-CG1 3.81Å; F214-I270 HydrophobicContact CE1-CD1 4.04Å; F214-I270 HydrophobicContact CE1-CG1 3.79Å; I268-I270 HydrophobicContact CG2-CD1 4.49Å; I268-I270 HydrophobicContact CG2-CG1 4.24Å; I270-F282 HydrophobicContact CG2-CD2 4.31Å; I270-W284 HydrophobicContact CD1-CH2 3.95Å; I270-C325 WeakPolarHBondContact O-CA 3.46Å; I270-L326 HydrophobicContact CB-CB 4.22Å; I270-L326 PolarHBondContact N-O 3.42Å; I270-L326 PolarHBondContact O-N 2.99Å
271	G	95.4	Very high	94.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	178.3	171.7	0	0	0	0	0	112.8	F213 F282 T324	F213-G271 WeakPolarHBondContact CD1-O 3.36Å; F213-G271 PolarHBondContact N-O 2.8Å; F213-G271 PolarHBondContact O-N 3.33Å; G271-F282 VanDerWaalsContact C-CE2 3.49Å; G271-F282 WeakPolarHBondContact O-CE2 3.15Å; G271-T324 WeakPolarHBondContact CA-O 3.5Å
272	S	94.8	Very high	94.4	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.4	169.1	173.5	0	0	0	0	109.4	D211 F213 Y275	D211-S272 WeakPolarHBondContact OD1-CB 3.44Å; D211-S272 PolarHBondContact OD1-OG 2.7Å; D211-S272 PolarHBondContact OD2-OG 3.43Å; F213-S272 VanDerWaalsContact CE1-O 3.31Å; F213-S272 WeakPolarHBondContact CE1-O 3.43Å; S272-Y275 WeakPolarHBondContact OG-CB 3.35Å; S272-Y275 PolarHBondContact OG-N 2.96Å; S272-Y275 VanDerWaalsContact OG-N 3.16Å; S272-Y275 PolarHBondContact OG-O 2.85Å
273	Y	92.4	Very high	94.6	Very high	178 Å²	178	43.8 Å²	43.8	70%	0.698	22%	0.219	S	C	*	.	S	Bend	trans	-78.1	-44.5	-173.6	-169.3	-93.8	0	0	0	112.3	D211 F213	D211-Y273 PolarHBondContact O-N 3.3Å; D211-Y273 PolarHBondContact OD2-N 3.41Å; F213-Y273 HydrophobicContact CD1-CD2 4.15Å; F213-Y273 HydrophobicContact CD1-CG 4.48Å; F213-Y273 HydrophobicContact CD2-CD2 4.07Å; F213-Y273 HydrophobicContact CE1-CD2 4.25Å; F213-Y273 HydrophobicContact CE2-CD2 4.11Å; F213-Y273 HydrophobicContact CG-CD2 4.07Å; F213-Y273 HydrophobicContact CZ-CD2 4.19Å
274	G	91.2	Very high	94.9	Very high	44 Å²	44	42.5 Å²	42.5	45%	0.454	21%	0.21	S	C	.	.	S	Bend	trans	-116.7	-24.3	-172.5	0	0	0	0	0	114.7	D211	D211-G274 PolarHBondContact OD2-N 2.96Å
275	Y	93	Very high	95	Very high	57 Å²	57	45.1 Å²	45.1	22%	0.224	22%	0.224	C	C	.	.			trans	-96.2	133.4	-175	-60.1	-70.6	0	0	0	113	W208 D211 S272 E279 L280 Y323	W208-Y275 AromaticContact CZ2-CE2 3.98Å; W208-Y275 HydrophobicContact CZ2-CE2 3.98Å; W208-Y275 PolarHBondContact NE1-OH 3.37Å; D211-Y275 HydrophobicContact CB-CD2 4.45Å; D211-Y275 HydrophobicContact CB-CE2 4.41Å; D211-Y275 VanDerWaalsContact CG-CD2 3.5Å; D211-Y275 WeakPolarHBondContact OD1-CD2 3.41Å; D211-Y275 WeakPolarHBondContact OD2-CD2 3.34Å; S272-Y275 WeakPolarHBondContact OG-CB 3.35Å; S272-Y275 PolarHBondContact OG-N 2.96Å; S272-Y275 VanDerWaalsContact OG-N 3.16Å; S272-Y275 PolarHBondContact OG-O 2.85Å; Y275-E279 HydrophobicContact CD1-CB 4.22Å; Y275-L280 HydrophobicContact CD2-CB 4.43Å; Y275-L280 HydrophobicContact CD2-CD2 3.86Å; Y275-L280 HydrophobicContact CG-CB 4.19Å; Y275-L280 HydrophobicContact CG-CD2 4.42Å; Y275-Y323 WeakPolarHBondContact O-CD1 3.25Å; Y275-Y323 WeakPolarHBondContact O-CE1 3.44Å
276	T	93.5	Very high	95	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.19	23%	0.234	C	C	.	.			trans	-72.1	164.4	173.6	63.2	0	0	0	0	111.4	N278 E279 L280 Q322	T276-N278 PolarHBondContact O-N 3.13Å; T276-N278 VanDerWaalsContact O-N 3.11Å; T276-E279 PolarHBondContact N-OE2 3.46Å; T276-E279 PolarHBondContact O-N 3.2Å; T276-E279 PolarHBondContact OG1-OE2 2.92Å; T276-L280 PolarHBondContact O-N 3.29Å; T276-Q322 CarbonylContact C-O 3.58Å; T276-Q322 VanDerWaalsContact CA-O 3.32Å; T276-Q322 WeakPolarHBondContact CA-O 3.46Å; T276-Q322 WeakPolarHBondContact CB-O 3.16Å
277	L	92.6	Very high	94.7	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.157	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	-179.6	-169.1	67.3	0	0	0	113.1	A146 E279 K281 Q322	A146-L277 WeakPolarHBondContact CB-O 3.5Å; L277-E279 VanDerWaalsContact C-N 3.31Å; L277-K281 HydrophobicContact CD1-CB 4.33Å; L277-K281 HydrophobicContact CD1-CD 4.25Å; L277-K281 HydrophobicContact CD1-CG 3.99Å; L277-Q322 HydrophobicContact CB-CG 4.43Å; L277-Q322 HydrophobicContact CD2-CG 4.12Å; L277-Q322 PolarHBondContact N-O 3.19Å
278	N	91.9	Very high	94.4	Very high	131 Å²	131	57.9 Å²	57.9	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.6	176.6	-65.4	-20.2	0	0	0	112.8	A146 T276	A146-N278 WeakPolarHBondContact CA-O 3.5Å; A146-N278 WeakPolarHBondContact CB-O 3.27Å; A146-N278 PolarHBondContact N-O 3.1Å; T276-N278 PolarHBondContact O-N 3.13Å; T276-N278 VanDerWaalsContact O-N 3.11Å
279	E	93.4	Very high	94.3	Very high	70 Å²	70	59.1 Å²	59.1	33%	0.327	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-40	-178.7	-63.9	168.5	120.4	0	0	111.7	A146 T147 Y275 T276 L277	A146-E279 CarbonylContact C-O 3.51Å; A146-E279 WeakPolarHBondContact CA-O 3.39Å; T147-E279 PolarHBondContact N-O 3.35Å; Y275-E279 HydrophobicContact CD1-CB 4.22Å; T276-E279 PolarHBondContact N-OE2 3.46Å; T276-E279 PolarHBondContact O-N 3.2Å; T276-E279 PolarHBondContact OG1-OE2 2.92Å; L277-E279 VanDerWaalsContact C-N 3.31Å
280	L	94.8	Very high	94.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	130	-177.3	-171.7	70.5	0	0	0	110.8	T147 V149 W208 P210 D211 Y275 T276 F282	T147-L280 HydrophobicContact CG2-CD1 4.23Å; T147-L280 WeakPolarHBondContact O-CD1 3.43Å; V149-L280 HydrophobicContact CG2-CD1 3.59Å; W208-L280 HydrophobicContact CH2-CD1 3.83Å; W208-L280 HydrophobicContact CZ2-CD1 4.47Å; P210-L280 HydrophobicContact CB-CD2 4.44Å; D211-L280 WeakPolarHBondContact OD1-CD2 3.37Å; Y275-L280 HydrophobicContact CD2-CB 4.43Å; Y275-L280 HydrophobicContact CD2-CD2 3.86Å; Y275-L280 HydrophobicContact CG-CB 4.19Å; Y275-L280 HydrophobicContact CG-CD2 4.42Å; T276-L280 PolarHBondContact O-N 3.29Å; L280-F282 HydrophobicContact CD2-CE1 4.2Å; L280-F282 HydrophobicContact CD2-CE2 4.24Å; L280-F282 HydrophobicContact CD2-CZ 3.69Å; L280-F282 HydrophobicContact CG-CZ 4.4Å
281	K	95	Very high	94.2	Very high	78 Å²	78	61.2 Å²	61.2	34%	0.339	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.4	175.6	-174.3	173.4	180	176.7	0	111	T147 V149 L277 V283	T147-K281 PolarHBondContact O-N 3.13Å; V149-K281 PolarHBondContact N-O 2.79Å; L277-K281 HydrophobicContact CD1-CB 4.33Å; L277-K281 HydrophobicContact CD1-CD 4.25Å; L277-K281 HydrophobicContact CD1-CG 3.99Å; K281-V283 HydrophobicContact CD-CG2 4.35Å; K281-V283 HydrophobicContact CG-CG2 4.09Å
282	F	96.9	Very high	94.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138	168.1	-63.5	-56.4	0	0	0	109.8	V149 V151 P210 L212 I270 G271 L280 T324 L326	V149-F282 HydrophobicContact CB-CD1 3.62Å; V149-F282 HydrophobicContact CB-CE1 3.8Å; V149-F282 HydrophobicContact CG1-CD1 3.85Å; V149-F282 HydrophobicContact CG1-CE1 3.85Å; V149-F282 HydrophobicContact CG2-CD1 4.36Å; V149-F282 HydrophobicContact CG2-CE1 4.12Å; V149-F282 WeakPolarHBondContact O-CA 3.35Å; V151-F282 HydrophobicContact CG2-CB 4.12Å; V151-F282 HydrophobicContact CG2-CD1 3.79Å; V151-F282 HydrophobicContact CG2-CG 4.22Å; P210-F282 HydrophobicContact CB-CE1 3.9Å; P210-F282 HydrophobicContact CB-CZ 4.15Å; L212-F282 HydrophobicContact CB-CE1 4.07Å; L212-F282 HydrophobicContact CB-CE2 4.21Å; L212-F282 HydrophobicContact CB-CZ 3.66Å; L212-F282 HydrophobicContact CD1-CD1 4.39Å; L212-F282 HydrophobicContact CD1-CE1 4.19Å; L212-F282 HydrophobicContact CD1-CZ 4.42Å; L212-F282 HydrophobicContact CG-CE1 4.39Å; L212-F282 HydrophobicContact CG-CE2 4.32Å; L212-F282 HydrophobicContact CG-CZ 4.13Å; I270-F282 HydrophobicContact CG2-CD2 4.31Å; G271-F282 VanDerWaalsContact C-CE2 3.49Å; G271-F282 WeakPolarHBondContact O-CE2 3.15Å; L280-F282 HydrophobicContact CD2-CE1 4.2Å; L280-F282 HydrophobicContact CD2-CE2 4.24Å; L280-F282 HydrophobicContact CD2-CZ 3.69Å; L280-F282 HydrophobicContact CG-CZ 4.4Å; F282-T324 HydrophobicContact CB-CG2 4.28Å; F282-T324 HydrophobicContact CD2-CG2 3.29Å; F282-T324 HydrophobicContact CE2-CG2 3.84Å; F282-T324 HydrophobicContact CG-CG2 4.04Å; F282-T324 PolarHBondContact N-OG1 3.13Å; F282-T324 PolarHBondContact O-OG1 3.29Å; F282-L326 HydrophobicContact CB-CD1 3.57Å; F282-L326 HydrophobicContact CB-CG 3.85Å
283	V	97.1	Very high	94	Very high	38 Å²	38	64.8 Å²	64.8	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137	177.1	-177.4	0	0	0	0	109.1	I148 V149 T150 V151 K281	I148-V283 HydrophobicContact CG2-CG2 4.01Å; V149-V283 PolarHBondContact O-N 2.91Å; T150-V283 CarbonylContact C-O 3.58Å; T150-V283 VanDerWaalsContact CA-O 3.28Å; T150-V283 WeakPolarHBondContact CA-O 3.49Å; V151-V283 PolarHBondContact N-O 2.66Å; K281-V283 HydrophobicContact CD-CG2 4.35Å; K281-V283 HydrophobicContact CG-CG2 4.09Å
284	W	97.9	Very high	93.6	Very high	25 Å²	25	65.8 Å²	65.8	10%	0.095	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.3	173.6	-76.3	125.4	0	0	0	111.9	V151 M153 I270 H286 P289 V290 T309 N310 L326 A328	V151-W284 HydrophobicContact CB-CE3 4.43Å; V151-W284 HydrophobicContact CB-CZ3 4.44Å; V151-W284 HydrophobicContact CG1-CE3 4.46Å; V151-W284 HydrophobicContact CG1-CZ3 4Å; M153-W284 HydrophobicContact CE-CH2 3.5Å; M153-W284 VanDerWaalsContact CE-CH2 3.5Å; M153-W284 HydrophobicContact CE-CZ3 3.87Å; M153-W284 HydrophobicContact CG-CZ3 4.48Å; M153-W284 HydrophobicContact SD-CH2 4.48Å; I270-W284 HydrophobicContact CD1-CH2 3.95Å; W284-H286 PolarHBondContact O-N 2.78Å; W284-P289 HydrophobicContact CB-CB 3.88Å; W284-P289 HydrophobicContact CD2-CB 4.02Å; W284-P289 HydrophobicContact CE3-CB 3.8Å; W284-P289 HydrophobicContact CG-CB 4.08Å; W284-V290 HydrophobicContact CZ3-CG2 4.41Å; W284-T309 HydrophobicContact CD2-CG2 4.42Å; W284-T309 HydrophobicContact CZ2-CG2 4.47Å; W284-N310 PolarHBondContact NE1-O 2.79Å; W284-L326 HydrophobicContact CD2-CB 4.45Å; W284-L326 HydrophobicContact CD2-CD1 3.92Å; W284-L326 HydrophobicContact CE3-CD1 4.26Å; W284-L326 HydrophobicContact CG-CD1 4.22Å; W284-L326 HydrophobicContact CG-CD2 4.25Å; W284-L326 HydrophobicContact CH2-CB 4.37Å; W284-L326 HydrophobicContact CZ2-CB 3.63Å; W284-L326 HydrophobicContact CZ2-CD1 4.36Å; W284-A328 HydrophobicContact CH2-CB 4.1Å; W284-A328 HydrophobicContact CZ2-CB 3.92Å
285	N	96.7	Very high	93.3	Very high	56 Å²	56	72.7 Å²	72.7	30%	0.299	36%	0.356	S	S	.	.			trans	-64.1	129.2	169.8	-174.8	1.3	0	0	0	111	T150 V151 N152 N287 P289	T150-N285 HydrophobicContact CG2-CB 3.9Å; V151-N285 PolarHBondContact O-N 3.25Å; N152-N285 HydrophobicContact CB-CB 4.05Å; N285-N287 PolarHBondContact O-N 3.13Å; N285-P289 WeakPolarHBondContact O-CD 3.48Å
286	H	93.4	Very high	93	Very high	166 Å²	166	70.6 Å²	70.6	77%	0.769	35%	0.348	S	S	*	.	S	Bend	trans	-61	-39.8	-174.7	-60.8	86.7	0	0	0	114.4	W284	W284-H286 PolarHBondContact O-N 2.78Å
287	N	90.1	Very high	92.8	Very high	147 Å²	147	77.2 Å²	77.2	79%	0.786	38%	0.377	S	S	*	.	S	Bend	trans	-83.1	-40.7	-170.9	-69.6	-4.2	0	0	0	112.9	N285	N285-N287 PolarHBondContact O-N 3.13Å
288	K	91.6	Very high	92.7	Very high	135 Å²	135	76.7 Å²	76.7	59%	0.587	37%	0.374	S	S	*	.			trans	-153.8	95.1	179.4	-66.6	-169.9	-179.4	-177.1	0	108.1	N152 E291	N152-K288 PolarHBondContact ND2-O 2.95Å; K288-E291 HydrophobicContact CB-CG 4.04Å; K288-E291 HydrophobicContact CD-CG 4.13Å
289	P	95.5	Very high	92.4	Very high	26 Å²	26	75.2 Å²	75.2	17%	0.169	37%	0.374	C	S	.	.	S	Bend	trans	-74.3	-39.4	179.2	28.2	-33.7	0	0	0	111.6	N152 M153 W284 N285 T309	N152-P289 CarbonylContact C-O 3.5Å; N152-P289 WeakPolarHBondContact CA-O 3.39Å; M153-P289 PolarHBondContact N-O 3.48Å; W284-P289 HydrophobicContact CB-CB 3.88Å; W284-P289 HydrophobicContact CD2-CB 4.02Å; W284-P289 HydrophobicContact CE3-CB 3.8Å; W284-P289 HydrophobicContact CG-CB 4.08Å; N285-P289 WeakPolarHBondContact O-CD 3.48Å; P289-T309 HydrophobicContact CB-CG2 4.02Å; P289-T309 HydrophobicContact CG-CG2 3.78Å; P289-T309 WeakPolarHBondContact CG-OG1 3.35Å
290	V	96.6	Very high	92.1	Very high	19 Å²	19	76 Å²	76	12%	0.115	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.7	175.9	-174.5	0	0	0	0	109.7	M153 V155 W284 F307 T309 A328	M153-V290 HydrophobicContact CE-CG2 3.73Å; M153-V290 CarbonylContact O-C 3.58Å; M153-V290 VanDerWaalsContact O-CA 3.31Å; M153-V290 WeakPolarHBondContact O-CA 3.38Å; V155-V290 HydrophobicContact CG2-CG1 3.87Å; W284-V290 HydrophobicContact CZ3-CG2 4.41Å; V290-F307 HydrophobicContact CB-CB 3.93Å; V290-F307 HydrophobicContact CB-CD2 4.47Å; V290-F307 HydrophobicContact CB-CG 4.2Å; V290-F307 HydrophobicContact CG1-CB 4Å; V290-F307 HydrophobicContact CG1-CD1 4.2Å; V290-F307 HydrophobicContact CG1-CD2 3.67Å; V290-F307 HydrophobicContact CG1-CE2 4.17Å; V290-F307 HydrophobicContact CG1-CG 3.7Å; V290-F307 HydrophobicContact CG2-CB 4.19Å; V290-T309 HydrophobicContact CG2-CG2 3.78Å; V290-A328 HydrophobicContact CG2-CB 4.1Å
291	E	95	Very high	92	Very high	52 Å²	52	76.1 Å²	76.1	24%	0.243	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.5	175.2	-66.5	162.1	-140.4	0	0	109.5	N152 M153 K154 V155 R175 K288	N152-E291 PolarHBondContact ND2-OE1 3.48Å; M153-E291 PolarHBondContact O-N 3.06Å; K154-E291 CarbonylContact C-O 3.51Å; K154-E291 VanDerWaalsContact CA-O 3.29Å; K154-E291 WeakPolarHBondContact CA-O 3.1Å; K154-E291 HydrophobicContact CB-CB 4.07Å; K154-E291 HydrophobicContact CG-CB 3.94Å; V155-E291 PolarHBondContact N-O 2.92Å; R175-E291 IonicContact NH1-OE1 3.34Å; R175-E291 PolarHBondContact NH1-OE1 3.08Å; R175-E291 IonicContact NH1-OE2 3.81Å; K288-E291 HydrophobicContact CB-CG 4.04Å; K288-E291 HydrophobicContact CD-CG 4.13Å
292	L	93.8	Very high	91.8	Very high	48 Å²	48	76.5 Å²	76.5	25%	0.251	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	151.1	169.6	-63.9	104.6	0	0	0	111.1	L296 P304 F307	L292-L296 HydrophobicContact CD2-CD2 3.89Å; L292-P304 WeakPolarHBondContact CD2-O 3.08Å; L292-F307 HydrophobicContact CD1-CD2 3.99Å; L292-F307 HydrophobicContact CD1-CE2 4.38Å; L292-F307 HydrophobicContact CD2-CD2 4.12Å; L292-F307 HydrophobicContact CD2-CE2 3.71Å; L292-F307 HydrophobicContact CG-CD2 4.06Å; L292-F307 HydrophobicContact CG-CE2 3.95Å
293	A	91.4	Very high	91.5	Very high	28 Å²	28	78.8 Å²	78.8	23%	0.231	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-67.5	137.9	167.6	0	0	0	0	0	110.9	V155 K295 L296	V155-A293 PolarHBondContact O-N 2.79Å; V155-A293 VanDerWaalsContact O-N 3.08Å; A293-K295 PolarHBondContact O-N 3.3Å; A293-K295 VanDerWaalsContact O-N 3.13Å; A293-L296 HydrophobicContact CB-CB 4.47Å; A293-L296 WeakPolarHBondContact O-CB 3.12Å; A293-L296 PolarHBondContact O-N 2.82Å
294	E	84.9	Confident	91.2	Very high	199 Å²	199	77.4 Å²	77.4	93%	0.93	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.2	-172.9	-66	177.4	-177.8	0	0	114.6
295	K	83.8	Confident	90.7	Very high	189 Å²	189	85.1 Å²	85.1	82%	0.822	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	40.8	179.8	-62.8	-175.9	-179.1	-179.7	0	111.4	A293 Q297	A293-K295 PolarHBondContact O-N 3.3Å; A293-K295 VanDerWaalsContact O-N 3.13Å; K295-Q297 PolarHBondContact O-N 3.14Å
296	L	87.9	Confident	90.4	Very high	13 Å²	13	88.9 Å²	88.9	7%	0.068	44%	0.438	C	S	.	.			trans	-63.1	123.6	172.5	-176.3	68.2	0	0	0	108.7	V155 I158 L292 A293 L298 T303	V155-L296 HydrophobicContact CG1-CD2 4.48Å; I158-L296 HydrophobicContact CD1-CD2 4.13Å; I158-L296 HydrophobicContact CG1-CD2 4.2Å; L292-L296 HydrophobicContact CD2-CD2 3.89Å; A293-L296 HydrophobicContact CB-CB 4.47Å; A293-L296 WeakPolarHBondContact O-CB 3.12Å; A293-L296 PolarHBondContact O-N 2.82Å; L296-L298 HydrophobicContact CD1-CD1 4.24Å; L296-L298 HydrophobicContact CD2-CD1 3.96Å; L296-L298 HydrophobicContact CG-CD1 3.72Å; L296-T303 HydrophobicContact CB-CG2 3.82Å; L296-T303 HydrophobicContact CD2-CG2 3.94Å; L296-T303 HydrophobicContact CG-CG2 3.97Å; L296-T303 WeakPolarHBondContact O-CG2 3.06Å; L296-T303 PolarHBondContact O-OG1 3.36Å
297	Q	88.2	Confident	90.5	Very high	171 Å²	171	81.9 Å²	81.9	80%	0.799	41%	0.405	S	S	*	.			trans	-125.1	134.8	173.4	-71.3	-175.1	-27.5	0	0	108.4	K295	K295-Q297 PolarHBondContact O-N 3.14Å
298	L	90.5	Very high	90.8	Very high	18 Å²	18	80.2 Å²	80.2	9%	0.094	40%	0.395	C	S	.	.			trans	-107.2	150.4	175.1	-79.5	66.8	0	0	0	108.9	I158 I161 L296 F301 T303 L332	I158-L298 HydrophobicContact CB-CD1 4.19Å; I158-L298 HydrophobicContact CB-CD2 4.14Å; I158-L298 HydrophobicContact CB-CG 4.15Å; I158-L298 HydrophobicContact CG2-CD2 4.12Å; I161-L298 HydrophobicContact CD1-CD2 3.78Å; L296-L298 HydrophobicContact CD1-CD1 4.24Å; L296-L298 HydrophobicContact CD2-CD1 3.96Å; L296-L298 HydrophobicContact CG-CD1 3.72Å; L298-F301 HydrophobicContact CB-CB 4.19Å; L298-F301 HydrophobicContact CD2-CB 4.18Å; L298-T303 HydrophobicContact CD1-CG2 4.5Å; L298-L332 HydrophobicContact CD2-CD2 3.31Å
299	S	85.9	Confident	91	Very high	100 Å²	100	76 Å²	76	70%	0.699	38%	0.38	S	S	*	.	S	Bend	trans	-79.6	136.9	167.4	-164.3	0	0	0	0	108.3	F301	S299-F301 WeakPolarHBondContact O-CD2 3.47Å; S299-F301 PolarHBondContact O-N 2.86Å
300	E	87.8	Confident	91	Very high	88 Å²	88	78.2 Å²	78.2	41%	0.411	39%	0.391	S	S	.	.	S	Bend	trans	66.5	-15.7	178.4	-52.4	178.4	-169.7	0	0	117.2	R334 Q335	E300-R334 IonicContact OE2-NH1 2.98Å; E300-Q335 WeakPolarHBondContact O-CB 3.4Å; E300-Q335 PolarHBondContact O-N 3.14Å
301	F	92.5	Very high	90.9	Very high	2 Å²	2	80.9 Å²	80.9	1%	0.009	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-121.2	150.1	-177.4	-62.2	-86.7	0	0	0	112	I161 L298 S299 L332 Q333 R334	I161-F301 HydrophobicContact CB-CE2 4Å; I161-F301 HydrophobicContact CD1-CD2 3.63Å; I161-F301 HydrophobicContact CD1-CE2 3.89Å; I161-F301 HydrophobicContact CD1-CG 4.44Å; I161-F301 HydrophobicContact CG2-CE2 3.67Å; I161-F301 HydrophobicContact CG2-CZ 4.03Å; L298-F301 HydrophobicContact CB-CB 4.19Å; L298-F301 HydrophobicContact CD2-CB 4.18Å; S299-F301 WeakPolarHBondContact O-CD2 3.47Å; S299-F301 PolarHBondContact O-N 2.86Å; F301-L332 HydrophobicContact CB-CD2 4.21Å; F301-L332 HydrophobicContact CD1-CB 3.77Å; F301-L332 HydrophobicContact CE1-CB 4.13Å; F301-L332 HydrophobicContact CG-CB 4.31Å; F301-L332 HydrophobicContact CG-CD2 4.33Å; F301-Q333 CarbonylContact C-O 3.56Å; F301-Q333 VanDerWaalsContact CA-O 3.27Å; F301-Q333 WeakPolarHBondContact CA-O 3.43Å; F301-R334 HydrophobicContact CD1-CB 4.12Å; F301-R334 HydrophobicContact CE1-CB 4.07Å; F301-R334 HydrophobicContact CE1-CG 4.36Å; F301-R334 VanDerWaalsContact CZ-NH1 3.28Å
302	E	91.4	Very high	90.9	Very high	86 Å²	86	79.8 Å²	79.8	40%	0.402	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-67.9	144	165.1	-168.9	170	166.6	0	0	110.1	Q333	E302-Q333 HydrophobicContact CB-CB 4.31Å; E302-Q333 PolarHBondContact N-O 3.14Å
303	T	90.6	Very high	90.8	Very high	49 Å²	49	77.7 Å²	77.7	30%	0.301	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-65	129.6	179.5	-57.8	0	0	0	0	110.2	L296 L298 K305	L296-T303 HydrophobicContact CB-CG2 3.82Å; L296-T303 HydrophobicContact CD2-CG2 3.94Å; L296-T303 HydrophobicContact CG-CG2 3.97Å; L296-T303 WeakPolarHBondContact O-CG2 3.06Å; L296-T303 PolarHBondContact O-OG1 3.36Å; L298-T303 HydrophobicContact CD1-CG2 4.5Å; T303-K305 PolarHBondContact O-N 2.75Å
304	P	90.8	Very high	90.6	Very high	9 Å²	9	81.6 Å²	81.6	6%	0.058	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-58.1	132.1	176.2	-22.9	32.3	0	0	0	111.3	I158 L292 F330 L332	I158-P304 HydrophobicContact CD1-CG 4.22Å; L292-P304 WeakPolarHBondContact CD2-O 3.08Å; P304-F330 HydrophobicContact CB-CB 4.21Å; P304-F330 HydrophobicContact CB-CD2 4.37Å; P304-F330 HydrophobicContact CG-CD2 3.78Å; P304-L332 HydrophobicContact CG-CD2 4.13Å
305	K	87.2	Confident	90.3	Very high	186 Å²	186	75.5 Å²	75.5	81%	0.809	41%	0.408	S	S	*	.	S	Bend	trans	-70.5	-40.4	-179.9	-66.2	176.3	-177	168	0	111.9	T303	T303-K305 PolarHBondContact O-N 2.75Å
306	E	90.4	Very high	89.9	Confident	136 Å²	136	71 Å²	71	64%	0.636	39%	0.386	S	S	*	.			trans	-155.1	168.4	-178.7	63.6	-178.2	-179.7	0	0	112
307	F	94.5	Very high	89.7	Confident	18 Å²	18	74.9 Å²	74.9	8%	0.079	42%	0.415	C	S	.	.			trans	-108.7	123.4	168.8	-79.7	-106.9	0	0	0	109	V155 I158 I268 V290 L292 T309 A328 T329 F330	V155-F307 HydrophobicContact CG2-CE2 3.96Å; V155-F307 HydrophobicContact CG2-CZ 3.84Å; I158-F307 HydrophobicContact CD1-CZ 4.19Å; I268-F307 HydrophobicContact CD1-CE1 4.27Å; V290-F307 HydrophobicContact CB-CB 3.93Å; V290-F307 HydrophobicContact CB-CD2 4.47Å; V290-F307 HydrophobicContact CB-CG 4.2Å; V290-F307 HydrophobicContact CG1-CB 4Å; V290-F307 HydrophobicContact CG1-CD1 4.2Å; V290-F307 HydrophobicContact CG1-CD2 3.67Å; V290-F307 HydrophobicContact CG1-CE2 4.17Å; V290-F307 HydrophobicContact CG1-CG 3.7Å; V290-F307 HydrophobicContact CG2-CB 4.19Å; L292-F307 HydrophobicContact CD1-CD2 3.99Å; L292-F307 HydrophobicContact CD1-CE2 4.38Å; L292-F307 HydrophobicContact CD2-CD2 4.12Å; L292-F307 HydrophobicContact CD2-CE2 3.71Å; L292-F307 HydrophobicContact CG-CD2 4.06Å; L292-F307 HydrophobicContact CG-CE2 3.95Å; F307-T309 PolarHBondContact O-N 2.94Å; F307-A328 HydrophobicContact CD1-CB 4.19Å; F307-T329 CarbonylContact C-O 3.55Å; F307-T329 WeakPolarHBondContact CA-O 3.14Å; F307-F330 HydrophobicContact CD1-CB 3.82Å; F307-F330 AromaticContact CD1-CD1 3.83Å; F307-F330 HydrophobicContact CD1-CD1 3.83Å; F307-F330 HydrophobicContact CD1-CG 4.17Å; F307-F330 HydrophobicContact CD2-CB 4.4Å; F307-F330 HydrophobicContact CE1-CB 3.75Å; F307-F330 AromaticContact CE1-CD1 3.17Å; F307-F330 HydrophobicContact CE1-CD1 3.17Å; F307-F330 AromaticContact CE1-CE1 3.88Å; F307-F330 HydrophobicContact CE1-CE1 3.88Å; F307-F330 AromaticContact CE1-CG 3.62Å; F307-F330 HydrophobicContact CE1-CG 3.62Å; F307-F330 HydrophobicContact CE2-CB 4.31Å; F307-F330 HydrophobicContact CG-CB 4.15Å; F307-F330 HydrophobicContact CZ-CB 3.99Å; F307-F330 AromaticContact CZ-CD1 3.76Å; F307-F330 HydrophobicContact CZ-CD1 3.76Å; F307-F330 HydrophobicContact CZ-CE1 4.35Å; F307-F330 AromaticContact CZ-CG 3.83Å; F307-F330 HydrophobicContact CZ-CG 3.83Å
308	I	95.7	Very high	89.6	Confident	112 Å²	112	68.9 Å²	68.9	57%	0.574	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.7	172.1	-57.7	172.5	0	0	0	107.5	A328 T329	I308-A328 CarbonylContact O-C 3.59Å; I308-A328 WeakPolarHBondContact O-CA 3.34Å; I308-T329 PolarHBondContact N-O 3.43Å; I308-T329 PolarHBondContact O-N 3.01Å
309	T	96.4	Very high	89.4	Confident	46 Å²	46	74.4 Å²	74.4	28%	0.282	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.3	-178.2	57.9	0	0	0	0	111.3	W284 P289 V290 F307 N327 A328	W284-T309 HydrophobicContact CD2-CG2 4.42Å; W284-T309 HydrophobicContact CZ2-CG2 4.47Å; P289-T309 HydrophobicContact CB-CG2 4.02Å; P289-T309 HydrophobicContact CG-CG2 3.78Å; P289-T309 WeakPolarHBondContact CG-OG1 3.35Å; V290-T309 HydrophobicContact CG2-CG2 3.78Å; F307-T309 PolarHBondContact O-N 2.94Å; T309-N327 WeakPolarHBondContact CA-O 3.24Å; T309-A328 HydrophobicContact CG2-CB 4.1Å
310	N	95.1	Very high	89.6	Confident	74 Å²	74	74.1 Å²	74.1	40%	0.396	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153	177.4	59.7	-19.5	0	0	0	112	W284 N327	W284-N310 PolarHBondContact NE1-O 2.79Å; N310-N327 PolarHBondContact N-O 3.28Å; N310-N327 PolarHBondContact O-N 2.75Å; N310-N327 VanDerWaalsContact OD1-CB 3.24Å; N310-N327 WeakPolarHBondContact OD1-CB 3.37Å; N310-N327 PolarHBondContact OD1-ND2 3.49Å; N310-N327 VanDerWaalsContact OD1-ND2 3.11Å; N310-N327 PolarHBondContact OD1-O 2.92Å; N310-N327 VanDerWaalsContact OD1-O 3.12Å
311	D	95.3	Very high	89.7	Confident	74 Å²	74	71.1 Å²	71.1	40%	0.396	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.5	168.1	-176.4	-11.1	0	0	0	108.1	S313 C325 L326	D311-S313 WeakPolarHBondContact OD1-CB 3.37Å; D311-S313 PolarHBondContact OD1-N 2.83Å; D311-S313 PolarHBondContact OD1-OG 3.37Å; D311-C325 VanDerWaalsContact OD1-O 3.13Å; D311-L326 HydrophobicContact CB-CD2 4.35Å
312	C	94.1	Very high	89.7	Confident	30 Å²	30	74.9 Å²	74.9	20%	0.203	43%	0.434	C	S	.	.			trans	-99.1	12.5	-179.1	43.7	0	0	0	0	112.9	S314 G315 C325 N327	C312-S314 VanDerWaalsContact C-N 3.26Å; C312-S314 PolarHBondContact O-N 2.78Å; C312-G315 PolarHBondContact O-N 3.19Å; C312-C325 HydrophobicContact CB-CB 3.93Å; C312-C325 WeakPolarHBondContact CB-SG 3.36Å; C312-C325 PolarHBondContact N-O 3.48Å; C312-C325 WeakPolarHBondContact SG-CB 3.19Å; C312-C325 PolarHBondContact SG-O 3.17Å; C312-C325 CovalentContact SG-SG 2.04Å; C312-C325 PolarHBondContact SG-SG 3.24Å; C312-N327 VanDerWaalsContact SG-CB 3.57Å
313	S	92.8	Very high	89.9	Confident	4 Å²	4	72 Å²	72	3%	0.028	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-63.8	-26.9	-173.6	-54.4	0	0	0	0	113.6	D311 G315 Q322 T324 C325	D311-S313 WeakPolarHBondContact OD1-CB 3.37Å; D311-S313 PolarHBondContact OD1-N 2.83Å; D311-S313 PolarHBondContact OD1-OG 3.37Å; S313-G315 VanDerWaalsContact C-N 3.34Å; S313-G315 PolarHBondContact O-N 3.03Å; S313-Q322 PolarHBondContact O-NE2 3.17Å; S313-T324 WeakPolarHBondContact OG-CA 3.29Å; S313-C325 PolarHBondContact N-O 3.5Å; S313-C325 PolarHBondContact OG-N 2.74Å; S313-C325 PolarHBondContact OG-O 2.74Å
314	S	86.6	Confident	90.1	Very high	110 Å²	110	69.7 Å²	69.7	77%	0.769	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-68.5	-30.2	179.6	55.8	0	0	0	0	113.4	C312	C312-S314 VanDerWaalsContact C-N 3.26Å; C312-S314 PolarHBondContact O-N 2.78Å
315	G	79.4	Confident	90.3	Very high	71 Å²	71	69.4 Å²	69.4	73%	0.732	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-89.6	-4.3	-176.4	0	0	0	0	0	114.7	C312 S313	C312-G315 PolarHBondContact O-N 3.19Å; S313-G315 VanDerWaalsContact C-N 3.34Å; S313-G315 PolarHBondContact O-N 3.03Å
316	Y	74.5	Confident	90.8	Very high	93 Å²	93	60.6 Å²	60.6	37%	0.365	37%	0.366	S	S	.	.			trans	-117.5	93.3	-169	-157.1	-84	0	0	0	112.5	R215 T318	R215-Y316 PolarHBondContact NH1-OH 3.35Å; Y316-T318 HydrophobicContact CD1-CG2 4.17Å; Y316-T318 HydrophobicContact CE1-CG2 3.41Å; Y316-T318 VanDerWaalsContact CE1-CG2 3.41Å
317	S	84.1	Confident	91.1	Very high	96 Å²	96	55.1 Å²	55.1	67%	0.671	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.9	169.5	179.9	0	0	0	0	109.6
318	T	85.2	Confident	91.2	Very high	45 Å²	45	54.2 Å²	54.2	28%	0.276	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	173.3	170.8	62	0	0	0	0	109.5	Y316 T320 G321 Y323	Y316-T318 HydrophobicContact CD1-CG2 4.17Å; Y316-T318 HydrophobicContact CE1-CG2 3.41Å; Y316-T318 VanDerWaalsContact CE1-CG2 3.41Å; T318-T320 PolarHBondContact O-N 3.28Å; T318-T320 VanDerWaalsContact O-N 3.12Å; T318-T320 PolarHBondContact OG1-N 3.01Å; T318-T320 PolarHBondContact OG1-OG1 3.03Å; T318-G321 PolarHBondContact N-O 3.15Å; T318-G321 PolarHBondContact O-N 2.79Å; T318-G321 VanDerWaalsContact O-N 3.14Å; T318-G321 PolarHBondContact OG1-O 2.69Å; T318-Y323 VanDerWaalsContact OG1-CE2 3.27Å; T318-Y323 WeakPolarHBondContact OG1-CE2 3.22Å
319	S	87	Confident	91.3	Very high	133 Å²	133	50.5 Å²	50.5	93%	0.93	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.5	172.4	52.8	0	0	0	0	113.7
320	T	89.3	Confident	91.2	Very high	95 Å²	95	48.4 Å²	48.4	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.4	-179	56.6	0	0	0	0	113.7	T318 Y323	T318-T320 PolarHBondContact O-N 3.28Å; T318-T320 VanDerWaalsContact O-N 3.12Å; T318-T320 PolarHBondContact OG1-N 3.01Å; T318-T320 PolarHBondContact OG1-OG1 3.03Å; T320-Y323 WeakPolarHBondContact CB-OH 3.25Å; T320-Y323 VanDerWaalsContact OG1-CE2 3.29Å; T320-Y323 WeakPolarHBondContact OG1-CE2 3.5Å; T320-Y323 PolarHBondContact OG1-OH 2.97Å
321	G	90.8	Very high	91.2	Very high	24 Å²	24	49.1 Å²	49.1	25%	0.247	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-169.5	177.8	0	0	0	0	0	113.9	T318 Y323	T318-G321 PolarHBondContact N-O 3.15Å; T318-G321 PolarHBondContact O-N 2.79Å; T318-G321 VanDerWaalsContact O-N 3.14Å; T318-G321 PolarHBondContact OG1-O 2.69Å; G321-Y323 WeakPolarHBondContact O-CD2 3.27Å
322	Q	93.2	Very high	91.1	Very high	82 Å²	82	45.6 Å²	45.6	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.8	174.2	-169	174	2.2	0	0	109.6	T276 L277 S313	T276-Q322 CarbonylContact C-O 3.58Å; T276-Q322 VanDerWaalsContact CA-O 3.32Å; T276-Q322 WeakPolarHBondContact CA-O 3.46Å; T276-Q322 WeakPolarHBondContact CB-O 3.16Å; L277-Q322 HydrophobicContact CB-CG 4.43Å; L277-Q322 HydrophobicContact CD2-CG 4.12Å; L277-Q322 PolarHBondContact N-O 3.19Å; S313-Q322 PolarHBondContact O-NE2 3.17Å
323	Y	94	Very high	91	Very high	25 Å²	25	48.4 Å²	48.4	10%	0.098	30%	0.298	C	S	.	.			trans	-122.8	150.7	-176.2	-69.1	-99.9	0	0	0	110.5	Y275 T318 T320 G321	Y275-Y323 WeakPolarHBondContact O-CD1 3.25Å; Y275-Y323 WeakPolarHBondContact O-CE1 3.44Å; T318-Y323 VanDerWaalsContact OG1-CE2 3.27Å; T318-Y323 WeakPolarHBondContact OG1-CE2 3.22Å; T320-Y323 WeakPolarHBondContact CB-OH 3.25Å; T320-Y323 VanDerWaalsContact OG1-CE2 3.29Å; T320-Y323 WeakPolarHBondContact OG1-CE2 3.5Å; T320-Y323 PolarHBondContact OG1-OH 2.97Å; G321-Y323 WeakPolarHBondContact O-CD2 3.27Å
324	T	94.9	Very high	91	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.299	C	S	.	.			trans	-65.4	141.9	173.6	-177.5	0	0	0	0	111.5	R215 G271 F282 S313	R215-T324 PolarHBondContact NH2-O 3.33Å; G271-T324 WeakPolarHBondContact CA-O 3.5Å; F282-T324 HydrophobicContact CB-CG2 4.28Å; F282-T324 HydrophobicContact CD2-CG2 3.29Å; F282-T324 HydrophobicContact CE2-CG2 3.84Å; F282-T324 HydrophobicContact CG-CG2 4.04Å; F282-T324 PolarHBondContact N-OG1 3.13Å; F282-T324 PolarHBondContact O-OG1 3.29Å; S313-T324 WeakPolarHBondContact OG-CA 3.29Å
325	C	95.6	Very high	91.3	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	119.2	-179.3	-179.7	0	0	0	0	108.9	I270 D311 C312 S313	I270-C325 WeakPolarHBondContact O-CA 3.46Å; D311-C325 VanDerWaalsContact OD1-O 3.13Å; C312-C325 HydrophobicContact CB-CB 3.93Å; C312-C325 WeakPolarHBondContact CB-SG 3.36Å; C312-C325 PolarHBondContact N-O 3.48Å; C312-C325 WeakPolarHBondContact SG-CB 3.19Å; C312-C325 PolarHBondContact SG-O 3.17Å; C312-C325 CovalentContact SG-SG 2.04Å; C312-C325 PolarHBondContact SG-SG 3.24Å; S313-C325 PolarHBondContact N-O 3.5Å; S313-C325 PolarHBondContact OG-N 2.74Å; S313-C325 PolarHBondContact OG-O 2.74Å
326	L	97.3	Very high	91.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	171.2	-68.1	-171.7	0	0	0	108.8	V151 I270 F282 W284 D311	V151-L326 HydrophobicContact CB-CD1 4.08Å; V151-L326 HydrophobicContact CG2-CD1 4.12Å; I270-L326 HydrophobicContact CB-CB 4.22Å; I270-L326 PolarHBondContact N-O 3.42Å; I270-L326 PolarHBondContact O-N 2.99Å; F282-L326 HydrophobicContact CB-CD1 3.57Å; F282-L326 HydrophobicContact CB-CG 3.85Å; W284-L326 HydrophobicContact CD2-CB 4.45Å; W284-L326 HydrophobicContact CD2-CD1 3.92Å; W284-L326 HydrophobicContact CE3-CD1 4.26Å; W284-L326 HydrophobicContact CG-CD1 4.22Å; W284-L326 HydrophobicContact CG-CD2 4.25Å; W284-L326 HydrophobicContact CH2-CB 4.37Å; W284-L326 HydrophobicContact CZ2-CB 3.63Å; W284-L326 HydrophobicContact CZ2-CD1 4.36Å; D311-L326 HydrophobicContact CB-CD2 4.35Å
327	N	96.7	Very high	92.7	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.107	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.5	-178.6	-179.8	65	0	0	0	110.7	H267 I268 T309 N310 C312 T329	H267-N327 WeakPolarHBondContact CB-OD1 3.34Å; H267-N327 PolarHBondContact CD2-OD1 3.04Å; I268-N327 WeakPolarHBondContact O-CA 3.41Å; I268-N327 PolarHBondContact O-OD1 2.96Å; T309-N327 WeakPolarHBondContact CA-O 3.24Å; N310-N327 PolarHBondContact N-O 3.28Å; N310-N327 PolarHBondContact O-N 2.75Å; N310-N327 VanDerWaalsContact OD1-CB 3.24Å; N310-N327 WeakPolarHBondContact OD1-CB 3.37Å; N310-N327 PolarHBondContact OD1-ND2 3.49Å; N310-N327 VanDerWaalsContact OD1-ND2 3.11Å; N310-N327 PolarHBondContact OD1-O 2.92Å; N310-N327 VanDerWaalsContact OD1-O 3.12Å; C312-N327 VanDerWaalsContact SG-CB 3.57Å; N327-T329 PolarHBondContact ND2-OG1 3.31Å
328	A	97.5	Very high	93	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	109.5	177.8	0	0	0	0	0	108.7	M153 H267 I268 W284 V290 F307 I308 T309	M153-A328 HydrophobicContact CE-CB 4.05Å; H267-A328 CarbonylContact C-O 3.59Å; H267-A328 VanDerWaalsContact CA-O 3.25Å; H267-A328 WeakPolarHBondContact CA-O 3.44Å; I268-A328 HydrophobicContact CB-CB 4.43Å; I268-A328 PolarHBondContact N-O 3Å; I268-A328 PolarHBondContact O-N 3.23Å; W284-A328 HydrophobicContact CH2-CB 4.1Å; W284-A328 HydrophobicContact CZ2-CB 3.92Å; V290-A328 HydrophobicContact CG2-CB 4.1Å; F307-A328 HydrophobicContact CD1-CB 4.19Å; I308-A328 CarbonylContact O-C 3.59Å; I308-A328 WeakPolarHBondContact O-CA 3.34Å; T309-A328 HydrophobicContact CG2-CB 4.1Å
329	T	96.9	Very high	93.4	Very high	33 Å²	33	42.9 Å²	42.9	20%	0.202	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.5	-173.8	-50.9	0	0	0	0	110.1	C266 H267 F307 I308 N327	C266-T329 CarbonylContact O-C 3.48Å; C266-T329 WeakPolarHBondContact O-CA 3.43Å; C266-T329 WeakPolarHBondContact O-CG2 3.34Å; H267-T329 HydrophobicContact CB-CG2 4.35Å; F307-T329 CarbonylContact C-O 3.55Å; F307-T329 WeakPolarHBondContact CA-O 3.14Å; I308-T329 PolarHBondContact N-O 3.43Å; I308-T329 PolarHBondContact O-N 3.01Å; N327-T329 PolarHBondContact ND2-OG1 3.31Å
330	F	95.6	Very high	93.8	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.3	175.9	63.6	-78.2	0	0	0	110.2	I158 Y168 I170 C266 P304 F307 L332	I158-F330 HydrophobicContact CD1-CD2 4.32Å; I158-F330 HydrophobicContact CD1-CE2 4Å; I158-F330 HydrophobicContact CD1-CZ 4.41Å; Y168-F330 HydrophobicContact CD2-CZ 4.17Å; Y168-F330 HydrophobicContact CE1-CZ 4.33Å; Y168-F330 HydrophobicContact CE2-CE1 4.04Å; Y168-F330 AromaticContact CE2-CZ 3.76Å; Y168-F330 HydrophobicContact CE2-CZ 3.76Å; Y168-F330 AromaticContact CZ-CE1 3.83Å; Y168-F330 AromaticContact CZ-CZ 3.8Å; I170-F330 HydrophobicContact CD1-CE1 4.28Å; I170-F330 HydrophobicContact CD1-CZ 4.27Å; C266-F330 HydrophobicContact CB-CD1 4.37Å; C266-F330 HydrophobicContact CB-CE1 3.71Å; C266-F330 HydrophobicContact CB-CE2 4.01Å; C266-F330 HydrophobicContact CB-CZ 3.5Å; C266-F330 PolarHBondContact N-O 3.2Å; C266-F330 WeakPolarHBondContact O-CD1 3.38Å; C266-F330 PolarHBondContact O-N 2.96Å; P304-F330 HydrophobicContact CB-CB 4.21Å; P304-F330 HydrophobicContact CB-CD2 4.37Å; P304-F330 HydrophobicContact CG-CD2 3.78Å; F307-F330 HydrophobicContact CD1-CB 3.82Å; F307-F330 AromaticContact CD1-CD1 3.83Å; F307-F330 HydrophobicContact CD1-CD1 3.83Å; F307-F330 HydrophobicContact CD1-CG 4.17Å; F307-F330 HydrophobicContact CD2-CB 4.4Å; F307-F330 HydrophobicContact CE1-CB 3.75Å; F307-F330 AromaticContact CE1-CD1 3.17Å; F307-F330 HydrophobicContact CE1-CD1 3.17Å; F307-F330 AromaticContact CE1-CE1 3.88Å; F307-F330 HydrophobicContact CE1-CE1 3.88Å; F307-F330 AromaticContact CE1-CG 3.62Å; F307-F330 HydrophobicContact CE1-CG 3.62Å; F307-F330 HydrophobicContact CE2-CB 4.31Å; F307-F330 HydrophobicContact CG-CB 4.15Å; F307-F330 HydrophobicContact CZ-CB 3.99Å; F307-F330 AromaticContact CZ-CD1 3.76Å; F307-F330 HydrophobicContact CZ-CD1 3.76Å; F307-F330 HydrophobicContact CZ-CE1 4.35Å; F307-F330 AromaticContact CZ-CG 3.83Å; F307-F330 HydrophobicContact CZ-CG 3.83Å; F330-L332 HydrophobicContact CD2-CD2 4.14Å; F330-L332 HydrophobicContact CD2-CG 3.97Å; F330-L332 HydrophobicContact CE2-CD1 3.85Å; F330-L332 HydrophobicContact CE2-CD2 3.84Å; F330-L332 HydrophobicContact CE2-CG 3.66Å
331	E	94.2	Very high	94	Very high	88 Å²	88	37.8 Å²	37.8	41%	0.411	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.8	178.5	-172	179.5	-172	0	0	110	N263 Q264	N263-E331 HydrophobicContact CB-CG 4.33Å; N263-E331 WeakPolarHBondContact CB-OE1 3.42Å; N263-E331 PolarHBondContact ND2-OE1 3.02Å; Q264-E331 WeakPolarHBondContact O-CA 3.4Å
332	L	93.6	Very high	94.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.5	173.9	-71.2	171	0	0	0	108.6	I161 N263 Q264 L298 F301 P304 F330	I161-L332 HydrophobicContact CD1-CD1 4Å; I161-L332 HydrophobicContact CD1-CD2 4.07Å; I161-L332 HydrophobicContact CG2-CD1 4.37Å; N263-L332 WeakPolarHBondContact CA-O 3.21Å; Q264-L332 HydrophobicContact CB-CB 4.17Å; Q264-L332 PolarHBondContact N-O 3.4Å; Q264-L332 PolarHBondContact O-N 3.43Å; L298-L332 HydrophobicContact CD2-CD2 3.31Å; F301-L332 HydrophobicContact CB-CD2 4.21Å; F301-L332 HydrophobicContact CD1-CB 3.77Å; F301-L332 HydrophobicContact CE1-CB 4.13Å; F301-L332 HydrophobicContact CG-CB 4.31Å; F301-L332 HydrophobicContact CG-CD2 4.33Å; P304-L332 HydrophobicContact CG-CD2 4.13Å; F330-L332 HydrophobicContact CD2-CD2 4.14Å; F330-L332 HydrophobicContact CD2-CG 3.97Å; F330-L332 HydrophobicContact CE2-CD1 3.85Å; F330-L332 HydrophobicContact CE2-CD2 3.84Å; F330-L332 HydrophobicContact CE2-CG 3.66Å
333	Q	92.4	Very high	94.1	Very high	89 Å²	89	37.6 Å²	37.6	42%	0.416	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.8	174.9	179.8	173	-0.3	0	0	109.8	F301 E302	F301-Q333 CarbonylContact C-O 3.56Å; F301-Q333 VanDerWaalsContact CA-O 3.27Å; F301-Q333 WeakPolarHBondContact CA-O 3.43Å; E302-Q333 HydrophobicContact CB-CB 4.31Å; E302-Q333 PolarHBondContact N-O 3.14Å
334	R	93	Very high	94.2	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.038	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-75	139	-178.3	-167.4	177.3	-54.9	-79.9	-5.2	111.9	P260 D262 E300 F301 Y339	P260-R334 WeakPolarHBondContact O-CB 3.25Å; P260-R334 WeakPolarHBondContact O-CD 3.32Å; D262-R334 PolarHBondContact O-N 3Å; D262-R334 WeakPolarHBondContact OD1-CD 3.48Å; D262-R334 IonicContact OD1-CZ 3.61Å; D262-R334 IonicContact OD1-NE 3.76Å; D262-R334 PolarHBondContact OD1-NE 3.5Å; D262-R334 IonicContact OD1-NH2 3.65Å; D262-R334 IonicContact OD2-CZ 3.71Å; D262-R334 IonicContact OD2-NE 2.75Å; D262-R334 PolarHBondContact OD2-NE 3.37Å; D262-R334 IonicContact OD2-NH2 3.75Å; D262-R334 PolarHBondContact OD2-NH2 2.61Å; E300-R334 IonicContact OE2-NH1 2.98Å; F301-R334 HydrophobicContact CD1-CB 4.12Å; F301-R334 HydrophobicContact CE1-CB 4.07Å; F301-R334 HydrophobicContact CE1-CG 4.36Å; F301-R334 VanDerWaalsContact CZ-NH1 3.28Å; R334-Y339 VanDerWaalsContact CD-CE2 3.47Å; R334-Y339 HydrophobicContact CG-CE2 3.94Å
335	Q	92	Very high	94.3	Very high	104 Å²	104	41 Å²	41	49%	0.486	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-82.6	119	174.1	-65.9	-172.8	-17.4	0	0	111.1	E300 G337	E300-Q335 WeakPolarHBondContact O-CB 3.4Å; E300-Q335 PolarHBondContact O-N 3.14Å; Q335-G337 PolarHBondContact O-N 3.28Å
336	L	91.6	Very high	94.3	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.236	25%	0.247	C	C	.	.			trans	-77.3	-19.7	-174.9	-67.5	174.2	0	0	0	115	P260 M261 S338 Y339 L340 L548	P260-L336 HydrophobicContact CB-CD2 4.1Å; P260-L336 HydrophobicContact CG-CD2 3.89Å; P260-L336 VanDerWaalsContact O-CD2 3.22Å; P260-L336 WeakPolarHBondContact O-CD2 3.32Å; M261-L336 HydrophobicContact CB-CD2 4.38Å; M261-L336 HydrophobicContact CG-CD1 4.09Å; M261-L336 HydrophobicContact CG-CD2 3.83Å; M261-L336 HydrophobicContact SD-CD2 4.48Å; L336-S338 PolarHBondContact O-N 3.34Å; L336-Y339 PolarHBondContact O-N 3.42Å; L336-L340 HydrophobicContact CB-CD1 4.43Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.37Å; L336-L548 HydrophobicContact CD1-CD2 3.78Å
337	G	91.9	Very high	94.3	Very high	51 Å²	51	42.7 Å²	42.7	53%	0.526	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-41.8	-168.8	0	0	0	0	0	114.5	Q335 L340 A341	Q335-G337 PolarHBondContact O-N 3.28Å; G337-L340 PolarHBondContact O-N 2.75Å; G337-A341 PolarHBondContact O-N 2.84Å; G337-A341 VanDerWaalsContact O-N 3.14Å
338	S	90.9	Very high	94.2	Very high	60 Å²	60	43.2 Å²	43.2	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-42.2	179.2	57.1	0	0	0	0	112.1	L336 A341 T342	L336-S338 PolarHBondContact O-N 3.34Å; S338-A341 PolarHBondContact O-N 2.97Å; S338-T342 WeakPolarHBondContact O-CB 3.43Å; S338-T342 WeakPolarHBondContact O-CG2 3.33Å; S338-T342 PolarHBondContact O-N 3.24Å; S338-T342 PolarHBondContact O-OG1 3.4Å
339	Y	93.5	Very high	94.1	Very high	34 Å²	34	47.9 Å²	47.9	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-36.8	177.5	-62.1	-77.3	0	0	0	112	F259 P260 R334 L336 T343 Y344	F259-Y339 HydrophobicContact CE1-CE1 4.18Å; F259-Y339 HydrophobicContact CE2-CE1 4.26Å; F259-Y339 HydrophobicContact CZ-CD1 4.2Å; F259-Y339 AromaticContact CZ-CE1 3.45Å; F259-Y339 HydrophobicContact CZ-CE1 3.45Å; F259-Y339 VanDerWaalsContact CZ-CE1 3.45Å; F259-Y339 AromaticContact CZ-CZ 3.68Å; P260-Y339 HydrophobicContact CB-CD1 4.19Å; P260-Y339 HydrophobicContact CB-CD2 3.66Å; P260-Y339 HydrophobicContact CB-CE1 4.44Å; P260-Y339 HydrophobicContact CB-CE2 3.92Å; P260-Y339 HydrophobicContact CB-CG 3.78Å; P260-Y339 HydrophobicContact CG-CD1 4.45Å; P260-Y339 HydrophobicContact CG-CD2 4.2Å; P260-Y339 HydrophobicContact CG-CG 3.94Å; R334-Y339 VanDerWaalsContact CD-CE2 3.47Å; R334-Y339 HydrophobicContact CG-CE2 3.94Å; L336-Y339 PolarHBondContact O-N 3.42Å; Y339-T343 WeakPolarHBondContact O-CA 3.23Å; Y339-T343 WeakPolarHBondContact O-CB 3.21Å; Y339-T343 PolarHBondContact O-N 2.77Å; Y339-Y344 WeakPolarHBondContact O-CD2 3.3Å; Y339-Y344 PolarHBondContact O-N 3.12Å; Y339-Y344 VanDerWaalsContact O-N 3.12Å
340	L	94.4	Very high	94.1	Very high	60 Å²	60	48.2 Å²	48.2	31%	0.314	28%	0.275	S	S	.	.	I	π-helix	trans	-58.3	-50.9	173	-73.8	173.1	0	0	0	111.1	L336 G337 Y344 I345 W544	L336-L340 HydrophobicContact CB-CD1 4.43Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.37Å; G337-L340 PolarHBondContact O-N 2.75Å; L340-Y344 HydrophobicContact CD2-CD2 4.05Å; L340-Y344 HydrophobicContact CD2-CG 4.21Å; L340-Y344 PolarHBondContact O-N 2.72Å; L340-I345 WeakPolarHBondContact O-CB 3.35Å; L340-I345 VanDerWaalsContact O-CG1 3.3Å; L340-I345 WeakPolarHBondContact O-CG1 3.47Å; L340-I345 PolarHBondContact O-N 3.49Å; L340-W544 HydrophobicContact CD2-CH2 3.34Å; L340-W544 HydrophobicContact CD2-CZ2 3.8Å; L340-W544 HydrophobicContact CD2-CZ3 4.21Å
341	A	94.5	Very high	94.1	Very high	60 Å²	60	48.1 Å²	48.1	50%	0.496	27%	0.274	S	S	.	.	I	π-helix	trans	-68.8	-37.7	-177.1	0	0	0	0	0	113.9	G337 S338 P346	G337-A341 PolarHBondContact O-N 2.84Å; G337-A341 VanDerWaalsContact O-N 3.14Å; S338-A341 PolarHBondContact O-N 2.97Å; A341-P346 VanDerWaalsContact O-CD 3.31Å; A341-P346 WeakPolarHBondContact O-CD 3.35Å; A341-P346 WeakPolarHBondContact O-CG 3.25Å
342	T	92.2	Very high	94.1	Very high	90 Å²	90	48.1 Å²	48.1	55%	0.552	28%	0.276	S	S	*	.	I	π-helix	trans	-95.3	-24.6	-171.3	57.1	0	0	0	0	114.3	S338	S338-T342 WeakPolarHBondContact O-CB 3.43Å; S338-T342 WeakPolarHBondContact O-CG2 3.33Å; S338-T342 PolarHBondContact O-N 3.24Å; S338-T342 PolarHBondContact O-OG1 3.4Å
343	T	94.5	Very high	94.1	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.08	30%	0.295	C	S	.	.	I	π-helix	trans	-123.7	-57.8	-173.8	-53.7	0	0	0	0	111.9	Y339 N347 Q382 V386 I399	Y339-T343 WeakPolarHBondContact O-CA 3.23Å; Y339-T343 WeakPolarHBondContact O-CB 3.21Å; Y339-T343 PolarHBondContact O-N 2.77Å; T343-N347 VanDerWaalsContact O-CB 3.28Å; T343-N347 WeakPolarHBondContact O-CB 3.39Å; T343-N347 PolarHBondContact O-N 2.97Å; T343-N347 VanDerWaalsContact O-N 3.1Å; T343-N347 PolarHBondContact O-ND2 3.18Å; T343-Q382 PolarHBondContact O-OE1 3.4Å; T343-V386 HydrophobicContact CG2-CG2 3.68Å; T343-I399 HydrophobicContact CG2-CD1 4.1Å
344	Y	95.8	Very high	94.2	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.02	28%	0.275	C	S	.	.	I	π-helix	trans	-67.3	-51	-173.5	-71.8	-84.4	0	0	0	112.6	P260 M261 Y339 L340 N347 V348 I399 W402 Y543 W544	P260-Y344 WeakPolarHBondContact CD-OH 3.48Å; P260-Y344 HydrophobicContact CG-CE2 4.04Å; M261-Y344 HydrophobicContact CE-CE2 4.39Å; M261-Y344 WeakPolarHBondContact CE-OH 3.18Å; Y339-Y344 WeakPolarHBondContact O-CD2 3.3Å; Y339-Y344 PolarHBondContact O-N 3.12Å; Y339-Y344 VanDerWaalsContact O-N 3.12Å; L340-Y344 HydrophobicContact CD2-CD2 4.05Å; L340-Y344 HydrophobicContact CD2-CG 4.21Å; L340-Y344 PolarHBondContact O-N 2.72Å; Y344-N347 PolarHBondContact O-N 3.4Å; Y344-V348 WeakPolarHBondContact O-CG2 3.44Å; Y344-V348 PolarHBondContact O-N 2.99Å; Y344-I399 HydrophobicContact CE1-CD1 4.2Å; Y344-I399 HydrophobicContact CE2-CD1 4.03Å; Y344-W402 AromaticContact CD1-CD2 3.57Å; Y344-W402 HydrophobicContact CD1-CD2 3.57Å; Y344-W402 AromaticContact CD1-CE2 3.46Å; Y344-W402 VanDerWaalsContact CD1-CE2 3.46Å; Y344-W402 AromaticContact CD1-CE3 3.94Å; Y344-W402 HydrophobicContact CD1-CE3 3.94Å; Y344-W402 HydrophobicContact CD1-CG 4.04Å; Y344-W402 HydrophobicContact CD1-CH2 4.07Å; Y344-W402 AromaticContact CD1-CZ2 3.75Å; Y344-W402 HydrophobicContact CD1-CZ2 3.75Å; Y344-W402 HydrophobicContact CD1-CZ3 4.17Å; Y344-W402 AromaticContact CD1-NE1 3.85Å; Y344-W402 HydrophobicContact CE1-CB 4.2Å; Y344-W402 AromaticContact CE1-CD2 3.5Å; Y344-W402 HydrophobicContact CE1-CD2 3.5Å; Y344-W402 VanDerWaalsContact CE1-CD2 3.5Å; Y344-W402 AromaticContact CE1-CE2 3.91Å; Y344-W402 AromaticContact CE1-CE3 3.8Å; Y344-W402 HydrophobicContact CE1-CE3 3.8Å; Y344-W402 AromaticContact CE1-CG 3.65Å; Y344-W402 HydrophobicContact CE1-CG 3.65Å; Y344-W402 HydrophobicContact CE1-CZ3 4.4Å; Y344-Y543 AromaticContact CE1-CE1 3.64Å; Y344-Y543 HydrophobicContact CE1-CE1 3.64Å; Y344-Y543 AromaticContact CE1-CZ 3.98Å; Y344-Y543 PolarHBondContact OH-OH 3.44Å; Y344-W544 AromaticContact CD1-CH2 4Å; Y344-W544 HydrophobicContact CD1-CH2 4Å; Y344-W544 AromaticContact CD1-CZ2 3.59Å; Y344-W544 HydrophobicContact CD1-CZ2 3.59Å; Y344-W544 HydrophobicContact CD2-CH2 4.13Å; Y344-W544 HydrophobicContact CD2-CZ2 4.44Å; Y344-W544 AromaticContact CE1-CH2 3.97Å; Y344-W544 HydrophobicContact CE1-CH2 3.97Å; Y344-W544 AromaticContact CE1-CZ2 3.85Å; Y344-W544 HydrophobicContact CE1-CZ2 3.85Å; Y344-W544 HydrophobicContact CE2-CH2 4.1Å; Y344-W544 HydrophobicContact CG-CH2 4.08Å; Y344-W544 AromaticContact CG-CZ2 3.93Å; Y344-W544 HydrophobicContact CG-CZ2 3.93Å
345	I	96	Very high	94.2	Very high	92 Å²	92	48 Å²	48	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-50.3	-178.5	-70.4	168.5	0	0	0	111.1	L340 N347 V348 L349	L340-I345 WeakPolarHBondContact O-CB 3.35Å; L340-I345 VanDerWaalsContact O-CG1 3.3Å; L340-I345 WeakPolarHBondContact O-CG1 3.47Å; L340-I345 PolarHBondContact O-N 3.49Å; I345-N347 VanDerWaalsContact C-N 3.33Å; I345-N347 PolarHBondContact O-N 3.29Å; I345-V348 PolarHBondContact O-N 2.98Å; I345-L349 HydrophobicContact CG2-CD1 4.01Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 WeakPolarHBondContact O-CG 3.37Å; I345-L349 PolarHBondContact O-N 3.22Å
346	P	96.1	Very high	94.2	Very high	39 Å²	39	47.6 Å²	47.6	25%	0.253	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-40.1	176.4	-27.5	37.5	0	0	0	113.4	A341 L349 I350	A341-P346 VanDerWaalsContact O-CD 3.31Å; A341-P346 WeakPolarHBondContact O-CD 3.35Å; A341-P346 WeakPolarHBondContact O-CG 3.25Å; P346-L349 PolarHBondContact O-N 2.84Å; P346-I350 VanDerWaalsContact O-CG1 3.3Å; P346-I350 WeakPolarHBondContact O-CG1 3.37Å; P346-I350 PolarHBondContact O-N 2.69Å
347	N	96.4	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-45.7	175	-78.1	-35.9	0	0	0	112.4	T343 Y344 I345 L349 I350 I351 I379 Q382 W402 M403	T343-N347 VanDerWaalsContact O-CB 3.28Å; T343-N347 WeakPolarHBondContact O-CB 3.39Å; T343-N347 PolarHBondContact O-N 2.97Å; T343-N347 VanDerWaalsContact O-N 3.1Å; T343-N347 PolarHBondContact O-ND2 3.18Å; Y344-N347 PolarHBondContact O-N 3.4Å; I345-N347 VanDerWaalsContact C-N 3.33Å; I345-N347 PolarHBondContact O-N 3.29Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.83Å; N347-I350 PolarHBondContact O-N 2.89Å; N347-I351 VanDerWaalsContact O-CG1 3.28Å; N347-I351 WeakPolarHBondContact O-CG1 3.41Å; N347-I351 PolarHBondContact O-N 3.47Å; N347-I379 HydrophobicContact CB-CD1 4.13Å; N347-I379 VanDerWaalsContact OD1-CD1 3.23Å; N347-I379 WeakPolarHBondContact OD1-CD1 3.31Å; N347-Q382 PolarHBondContact OD1-NE2 3.17Å; N347-Q382 PolarHBondContact OD1-OE1 3.39Å; N347-W402 PolarHBondContact ND2-NE1 2.94Å; N347-M403 PolarHBondContact ND2-SD 2.92Å
348	V	96	Very high	94.1	Very high	32 Å²	32	43.2 Å²	43.2	19%	0.194	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-45.2	175.5	170.2	0	0	0	0	110.8	Y344 I345 I351 M352 W402 F536	Y344-V348 WeakPolarHBondContact O-CG2 3.44Å; Y344-V348 PolarHBondContact O-N 2.99Å; I345-V348 PolarHBondContact O-N 2.98Å; V348-I351 PolarHBondContact O-N 3.04Å; V348-M352 HydrophobicContact CG1-CE 3.93Å; V348-M352 HydrophobicContact CG1-CG 4.49Å; V348-M352 HydrophobicContact CG1-SD 4.3Å; V348-M352 WeakPolarHBondContact O-CG 3.33Å; V348-M352 PolarHBondContact O-N 3.18Å; V348-W402 HydrophobicContact CG2-CH2 3.9Å; V348-W402 HydrophobicContact CG2-CZ2 3.82Å; V348-F536 HydrophobicContact CG1-CE1 4.15Å; V348-F536 HydrophobicContact CG2-CE1 4.19Å; V348-F536 HydrophobicContact CG2-CZ 4.05Å
349	L	95.6	Very high	94	Very high	98 Å²	98	48.5 Å²	48.5	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-42.1	179.3	-67.5	173.9	0	0	0	112.3	I345 P346 N347 I351 M352 V353	I345-L349 HydrophobicContact CG2-CD1 4.01Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 WeakPolarHBondContact O-CG 3.37Å; I345-L349 PolarHBondContact O-N 3.22Å; P346-L349 PolarHBondContact O-N 2.84Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.83Å; L349-I351 VanDerWaalsContact C-N 3.33Å; L349-I351 PolarHBondContact O-N 2.65Å; L349-M352 WeakPolarHBondContact O-CB 3.21Å; L349-M352 PolarHBondContact O-N 3.31Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.49Å
350	I	96.2	Very high	93.8	Very high	40 Å²	40	48.6 Å²	48.6	21%	0.205	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-40.9	176.2	-69.2	172.9	0	0	0	111	P346 N347 M352 V353 S354 S375 I379	P346-I350 VanDerWaalsContact O-CG1 3.3Å; P346-I350 WeakPolarHBondContact O-CG1 3.37Å; P346-I350 PolarHBondContact O-N 2.69Å; N347-I350 PolarHBondContact O-N 2.89Å; I350-M352 VanDerWaalsContact C-N 3.35Å; I350-V353 PolarHBondContact O-N 3.41Å; I350-S354 PolarHBondContact O-N 3.44Å; I350-S375 WeakPolarHBondContact CG2-O 3.46Å; I350-I379 HydrophobicContact CB-CD1 3.86Å; I350-I379 HydrophobicContact CB-CG1 4.5Å; I350-I379 HydrophobicContact CD1-CD1 4.29Å; I350-I379 HydrophobicContact CG2-CD1 3.69Å; I350-I379 HydrophobicContact CG2-CG1 3.77Å
351	I	95.7	Very high	93.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-41.7	175.6	-66.2	166.6	0	0	0	110.3	N347 V348 L349 V353 S354 W355 I379 V410 F536	N347-I351 VanDerWaalsContact O-CG1 3.28Å; N347-I351 WeakPolarHBondContact O-CG1 3.41Å; N347-I351 PolarHBondContact O-N 3.47Å; V348-I351 PolarHBondContact O-N 3.04Å; L349-I351 VanDerWaalsContact C-N 3.33Å; L349-I351 PolarHBondContact O-N 2.65Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 2.96Å; I351-S354 WeakPolarHBondContact O-CB 3.23Å; I351-S354 PolarHBondContact O-N 2.9Å; I351-S354 VanDerWaalsContact O-N 3.1Å; I351-S354 PolarHBondContact O-OG 3.49Å; I351-W355 HydrophobicContact CG2-CZ2 3.73Å; I351-W355 PolarHBondContact O-N 2.96Å; I351-I379 HydrophobicContact CG1-CD1 4.31Å; I351-V410 HydrophobicContact CG1-CG2 4.25Å; I351-F536 HydrophobicContact CB-CZ 4.42Å; I351-F536 HydrophobicContact CD1-CD2 4.36Å; I351-F536 HydrophobicContact CD1-CE2 3.43Å; I351-F536 VanDerWaalsContact CD1-CE2 3.43Å; I351-F536 HydrophobicContact CD1-CZ 3.63Å; I351-F536 HydrophobicContact CG2-CD2 4.15Å; I351-F536 HydrophobicContact CG2-CE1 4.47Å; I351-F536 HydrophobicContact CG2-CE2 4.09Å; I351-F536 HydrophobicContact CG2-CG 4.38Å; I351-F536 HydrophobicContact CG2-CZ 4.24Å
352	M	94.2	Very high	93.1	Very high	88 Å²	88	46.4 Å²	46.4	43%	0.433	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-39.8	174	-72.8	-176.2	172.1	0	0	112.6	V348 L349 I350 S354 W355	V348-M352 HydrophobicContact CG1-CE 3.93Å; V348-M352 HydrophobicContact CG1-CG 4.49Å; V348-M352 HydrophobicContact CG1-SD 4.3Å; V348-M352 WeakPolarHBondContact O-CG 3.33Å; V348-M352 PolarHBondContact O-N 3.18Å; L349-M352 WeakPolarHBondContact O-CB 3.21Å; L349-M352 PolarHBondContact O-N 3.31Å; I350-M352 VanDerWaalsContact C-N 3.35Å; M352-S354 VanDerWaalsContact C-N 3.27Å; M352-S354 PolarHBondContact O-N 3.01Å; M352-W355 HydrophobicContact CB-CE3 4.33Å; M352-W355 HydrophobicContact CB-CZ3 4.5Å; M352-W355 HydrophobicContact CE-CZ3 4.42Å; M352-W355 HydrophobicContact CG-CE3 4.03Å; M352-W355 HydrophobicContact CG-CH2 4.23Å; M352-W355 HydrophobicContact CG-CZ3 3.72Å; M352-W355 WeakPolarHBondContact O-CB 3.37Å; M352-W355 PolarHBondContact O-N 3.27Å; M352-W355 VanDerWaalsContact O-N 3.16Å
353	V	94	Very high	92.6	Very high	68 Å²	68	45.8 Å²	45.8	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-37.2	173.8	169.8	0	0	0	0	111	L349 I350 I351 W355 L356	L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.49Å; I350-V353 PolarHBondContact O-N 3.41Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 2.96Å; V353-W355 PolarHBondContact O-N 2.74Å; V353-L356 VanDerWaalsContact O-CB 3.28Å; V353-L356 WeakPolarHBondContact O-CB 3.32Å; V353-L356 PolarHBondContact O-N 3.19Å; V353-L356 VanDerWaalsContact O-N 3.08Å
354	S	94.4	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-34.3	175.9	80.7	0	0	0	0	112.1	I350 I351 M352 L356 S357	I350-S354 PolarHBondContact O-N 3.44Å; I351-S354 WeakPolarHBondContact O-CB 3.23Å; I351-S354 PolarHBondContact O-N 2.9Å; I351-S354 VanDerWaalsContact O-N 3.1Å; I351-S354 PolarHBondContact O-OG 3.49Å; M352-S354 VanDerWaalsContact C-N 3.27Å; M352-S354 PolarHBondContact O-N 3.01Å; S354-L356 PolarHBondContact O-N 2.94Å; S354-S357 WeakPolarHBondContact O-CB 3.2Å; S354-S357 PolarHBondContact O-N 3.37Å; S354-S357 PolarHBondContact O-OG 2.73Å
355	W	93	Very high	91.9	Very high	30 Å²	30	48.9 Å²	48.9	11%	0.114	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-17	177.4	-54.5	-22.3	0	0	0	114.2	I351 M352 V353 S357 F358 P533 F536	I351-W355 HydrophobicContact CG2-CZ2 3.73Å; I351-W355 PolarHBondContact O-N 2.96Å; M352-W355 HydrophobicContact CB-CE3 4.33Å; M352-W355 HydrophobicContact CB-CZ3 4.5Å; M352-W355 HydrophobicContact CE-CZ3 4.42Å; M352-W355 HydrophobicContact CG-CE3 4.03Å; M352-W355 HydrophobicContact CG-CH2 4.23Å; M352-W355 HydrophobicContact CG-CZ3 3.72Å; M352-W355 WeakPolarHBondContact O-CB 3.37Å; M352-W355 PolarHBondContact O-N 3.27Å; M352-W355 VanDerWaalsContact O-N 3.16Å; V353-W355 PolarHBondContact O-N 2.74Å; W355-S357 PolarHBondContact O-N 2.98Å; W355-F358 HydrophobicContact CB-CD2 4.02Å; W355-F358 HydrophobicContact CB-CE2 3.96Å; W355-F358 AromaticContact CD1-CE2 3.93Å; W355-F358 HydrophobicContact CG-CE2 4.16Å; W355-F358 WeakPolarHBondContact O-CD2 3.43Å; W355-F358 WeakPolarHBondContact O-CG 3.5Å; W355-F358 PolarHBondContact O-N 3.33Å; W355-F358 VanDerWaalsContact O-N 3.16Å; W355-P533 HydrophobicContact CD2-CG 3.92Å; W355-P533 HydrophobicContact CE3-CB 4.09Å; W355-P533 HydrophobicContact CE3-CG 3.7Å; W355-P533 HydrophobicContact CH2-CB 3.92Å; W355-P533 HydrophobicContact CH2-CG 4.32Å; W355-P533 HydrophobicContact CZ2-CB 4.41Å; W355-P533 HydrophobicContact CZ3-CB 3.74Å; W355-P533 HydrophobicContact CZ3-CG 3.91Å; W355-F536 HydrophobicContact CH2-CB 3.99Å; W355-F536 AromaticContact CH2-CD1 3.63Å; W355-F536 HydrophobicContact CH2-CD1 3.63Å; W355-F536 HydrophobicContact CH2-CE1 4.47Å; W355-F536 HydrophobicContact CH2-CG 4.08Å; W355-F536 HydrophobicContact CZ2-CB 3.54Å; W355-F536 AromaticContact CZ2-CD1 3.69Å; W355-F536 HydrophobicContact CZ2-CD1 3.69Å; W355-F536 AromaticContact CZ2-CG 3.71Å; W355-F536 HydrophobicContact CZ2-CG 3.71Å
356	L	91.8	Very high	91.6	Very high	95 Å²	95	49.8 Å²	49.8	50%	0.497	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19.2	173.7	-60.1	178.2	0	0	0	111.5	V353 S354 F358 W359	V353-L356 VanDerWaalsContact O-CB 3.28Å; V353-L356 WeakPolarHBondContact O-CB 3.32Å; V353-L356 PolarHBondContact O-N 3.19Å; V353-L356 VanDerWaalsContact O-N 3.08Å; S354-L356 PolarHBondContact O-N 2.94Å; L356-F358 PolarHBondContact O-N 2.82Å; L356-W359 PolarHBondContact O-N 2.71Å; L356-W359 VanDerWaalsContact O-N 3.11Å
357	S	90.3	Very high	91.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.021	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.1	173.8	68.9	0	0	0	0	113	S354 W355 W359 V360 R368 V413	S354-S357 WeakPolarHBondContact O-CB 3.2Å; S354-S357 PolarHBondContact O-N 3.37Å; S354-S357 PolarHBondContact O-OG 2.73Å; W355-S357 PolarHBondContact O-N 2.98Å; S357-W359 PolarHBondContact O-N 3.11Å; S357-V360 PolarHBondContact O-N 3.42Å; S357-R368 PolarHBondContact O-NE 3.42Å; S357-R368 VanDerWaalsContact O-NE 3.14Å; S357-V413 WeakPolarHBondContact OG-CG1 3.45Å
358	F	91	Very high	91.2	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-72.7	-14.7	-179.9	-49.8	-43	0	0	0	113.6	W355 L356 V413 E416 R529 F532	W355-F358 HydrophobicContact CB-CD2 4.02Å; W355-F358 HydrophobicContact CB-CE2 3.96Å; W355-F358 AromaticContact CD1-CE2 3.93Å; W355-F358 HydrophobicContact CG-CE2 4.16Å; W355-F358 WeakPolarHBondContact O-CD2 3.43Å; W355-F358 WeakPolarHBondContact O-CG 3.5Å; W355-F358 PolarHBondContact O-N 3.33Å; W355-F358 VanDerWaalsContact O-N 3.16Å; L356-F358 PolarHBondContact O-N 2.82Å; F358-V413 HydrophobicContact CE1-CG1 3.93Å; F358-V413 HydrophobicContact CE1-CG2 4.44Å; F358-V413 HydrophobicContact CZ-CB 4.41Å; F358-V413 HydrophobicContact CZ-CG1 4.12Å; F358-V413 HydrophobicContact CZ-CG2 3.84Å; F358-E416 HydrophobicContact CE1-CB 4.46Å; F358-E416 HydrophobicContact CE1-CG 4.09Å; F358-E416 WeakPolarHBondContact CE1-OE2 3.41Å; F358-R529 HydrophobicContact CB-CG 3.91Å; F358-R529 PolarHBondContact O-NE 2.88Å; F358-R529 PolarHBondContact O-NH2 3.45Å; F358-F532 HydrophobicContact CE1-CD2 4.43Å; F358-F532 HydrophobicContact CE1-CE2 4.48Å; F358-F532 HydrophobicContact CE2-CB 3.84Å; F358-F532 HydrophobicContact CE2-CD2 4.09Å; F358-F532 HydrophobicContact CE2-CG 4Å; F358-F532 HydrophobicContact CZ-CB 4.07Å; F358-F532 HydrophobicContact CZ-CD1 4.18Å; F358-F532 AromaticContact CZ-CD2 3.59Å; F358-F532 HydrophobicContact CZ-CD2 3.59Å; F358-F532 AromaticContact CZ-CE2 3.99Å; F358-F532 HydrophobicContact CZ-CE2 3.99Å; F358-F532 AromaticContact CZ-CG 3.7Å; F358-F532 HydrophobicContact CZ-CG 3.7Å; F358-F532 HydrophobicContact CZ-CZ 4.43Å
359	W	89.3	Confident	91	Very high	171 Å²	171	51 Å²	51	65%	0.648	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-97.5	-16.3	178.6	-65.3	87.7	0	0	0	112.5	L356 S357 R529	L356-W359 PolarHBondContact O-N 2.71Å; L356-W359 VanDerWaalsContact O-N 3.11Å; S357-W359 PolarHBondContact O-N 3.11Å; W359-R529 HydrophobicContact CZ2-CG 4.44Å
360	V	89.3	Confident	90.9	Very high	36 Å²	36	49.1 Å²	49.1	22%	0.218	27%	0.274	C	S	.	.	S	Bend	trans	-82	138.3	174.9	175.4	0	0	0	0	108.3	S357 A367 R368 L371	S357-V360 PolarHBondContact O-N 3.42Å; V360-A367 HydrophobicContact CG1-CB 3.66Å; V360-R368 HydrophobicContact CB-CG 3.98Å; V360-R368 HydrophobicContact CG1-CG 3.78Å; V360-R368 PolarHBondContact O-NE 3.44Å; V360-R368 PolarHBondContact O-NH2 3.34Å; V360-L371 HydrophobicContact CG2-CD1 4.22Å
361	N	86.5	Confident	90.8	Very high	72 Å²	72	50 Å²	50	39%	0.385	28%	0.279	S	S	.	.			trans	-58.2	144	177.7	-64.5	-27.1	0	0	0	112.8	D363 S364 R368	N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.44Å; N361-S364 WeakPolarHBondContact O-CB 3.4Å; N361-S364 PolarHBondContact O-N 3.45Å; N361-R368 PolarHBondContact O-NE 2.81Å
362	V	86.1	Confident	90.7	Very high	2 Å²	2	50 Å²	50	1%	0.012	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.6	-176.9	57.2	0	0	0	0	113.1	S364 R368 A420 L424	V362-S364 PolarHBondContact O-N 3.12Å; V362-R368 VanDerWaalsContact CA-CZ 3.49Å; V362-A420 HydrophobicContact CG2-CB 4.07Å; V362-L424 HydrophobicContact CB-CD2 4.26Å; V362-L424 HydrophobicContact CG1-CD1 4.23Å; V362-L424 HydrophobicContact CG1-CD2 3.45Å; V362-L424 VanDerWaalsContact CG1-CD2 3.45Å; V362-L424 HydrophobicContact CG1-CG 4.3Å; V362-L424 HydrophobicContact CG2-CD2 3.97Å
363	D	83	Confident	90.8	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.2	174.4	-61.8	-65.9	0	0	0	112.8	N361 A365 L424 Q428	N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.44Å; D363-A365 PolarHBondContact O-N 2.97Å; D363-L424 WeakPolarHBondContact OD1-CD2 3.41Å; D363-Q428 PolarHBondContact OD1-NE2 3.13Å
364	S	88.3	Confident	90.9	Very high	48 Å²	48	52.7 Å²	52.7	34%	0.336	29%	0.291	S	S	.	.			trans	-82.3	56.6	178.6	-61.3	0	0	0	0	111.5	N361 V362 P366 A367 R368	N361-S364 WeakPolarHBondContact O-CB 3.4Å; N361-S364 PolarHBondContact O-N 3.45Å; V362-S364 PolarHBondContact O-N 3.12Å; S364-P366 VanDerWaalsContact C-N 3.3Å; S364-A367 WeakPolarHBondContact O-CB 3.35Å; S364-A367 PolarHBondContact O-N 3.14Å; S364-R368 PolarHBondContact O-N 2.69Å; S364-R368 VanDerWaalsContact O-N 3.11Å
365	A	87.4	Confident	90.9	Very high	35 Å²	35	53 Å²	53	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-44.4	-44.5	171.4	0	0	0	0	0	114.6	D363 A367 R368 V369 Y417	D363-A365 PolarHBondContact O-N 2.97Å; A365-A367 PolarHBondContact O-N 3.21Å; A365-R368 PolarHBondContact O-N 3.29Å; A365-V369 WeakPolarHBondContact O-CG2 3.35Å; A365-V369 PolarHBondContact O-N 2.74Å; A365-Y417 VanDerWaalsContact CA-OH 3.24Å; A365-Y417 WeakPolarHBondContact CA-OH 3.37Å; A365-Y417 WeakPolarHBondContact CB-OH 3.38Å
366	P	89.9	Confident	91.1	Very high	111 Å²	111	53 Å²	53	72%	0.721	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-15.1	178.9	26.4	-36.6	0	0	0	114.3	S364 P370	S364-P366 VanDerWaalsContact C-N 3.3Å; P366-P370 WeakPolarHBondContact O-CD 3.38Å; P366-P370 VanDerWaalsContact O-CG 3.25Å; P366-P370 WeakPolarHBondContact O-CG 3.48Å
367	A	90.8	Very high	91.4	Very high	41 Å²	41	53.4 Å²	53.4	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-92.9	-42.9	173	0	0	0	0	0	111.6	V360 S364 A365 L371	V360-A367 HydrophobicContact CG1-CB 3.66Å; S364-A367 WeakPolarHBondContact O-CB 3.35Å; S364-A367 PolarHBondContact O-N 3.14Å; A365-A367 PolarHBondContact O-N 3.21Å; A367-L371 WeakPolarHBondContact O-CD1 3.24Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.26Å
368	R	91.3	Very high	91.7	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-46.3	-177	-72.8	-167.5	175.7	-161.9	10.5	113.7	S357 V360 N361 V362 S364 A365 L371 G372 Y417 D525	S357-R368 PolarHBondContact O-NE 3.42Å; S357-R368 VanDerWaalsContact O-NE 3.14Å; V360-R368 HydrophobicContact CB-CG 3.98Å; V360-R368 HydrophobicContact CG1-CG 3.78Å; V360-R368 PolarHBondContact O-NE 3.44Å; V360-R368 PolarHBondContact O-NH2 3.34Å; N361-R368 PolarHBondContact O-NE 2.81Å; V362-R368 VanDerWaalsContact CA-CZ 3.49Å; S364-R368 PolarHBondContact O-N 2.69Å; S364-R368 VanDerWaalsContact O-N 3.11Å; A365-R368 PolarHBondContact O-N 3.29Å; R368-L371 PolarHBondContact O-N 3.36Å; R368-G372 PolarHBondContact O-N 3.18Å; R368-G372 VanDerWaalsContact O-N 3.16Å; R368-Y417 HydrophobicContact CB-CD2 3.93Å; R368-Y417 HydrophobicContact CB-CE2 3.79Å; R368-Y417 HydrophobicContact CB-CG 4.4Å; R368-Y417 VanDerWaalsContact CD-CE2 3.44Å; R368-Y417 HydrophobicContact CG-CD2 4.26Å; R368-Y417 HydrophobicContact CG-CE2 4.22Å; R368-D525 IonicContact CZ-OD1 3.38Å; R368-D525 IonicContact CZ-OD2 3.61Å; R368-D525 IonicContact NH1-OD1 2.84Å; R368-D525 PolarHBondContact NH1-OD1 2.99Å; R368-D525 IonicContact NH1-OD2 3.62Å; R368-D525 IonicContact NH2-OD1 3.08Å; R368-D525 PolarHBondContact NH2-OD1 3.15Å; R368-D525 VanDerWaalsContact NH2-OD1 3.08Å; R368-D525 IonicContact NH2-OD2 2.65Å; R368-D525 PolarHBondContact NH2-OD2 2.91Å
369	V	92.8	Very high	92	Very high	52 Å²	52	54.2 Å²	54.2	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-49.2	-174.4	174.1	0	0	0	0	111.9	A365 L371 G372 L373 Y417	A365-V369 WeakPolarHBondContact O-CG2 3.35Å; A365-V369 PolarHBondContact O-N 2.74Å; V369-L371 PolarHBondContact O-N 2.93Å; V369-G372 PolarHBondContact O-N 3.35Å; V369-L373 HydrophobicContact CG1-CD1 3.6Å; V369-L373 HydrophobicContact CG1-CG 4.18Å; V369-L373 WeakPolarHBondContact O-CB 3.08Å; V369-L373 WeakPolarHBondContact O-CG 3.39Å; V369-L373 PolarHBondContact O-N 3.43Å; V369-Y417 HydrophobicContact CG2-CD1 4.23Å; V369-Y417 HydrophobicContact CG2-CE1 3.33Å
370	P	94.2	Very high	92.4	Very high	57 Å²	57	49.4 Å²	49.4	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-37.6	178.9	-24.4	37.7	0	0	0	113.3	P366 G372 L373 L374	P366-P370 WeakPolarHBondContact O-CD 3.38Å; P366-P370 VanDerWaalsContact O-CG 3.25Å; P366-P370 WeakPolarHBondContact O-CG 3.48Å; P370-G372 VanDerWaalsContact C-N 3.34Å; P370-G372 PolarHBondContact O-N 3.5Å; P370-L373 PolarHBondContact O-N 3.29Å; P370-L374 WeakPolarHBondContact O-CB 3.14Å; P370-L374 WeakPolarHBondContact O-CG 3.14Å; P370-L374 PolarHBondContact O-N 3.41Å
371	L	93.3	Very high	92.7	Very high	59 Å²	59	51.5 Å²	51.5	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.9	-75	172.3	0	0	0	111.8	V360 A367 R368 V369 S375	V360-L371 HydrophobicContact CG2-CD1 4.22Å; A367-L371 WeakPolarHBondContact O-CD1 3.24Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.26Å; R368-L371 PolarHBondContact O-N 3.36Å; V369-L371 PolarHBondContact O-N 2.93Å; L371-S375 WeakPolarHBondContact O-CB 3.48Å; L371-S375 PolarHBondContact O-N 3.03Å; L371-S375 PolarHBondContact O-OG 3.39Å
372	G	93.2	Very high	93.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-41.3	176.8	0	0	0	0	0	113.5	R368 V369 P370 S375 L376	R368-G372 PolarHBondContact O-N 3.18Å; R368-G372 VanDerWaalsContact O-N 3.16Å; V369-G372 PolarHBondContact O-N 3.35Å; P370-G372 VanDerWaalsContact C-N 3.34Å; P370-G372 PolarHBondContact O-N 3.5Å; G372-S375 WeakPolarHBondContact CA-OG 3.45Å; G372-S375 PolarHBondContact O-OG 2.9Å; G372-L376 WeakPolarHBondContact O-CB 3.45Å; G372-L376 PolarHBondContact O-N 2.95Å; G372-L376 VanDerWaalsContact O-N 3.07Å
373	L	95.8	Very high	93.6	Very high	95 Å²	95	50.2 Å²	50.2	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-70.6	-39.9	179.5	-70.1	177.6	0	0	0	112.8	V369 P370 L376 L377 L414	V369-L373 HydrophobicContact CG1-CD1 3.6Å; V369-L373 HydrophobicContact CG1-CG 4.18Å; V369-L373 WeakPolarHBondContact O-CB 3.08Å; V369-L373 WeakPolarHBondContact O-CG 3.39Å; V369-L373 PolarHBondContact O-N 3.43Å; P370-L373 PolarHBondContact O-N 3.29Å; L373-L376 PolarHBondContact O-N 2.86Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.49Å; L373-L414 HydrophobicContact CD2-CD1 4.32Å
374	L	96.7	Very high	94.1	Very high	116 Å²	116	52.3 Å²	52.3	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-69.1	-38.5	178.3	-71.8	172.5	0	0	0	111.7	P370 L377 G378	P370-L374 WeakPolarHBondContact O-CB 3.14Å; P370-L374 WeakPolarHBondContact O-CG 3.14Å; P370-L374 PolarHBondContact O-N 3.41Å; L374-L377 PolarHBondContact O-N 3.19Å; L374-G378 PolarHBondContact O-N 3.46Å
375	S	95.9	Very high	94.4	Very high	7 Å²	7	53.3 Å²	53.3	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-41.4	173.2	51.2	0	0	0	0	111.4	I350 L371 G372 G378 I379	I350-S375 WeakPolarHBondContact CG2-O 3.46Å; L371-S375 WeakPolarHBondContact O-CB 3.48Å; L371-S375 PolarHBondContact O-N 3.03Å; L371-S375 PolarHBondContact O-OG 3.39Å; G372-S375 WeakPolarHBondContact CA-OG 3.45Å; G372-S375 PolarHBondContact O-OG 2.9Å; S375-G378 PolarHBondContact O-N 2.95Å; S375-I379 WeakPolarHBondContact O-CG1 3.49Å; S375-I379 PolarHBondContact O-N 3.25Å
376	L	97.1	Very high	94.7	Very high	30 Å²	30	52.3 Å²	52.3	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.4	-179.9	59.1	0	0	0	111.6	G372 L373 G378 I379 L380 I407 V410 I411 L414	G372-L376 WeakPolarHBondContact O-CB 3.45Å; G372-L376 PolarHBondContact O-N 2.95Å; G372-L376 VanDerWaalsContact O-N 3.07Å; L373-L376 PolarHBondContact O-N 2.86Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 3.41Å; L376-I379 PolarHBondContact O-N 3.35Å; L376-L380 HydrophobicContact CD1-CD1 4.14Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L376-L380 HydrophobicContact CG-CD1 3.97Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.35Å; L376-L380 PolarHBondContact O-N 3.1Å; L376-I407 HydrophobicContact CD1-CG2 4.13Å; L376-V410 HydrophobicContact CB-CG1 3.79Å; L376-V410 HydrophobicContact CD1-CG1 4.37Å; L376-I411 HydrophobicContact CD1-CG1 4.05Å; L376-I411 HydrophobicContact CD2-CG1 4.43Å; L376-L414 HydrophobicContact CD2-CD1 3.99Å
377	L	97.7	Very high	94.8	Very high	103 Å²	103	50 Å²	50	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-39.9	176	-179	61.1	0	0	0	111.5	L373 L374 L380 T381	L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.49Å; L374-L377 PolarHBondContact O-N 3.19Å; L377-L380 PolarHBondContact O-N 3.42Å; L377-T381 VanDerWaalsContact O-CB 3.31Å; L377-T381 WeakPolarHBondContact O-CB 3.36Å; L377-T381 PolarHBondContact O-N 3.46Å; L377-T381 PolarHBondContact O-OG1 3.27Å
378	G	96.3	Very high	94.9	Very high	21 Å²	21	52.3 Å²	52.3	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-46.6	176.9	0	0	0	0	0	112.7	L374 S375 L376 T381 Q382	L374-G378 PolarHBondContact O-N 3.46Å; S375-G378 PolarHBondContact O-N 2.95Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 3.41Å; G378-T381 PolarHBondContact O-N 3.13Å; G378-Q382 PolarHBondContact O-N 3.41Å; G378-Q382 VanDerWaalsContact O-N 3.1Å
379	I	96.8	Very high	94.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-44.2	176.1	-62.1	-60	0	0	0	111.3	N347 I350 I351 S375 L376 T381 Q382 A383 M403 I407 V410	N347-I379 HydrophobicContact CB-CD1 4.13Å; N347-I379 VanDerWaalsContact OD1-CD1 3.23Å; N347-I379 WeakPolarHBondContact OD1-CD1 3.31Å; I350-I379 HydrophobicContact CB-CD1 3.86Å; I350-I379 HydrophobicContact CB-CG1 4.5Å; I350-I379 HydrophobicContact CD1-CD1 4.29Å; I350-I379 HydrophobicContact CG2-CD1 3.69Å; I350-I379 HydrophobicContact CG2-CG1 3.77Å; I351-I379 HydrophobicContact CG1-CD1 4.31Å; S375-I379 WeakPolarHBondContact O-CG1 3.49Å; S375-I379 PolarHBondContact O-N 3.25Å; L376-I379 PolarHBondContact O-N 3.35Å; I379-T381 VanDerWaalsContact C-N 3.31Å; I379-T381 PolarHBondContact O-N 3.46Å; I379-Q382 PolarHBondContact O-N 3Å; I379-A383 PolarHBondContact O-N 2.92Å; I379-M403 HydrophobicContact CG2-CE 4.1Å; I379-M403 WeakPolarHBondContact O-CE 3.5Å; I379-I407 HydrophobicContact CG2-CD1 4.48Å; I379-I407 HydrophobicContact CG2-CG1 3.58Å; I379-V410 HydrophobicContact CG1-CG2 4.17Å
380	L	96.9	Very high	94.8	Very high	71 Å²	71	54.7 Å²	54.7	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177.9	-75.2	170	0	0	0	111.9	L376 L377 A383 I384 I407	L376-L380 HydrophobicContact CD1-CD1 4.14Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L376-L380 HydrophobicContact CG-CD1 3.97Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.35Å; L376-L380 PolarHBondContact O-N 3.1Å; L377-L380 PolarHBondContact O-N 3.42Å; L380-A383 WeakPolarHBondContact O-CB 3.33Å; L380-A383 PolarHBondContact O-N 2.81Å; L380-I384 WeakPolarHBondContact O-CG1 3.48Å; L380-I384 PolarHBondContact O-N 3.38Å; L380-I407 HydrophobicContact CD2-CD1 3.78Å; L380-I407 HydrophobicContact CD2-CG1 4.31Å
381	T	96.5	Very high	94.6	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177	-57.7	0	0	0	0	111.1	L377 G378 I379 A383 I384 S385	L377-T381 VanDerWaalsContact O-CB 3.31Å; L377-T381 WeakPolarHBondContact O-CB 3.36Å; L377-T381 PolarHBondContact O-N 3.46Å; L377-T381 PolarHBondContact O-OG1 3.27Å; G378-T381 PolarHBondContact O-N 3.13Å; I379-T381 VanDerWaalsContact C-N 3.31Å; I379-T381 PolarHBondContact O-N 3.46Å; T381-A383 VanDerWaalsContact C-N 3.31Å; T381-A383 PolarHBondContact O-N 2.89Å; T381-I384 PolarHBondContact O-N 3.36Å; T381-S385 WeakPolarHBondContact O-CB 3.45Å; T381-S385 PolarHBondContact O-N 2.91Å
382	Q	95.2	Very high	94.5	Very high	31 Å²	31	62.2 Å²	62.2	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-38.3	173.4	-76.4	-166.3	74.5	0	0	112	T343 N347 G378 I379 I384 S385 V386 M403	T343-Q382 PolarHBondContact O-OE1 3.4Å; N347-Q382 PolarHBondContact OD1-NE2 3.17Å; N347-Q382 PolarHBondContact OD1-OE1 3.39Å; G378-Q382 PolarHBondContact O-N 3.41Å; G378-Q382 VanDerWaalsContact O-N 3.1Å; I379-Q382 PolarHBondContact O-N 3Å; Q382-I384 VanDerWaalsContact C-N 3.33Å; Q382-I384 PolarHBondContact O-N 3.49Å; Q382-S385 WeakPolarHBondContact O-CB 3.48Å; Q382-S385 PolarHBondContact O-N 3.46Å; Q382-V386 WeakPolarHBondContact O-CG2 3.23Å; Q382-V386 PolarHBondContact O-N 3.1Å; Q382-M403 HydrophobicContact CB-CE 3.74Å
383	A	95.7	Very high	94.4	Very high	15 Å²	15	64 Å²	64	12%	0.124	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-41.7	-179.9	0	0	0	0	0	111.4	I379 L380 T381 S387 M403	I379-A383 PolarHBondContact O-N 2.92Å; L380-A383 WeakPolarHBondContact O-CB 3.33Å; L380-A383 PolarHBondContact O-N 2.81Å; T381-A383 VanDerWaalsContact C-N 3.31Å; T381-A383 PolarHBondContact O-N 2.89Å; A383-S387 VanDerWaalsContact O-CB 3.29Å; A383-S387 WeakPolarHBondContact O-CB 3.28Å; A383-S387 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-OG 3Å; A383-M403 VanDerWaalsContact CA-CE 3.48Å; A383-M403 HydrophobicContact CB-CB 4.22Å; A383-M403 HydrophobicContact CB-CE 3.66Å; A383-M403 HydrophobicContact CB-CG 4.25Å; A383-M403 VanDerWaalsContact N-CE 3.26Å
384	I	95.1	Very high	94.2	Very high	121 Å²	121	65.7 Å²	65.7	62%	0.621	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-44	175.5	-65.4	165	0	0	0	110.3	L380 T381 Q382 V386 S387 S388	L380-I384 WeakPolarHBondContact O-CG1 3.48Å; L380-I384 PolarHBondContact O-N 3.38Å; T381-I384 PolarHBondContact O-N 3.36Å; Q382-I384 VanDerWaalsContact C-N 3.33Å; Q382-I384 PolarHBondContact O-N 3.49Å; I384-V386 PolarHBondContact O-N 2.92Å; I384-S387 PolarHBondContact O-N 3.31Å; I384-S388 PolarHBondContact O-N 3.31Å
385	S	94.3	Very high	94	Very high	69 Å²	69	63.4 Å²	63.4	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-52.2	178.2	-177.1	0	0	0	0	111.6	T381 Q382 S387 S388	T381-S385 WeakPolarHBondContact O-CB 3.45Å; T381-S385 PolarHBondContact O-N 2.91Å; Q382-S385 WeakPolarHBondContact O-CB 3.48Å; Q382-S385 PolarHBondContact O-N 3.46Å; S385-S387 VanDerWaalsContact C-N 3.33Å; S385-S387 PolarHBondContact O-N 2.96Å; S385-S388 WeakPolarHBondContact O-CB 3.5Å; S385-S388 PolarHBondContact O-N 3.43Å; S385-S388 VanDerWaalsContact O-N 3.13Å; S385-S388 PolarHBondContact O-OG 3.22Å
386	V	93.7	Very high	93.8	Very high	14 Å²	14	66.3 Å²	66.3	9%	0.085	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-39.3	177.5	174.3	0	0	0	0	111.9	T343 Q382 I384 S388 T389 L390 I399	T343-V386 HydrophobicContact CG2-CG2 3.68Å; Q382-V386 WeakPolarHBondContact O-CG2 3.23Å; Q382-V386 PolarHBondContact O-N 3.1Å; I384-V386 PolarHBondContact O-N 2.92Å; V386-S388 PolarHBondContact O-N 2.96Å; V386-T389 PolarHBondContact O-N 2.87Å; V386-T389 PolarHBondContact O-OG1 2.71Å; V386-L390 HydrophobicContact CG1-CD1 4.31Å; V386-I399 HydrophobicContact CG1-CG1 3.79Å; V386-I399 HydrophobicContact CG1-CG2 4.25Å
387	S	92.2	Very high	93.7	Very high	64 Å²	64	65.6 Å²	65.6	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-24.7	178.1	-60.8	0	0	0	0	112.7	A383 I384 S385	A383-S387 VanDerWaalsContact O-CB 3.29Å; A383-S387 WeakPolarHBondContact O-CB 3.28Å; A383-S387 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-OG 3Å; I384-S387 PolarHBondContact O-N 3.31Å; S385-S387 VanDerWaalsContact C-N 3.33Å; S385-S387 PolarHBondContact O-N 2.96Å
388	S	92.2	Very high	93.5	Very high	89 Å²	89	60.7 Å²	60.7	62%	0.622	34%	0.341	S	S	*	.	H	α-helix	trans	-77	-23.6	178.5	78	0	0	0	0	113.7	I384 S385 V386 L390	I384-S388 PolarHBondContact O-N 3.31Å; S385-S388 WeakPolarHBondContact O-CB 3.5Å; S385-S388 PolarHBondContact O-N 3.43Å; S385-S388 VanDerWaalsContact O-N 3.13Å; S385-S388 PolarHBondContact O-OG 3.22Å; V386-S388 PolarHBondContact O-N 2.96Å; S388-L390 VanDerWaalsContact C-N 3.35Å
389	T	89.6	Confident	93.4	Very high	94 Å²	94	59.9 Å²	59.9	58%	0.577	33%	0.331	S	S	*	.	H	α-helix	trans	-85	-10.4	179	63.9	0	0	0	0	113	V386	V386-T389 PolarHBondContact O-N 2.87Å; V386-T389 PolarHBondContact O-OG1 2.71Å
390	L	92	Very high	93.3	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.063	34%	0.339	C	S	.	.	S	Bend	trans	-113.8	150.2	-176.3	-64.6	170.2	0	0	0	111.7	F259 V386 S388 K397 I399	F259-L390 HydrophobicContact CD1-CD1 3.7Å; F259-L390 HydrophobicContact CD1-CD2 4.28Å; F259-L390 HydrophobicContact CD2-CD2 4.07Å; F259-L390 HydrophobicContact CE1-CD1 3.55Å; F259-L390 HydrophobicContact CE1-CD2 3.97Å; F259-L390 HydrophobicContact CE1-CG 4.24Å; F259-L390 HydrophobicContact CE2-CD2 3.71Å; F259-L390 HydrophobicContact CG-CD1 4.39Å; F259-L390 HydrophobicContact CG-CD2 4.33Å; F259-L390 HydrophobicContact CZ-CD1 4.1Å; F259-L390 HydrophobicContact CZ-CD2 3.65Å; F259-L390 HydrophobicContact CZ-CG 4.31Å; V386-L390 HydrophobicContact CG1-CD1 4.31Å; S388-L390 VanDerWaalsContact C-N 3.35Å; L390-K397 HydrophobicContact CD1-CD 4.02Å; L390-K397 VanDerWaalsContact CD1-CE 3.45Å; L390-I399 HydrophobicContact CD1-CG2 4.27Å
391	P	91.4	Very high	93.2	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.123	32%	0.323	C	S	.	.			trans	-60.7	152	169.5	24.1	-32.7	0	0	0	111.8	V163 M166 L256 V393	V163-P391 HydrophobicContact CG1-CG 3.99Å; V163-P391 WeakPolarHBondContact O-CG 3.29Å; M166-P391 HydrophobicContact CE-CG 3.97Å; L256-P391 HydrophobicContact CD1-CG 3.66Å; P391-V393 HydrophobicContact CG-CG1 4.21Å; P391-V393 PolarHBondContact O-N 3.31Å
392	R	90.6	Very high	93.2	Very high	254 Å²	254	54.5 Å²	54.5	96%	0.958	30%	0.3	S	S	*	.			trans	-69.2	102.7	167.1	-63.6	-166.4	-64.2	-158.5	-0.3	109.3
393	V	90.7	Very high	93.2	Very high	39 Å²	39	53.5 Å²	53.5	24%	0.236	30%	0.295	C	S	.	.			trans	-102	151.9	173.8	-66.9	0	0	0	0	110.2	L256 P391 Y395 K397	L256-V393 HydrophobicContact CD1-CG1 4.24Å; P391-V393 HydrophobicContact CG-CG1 4.21Å; P391-V393 PolarHBondContact O-N 3.31Å; V393-Y395 VanDerWaalsContact C-N 3.32Å; V393-Y395 HydrophobicContact CB-CD1 4.24Å; V393-Y395 HydrophobicContact CB-CD2 4.48Å; V393-Y395 HydrophobicContact CB-CE1 3.91Å; V393-Y395 HydrophobicContact CB-CE2 4.16Å; V393-Y395 HydrophobicContact CG1-CE1 4.18Å; V393-Y395 HydrophobicContact CG2-CD2 4.2Å; V393-Y395 HydrophobicContact CG2-CE2 3.98Å; V393-K397 HydrophobicContact CG2-CD 3.93Å; V393-K397 HydrophobicContact CG2-CG 4.05Å
394	S	91.5	Very high	93.2	Very high	130 Å²	130	56.9 Å²	56.9	91%	0.909	31%	0.31	S	S	*	.	S	Bend	trans	-83.3	-5.8	-178.5	54.6	0	0	0	0	114.2
395	Y	92.9	Very high	93.2	Very high	69 Å²	69	52.1 Å²	52.1	27%	0.271	29%	0.285	S	S	.	.	S	Bend	trans	-113.6	158.2	-178.9	54.5	-99.5	0	0	0	111.3	L256 Q257 V393 K397	L256-Y395 HydrophobicContact CB-CE2 4.22Å; L256-Y395 PolarHBondContact N-OH 3.49Å; Q257-Y395 HydrophobicContact CG-CD2 3.69Å; Q257-Y395 HydrophobicContact CG-CE2 3.72Å; Q257-Y395 HydrophobicContact CG-CG 4.37Å; V393-Y395 VanDerWaalsContact C-N 3.32Å; V393-Y395 HydrophobicContact CB-CD1 4.24Å; V393-Y395 HydrophobicContact CB-CD2 4.48Å; V393-Y395 HydrophobicContact CB-CE1 3.91Å; V393-Y395 HydrophobicContact CB-CE2 4.16Å; V393-Y395 HydrophobicContact CG1-CE1 4.18Å; V393-Y395 HydrophobicContact CG2-CD2 4.2Å; V393-Y395 HydrophobicContact CG2-CE2 3.98Å; Y395-K397 HydrophobicContact CE2-CG 4.4Å
396	I	92.3	Very high	93.3	Very high	68 Å²	68	48.9 Å²	48.9	35%	0.349	26%	0.262	S	S	.	.			trans	-76.6	134.1	177.8	-60.9	172.1	0	0	0	109.3	I8 D400 I401	I8-I396 HydrophobicContact CD1-CD1 4.16Å; I396-D400 HydrophobicContact CG2-CB 4.08Å; I396-I401 HydrophobicContact CG2-CD1 4.07Å; I396-I401 HydrophobicContact CG2-CG1 3.64Å
397	K	93.5	Very high	93.4	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.065	27%	0.266	C	S	.	.			trans	-97	157.1	175.4	-55.1	176.5	-61.2	-57.2	0	110.7	L256 Q257 L390 V393 Y395 I399 D400 I401	L256-K397 HydrophobicContact CB-CD 4.23Å; L256-K397 HydrophobicContact CB-CG 4.48Å; L256-K397 WeakPolarHBondContact O-CG 3.48Å; Q257-K397 CarbonylContact O-C 3.56Å; Q257-K397 WeakPolarHBondContact O-CA 3.49Å; L390-K397 HydrophobicContact CD1-CD 4.02Å; L390-K397 VanDerWaalsContact CD1-CE 3.45Å; V393-K397 HydrophobicContact CG2-CD 3.93Å; V393-K397 HydrophobicContact CG2-CG 4.05Å; Y395-K397 HydrophobicContact CE2-CG 4.4Å; K397-I399 VanDerWaalsContact C-N 3.26Å; K397-I399 HydrophobicContact CB-CG2 4.04Å; K397-I399 PolarHBondContact O-N 3.19Å; K397-D400 WeakPolarHBondContact CB-OD2 3.3Å; K397-D400 WeakPolarHBondContact CE-OD1 3.21Å; K397-D400 PolarHBondContact N-OD2 3Å; K397-D400 IonicContact NZ-OD1 3.77Å; K397-D400 PolarHBondContact NZ-OD1 3.34Å; K397-D400 IonicContact NZ-OD2 3.36Å; K397-D400 PolarHBondContact NZ-OD2 3.43Å; K397-D400 WeakPolarHBondContact O-CA 3.16Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 3.49Å; K397-I401 PolarHBondContact O-N 2.84Å; K397-I401 VanDerWaalsContact O-N 3.13Å
398	A	94.2	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.8	-43.1	174.9	0	0	0	0	0	112	Q257 D400 I401 W402 Y543 F547	Q257-A398 PolarHBondContact O-N 3Å; A398-D400 VanDerWaalsContact C-N 3.29Å; A398-D400 PolarHBondContact O-N 2.94Å; A398-I401 WeakPolarHBondContact O-CB 3.35Å; A398-I401 PolarHBondContact O-N 3.23Å; A398-I401 VanDerWaalsContact O-N 3.14Å; A398-W402 PolarHBondContact O-N 3.38Å; A398-Y543 PolarHBondContact O-OH 2.82Å; A398-F547 HydrophobicContact CB-CD1 3.55Å; A398-F547 HydrophobicContact CB-CD2 4.09Å; A398-F547 HydrophobicContact CB-CE1 3.35Å; A398-F547 HydrophobicContact CB-CE2 3.92Å; A398-F547 HydrophobicContact CB-CG 3.93Å; A398-F547 HydrophobicContact CB-CZ 3.56Å
399	I	94.9	Very high	93.7	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-33.1	174.6	-162.5	60.8	0	0	0	113.4	F259 T343 Y344 V386 L390 K397 I401 W402 M403	F259-I399 HydrophobicContact CD1-CB 4.16Å; F259-I399 HydrophobicContact CD1-CG2 3.74Å; F259-I399 HydrophobicContact CE1-CG2 4.24Å; F259-I399 PolarHBondContact O-N 3.04Å; F259-I399 VanDerWaalsContact O-N 3.14Å; T343-I399 HydrophobicContact CG2-CD1 4.1Å; Y344-I399 HydrophobicContact CE1-CD1 4.2Å; Y344-I399 HydrophobicContact CE2-CD1 4.03Å; V386-I399 HydrophobicContact CG1-CG1 3.79Å; V386-I399 HydrophobicContact CG1-CG2 4.25Å; L390-I399 HydrophobicContact CD1-CG2 4.27Å; K397-I399 VanDerWaalsContact C-N 3.26Å; K397-I399 HydrophobicContact CB-CG2 4.04Å; K397-I399 PolarHBondContact O-N 3.19Å; I399-I401 VanDerWaalsContact C-N 3.33Å; I399-W402 HydrophobicContact CD1-CB 4.42Å; I399-W402 WeakPolarHBondContact O-CB 3.28Å; I399-W402 PolarHBondContact O-N 2.92Å; I399-M403 WeakPolarHBondContact O-CG 3.38Å; I399-M403 PolarHBondContact O-N 3.3Å
400	D	94.5	Very high	94	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-39.7	176.3	-57.6	-30.2	0	0	0	110	I396 K397 A398 W402 M403 I404	I396-D400 HydrophobicContact CG2-CB 4.08Å; K397-D400 WeakPolarHBondContact CB-OD2 3.3Å; K397-D400 WeakPolarHBondContact CE-OD1 3.21Å; K397-D400 PolarHBondContact N-OD2 3Å; K397-D400 IonicContact NZ-OD1 3.77Å; K397-D400 PolarHBondContact NZ-OD1 3.34Å; K397-D400 IonicContact NZ-OD2 3.36Å; K397-D400 PolarHBondContact NZ-OD2 3.43Å; K397-D400 WeakPolarHBondContact O-CA 3.16Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 3.49Å; A398-D400 VanDerWaalsContact C-N 3.29Å; A398-D400 PolarHBondContact O-N 2.94Å; D400-W402 VanDerWaalsContact C-N 3.32Å; D400-W402 PolarHBondContact O-N 3.05Å; D400-M403 PolarHBondContact O-N 3.39Å; D400-I404 WeakPolarHBondContact O-CB 3.08Å; D400-I404 WeakPolarHBondContact O-CD1 3.36Å; D400-I404 WeakPolarHBondContact O-CG1 3.33Å; D400-I404 PolarHBondContact O-N 2.82Å
401	I	94.9	Very high	94.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-47.6	174	-67.7	166.8	0	0	0	109.3	F7 I396 K397 A398 I399 M403 I404 F405 F547	F7-I401 HydrophobicContact CE1-CG2 3.97Å; I396-I401 HydrophobicContact CG2-CD1 4.07Å; I396-I401 HydrophobicContact CG2-CG1 3.64Å; K397-I401 PolarHBondContact O-N 2.84Å; K397-I401 VanDerWaalsContact O-N 3.13Å; A398-I401 WeakPolarHBondContact O-CB 3.35Å; A398-I401 PolarHBondContact O-N 3.23Å; A398-I401 VanDerWaalsContact O-N 3.14Å; I399-I401 VanDerWaalsContact C-N 3.33Å; I401-M403 PolarHBondContact O-N 3.45Å; I401-I404 PolarHBondContact O-N 3.4Å; I401-F405 HydrophobicContact CG2-CD2 3.69Å; I401-F405 HydrophobicContact CG2-CE2 3.82Å; I401-F405 VanDerWaalsContact O-CD2 3.24Å; I401-F405 WeakPolarHBondContact O-CD2 3.29Å; I401-F405 PolarHBondContact O-N 2.84Å; I401-F547 HydrophobicContact CD1-CZ 3.81Å
402	W	96	Very high	94.4	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-49.6	174.6	177.9	-91	0	0	0	113	Y344 N347 V348 A398 I399 D400 S406 F536 Y539 N540 Y543	Y344-W402 AromaticContact CD1-CD2 3.57Å; Y344-W402 HydrophobicContact CD1-CD2 3.57Å; Y344-W402 AromaticContact CD1-CE2 3.46Å; Y344-W402 VanDerWaalsContact CD1-CE2 3.46Å; Y344-W402 AromaticContact CD1-CE3 3.94Å; Y344-W402 HydrophobicContact CD1-CE3 3.94Å; Y344-W402 HydrophobicContact CD1-CG 4.04Å; Y344-W402 HydrophobicContact CD1-CH2 4.07Å; Y344-W402 AromaticContact CD1-CZ2 3.75Å; Y344-W402 HydrophobicContact CD1-CZ2 3.75Å; Y344-W402 HydrophobicContact CD1-CZ3 4.17Å; Y344-W402 AromaticContact CD1-NE1 3.85Å; Y344-W402 HydrophobicContact CE1-CB 4.2Å; Y344-W402 AromaticContact CE1-CD2 3.5Å; Y344-W402 HydrophobicContact CE1-CD2 3.5Å; Y344-W402 VanDerWaalsContact CE1-CD2 3.5Å; Y344-W402 AromaticContact CE1-CE2 3.91Å; Y344-W402 AromaticContact CE1-CE3 3.8Å; Y344-W402 HydrophobicContact CE1-CE3 3.8Å; Y344-W402 AromaticContact CE1-CG 3.65Å; Y344-W402 HydrophobicContact CE1-CG 3.65Å; Y344-W402 HydrophobicContact CE1-CZ3 4.4Å; N347-W402 PolarHBondContact ND2-NE1 2.94Å; V348-W402 HydrophobicContact CG2-CH2 3.9Å; V348-W402 HydrophobicContact CG2-CZ2 3.82Å; A398-W402 PolarHBondContact O-N 3.38Å; I399-W402 HydrophobicContact CD1-CB 4.42Å; I399-W402 WeakPolarHBondContact O-CB 3.28Å; I399-W402 PolarHBondContact O-N 2.92Å; D400-W402 VanDerWaalsContact C-N 3.32Å; D400-W402 PolarHBondContact O-N 3.05Å; W402-S406 WeakPolarHBondContact O-CB 3.23Å; W402-S406 PolarHBondContact O-N 3.07Å; W402-S406 PolarHBondContact O-OG 3.23Å; W402-F536 HydrophobicContact CH2-CZ 4.37Å; W402-Y539 WeakPolarHBondContact CA-OH 3.37Å; W402-Y539 AromaticContact CE3-CE1 3.86Å; W402-Y539 HydrophobicContact CE3-CE1 3.86Å; W402-Y539 AromaticContact CZ3-CE1 3.93Å; W402-Y539 HydrophobicContact CZ3-CE1 3.93Å; W402-N540 WeakPolarHBondContact CH2-OD1 3.35Å; W402-N540 WeakPolarHBondContact CZ3-OD1 3.13Å; W402-Y543 HydrophobicContact CB-CE2 3.87Å; W402-Y543 AromaticContact CE3-CD1 3.68Å; W402-Y543 HydrophobicContact CE3-CD1 3.68Å; W402-Y543 HydrophobicContact CE3-CD2 4.21Å; W402-Y543 AromaticContact CE3-CE1 3.76Å; W402-Y543 HydrophobicContact CE3-CE1 3.76Å; W402-Y543 HydrophobicContact CE3-CE2 4.28Å; W402-Y543 AromaticContact CE3-CG 3.93Å; W402-Y543 HydrophobicContact CE3-CG 3.93Å; W402-Y543 HydrophobicContact CZ3-CD1 4.01Å; W402-Y543 HydrophobicContact CZ3-CE1 4.39Å; W402-Y543 HydrophobicContact CZ3-CG 4.36Å
403	M	95.5	Very high	94.5	Very high	9 Å²	9	32 Å²	32	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-42.5	-178.9	-63.4	-48.4	-77.6	0	0	112.3	N347 I379 Q382 A383 I399 D400 I401 F405 S406 I407	N347-M403 PolarHBondContact ND2-SD 2.92Å; I379-M403 HydrophobicContact CG2-CE 4.1Å; I379-M403 WeakPolarHBondContact O-CE 3.5Å; Q382-M403 HydrophobicContact CB-CE 3.74Å; A383-M403 VanDerWaalsContact CA-CE 3.48Å; A383-M403 HydrophobicContact CB-CB 4.22Å; A383-M403 HydrophobicContact CB-CE 3.66Å; A383-M403 HydrophobicContact CB-CG 4.25Å; A383-M403 VanDerWaalsContact N-CE 3.26Å; I399-M403 WeakPolarHBondContact O-CG 3.38Å; I399-M403 PolarHBondContact O-N 3.3Å; D400-M403 PolarHBondContact O-N 3.39Å; I401-M403 PolarHBondContact O-N 3.45Å; M403-F405 PolarHBondContact O-N 3.38Å; M403-S406 WeakPolarHBondContact O-CB 3.41Å; M403-S406 PolarHBondContact O-N 2.91Å; M403-I407 VanDerWaalsContact O-CG1 3.25Å; M403-I407 WeakPolarHBondContact O-CG1 3.42Å; M403-I407 PolarHBondContact O-N 2.71Å
404	I	95.6	Very high	94.7	Very high	86 Å²	86	32 Å²	32	44%	0.441	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-46.6	179.4	-70.6	164.8	0	0	0	110.5	D400 I401 I407 I408	D400-I404 WeakPolarHBondContact O-CB 3.08Å; D400-I404 WeakPolarHBondContact O-CD1 3.36Å; D400-I404 WeakPolarHBondContact O-CG1 3.33Å; D400-I404 PolarHBondContact O-N 2.82Å; I401-I404 PolarHBondContact O-N 3.4Å; I404-I407 PolarHBondContact O-N 3.45Å; I404-I408 HydrophobicContact CG2-CD1 3.9Å; I404-I408 WeakPolarHBondContact O-CG1 3.42Å; I404-I408 PolarHBondContact O-N 2.88Å
405	F	95	Very high	94.8	Very high	22 Å²	22	29.4 Å²	29.4	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-40.6	177.5	-84.9	-71.4	0	0	0	112.2	I11 I401 M403 I407 I408 F409 Y539	I11-F405 HydrophobicContact CB-CE1 4Å; I11-F405 HydrophobicContact CB-CZ 3.65Å; I11-F405 HydrophobicContact CD1-CE1 4.35Å; I11-F405 HydrophobicContact CD1-CE2 3.78Å; I11-F405 HydrophobicContact CD1-CZ 3.57Å; I11-F405 HydrophobicContact CG1-CZ 4.25Å; I11-F405 HydrophobicContact CG2-CD1 4.17Å; I11-F405 HydrophobicContact CG2-CE1 3.18Å; I11-F405 HydrophobicContact CG2-CE2 4.47Å; I11-F405 HydrophobicContact CG2-CZ 3.38Å; I401-F405 HydrophobicContact CG2-CD2 3.69Å; I401-F405 HydrophobicContact CG2-CE2 3.82Å; I401-F405 VanDerWaalsContact O-CD2 3.24Å; I401-F405 WeakPolarHBondContact O-CD2 3.29Å; I401-F405 PolarHBondContact O-N 2.84Å; M403-F405 PolarHBondContact O-N 3.38Å; F405-I407 VanDerWaalsContact C-N 3.3Å; F405-I407 PolarHBondContact O-N 2.86Å; F405-I408 HydrophobicContact CD1-CD1 4.48Å; F405-I408 PolarHBondContact O-N 3.43Å; F405-F409 VanDerWaalsContact O-CD2 3.23Å; F405-F409 WeakPolarHBondContact O-CD2 3.21Å; F405-F409 PolarHBondContact O-N 3.2Å; F405-Y539 HydrophobicContact CB-CD2 4.37Å; F405-Y539 HydrophobicContact CB-CE1 4.02Å; F405-Y539 HydrophobicContact CB-CE2 3.62Å; F405-Y539 VanDerWaalsContact CB-CZ 3.42Å; F405-Y539 WeakPolarHBondContact CB-OH 3.35Å; F405-Y539 HydrophobicContact CD1-CD2 4.34Å; F405-Y539 HydrophobicContact CD1-CE2 4.05Å; F405-Y539 AromaticContact CD2-CE2 3.6Å; F405-Y539 HydrophobicContact CD2-CE2 3.6Å; F405-Y539 HydrophobicContact CE2-CE2 4.34Å; F405-Y539 HydrophobicContact CG-CD2 4.16Å; F405-Y539 AromaticContact CG-CE2 3.44Å; F405-Y539 HydrophobicContact CG-CE2 3.44Å; F405-Y539 VanDerWaalsContact CG-CE2 3.44Å; F405-Y539 AromaticContact CG-CZ 3.79Å
406	S	95.6	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-43.6	173.6	-61.9	0	0	0	0	112	W402 M403 F409 V410	W402-S406 WeakPolarHBondContact O-CB 3.23Å; W402-S406 PolarHBondContact O-N 3.07Å; W402-S406 PolarHBondContact O-OG 3.23Å; M403-S406 WeakPolarHBondContact O-CB 3.41Å; M403-S406 PolarHBondContact O-N 2.91Å; S406-F409 PolarHBondContact O-N 3.46Å; S406-V410 WeakPolarHBondContact O-CG2 3.36Å; S406-V410 PolarHBondContact O-N 3.36Å
407	I	96.4	Very high	94.8	Very high	33 Å²	33	24.1 Å²	24.1	17%	0.169	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-45.2	175.8	-68.3	163.3	0	0	0	110.9	L376 I379 L380 M403 I404 F405 F409 V410 I411	L376-I407 HydrophobicContact CD1-CG2 4.13Å; I379-I407 HydrophobicContact CG2-CD1 4.48Å; I379-I407 HydrophobicContact CG2-CG1 3.58Å; L380-I407 HydrophobicContact CD2-CD1 3.78Å; L380-I407 HydrophobicContact CD2-CG1 4.31Å; M403-I407 VanDerWaalsContact O-CG1 3.25Å; M403-I407 WeakPolarHBondContact O-CG1 3.42Å; M403-I407 PolarHBondContact O-N 2.71Å; I404-I407 PolarHBondContact O-N 3.45Å; F405-I407 VanDerWaalsContact C-N 3.3Å; F405-I407 PolarHBondContact O-N 2.86Å; I407-F409 VanDerWaalsContact C-N 3.3Å; I407-F409 PolarHBondContact O-N 2.92Å; I407-V410 PolarHBondContact O-N 2.87Å; I407-I411 HydrophobicContact CG2-CD1 3.61Å; I407-I411 HydrophobicContact CG2-CG1 4.25Å; I407-I411 WeakPolarHBondContact O-CB 3.31Å; I407-I411 WeakPolarHBondContact O-CG1 3.46Å; I407-I411 PolarHBondContact O-N 3.02Å
408	I	96	Very high	94.8	Very high	52 Å²	52	25.8 Å²	25.8	27%	0.267	14%	0.143	S	C	.	.	H	α-helix	trans	-59.7	-41.7	177.9	-69.2	166.5	0	0	0	110.9	F15 I404 F405 I411 G412	F15-I408 HydrophobicContact CD2-CG2 4.17Å; F15-I408 HydrophobicContact CE1-CG2 4.34Å; F15-I408 HydrophobicContact CE2-CG2 3.65Å; F15-I408 HydrophobicContact CZ-CG2 3.75Å; I404-I408 HydrophobicContact CG2-CD1 3.9Å; I404-I408 WeakPolarHBondContact O-CG1 3.42Å; I404-I408 PolarHBondContact O-N 2.88Å; F405-I408 HydrophobicContact CD1-CD1 4.48Å; F405-I408 PolarHBondContact O-N 3.43Å; I408-I411 PolarHBondContact O-N 3.47Å; I408-G412 PolarHBondContact O-N 3.09Å
409	F	95.3	Very high	94.6	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-48.3	176.5	-88.1	-73.3	0	0	0	111.9	F405 S406 I407 G412 V413 F532 C535 F536 Y539	F405-F409 VanDerWaalsContact O-CD2 3.23Å; F405-F409 WeakPolarHBondContact O-CD2 3.21Å; F405-F409 PolarHBondContact O-N 3.2Å; S406-F409 PolarHBondContact O-N 3.46Å; I407-F409 VanDerWaalsContact C-N 3.3Å; I407-F409 PolarHBondContact O-N 2.92Å; F409-G412 WeakPolarHBondContact O-CA 3.44Å; F409-G412 PolarHBondContact O-N 3.16Å; F409-G412 VanDerWaalsContact O-N 3.13Å; F409-V413 WeakPolarHBondContact O-CG2 3.47Å; F409-V413 PolarHBondContact O-N 3.37Å; F409-F532 HydrophobicContact CD1-CD1 4.46Å; F409-C535 HydrophobicContact CE1-CB 3.94Å; F409-C535 HydrophobicContact CZ-CB 4.23Å; F409-F536 AromaticContact CD2-CD2 3.86Å; F409-F536 HydrophobicContact CD2-CD2 3.86Å; F409-F536 HydrophobicContact CD2-CE2 4.45Å; F409-F536 HydrophobicContact CE1-CB 4.1Å; F409-F536 AromaticContact CE2-CD2 3.85Å; F409-F536 HydrophobicContact CE2-CD2 3.85Å; F409-F536 HydrophobicContact CG-CD2 4.24Å; F409-F536 HydrophobicContact CZ-CB 4.16Å; F409-F536 HydrophobicContact CZ-CD2 4.19Å; F409-Y539 HydrophobicContact CE2-CD1 4.16Å; F409-Y539 HydrophobicContact CE2-CG 4.05Å
410	V	95.6	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-39.2	179.8	178.9	0	0	0	0	111.8	I351 L376 I379 S406 I407 G412 V413 L414	I351-V410 HydrophobicContact CG1-CG2 4.25Å; L376-V410 HydrophobicContact CB-CG1 3.79Å; L376-V410 HydrophobicContact CD1-CG1 4.37Å; I379-V410 HydrophobicContact CG1-CG2 4.17Å; S406-V410 WeakPolarHBondContact O-CG2 3.36Å; S406-V410 PolarHBondContact O-N 3.36Å; I407-V410 PolarHBondContact O-N 2.87Å; V410-G412 VanDerWaalsContact C-N 3.28Å; V410-G412 PolarHBondContact O-N 3.04Å; V410-V413 WeakPolarHBondContact O-CB 3.46Å; V410-V413 PolarHBondContact O-N 3.23Å; V410-L414 PolarHBondContact O-N 3.27Å; V410-L414 VanDerWaalsContact O-N 3.16Å
411	I	96.3	Very high	94.2	Very high	76 Å²	76	30.1 Å²	30.1	39%	0.39	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-39.2	172	-68.6	173.4	0	0	0	110.4	L376 I407 I408 V413 L414 V415	L376-I411 HydrophobicContact CD1-CG1 4.05Å; L376-I411 HydrophobicContact CD2-CG1 4.43Å; I407-I411 HydrophobicContact CG2-CD1 3.61Å; I407-I411 HydrophobicContact CG2-CG1 4.25Å; I407-I411 WeakPolarHBondContact O-CB 3.31Å; I407-I411 WeakPolarHBondContact O-CG1 3.46Å; I407-I411 PolarHBondContact O-N 3.02Å; I408-I411 PolarHBondContact O-N 3.47Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 3.06Å; I411-L414 WeakPolarHBondContact O-CB 3.4Å; I411-L414 PolarHBondContact O-N 2.97Å; I411-L414 VanDerWaalsContact O-N 3.09Å; I411-V415 HydrophobicContact CG2-CG2 4.2Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 3.19Å
412	G	94.6	Very high	94	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-40.6	174.4	0	0	0	0	0	112.7	I408 F409 V410 V415 E416	I408-G412 PolarHBondContact O-N 3.09Å; F409-G412 WeakPolarHBondContact O-CA 3.44Å; F409-G412 PolarHBondContact O-N 3.16Å; F409-G412 VanDerWaalsContact O-N 3.13Å; V410-G412 VanDerWaalsContact C-N 3.28Å; V410-G412 PolarHBondContact O-N 3.04Å; G412-V415 PolarHBondContact O-N 3.16Å; G412-E416 WeakPolarHBondContact O-CB 3.3Å; G412-E416 PolarHBondContact O-N 3.43Å
413	V	93.5	Very high	93.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-42	173.7	177.7	0	0	0	0	111.5	S357 F358 F409 V410 I411 E416 Y417 F532	S357-V413 WeakPolarHBondContact OG-CG1 3.45Å; F358-V413 HydrophobicContact CE1-CG1 3.93Å; F358-V413 HydrophobicContact CE1-CG2 4.44Å; F358-V413 HydrophobicContact CZ-CB 4.41Å; F358-V413 HydrophobicContact CZ-CG1 4.12Å; F358-V413 HydrophobicContact CZ-CG2 3.84Å; F409-V413 WeakPolarHBondContact O-CG2 3.47Å; F409-V413 PolarHBondContact O-N 3.37Å; V410-V413 WeakPolarHBondContact O-CB 3.46Å; V410-V413 PolarHBondContact O-N 3.23Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 3.06Å; V413-E416 PolarHBondContact O-N 3.24Å; V413-Y417 PolarHBondContact O-N 2.77Å; V413-F532 HydrophobicContact CG2-CD1 4.05Å; V413-F532 HydrophobicContact CG2-CE1 4.02Å
414	L	94.3	Very high	93.2	Very high	38 Å²	38	37 Å²	37	20%	0.199	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-38	176.6	-72.6	172.3	0	0	0	112.5	L373 L376 V410 I411 Y417 A418	L373-L414 HydrophobicContact CD2-CD1 4.32Å; L376-L414 HydrophobicContact CD2-CD1 3.99Å; V410-L414 PolarHBondContact O-N 3.27Å; V410-L414 VanDerWaalsContact O-N 3.16Å; I411-L414 WeakPolarHBondContact O-CB 3.4Å; I411-L414 PolarHBondContact O-N 2.97Å; I411-L414 VanDerWaalsContact O-N 3.09Å; L414-Y417 PolarHBondContact O-N 2.93Å; L414-A418 PolarHBondContact O-N 3.32Å
415	V	94.4	Very high	92.8	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-67.9	-42.7	176.1	170.6	0	0	0	0	110.8	I411 G412 Y417 A418 I419	I411-V415 HydrophobicContact CG2-CG2 4.2Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 3.19Å; G412-V415 PolarHBondContact O-N 3.16Å; V415-Y417 VanDerWaalsContact C-N 3.32Å; V415-Y417 PolarHBondContact O-N 2.58Å; V415-A418 PolarHBondContact O-N 3.29Å; V415-I419 HydrophobicContact CG1-CD1 3.79Å; V415-I419 HydrophobicContact CG1-CG1 4.4Å; V415-I419 VanDerWaalsContact O-CG1 3.31Å; V415-I419 WeakPolarHBondContact O-CG1 3.35Å; V415-I419 PolarHBondContact O-N 3.1Å
416	E	93.2	Very high	92.4	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-49.6	173.1	-175.8	-73.1	139.7	0	0	110.4	F358 G412 V413 A418 I419 A420 I524 S528 F532	F358-E416 HydrophobicContact CE1-CB 4.46Å; F358-E416 HydrophobicContact CE1-CG 4.09Å; F358-E416 WeakPolarHBondContact CE1-OE2 3.41Å; G412-E416 WeakPolarHBondContact O-CB 3.3Å; G412-E416 PolarHBondContact O-N 3.43Å; V413-E416 PolarHBondContact O-N 3.24Å; E416-A418 VanDerWaalsContact C-N 3.33Å; E416-A418 PolarHBondContact O-N 3.47Å; E416-I419 PolarHBondContact O-N 3.29Å; E416-I419 VanDerWaalsContact O-N 3.13Å; E416-A420 WeakPolarHBondContact O-CB 3.28Å; E416-A420 PolarHBondContact O-N 2.99Å; E416-I524 HydrophobicContact CG-CG2 4.19Å; E416-I524 VanDerWaalsContact OE1-CG2 3.31Å; E416-I524 WeakPolarHBondContact OE1-CG2 3.35Å; E416-S528 WeakPolarHBondContact CG-OG 3.37Å; E416-F532 HydrophobicContact CB-CE2 4.24Å; E416-F532 HydrophobicContact CB-CZ 4.15Å; E416-F532 HydrophobicContact CG-CE2 4.19Å
417	Y	91.9	Very high	91.9	Very high	22 Å²	22	52.4 Å²	52.4	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-42.5	177.3	169	-111.7	0	0	0	112.7	A365 R368 V369 V413 L414 V415 I419 A420 L421	A365-Y417 VanDerWaalsContact CA-OH 3.24Å; A365-Y417 WeakPolarHBondContact CA-OH 3.37Å; A365-Y417 WeakPolarHBondContact CB-OH 3.38Å; R368-Y417 HydrophobicContact CB-CD2 3.93Å; R368-Y417 HydrophobicContact CB-CE2 3.79Å; R368-Y417 HydrophobicContact CB-CG 4.4Å; R368-Y417 VanDerWaalsContact CD-CE2 3.44Å; R368-Y417 HydrophobicContact CG-CD2 4.26Å; R368-Y417 HydrophobicContact CG-CE2 4.22Å; V369-Y417 HydrophobicContact CG2-CD1 4.23Å; V369-Y417 HydrophobicContact CG2-CE1 3.33Å; V413-Y417 PolarHBondContact O-N 2.77Å; L414-Y417 PolarHBondContact O-N 2.93Å; V415-Y417 VanDerWaalsContact C-N 3.32Å; V415-Y417 PolarHBondContact O-N 2.58Å; Y417-I419 VanDerWaalsContact C-N 3.34Å; Y417-I419 PolarHBondContact O-N 2.89Å; Y417-A420 PolarHBondContact O-N 2.9Å; Y417-L421 WeakPolarHBondContact O-CB 3.5Å; Y417-L421 PolarHBondContact O-N 3.18Å
418	A	92.2	Very high	91.3	Very high	50 Å²	50	54.3 Å²	54.3	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.3	0	0	0	0	0	111.6	L414 V415 E416 L421 T422	L414-A418 PolarHBondContact O-N 3.32Å; V415-A418 PolarHBondContact O-N 3.29Å; E416-A418 VanDerWaalsContact C-N 3.33Å; E416-A418 PolarHBondContact O-N 3.47Å; A418-L421 PolarHBondContact O-N 2.77Å; A418-T422 VanDerWaalsContact O-CG2 3.22Å; A418-T422 WeakPolarHBondContact O-CG2 3.5Å; A418-T422 PolarHBondContact O-N 2.8Å
419	I	91.8	Very high	90.8	Very high	55 Å²	55	56.8 Å²	56.8	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-48.1	177	-67.9	168	0	0	0	110.5	V415 E416 Y417 L421 T422 I423 I524	V415-I419 HydrophobicContact CG1-CD1 3.79Å; V415-I419 HydrophobicContact CG1-CG1 4.4Å; V415-I419 VanDerWaalsContact O-CG1 3.31Å; V415-I419 WeakPolarHBondContact O-CG1 3.35Å; V415-I419 PolarHBondContact O-N 3.1Å; E416-I419 PolarHBondContact O-N 3.29Å; E416-I419 VanDerWaalsContact O-N 3.13Å; Y417-I419 VanDerWaalsContact C-N 3.34Å; Y417-I419 PolarHBondContact O-N 2.89Å; I419-L421 VanDerWaalsContact C-N 3.3Å; I419-L421 PolarHBondContact O-N 2.95Å; I419-T422 PolarHBondContact O-N 3.25Å; I419-T422 VanDerWaalsContact O-N 3.09Å; I419-T422 PolarHBondContact O-OG1 3.19Å; I419-I423 HydrophobicContact CG2-CD1 3.79Å; I419-I423 PolarHBondContact O-N 3.13Å; I419-I524 HydrophobicContact CG2-CD1 4.08Å
420	A	90.7	Very high	90.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.5	-43.7	177.1	0	0	0	0	0	111.8	V362 E416 Y417 I423 L424 I524	V362-A420 HydrophobicContact CG2-CB 4.07Å; E416-A420 WeakPolarHBondContact O-CB 3.28Å; E416-A420 PolarHBondContact O-N 2.99Å; Y417-A420 PolarHBondContact O-N 2.9Å; A420-I423 PolarHBondContact O-N 2.96Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.37Å; A420-L424 PolarHBondContact O-N 3.45Å; A420-I524 HydrophobicContact CB-CD1 4.38Å
421	L	89.6	Confident	89.8	Confident	71 Å²	71	64.5 Å²	64.5	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176	-175.5	63.8	0	0	0	112.2	Y417 A418 I419 R425	Y417-L421 WeakPolarHBondContact O-CB 3.5Å; Y417-L421 PolarHBondContact O-N 3.18Å; A418-L421 PolarHBondContact O-N 2.77Å; I419-L421 VanDerWaalsContact C-N 3.3Å; I419-L421 PolarHBondContact O-N 2.95Å; L421-R425 WeakPolarHBondContact O-CB 3.36Å; L421-R425 PolarHBondContact O-N 2.96Å
422	T	89.5	Confident	89.2	Confident	91 Å²	91	68.8 Å²	68.8	56%	0.558	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-40.7	178	63.6	0	0	0	0	112.8	A418 I419 R426	A418-T422 VanDerWaalsContact O-CG2 3.22Å; A418-T422 WeakPolarHBondContact O-CG2 3.5Å; A418-T422 PolarHBondContact O-N 2.8Å; I419-T422 PolarHBondContact O-N 3.25Å; I419-T422 VanDerWaalsContact O-N 3.09Å; I419-T422 PolarHBondContact O-OG1 3.19Å; T422-R426 PolarHBondContact O-N 3.44Å
423	I	88.7	Confident	88.8	Confident	62 Å²	62	73.8 Å²	73.8	32%	0.318	36%	0.36	S	S	.	.	H	α-helix	trans	-70.7	-42.1	179.1	-73.3	167.9	0	0	0	110.6	I419 A420 R425 R426 K427 I524	I419-I423 HydrophobicContact CG2-CD1 3.79Å; I419-I423 PolarHBondContact O-N 3.13Å; A420-I423 PolarHBondContact O-N 2.96Å; I423-R425 PolarHBondContact O-N 2.83Å; I423-R426 PolarHBondContact O-N 3.17Å; I423-K427 HydrophobicContact CG2-CD 4.46Å; I423-K427 PolarHBondContact O-N 3.01Å; I423-I524 HydrophobicContact CB-CD1 4.3Å; I423-I524 HydrophobicContact CD1-CD1 3.39Å; I423-I524 HydrophobicContact CG1-CD1 4.38Å
424	L	86	Confident	88.3	Confident	9 Å²	9	78.7 Å²	78.7	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-57.8	-48.9	174.7	-179	70.1	0	0	0	111.2	V362 D363 A420 R426 K427 Q428	V362-L424 HydrophobicContact CB-CD2 4.26Å; V362-L424 HydrophobicContact CG1-CD1 4.23Å; V362-L424 HydrophobicContact CG1-CD2 3.45Å; V362-L424 VanDerWaalsContact CG1-CD2 3.45Å; V362-L424 HydrophobicContact CG1-CG 4.3Å; V362-L424 HydrophobicContact CG2-CD2 3.97Å; D363-L424 WeakPolarHBondContact OD1-CD2 3.41Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.37Å; A420-L424 PolarHBondContact O-N 3.45Å; L424-R426 VanDerWaalsContact C-N 3.27Å; L424-R426 PolarHBondContact O-N 3.44Å; L424-K427 PolarHBondContact O-N 3.35Å; L424-Q428 HydrophobicContact CD1-CG 4.46Å; L424-Q428 HydrophobicContact CG-CG 4.41Å; L424-Q428 WeakPolarHBondContact O-CB 3.2Å; L424-Q428 WeakPolarHBondContact O-CG 3.38Å; L424-Q428 PolarHBondContact O-N 3.36Å
425	R	87.2	Confident	87.8	Confident	193 Å²	193	78.9 Å²	78.9	73%	0.728	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-36.6	179.2	-174.2	174.6	-179.6	176	0.9	112.2	L421 I423 C429	L421-R425 WeakPolarHBondContact O-CB 3.36Å; L421-R425 PolarHBondContact O-N 2.96Å; I423-R425 PolarHBondContact O-N 2.83Å; R425-C429 WeakPolarHBondContact O-CB 3.48Å; R425-C429 PolarHBondContact O-N 3.37Å
426	R	88.4	Confident	87.4	Confident	171 Å²	171	77.6 Å²	77.6	65%	0.645	38%	0.376	S	S	*	.	H	α-helix	trans	-65.8	-49.1	174.8	-177.3	178.9	173.6	175.2	2.1	111.4	T422 I423 L424 Q428 C429 E430	T422-R426 PolarHBondContact O-N 3.44Å; I423-R426 PolarHBondContact O-N 3.17Å; L424-R426 VanDerWaalsContact C-N 3.27Å; L424-R426 PolarHBondContact O-N 3.44Å; R426-Q428 PolarHBondContact O-N 2.96Å; R426-C429 WeakPolarHBondContact O-CB 3.42Å; R426-C429 PolarHBondContact O-N 3.48Å; R426-C429 VanDerWaalsContact O-N 3.16Å; R426-E430 IonicContact CZ-OE1 2.92Å; R426-E430 IonicContact NE-OE1 3.84Å; R426-E430 PolarHBondContact NE-OE1 3.09Å; R426-E430 IonicContact NH2-OE1 3.78Å; R426-E430 WeakPolarHBondContact O-CG 3.41Å; R426-E430 PolarHBondContact O-N 2.72Å
427	K	85.2	Confident	87.1	Confident	67 Å²	67	81.8 Å²	81.8	29%	0.291	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-46.9	176.9	-73.1	-172.3	179.2	-175.6	0	111	I423 L424 C429 E430 T431 E523	I423-K427 HydrophobicContact CG2-CD 4.46Å; I423-K427 PolarHBondContact O-N 3.01Å; L424-K427 PolarHBondContact O-N 3.35Å; K427-C429 VanDerWaalsContact C-N 3.31Å; K427-C429 PolarHBondContact O-N 3.36Å; K427-E430 PolarHBondContact O-N 3.4Å; K427-E430 VanDerWaalsContact O-N 3.09Å; K427-T431 PolarHBondContact O-N 3.16Å; K427-T431 PolarHBondContact O-OG1 2.8Å; K427-E523 IonicContact NZ-OE2 2.8Å; K427-E523 PolarHBondContact NZ-OE2 3.46Å
428	Q	83	Confident	86.8	Confident	73 Å²	73	85.9 Å²	85.9	34%	0.341	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-40.5	175.3	-74.7	172.9	-11.6	0	0	112.2	D363 L424 R426 E430 W432	D363-Q428 PolarHBondContact OD1-NE2 3.13Å; L424-Q428 HydrophobicContact CD1-CG 4.46Å; L424-Q428 HydrophobicContact CG-CG 4.41Å; L424-Q428 WeakPolarHBondContact O-CB 3.2Å; L424-Q428 WeakPolarHBondContact O-CG 3.38Å; L424-Q428 PolarHBondContact O-N 3.36Å; R426-Q428 PolarHBondContact O-N 2.96Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 3.44Å; Q428-W432 WeakPolarHBondContact O-CA 3.19Å; Q428-W432 VanDerWaalsContact O-CB 3.25Å; Q428-W432 WeakPolarHBondContact O-CB 3.22Å; Q428-W432 PolarHBondContact O-N 2.92Å
429	C	86	Confident	86.6	Confident	103 Å²	103	87.8 Å²	87.8	70%	0.696	42%	0.417	S	S	*	.	H	α-helix	trans	-66.7	-34	176.4	-168.7	0	0	0	0	112.7	R425 R426 K427	R425-C429 WeakPolarHBondContact O-CB 3.48Å; R425-C429 PolarHBondContact O-N 3.37Å; R426-C429 WeakPolarHBondContact O-CB 3.42Å; R426-C429 PolarHBondContact O-N 3.48Å; R426-C429 VanDerWaalsContact O-N 3.16Å; K427-C429 VanDerWaalsContact C-N 3.31Å; K427-C429 PolarHBondContact O-N 3.36Å
430	E	84.9	Confident	86.5	Confident	126 Å²	126	88.7 Å²	88.7	59%	0.589	42%	0.424	S	S	*	.	H	α-helix	trans	-74.8	-38.2	177.5	-71	172.1	-174.6	0	0	111.6	R426 K427 Q428	R426-E430 IonicContact CZ-OE1 2.92Å; R426-E430 IonicContact NE-OE1 3.84Å; R426-E430 PolarHBondContact NE-OE1 3.09Å; R426-E430 IonicContact NH2-OE1 3.78Å; R426-E430 WeakPolarHBondContact O-CG 3.41Å; R426-E430 PolarHBondContact O-N 2.72Å; K427-E430 PolarHBondContact O-N 3.4Å; K427-E430 VanDerWaalsContact O-N 3.09Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 3.44Å
431	T	84.2	Confident	86.4	Confident	55 Å²	55	96 Å²	96	34%	0.337	45%	0.452	S	S	.	.	H	α-helix	trans	-89.8	-14.6	-177.8	64.3	0	0	0	0	114.8	K427 H433 E434 D435	K427-T431 PolarHBondContact O-N 3.16Å; K427-T431 PolarHBondContact O-OG1 2.8Å; T431-H433 PolarHBondContact O-N 3.18Å; T431-E434 PolarHBondContact O-N 3.19Å; T431-D435 PolarHBondContact O-N 2.98Å; T431-D435 PolarHBondContact OG1-OD2 3.24Å
432	W	83.8	Confident	86.1	Confident	166 Å²	166	95.9 Å²	95.9	63%	0.629	45%	0.452	S	S	*	.	H	α-helix	trans	-50.4	-39.7	-173.1	-178.4	82.3	0	0	0	113.9	Q428 D435 V436	Q428-W432 WeakPolarHBondContact O-CA 3.19Å; Q428-W432 VanDerWaalsContact O-CB 3.25Å; Q428-W432 WeakPolarHBondContact O-CB 3.22Å; Q428-W432 PolarHBondContact O-N 2.92Å; W432-D435 PolarHBondContact O-N 3.16Å; W432-V436 HydrophobicContact CD2-CG2 3.88Å; W432-V436 HydrophobicContact CE3-CG2 4.34Å; W432-V436 HydrophobicContact CG-CG2 4.38Å; W432-V436 HydrophobicContact CH2-CG2 4.15Å; W432-V436 HydrophobicContact CZ2-CG2 3.67Å; W432-V436 HydrophobicContact CZ3-CG2 4.46Å; W432-V436 WeakPolarHBondContact O-CB 3.31Å; W432-V436 VanDerWaalsContact O-CG2 3.23Å; W432-V436 WeakPolarHBondContact O-CG2 3.14Å; W432-V436 PolarHBondContact O-N 2.92Å
433	H	85.4	Confident	86	Confident	117 Å²	117	95.5 Å²	95.5	54%	0.542	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-41	179.7	-175.5	65.6	0	0	0	112.6	T431 K437	T431-H433 PolarHBondContact O-N 3.18Å; H433-K437 WeakPolarHBondContact O-CB 3.28Å; H433-K437 PolarHBondContact O-N 3.16Å
434	E	85	Confident	86.1	Confident	105 Å²	105	98 Å²	98	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-70.2	-40.3	177.2	-63.8	-56.8	148.7	0	0	110.5	T431 V436 K437 E438	T431-E434 PolarHBondContact O-N 3.19Å; E434-V436 PolarHBondContact O-N 3.3Å; E434-K437 PolarHBondContact O-N 3.43Å; E434-K437 IonicContact OE1-NZ 3.95Å; E434-K437 IonicContact OE2-NZ 3.3Å; E434-K437 PolarHBondContact OE2-NZ 3.28Å; E434-E438 WeakPolarHBondContact O-CB 3.48Å; E434-E438 PolarHBondContact O-N 3.06Å
435	D	82.6	Confident	86.2	Confident	42 Å²	42	101.2 Å²	101.2	23%	0.225	48%	0.477	C	S	.	.	H	α-helix	trans	-60.6	-45.3	175.7	-61.9	-34.5	0	0	0	111.1	T431 W432 E438 I439	T431-D435 PolarHBondContact O-N 2.98Å; T431-D435 PolarHBondContact OG1-OD2 3.24Å; W432-D435 PolarHBondContact O-N 3.16Å; D435-E438 PolarHBondContact O-N 3.38Å; D435-I439 WeakPolarHBondContact O-CD1 3.19Å; D435-I439 WeakPolarHBondContact O-CG1 3.36Å; D435-I439 PolarHBondContact O-N 3.08Å
436	V	86.4	Confident	86.1	Confident	48 Å²	48	95.7 Å²	95.7	29%	0.291	46%	0.456	S	S	.	.	H	α-helix	trans	-65.1	-41.4	176.2	169.3	0	0	0	0	111.4	W432 E434 E438 I439 V440	W432-V436 HydrophobicContact CD2-CG2 3.88Å; W432-V436 HydrophobicContact CE3-CG2 4.34Å; W432-V436 HydrophobicContact CG-CG2 4.38Å; W432-V436 HydrophobicContact CH2-CG2 4.15Å; W432-V436 HydrophobicContact CZ2-CG2 3.67Å; W432-V436 HydrophobicContact CZ3-CG2 4.46Å; W432-V436 WeakPolarHBondContact O-CB 3.31Å; W432-V436 VanDerWaalsContact O-CG2 3.23Å; W432-V436 WeakPolarHBondContact O-CG2 3.14Å; W432-V436 PolarHBondContact O-N 2.92Å; E434-V436 PolarHBondContact O-N 3.3Å; V436-E438 VanDerWaalsContact C-N 3.32Å; V436-E438 PolarHBondContact O-N 3.34Å; V436-I439 PolarHBondContact O-N 2.91Å; V436-V440 HydrophobicContact CG1-CG2 4.17Å; V436-V440 WeakPolarHBondContact O-CB 3.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.2Å; V436-V440 PolarHBondContact O-N 3.42Å
437	K	87.4	Confident	86.1	Confident	91 Å²	91	95.3 Å²	95.3	40%	0.396	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-37	178.3	-179.7	-176.6	173.1	-167.4	0	111.8	H433 E434 R441	H433-K437 WeakPolarHBondContact O-CB 3.28Å; H433-K437 PolarHBondContact O-N 3.16Å; E434-K437 PolarHBondContact O-N 3.43Å; E434-K437 IonicContact OE1-NZ 3.95Å; E434-K437 IonicContact OE2-NZ 3.3Å; E434-K437 PolarHBondContact OE2-NZ 3.28Å; K437-R441 VanDerWaalsContact O-CB 3.3Å; K437-R441 WeakPolarHBondContact O-CB 3.44Å; K437-R441 PolarHBondContact O-N 3.33Å
438	E	85.7	Confident	86.3	Confident	108 Å²	108	95.2 Å²	95.2	51%	0.505	46%	0.462	S	S	.	.	H	α-helix	trans	-65.9	-48.4	173.1	-170.7	172	-174.8	0	0	110.9	E434 D435 V436 V440 R441 D442	E434-E438 WeakPolarHBondContact O-CB 3.48Å; E434-E438 PolarHBondContact O-N 3.06Å; D435-E438 PolarHBondContact O-N 3.38Å; V436-E438 VanDerWaalsContact C-N 3.32Å; V436-E438 PolarHBondContact O-N 3.34Å; E438-V440 VanDerWaalsContact C-N 3.35Å; E438-V440 PolarHBondContact O-N 2.91Å; E438-R441 WeakPolarHBondContact O-CB 3.1Å; E438-R441 PolarHBondContact O-N 3.03Å; E438-D442 PolarHBondContact O-N 3.19Å
439	I	86.4	Confident	86.5	Confident	91 Å²	91	93.7 Å²	93.7	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-59	-45	176.2	-68	163.5	0	0	0	111.5	D435 V436 R441 D442 E443	D435-I439 WeakPolarHBondContact O-CD1 3.19Å; D435-I439 WeakPolarHBondContact O-CG1 3.36Å; D435-I439 PolarHBondContact O-N 3.08Å; V436-I439 PolarHBondContact O-N 2.91Å; I439-R441 VanDerWaalsContact C-N 3.34Å; I439-R441 PolarHBondContact O-N 3.18Å; I439-D442 PolarHBondContact O-N 3.38Å; I439-E443 WeakPolarHBondContact O-CB 3.44Å; I439-E443 PolarHBondContact O-N 3.45Å
440	V	89.5	Confident	86.6	Confident	73 Å²	73	91.7 Å²	91.7	44%	0.442	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-38.9	178.5	169.5	0	0	0	0	111	V436 E438 E443 L444	V436-V440 HydrophobicContact CG1-CG2 4.17Å; V436-V440 WeakPolarHBondContact O-CB 3.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.2Å; V436-V440 PolarHBondContact O-N 3.42Å; E438-V440 VanDerWaalsContact C-N 3.35Å; E438-V440 PolarHBondContact O-N 2.91Å; V440-E443 PolarHBondContact O-N 3Å; V440-L444 HydrophobicContact CG1-CD1 3.71Å; V440-L444 HydrophobicContact CG1-CG 4.26Å; V440-L444 VanDerWaalsContact O-CB 3.25Å; V440-L444 WeakPolarHBondContact O-CB 3.19Å; V440-L444 VanDerWaalsContact O-CG 3.23Å; V440-L444 WeakPolarHBondContact O-CG 3.25Å; V440-L444 PolarHBondContact O-N 3.33Å
441	R	89.1	Confident	86.8	Confident	153 Å²	153	89.3 Å²	89.3	58%	0.577	44%	0.436	S	S	*	.	H	α-helix	trans	-64	-45.5	175.1	-176.8	-170.8	-60.8	-123.3	2.2	111.2	K437 E438 I439 E443 L444 T445	K437-R441 VanDerWaalsContact O-CB 3.3Å; K437-R441 WeakPolarHBondContact O-CB 3.44Å; K437-R441 PolarHBondContact O-N 3.33Å; E438-R441 WeakPolarHBondContact O-CB 3.1Å; E438-R441 PolarHBondContact O-N 3.03Å; I439-R441 VanDerWaalsContact C-N 3.34Å; I439-R441 PolarHBondContact O-N 3.18Å; R441-E443 VanDerWaalsContact C-N 3.32Å; R441-E443 PolarHBondContact O-N 3.06Å; R441-L444 PolarHBondContact O-N 3.24Å; R441-T445 WeakPolarHBondContact O-CB 3.35Å; R441-T445 VanDerWaalsContact O-CG2 3.27Å; R441-T445 WeakPolarHBondContact O-CG2 3.36Å; R441-T445 PolarHBondContact O-N 3.28Å; R441-T445 PolarHBondContact O-OG1 3.48Å
442	D	84.7	Confident	87	Confident	69 Å²	69	88.7 Å²	88.7	37%	0.369	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.8	-84.8	10.7	0	0	0	111.3	E438 I439 T445 R446	E438-D442 PolarHBondContact O-N 3.19Å; I439-D442 PolarHBondContact O-N 3.38Å; D442-T445 WeakPolarHBondContact CA-OG1 3.24Å; D442-T445 PolarHBondContact O-OG1 3.33Å; D442-R446 WeakPolarHBondContact O-CB 3.13Å; D442-R446 PolarHBondContact O-N 3.36Å
443	E	86.7	Confident	87.2	Confident	83 Å²	83	84 Å²	84	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-73	-40.3	178.9	-158.4	60.3	-162.3	0	0	111.5	I439 V440 R441 R446 W447	I439-E443 WeakPolarHBondContact O-CB 3.44Å; I439-E443 PolarHBondContact O-N 3.45Å; V440-E443 PolarHBondContact O-N 3Å; R441-E443 VanDerWaalsContact C-N 3.32Å; R441-E443 PolarHBondContact O-N 3.06Å; E443-R446 WeakPolarHBondContact O-CB 3.34Å; E443-R446 PolarHBondContact O-N 3.22Å; E443-R446 IonicContact OE1-NH1 3.98Å; E443-R446 IonicContact OE2-NH1 3.89Å; E443-W447 PolarHBondContact O-N 2.92Å; E443-W447 PolarHBondContact OE1-NE1 3.34Å
444	L	91	Very high	87.3	Confident	115 Å²	115	83.3 Å²	83.3	60%	0.602	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-43.7	174.3	-79.7	167.8	0	0	0	112.1	V440 R441 R446 W447 C448	V440-L444 HydrophobicContact CG1-CD1 3.71Å; V440-L444 HydrophobicContact CG1-CG 4.26Å; V440-L444 VanDerWaalsContact O-CB 3.25Å; V440-L444 WeakPolarHBondContact O-CB 3.19Å; V440-L444 VanDerWaalsContact O-CG 3.23Å; V440-L444 WeakPolarHBondContact O-CG 3.25Å; V440-L444 PolarHBondContact O-N 3.33Å; R441-L444 PolarHBondContact O-N 3.24Å; L444-R446 VanDerWaalsContact C-N 3.3Å; L444-R446 PolarHBondContact O-N 2.99Å; L444-W447 PolarHBondContact O-N 3.47Å; L444-C448 VanDerWaalsContact O-CB 3.24Å; L444-C448 WeakPolarHBondContact O-CB 3.48Å; L444-C448 PolarHBondContact O-N 3Å
445	T	87.1	Confident	87.5	Confident	77 Å²	77	82.5 Å²	82.5	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176.3	51.6	0	0	0	0	110.4	R441 D442 C448 T449	R441-T445 WeakPolarHBondContact O-CB 3.35Å; R441-T445 VanDerWaalsContact O-CG2 3.27Å; R441-T445 WeakPolarHBondContact O-CG2 3.36Å; R441-T445 PolarHBondContact O-N 3.28Å; R441-T445 PolarHBondContact O-OG1 3.48Å; D442-T445 WeakPolarHBondContact CA-OG1 3.24Å; D442-T445 PolarHBondContact O-OG1 3.33Å; T445-C448 PolarHBondContact O-N 3.45Å; T445-T449 WeakPolarHBondContact O-CG2 3.21Å; T445-T449 PolarHBondContact O-N 3.11Å; T445-T449 PolarHBondContact O-OG1 3Å
446	R	85.6	Confident	87.7	Confident	77 Å²	77	81.6 Å²	81.6	29%	0.291	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174.1	-171	-176.8	-179.9	-172.4	1.6	113.4	D442 E443 L444 T449 I450	D442-R446 WeakPolarHBondContact O-CB 3.13Å; D442-R446 PolarHBondContact O-N 3.36Å; E443-R446 WeakPolarHBondContact O-CB 3.34Å; E443-R446 PolarHBondContact O-N 3.22Å; E443-R446 IonicContact OE1-NH1 3.98Å; E443-R446 IonicContact OE2-NH1 3.89Å; L444-R446 VanDerWaalsContact C-N 3.3Å; L444-R446 PolarHBondContact O-N 2.99Å; R446-T449 PolarHBondContact O-OG1 2.9Å; R446-I450 HydrophobicContact CG-CD1 4.28Å; R446-I450 WeakPolarHBondContact O-CD1 3.45Å; R446-I450 VanDerWaalsContact O-CG1 3.28Å; R446-I450 WeakPolarHBondContact O-CG1 3.25Å; R446-I450 PolarHBondContact O-N 2.84Å
447	W	88.5	Confident	87.7	Confident	162 Å²	162	82.8 Å²	82.8	61%	0.614	41%	0.407	S	S	*	.	H	α-helix	trans	-67.7	-36.9	176.2	-82	100.3	0	0	0	112.5	E443 L444 I450 C451	E443-W447 PolarHBondContact O-N 2.92Å; E443-W447 PolarHBondContact OE1-NE1 3.34Å; L444-W447 PolarHBondContact O-N 3.47Å; W447-I450 PolarHBondContact O-N 3.08Å; W447-C451 WeakPolarHBondContact O-CB 3.49Å; W447-C451 PolarHBondContact O-N 2.82Å
448	C	90.4	Very high	87.6	Confident	65 Å²	65	84.5 Å²	84.5	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-168.3	0	0	0	0	111.3	L444 T445 I450 C451 Q452	L444-C448 VanDerWaalsContact O-CB 3.24Å; L444-C448 WeakPolarHBondContact O-CB 3.48Å; L444-C448 PolarHBondContact O-N 3Å; T445-C448 PolarHBondContact O-N 3.45Å; C448-I450 PolarHBondContact O-N 2.84Å; C448-C451 PolarHBondContact O-N 3.14Å; C448-Q452 WeakPolarHBondContact O-CB 3.46Å; C448-Q452 WeakPolarHBondContact O-CG 3.25Å; C448-Q452 PolarHBondContact O-N 3.36Å
449	T	85.6	Confident	87.6	Confident	41 Å²	41	80.6 Å²	80.6	25%	0.252	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-39.7	177.9	56.9	0	0	0	0	112.5	T445 R446 Q452 Q453	T445-T449 WeakPolarHBondContact O-CG2 3.21Å; T445-T449 PolarHBondContact O-N 3.11Å; T445-T449 PolarHBondContact O-OG1 3Å; R446-T449 PolarHBondContact O-OG1 2.9Å; T449-Q452 PolarHBondContact O-N 3.34Å; T449-Q453 WeakPolarHBondContact O-CB 3.28Å; T449-Q453 PolarHBondContact O-N 2.65Å
450	I	88.1	Confident	87.5	Confident	62 Å²	62	82 Å²	82	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-44.9	174.5	-67.6	167.5	0	0	0	110.7	R446 W447 C448 Q453 Q454	R446-I450 HydrophobicContact CG-CD1 4.28Å; R446-I450 WeakPolarHBondContact O-CD1 3.45Å; R446-I450 VanDerWaalsContact O-CG1 3.28Å; R446-I450 WeakPolarHBondContact O-CG1 3.25Å; R446-I450 PolarHBondContact O-N 2.84Å; W447-I450 PolarHBondContact O-N 3.08Å; C448-I450 PolarHBondContact O-N 2.84Å; I450-Q453 PolarHBondContact O-N 2.6Å; I450-Q454 PolarHBondContact O-N 3.12Å
451	C	89.8	Confident	87.4	Confident	76 Å²	76	84.2 Å²	84.2	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-44.9	179.8	-168.2	0	0	0	0	111.8	W447 C448 Q454 Q455	W447-C451 WeakPolarHBondContact O-CB 3.49Å; W447-C451 PolarHBondContact O-N 2.82Å; C448-C451 PolarHBondContact O-N 3.14Å; C451-Q454 PolarHBondContact O-N 3.4Å; C451-Q455 PolarHBondContact O-N 3.36Å
452	Q	89.1	Confident	87.1	Confident	42 Å²	42	79.1 Å²	79.1	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-60	-48.4	174.9	-73.7	176.6	-16.5	0	0	111.1	C448 T449 Q454 Q455 L456 L476 L480	C448-Q452 WeakPolarHBondContact O-CB 3.46Å; C448-Q452 WeakPolarHBondContact O-CG 3.25Å; C448-Q452 PolarHBondContact O-N 3.36Å; T449-Q452 PolarHBondContact O-N 3.34Å; Q452-Q454 PolarHBondContact O-N 3.25Å; Q452-Q455 PolarHBondContact O-N 3.16Å; Q452-Q455 VanDerWaalsContact O-N 3.15Å; Q452-L456 PolarHBondContact O-N 3.11Å; Q452-L476 HydrophobicContact CB-CD1 4.39Å; Q452-L476 HydrophobicContact CB-CD2 4.2Å; Q452-L476 HydrophobicContact CB-CG 4.45Å; Q452-L476 HydrophobicContact CG-CD1 4.28Å; Q452-L476 VanDerWaalsContact O-CD2 3.22Å; Q452-L476 WeakPolarHBondContact O-CD2 3.47Å; Q452-L480 HydrophobicContact CB-CD1 4.4Å; Q452-L480 HydrophobicContact CB-CD2 4.22Å; Q452-L480 HydrophobicContact CB-CG 4.49Å
453	Q	87.8	Confident	87	Confident	67 Å²	67	84.7 Å²	84.7	31%	0.313	42%	0.423	S	S	.	.	H	α-helix	trans	-58.4	-38.5	177.6	-171.1	177.5	11.3	0	0	112.1	T449 I450 L456 I457	T449-Q453 WeakPolarHBondContact O-CB 3.28Å; T449-Q453 PolarHBondContact O-N 2.65Å; I450-Q453 PolarHBondContact O-N 2.6Å; Q453-L456 PolarHBondContact O-N 2.8Å; Q453-I457 HydrophobicContact CG-CD1 4.39Å; Q453-I457 WeakPolarHBondContact O-CG1 3.5Å; Q453-I457 PolarHBondContact O-N 3.17Å; Q453-I457 VanDerWaalsContact O-N 3.15Å
454	Q	87.7	Confident	86.7	Confident	102 Å²	102	89.1 Å²	89.1	48%	0.477	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-40.5	177.1	-172	134.7	-0.4	0	0	112.7	I450 C451 Q452 L456 I457 Q458	I450-Q454 PolarHBondContact O-N 3.12Å; C451-Q454 PolarHBondContact O-N 3.4Å; Q452-Q454 PolarHBondContact O-N 3.25Å; Q454-L456 VanDerWaalsContact C-N 3.31Å; Q454-L456 PolarHBondContact O-N 3.19Å; Q454-I457 PolarHBondContact O-N 2.91Å; Q454-Q458 WeakPolarHBondContact O-CG 3.42Å; Q454-Q458 PolarHBondContact O-N 3.24Å; Q454-Q458 VanDerWaalsContact O-N 3.08Å
455	Q	88	Confident	86.3	Confident	88 Å²	88	85.1 Å²	85.1	41%	0.411	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-39.2	173	-97.6	176.9	-26.9	0	0	112	C451 Q452 I457 Q458 L459	C451-Q455 PolarHBondContact O-N 3.36Å; Q452-Q455 PolarHBondContact O-N 3.16Å; Q452-Q455 VanDerWaalsContact O-N 3.15Å; Q455-I457 PolarHBondContact O-N 2.94Å; Q455-Q458 PolarHBondContact O-N 2.93Å; Q455-L459 WeakPolarHBondContact O-CG 3.21Å; Q455-L459 PolarHBondContact O-N 3.49Å
456	L	86.2	Confident	86.3	Confident	24 Å²	24	87.3 Å²	87.3	13%	0.126	43%	0.432	C	S	.	.	H	α-helix	trans	-60.7	-47	176.6	-171.8	63.7	0	0	0	111.9	Q452 Q453 Q454 Q458 L459 Q460 R473 L476 E477 L480	Q452-L456 PolarHBondContact O-N 3.11Å; Q453-L456 PolarHBondContact O-N 2.8Å; Q454-L456 VanDerWaalsContact C-N 3.31Å; Q454-L456 PolarHBondContact O-N 3.19Å; L456-Q458 VanDerWaalsContact C-N 3.29Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-L459 PolarHBondContact O-N 3.32Å; L456-Q460 WeakPolarHBondContact O-CB 3.35Å; L456-Q460 PolarHBondContact O-N 2.93Å; L456-R473 HydrophobicContact CD1-CG 3.59Å; L456-L476 HydrophobicContact CB-CD2 3.61Å; L456-L476 HydrophobicContact CD1-CD2 4.08Å; L456-L476 HydrophobicContact CG-CD2 4.3Å; L456-E477 HydrophobicContact CD1-CG 3.46Å; L456-E477 VanDerWaalsContact CD1-CG 3.46Å; L456-E477 HydrophobicContact CD2-CG 3.89Å; L456-E477 HydrophobicContact CG-CG 4.29Å; L456-L480 HydrophobicContact CB-CD1 4.37Å; L456-L480 HydrophobicContact CD2-CD1 3.89Å
457	I	87	Confident	86.3	Confident	72 Å²	72	93.1 Å²	93.1	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-40.2	177.5	-67.1	164.6	0	0	0	110.9	Q453 Q454 Q455 Q460 N461	Q453-I457 HydrophobicContact CG-CD1 4.39Å; Q453-I457 WeakPolarHBondContact O-CG1 3.5Å; Q453-I457 PolarHBondContact O-N 3.17Å; Q453-I457 VanDerWaalsContact O-N 3.15Å; Q454-I457 PolarHBondContact O-N 2.91Å; Q455-I457 PolarHBondContact O-N 2.94Å; I457-Q460 PolarHBondContact O-N 3.06Å; I457-N461 PolarHBondContact O-N 3.38Å; I457-N461 VanDerWaalsContact O-N 3.13Å; I457-N461 PolarHBondContact O-ND2 2.93Å
458	Q	86.6	Confident	86.1	Confident	128 Å²	128	87.7 Å²	87.7	60%	0.598	45%	0.448	S	S	*	.	H	α-helix	trans	-63.1	-45.2	175.7	-73.2	-177.3	-5.3	0	0	112.1	Q454 Q455 L456 N461 S462	Q454-Q458 WeakPolarHBondContact O-CG 3.42Å; Q454-Q458 PolarHBondContact O-N 3.24Å; Q454-Q458 VanDerWaalsContact O-N 3.08Å; Q455-Q458 PolarHBondContact O-N 2.93Å; L456-Q458 VanDerWaalsContact C-N 3.29Å; L456-Q458 PolarHBondContact O-N 2.89Å; Q458-N461 PolarHBondContact O-N 3.09Å; Q458-S462 PolarHBondContact O-N 3.18Å
459	L	85.3	Confident	85.9	Confident	25 Å²	25	88.5 Å²	88.5	13%	0.131	45%	0.446	C	S	.	.	H	α-helix	trans	-64.8	-39.1	177.1	-69.9	167.4	0	0	0	111.5	Q455 L456 N461 S462 L465 Q469 F472 R473	Q455-L459 WeakPolarHBondContact O-CG 3.21Å; Q455-L459 PolarHBondContact O-N 3.49Å; L456-L459 PolarHBondContact O-N 3.32Å; L459-N461 VanDerWaalsContact C-N 3.34Å; L459-N461 PolarHBondContact O-N 2.9Å; L459-S462 PolarHBondContact O-N 3.47Å; L459-S462 PolarHBondContact O-OG 2.95Å; L459-L465 HydrophobicContact CB-CD2 4.29Å; L459-L465 HydrophobicContact CD2-CD2 3.5Å; L459-L465 VanDerWaalsContact CD2-CD2 3.5Å; L459-L465 HydrophobicContact CG-CD2 4.49Å; L459-Q469 HydrophobicContact CD2-CB 4.44Å; L459-F472 HydrophobicContact CD1-CD1 3.86Å; L459-F472 HydrophobicContact CD1-CE1 4.19Å; L459-R473 HydrophobicContact CB-CG 4.12Å; L459-R473 HydrophobicContact CD1-CB 4.26Å; L459-R473 HydrophobicContact CD1-CG 4.38Å
460	Q	84.8	Confident	85.8	Confident	121 Å²	121	89.9 Å²	89.9	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-66.2	-34	179.5	-172	162.4	-12.8	0	0	113.2	L456 I457 S462	L456-Q460 WeakPolarHBondContact O-CB 3.35Å; L456-Q460 PolarHBondContact O-N 2.93Å; I457-Q460 PolarHBondContact O-N 3.06Å; Q460-S462 VanDerWaalsContact C-N 3.3Å; Q460-S462 PolarHBondContact O-N 3.04Å
461	N	86	Confident	85.7	Confident	120 Å²	120	91.8 Å²	91.8	64%	0.642	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.9	177.3	-70.8	-21.7	0	0	0	114	I457 Q458 L459	I457-N461 PolarHBondContact O-N 3.38Å; I457-N461 VanDerWaalsContact O-N 3.13Å; I457-N461 PolarHBondContact O-ND2 2.93Å; Q458-N461 PolarHBondContact O-N 3.09Å; L459-N461 VanDerWaalsContact C-N 3.34Å; L459-N461 PolarHBondContact O-N 2.9Å
462	S	84.1	Confident	85.5	Confident	45 Å²	45	92.4 Å²	92.4	32%	0.315	45%	0.453	S	S	.	.			trans	-87.9	128	-179	69.7	0	0	0	0	112.1	Q458 L459 Q460 L465	Q458-S462 PolarHBondContact O-N 3.18Å; L459-S462 PolarHBondContact O-N 3.47Å; L459-S462 PolarHBondContact O-OG 2.95Å; Q460-S462 VanDerWaalsContact C-N 3.3Å; Q460-S462 PolarHBondContact O-N 3.04Å; S462-L465 WeakPolarHBondContact OG-CD2 3.38Å; S462-L465 VanDerWaalsContact OG-CG 3.28Å; S462-L465 WeakPolarHBondContact OG-CG 3.5Å
463	H	81.1	Confident	85.3	Confident	186 Å²	186	93.2 Å²	93.2	86%	0.861	45%	0.454	S	S	*	.	S	Bend	trans	-81.7	-15.5	-175.3	-73.7	-77.3	0	0	0	114.7
464	H	82	Confident	85.1	Confident	176 Å²	176	95.5 Å²	95.5	82%	0.815	47%	0.465	S	S	*	.			trans	-134.6	94.8	179.2	-78.5	-79.3	0	0	0	110.1
465	L	81.2	Confident	85	Confident	32 Å²	32	96.1 Å²	96.1	17%	0.168	47%	0.468	C	S	.	.			trans	-98.4	132.5	172.5	-72	146.4	0	0	0	109.1	L459 S462 Q469 L470	L459-L465 HydrophobicContact CB-CD2 4.29Å; L459-L465 HydrophobicContact CD2-CD2 3.5Å; L459-L465 VanDerWaalsContact CD2-CD2 3.5Å; L459-L465 HydrophobicContact CG-CD2 4.49Å; S462-L465 WeakPolarHBondContact OG-CD2 3.38Å; S462-L465 VanDerWaalsContact OG-CG 3.28Å; S462-L465 WeakPolarHBondContact OG-CG 3.5Å; L465-Q469 HydrophobicContact CB-CB 4.19Å; L465-Q469 HydrophobicContact CD2-CB 3.52Å; L465-Q469 HydrophobicContact CD2-CG 4.46Å; L465-Q469 HydrophobicContact CG-CB 4.49Å; L465-L470 HydrophobicContact CB-CD1 3.73Å; L465-L470 HydrophobicContact CB-CG 4.4Å
466	N	87.6	Confident	84.9	Confident	123 Å²	123	92.2 Å²	92.2	66%	0.658	45%	0.449	S	S	*	.			trans	-70.8	159.3	168.5	-70	-23.7	0	0	0	110.1	G468 Q469 L470	N466-G468 VanDerWaalsContact C-N 3.26Å; N466-G468 PolarHBondContact O-N 3.3Å; N466-G468 VanDerWaalsContact O-N 3.15Å; N466-Q469 WeakPolarHBondContact O-CA 3.39Å; N466-Q469 WeakPolarHBondContact O-CB 3.21Å; N466-Q469 PolarHBondContact O-N 3.22Å; N466-L470 PolarHBondContact O-N 2.85Å; N466-L470 VanDerWaalsContact O-N 3.1Å
467	R	84.5	Confident	84.8	Confident	199 Å²	199	94.5 Å²	94.5	75%	0.751	46%	0.459	S	S	*	.	H	α-helix	trans	-48.8	-45.3	-179.3	-177.9	177.8	173.3	164.6	3.5	113.3	Q469 L470 E471	R467-Q469 VanDerWaalsContact C-N 3.29Å; R467-Q469 PolarHBondContact O-N 3.39Å; R467-L470 PolarHBondContact O-N 2.86Å; R467-E471 IonicContact CZ-OE1 3.88Å; R467-E471 IonicContact NE-OE1 3.03Å; R467-E471 PolarHBondContact NE-OE1 2.95Å; R467-E471 IonicContact NH2-OE1 3.82Å; R467-E471 PolarHBondContact O-N 2.98Å; R467-E471 VanDerWaalsContact O-N 3.09Å
468	G	85.4	Confident	84.6	Confident	48 Å²	48	98 Å²	98	50%	0.495	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-27.5	177.6	0	0	0	0	0	114.3	N466 F472	N466-G468 VanDerWaalsContact C-N 3.26Å; N466-G468 PolarHBondContact O-N 3.3Å; N466-G468 VanDerWaalsContact O-N 3.15Å; G468-F472 WeakPolarHBondContact O-CB 3.23Å; G468-F472 PolarHBondContact O-N 2.95Å; G468-F472 VanDerWaalsContact O-N 3.1Å
469	Q	85.9	Confident	84.4	Confident	82 Å²	82	95.6 Å²	95.6	38%	0.383	46%	0.46	S	S	.	.	H	α-helix	trans	-79.1	-29.6	175.3	-63.2	176.4	-55	0	0	112.4	L459 L465 N466 R467 R473	L459-Q469 HydrophobicContact CD2-CB 4.44Å; L465-Q469 HydrophobicContact CB-CB 4.19Å; L465-Q469 HydrophobicContact CD2-CB 3.52Å; L465-Q469 HydrophobicContact CD2-CG 4.46Å; L465-Q469 HydrophobicContact CG-CB 4.49Å; N466-Q469 WeakPolarHBondContact O-CA 3.39Å; N466-Q469 WeakPolarHBondContact O-CB 3.21Å; N466-Q469 PolarHBondContact O-N 3.22Å; R467-Q469 VanDerWaalsContact C-N 3.29Å; R467-Q469 PolarHBondContact O-N 3.39Å; Q469-R473 WeakPolarHBondContact O-CB 3.21Å; Q469-R473 PolarHBondContact O-N 3.17Å
470	L	84.5	Confident	84.3	Confident	69 Å²	69	94.8 Å²	94.8	36%	0.361	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-48.8	170.1	-102	114.6	0	0	0	111.1	L465 N466 R467 F472 R473 E474	L465-L470 HydrophobicContact CB-CD1 3.73Å; L465-L470 HydrophobicContact CB-CG 4.4Å; N466-L470 PolarHBondContact O-N 2.85Å; N466-L470 VanDerWaalsContact O-N 3.1Å; R467-L470 PolarHBondContact O-N 2.86Å; L470-F472 VanDerWaalsContact C-N 3.32Å; L470-F472 PolarHBondContact O-N 2.97Å; L470-R473 WeakPolarHBondContact O-CB 3.44Å; L470-R473 PolarHBondContact O-N 3.39Å; L470-R473 VanDerWaalsContact O-N 3.12Å; L470-E474 PolarHBondContact O-N 2.89Å
471	E	85.1	Confident	83.9	Confident	103 Å²	103	92.4 Å²	92.4	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-58.8	-44	177.5	-70.4	170.8	-170.9	0	0	110.8	R467 R473 E474 E475	R467-E471 IonicContact CZ-OE1 3.88Å; R467-E471 IonicContact NE-OE1 3.03Å; R467-E471 PolarHBondContact NE-OE1 2.95Å; R467-E471 IonicContact NH2-OE1 3.82Å; R467-E471 PolarHBondContact O-N 2.98Å; R467-E471 VanDerWaalsContact O-N 3.09Å; E471-R473 PolarHBondContact O-N 2.82Å; E471-E474 PolarHBondContact O-N 3.48Å; E471-E475 PolarHBondContact O-N 3.45Å
472	F	86.1	Confident	83.3	Confident	89 Å²	89	89.2 Å²	89.2	39%	0.39	43%	0.432	S	S	.	.	H	α-helix	trans	-64.8	-37.6	175	-176.6	-105.7	0	0	0	113.2	L459 G468 L470 E475 L476	L459-F472 HydrophobicContact CD1-CD1 3.86Å; L459-F472 HydrophobicContact CD1-CE1 4.19Å; G468-F472 WeakPolarHBondContact O-CB 3.23Å; G468-F472 PolarHBondContact O-N 2.95Å; G468-F472 VanDerWaalsContact O-N 3.1Å; L470-F472 VanDerWaalsContact C-N 3.32Å; L470-F472 PolarHBondContact O-N 2.97Å; F472-E475 PolarHBondContact O-N 3.5Å; F472-L476 HydrophobicContact CE1-CD1 3.87Å; F472-L476 HydrophobicContact CE2-CD1 4.4Å; F472-L476 HydrophobicContact CZ-CD1 3.66Å; F472-L476 WeakPolarHBondContact O-CB 3.37Å; F472-L476 PolarHBondContact O-N 2.88Å
473	R	84.8	Confident	82.7	Confident	58 Å²	58	91.1 Å²	91.1	22%	0.219	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-45.8	176.4	-165.8	179.6	76.4	-170.1	-0.6	111	L456 L459 Q469 L470 E471 L476 E477	L456-R473 HydrophobicContact CD1-CG 3.59Å; L459-R473 HydrophobicContact CB-CG 4.12Å; L459-R473 HydrophobicContact CD1-CB 4.26Å; L459-R473 HydrophobicContact CD1-CG 4.38Å; Q469-R473 WeakPolarHBondContact O-CB 3.21Å; Q469-R473 PolarHBondContact O-N 3.17Å; L470-R473 WeakPolarHBondContact O-CB 3.44Å; L470-R473 PolarHBondContact O-N 3.39Å; L470-R473 VanDerWaalsContact O-N 3.12Å; E471-R473 PolarHBondContact O-N 2.82Å; R473-L476 PolarHBondContact O-N 3.03Å; R473-E477 IonicContact NE-OE1 3.57Å; R473-E477 WeakPolarHBondContact O-CG 3.44Å; R473-E477 PolarHBondContact O-N 2.85Å
474	E	84.3	Confident	81.9	Confident	116 Å²	116	87 Å²	87	54%	0.542	42%	0.416	S	S	.	.	H	α-helix	trans	-61.7	-41.9	177.2	-71.4	176.7	-175.6	0	0	111.9	L470 E471 L476 E477 Y478	L470-E474 PolarHBondContact O-N 2.89Å; E471-E474 PolarHBondContact O-N 3.48Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.05Å; E474-E477 PolarHBondContact O-N 3.46Å; E474-Y478 WeakPolarHBondContact O-CB 3.25Å; E474-Y478 PolarHBondContact O-N 2.88Å
475	E	85.2	Confident	80.7	Confident	115 Å²	115	83.1 Å²	83.1	54%	0.537	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-41.8	175.6	-170.9	178	-169.7	0	0	111.6	E471 F472 Y478 L479	E471-E475 PolarHBondContact O-N 3.45Å; F472-E475 PolarHBondContact O-N 3.5Å; E475-Y478 WeakPolarHBondContact O-CB 3.22Å; E475-Y478 PolarHBondContact O-N 3.36Å; E475-L479 HydrophobicContact CG-CD1 4.41Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.34Å
476	L	85.4	Confident	79.5	Confident	6 Å²	6	86.6 Å²	86.6	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-72.2	-36.8	-179.4	-154.7	123	0	0	0	112.1	Q452 L456 F472 R473 E474 Y478 L479 L480	Q452-L476 HydrophobicContact CB-CD1 4.39Å; Q452-L476 HydrophobicContact CB-CD2 4.2Å; Q452-L476 HydrophobicContact CB-CG 4.45Å; Q452-L476 HydrophobicContact CG-CD1 4.28Å; Q452-L476 VanDerWaalsContact O-CD2 3.22Å; Q452-L476 WeakPolarHBondContact O-CD2 3.47Å; L456-L476 HydrophobicContact CB-CD2 3.61Å; L456-L476 HydrophobicContact CD1-CD2 4.08Å; L456-L476 HydrophobicContact CG-CD2 4.3Å; F472-L476 HydrophobicContact CE1-CD1 3.87Å; F472-L476 HydrophobicContact CE2-CD1 4.4Å; F472-L476 HydrophobicContact CZ-CD1 3.66Å; F472-L476 WeakPolarHBondContact O-CB 3.37Å; F472-L476 PolarHBondContact O-N 2.88Å; R473-L476 PolarHBondContact O-N 3.03Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.05Å; L476-Y478 VanDerWaalsContact C-N 3.33Å; L476-L479 PolarHBondContact O-N 3.46Å; L476-L480 HydrophobicContact CD2-CD1 3.69Å; L476-L480 HydrophobicContact CG-CD1 4.43Å; L476-L480 WeakPolarHBondContact O-CB 3.3Å; L476-L480 WeakPolarHBondContact O-CG 3.39Å; L476-L480 PolarHBondContact O-N 2.86Å
477	E	83	Confident	77.9	Confident	71 Å²	71	85.6 Å²	85.6	33%	0.332	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-43.8	168.8	-74.3	177.9	-165.2	0	0	111	L456 R473 E474 T481	L456-E477 HydrophobicContact CD1-CG 3.46Å; L456-E477 VanDerWaalsContact CD1-CG 3.46Å; L456-E477 HydrophobicContact CD2-CG 3.89Å; L456-E477 HydrophobicContact CG-CG 4.29Å; R473-E477 IonicContact NE-OE1 3.57Å; R473-E477 WeakPolarHBondContact O-CG 3.44Å; R473-E477 PolarHBondContact O-N 2.85Å; E474-E477 PolarHBondContact O-N 3.46Å; E477-T481 VanDerWaalsContact O-CB 3.3Å; E477-T481 WeakPolarHBondContact O-CB 3.27Å; E477-T481 VanDerWaalsContact O-CG2 3.24Å; E477-T481 WeakPolarHBondContact O-CG2 3.24Å; E477-T481 PolarHBondContact O-N 3.39Å; E477-T481 PolarHBondContact O-OG1 2.87Å
478	Y	82.9	Confident	75.9	Confident	146 Å²	146	81.5 Å²	81.5	57%	0.573	41%	0.407	S	S	*	.	H	α-helix	trans	-63.8	-46.2	177.2	179.2	-103.3	0	0	0	112.7	E474 E475 L476 T481 N482	E474-Y478 WeakPolarHBondContact O-CB 3.25Å; E474-Y478 PolarHBondContact O-N 2.88Å; E475-Y478 WeakPolarHBondContact O-CB 3.22Å; E475-Y478 PolarHBondContact O-N 3.36Å; L476-Y478 VanDerWaalsContact C-N 3.33Å; Y478-T481 WeakPolarHBondContact CA-OG1 3.23Å; Y478-T481 PolarHBondContact O-N 3.42Å; Y478-T481 PolarHBondContact O-OG1 3.48Å; Y478-N482 WeakPolarHBondContact CE1-ND2 3.28Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.44Å; Y478-N482 WeakPolarHBondContact O-CB 3.48Å; Y478-N482 PolarHBondContact O-N 3.34Å; Y478-N482 PolarHBondContact O-ND2 3.34Å; Y478-N482 PolarHBondContact OH-ND2 2.89Å
479	L	83	Confident	74.1	Confident	77 Å²	77	84.1 Å²	84.1	40%	0.403	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-45.5	178.6	-72.8	174.5	0	0	0	112.1	E475 L476 Q483	E475-L479 HydrophobicContact CG-CD1 4.41Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.34Å; L476-L479 PolarHBondContact O-N 3.46Å; L479-Q483 WeakPolarHBondContact O-CG 3.36Å; L479-Q483 PolarHBondContact O-N 3.03Å; L479-Q483 VanDerWaalsContact O-N 3.15Å
480	L	82.5	Confident	72.1	Confident	9 Å²	9	86.7 Å²	86.7	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-66.1	-44.7	178.1	-76	165.7	0	0	0	111.1	Q452 L456 L476 N482 Q483 F484	Q452-L480 HydrophobicContact CB-CD1 4.4Å; Q452-L480 HydrophobicContact CB-CD2 4.22Å; Q452-L480 HydrophobicContact CB-CG 4.49Å; L456-L480 HydrophobicContact CB-CD1 4.37Å; L456-L480 HydrophobicContact CD2-CD1 3.89Å; L476-L480 HydrophobicContact CD2-CD1 3.69Å; L476-L480 HydrophobicContact CG-CD1 4.43Å; L476-L480 WeakPolarHBondContact O-CB 3.3Å; L476-L480 WeakPolarHBondContact O-CG 3.39Å; L476-L480 PolarHBondContact O-N 2.86Å; L480-N482 PolarHBondContact O-N 3.06Å; L480-Q483 PolarHBondContact O-N 2.95Å; L480-F484 HydrophobicContact CB-CD2 4.5Å; L480-F484 HydrophobicContact CB-CE2 4.42Å; L480-F484 WeakPolarHBondContact O-CD2 3.41Å; L480-F484 PolarHBondContact O-N 3.21Å
481	T	77.9	Confident	69.9	Low	70 Å²	70	88 Å²	88	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-61.4	-42.2	179.2	46.7	0	0	0	0	112.3	E477 Y478 F484 I485	E477-T481 VanDerWaalsContact O-CB 3.3Å; E477-T481 WeakPolarHBondContact O-CB 3.27Å; E477-T481 VanDerWaalsContact O-CG2 3.24Å; E477-T481 WeakPolarHBondContact O-CG2 3.24Å; E477-T481 PolarHBondContact O-N 3.39Å; E477-T481 PolarHBondContact O-OG1 2.87Å; Y478-T481 WeakPolarHBondContact CA-OG1 3.23Å; Y478-T481 PolarHBondContact O-N 3.42Å; Y478-T481 PolarHBondContact O-OG1 3.48Å; T481-F484 PolarHBondContact O-N 2.94Å; T481-I485 VanDerWaalsContact O-CG1 3.25Å; T481-I485 WeakPolarHBondContact O-CG1 3.45Å; T481-I485 PolarHBondContact O-N 3.36Å
482	N	73.3	Confident	67.5	Low	54 Å²	54	88.4 Å²	88.4	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-42.3	175	-73.8	-19.6	0	0	0	112.6	Y478 L480 F484 I485 D486	Y478-N482 WeakPolarHBondContact CE1-ND2 3.28Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.44Å; Y478-N482 WeakPolarHBondContact O-CB 3.48Å; Y478-N482 PolarHBondContact O-N 3.34Å; Y478-N482 PolarHBondContact O-ND2 3.34Å; Y478-N482 PolarHBondContact OH-ND2 2.89Å; L480-N482 PolarHBondContact O-N 3.06Å; N482-F484 VanDerWaalsContact C-N 3.3Å; N482-F484 PolarHBondContact O-N 3.27Å; N482-I485 PolarHBondContact O-N 3.47Å; N482-D486 PolarHBondContact O-N 2.96Å
483	Q	71.3	Confident	65.5	Low	85 Å²	85	92.1 Å²	92.1	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-35.4	174.6	-75.8	-176.6	-17.4	0	0	112.9	L479 L480 N487	L479-Q483 WeakPolarHBondContact O-CG 3.36Å; L479-Q483 PolarHBondContact O-N 3.03Å; L479-Q483 VanDerWaalsContact O-N 3.15Å; L480-Q483 PolarHBondContact O-N 2.95Å; Q483-N487 PolarHBondContact O-N 3.21Å; Q483-N487 PolarHBondContact O-ND2 2.99Å
484	F	63.5	Low	63.2	Low	98 Å²	98	95.1 Å²	95.1	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-70.8	-37	173.9	-79.2	-67.7	0	0	0	112.5	L480 T481 N482 N487 N488	L480-F484 HydrophobicContact CB-CD2 4.5Å; L480-F484 HydrophobicContact CB-CE2 4.42Å; L480-F484 WeakPolarHBondContact O-CD2 3.41Å; L480-F484 PolarHBondContact O-N 3.21Å; T481-F484 PolarHBondContact O-N 2.94Å; N482-F484 VanDerWaalsContact C-N 3.3Å; N482-F484 PolarHBondContact O-N 3.27Å; F484-N487 PolarHBondContact O-N 3.37Å; F484-N488 PolarHBondContact O-N 3.19Å
485	I	57.8	Low	60.9	Low	96 Å²	96	94.9 Å²	94.9	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-47.1	175.3	-70.1	164.1	0	0	0	109.9	T481 N482 N487 N488 T489	T481-I485 VanDerWaalsContact O-CG1 3.25Å; T481-I485 WeakPolarHBondContact O-CG1 3.45Å; T481-I485 PolarHBondContact O-N 3.36Å; N482-I485 PolarHBondContact O-N 3.47Å; I485-N487 VanDerWaalsContact C-N 3.28Å; I485-N487 PolarHBondContact O-N 2.95Å; I485-N488 PolarHBondContact O-N 3Å; I485-T489 PolarHBondContact O-N 3.49Å; I485-T489 PolarHBondContact O-OG1 3.28Å
486	D	55.3	Low	58.6	Low	104 Å²	104	96 Å²	96	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-34.2	178.4	-73	-18.6	0	0	0	112.9	N482 T489	N482-D486 PolarHBondContact O-N 2.96Å; D486-T489 PolarHBondContact O-OG1 3.3Å
487	N	53.8	Low	56.2	Low	103 Å²	103	102.1 Å²	102.1	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-76.2	-35.4	176.3	-82	-28.5	0	0	0	113.2	Q483 F484 I485 N490 T491	Q483-N487 PolarHBondContact O-N 3.21Å; Q483-N487 PolarHBondContact O-ND2 2.99Å; F484-N487 PolarHBondContact O-N 3.37Å; I485-N487 VanDerWaalsContact C-N 3.28Å; I485-N487 PolarHBondContact O-N 2.95Å; N487-N490 PolarHBondContact O-N 3.01Å; N487-T491 PolarHBondContact O-N 3.09Å; N487-T491 PolarHBondContact O-OG1 3.01Å
488	N	43.4	Very low	53.7	Low	112 Å²	112	104.9 Å²	104.9	60%	0.599	57%	0.57	S	S	*	*	H	α-helix	trans	-76	-30.4	179.5	-81.2	-15.3	0	0	0	112.8	F484 I485 N490 T491	F484-N488 PolarHBondContact O-N 3.19Å; I485-N488 PolarHBondContact O-N 3Å; N488-N490 PolarHBondContact O-N 3.18Å; N488-T491 PolarHBondContact O-N 3.5Å; N488-T491 VanDerWaalsContact O-N 3.09Å
489	T	46.5	Very low	51.3	Low	103 Å²	103	103.2 Å²	103.2	63%	0.632	58%	0.575	S	S	*	*	H	α-helix	trans	-61.9	-23.9	172.2	44.7	0	0	0	0	112.7	I485 D486	I485-T489 PolarHBondContact O-N 3.49Å; I485-T489 PolarHBondContact O-OG1 3.28Å; D486-T489 PolarHBondContact O-OG1 3.3Å
490	N	44.5	Very low	49	Very low	136 Å²	136	109.9 Å²	109.9	73%	0.727	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.7	176.4	-69.2	-22.9	0	0	0	114.2	N487 N488	N487-N490 PolarHBondContact O-N 3.01Å; N488-N490 PolarHBondContact O-N 3.18Å
491	T	37.8	Very low	46.8	Very low	97 Å²	97	116.7 Å²	116.7	60%	0.595	63%	0.633	S	S	*	*	S	Bend	trans	-129	65.8	-176.1	-25	0	0	0	0	111.5	N487 N488	N487-T491 PolarHBondContact O-N 3.09Å; N487-T491 PolarHBondContact O-OG1 3.01Å; N488-T491 PolarHBondContact O-N 3.5Å; N488-T491 VanDerWaalsContact O-N 3.09Å
492	T	36.2	Very low	44.5	Very low	111 Å²	111	118 Å²	118	68%	0.681	64%	0.641	S	S	*	*			trans	35.5	111.6	157.1	56.9	0	0	0	0	119	T494	T492-T494 PolarHBondContact O-N 3.02Å
493	N	43.7	Very low	42.6	Very low	167 Å²	167	119.5 Å²	119.5	89%	0.893	65%	0.652	S	S	*	*			trans	9.7	84.2	134.7	-65	-12	0	0	0	115.9
494	T	35.1	Very low	40.9	Very low	121 Å²	121	122.2 Å²	122.2	74%	0.742	66%	0.66	S	S	*	*			trans	-155.4	89.5	150.4	-7.4	0	0	0	0	110.6	T492	T492-T494 PolarHBondContact O-N 3.02Å
495	T	35.9	Very low	39.5	Very low	111 Å²	111	124 Å²	124	68%	0.681	67%	0.674	S	S	*	*			trans	34.2	118.4	136.8	54.6	0	0	0	0	120
496	N	36.9	Very low	38.3	Very low	138 Å²	138	125.8 Å²	125.8	74%	0.738	68%	0.68	S	S	*	*				72.3	113.5	126.4	-60.5	-5.8	0	0	0	119.3
497	N	35	Very low	37.5	Very low	136 Å²	136	124.9 Å²	124.9	73%	0.727	68%	0.676	S	S	*	*			trans	81.1	117.2	134.4	-68.5	-5.6	0	0	0	119
498	T	31.8	Very low	36.6	Very low	129 Å²	129	128.9 Å²	128.9	79%	0.791	69%	0.688	S	S	*	*			trans	88.3	136.1	138.8	52.8	0	0	0	0	119.7
499	T	32.4	Very low	36.2	Very low	111 Å²	111	131.2 Å²	131.2	68%	0.681	70%	0.695	S	S	*	*			trans	89	92.4	158.1	14	0	0	0	0	118.6	N501	T499-N501 PolarHBondContact O-N 2.93Å
500	Y	34	Very low	35.9	Very low	216 Å²	216	134.8 Å²	134.8	85%	0.847	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.5	127.1	148	-63.8	-93.1	0	0	0	110.8
501	N	36.3	Very low	35.9	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.9	-1.9	165.5	-63.8	-14.5	0	0	0	117.9	T499	T499-N501 PolarHBondContact O-N 2.93Å
502	T	29.9	Very low	35.7	Very low	97 Å²	97	138 Å²	138	60%	0.595	70%	0.699	S	S	*	*	S	Bend	trans	-113.1	-1.5	170.9	38.1	0	0	0	0	115.1
503	T	34.6	Very low	36	Very low	86 Å²	86	138 Å²	138	53%	0.528	70%	0.702	S	S	.	*	H	α-helix	trans	-76.7	-20.9	176.9	34.8	0	0	0	0	114.3	N505 N507	T503-N505 VanDerWaalsContact C-N 3.32Å; T503-N505 PolarHBondContact O-N 3.25Å; T503-N507 PolarHBondContact O-N 3.42Å
504	Y	35.5	Very low	36	Very low	142 Å²	142	138.7 Å²	138.7	56%	0.557	70%	0.697	S	S	*	*	H	α-helix	trans	-70.6	-27.9	179.2	-136.8	-89.9	0	0	0	113
505	N	32.5	Very low	36.4	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	70%	0.7	S	S	*	*	H	α-helix	trans	-93.8	-29.4	178.5	-77.7	-19.3	0	0	0	113.5	T503	T503-N505 VanDerWaalsContact C-N 3.32Å; T503-N505 PolarHBondContact O-N 3.25Å
506	Q	34	Very low	37	Very low	132 Å²	132	143.2 Å²	143.2	62%	0.617	70%	0.702	S	S	*	*	H	α-helix	trans	-75.1	-25.3	178.4	-76.2	-173.6	-15.5	0	0	113.9
507	N	38.4	Very low	37.3	Very low	86 Å²	86	140 Å²	140	46%	0.46	69%	0.689	S	S	.	*	H	α-helix	trans	-81.7	-13.7	-179	-74.7	-7.7	0	0	0	114.1	T503 E509	T503-N507 PolarHBondContact O-N 3.42Å; N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact O-N 3.47Å
508	K	34.3	Very low	37.8	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	67%	0.666	S	S	*	*	H	α-helix	trans	-69.7	-26.6	173.2	-141	178.2	-173.9	179.3	0	112
509	E	35.6	Very low	38.7	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	66%	0.659	S	S	*	*	H	α-helix	trans	-86.1	-20.9	179.4	-69.4	-167.6	154.7	0	0	114.3	N507	N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact O-N 3.47Å
510	K	39	Very low	39.8	Very low	178 Å²	178	132.6 Å²	132.6	77%	0.774	65%	0.645	S	S	*	*	H	α-helix	trans	-97.8	-16.7	-173.5	-79.1	-172.1	178.2	179.8	0	116.3	R512	K510-R512 PolarHBondContact O-N 3.46Å
511	L	44.6	Very low	41.1	Very low	94 Å²	94	128.2 Å²	128.2	49%	0.492	63%	0.632	S	S	.	*			trans	-87	59.9	167.7	-77	139.8	0	0	0	109.8
512	R	34.3	Very low	42.7	Very low	205 Å²	205	121.4 Å²	121.4	77%	0.774	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-59	132.2	155.8	-68.3	-175.5	-178.3	-170.8	-0.9	105.7	K510 K514	K510-R512 PolarHBondContact O-N 3.46Å; R512-K514 PolarHBondContact O-N 3.41Å
513	P	42.1	Very low	45.1	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-49.9	125.4	172.9	20.6	-30.3	0	0	0	107.1	R515	P513-R515 PolarHBondContact O-N 2.91Å
514	K	44.1	Very low	47.6	Very low	181 Å²	181	119.1 Å²	119.1	79%	0.787	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-48.3	123.2	169.1	-77.1	177.7	-179.6	171.2	0	104.9	R512	R512-K514 PolarHBondContact O-N 3.41Å
515	R	43.6	Very low	50	Low	218 Å²	218	112.6 Å²	112.6	82%	0.823	55%	0.548	S	S	*	.			trans	-44.7	142.1	-179.4	-69.9	174.7	-179.5	162.7	-1	108.3	P513	P513-R515 PolarHBondContact O-N 2.91Å
516	P	48.3	Very low	52.6	Low	109 Å²	109	109.5 Å²	109.5	71%	0.708	53%	0.534	S	S	*	.			trans	-50	132.7	-178.5	20.4	-31.4	0	0	0	109.1	G518	P516-G518 PolarHBondContact O-N 3.25Å
517	P	43.6	Very low	55.3	Low	71 Å²	71	110.6 Å²	110.6	46%	0.461	53%	0.534	S	S	.	.	S	Bend	trans	-58.2	111.8	174.8	24.8	-31	0	0	0	106.6
518	G	46	Very low	57.8	Low	25 Å²	25	106.5 Å²	106.5	26%	0.258	51%	0.512	S	S	.	.			trans	178.2	-1.3	-166	0	0	0	0	0	117.7	P516 I520	P516-G518 PolarHBondContact O-N 3.25Å; G518-I520 PolarHBondContact O-N 3.45Å
519	L	50.7	Low	60.6	Low	121 Å²	121	101 Å²	101	63%	0.634	49%	0.486	S	S	*	.			trans	-77.6	57.5	164.9	-120.8	132.7	0	0	0	108.9	E521	L519-E521 PolarHBondContact O-N 2.94Å
520	I	55.4	Low	63.2	Low	75 Å²	75	101.1 Å²	101.1	39%	0.385	48%	0.484	S	S	.	.			trans	-76.1	103.5	173.8	-62.7	164.3	0	0	0	105	G518 S522	G518-I520 PolarHBondContact O-N 3.45Å; I520-S522 PolarHBondContact O-N 3Å; I520-S522 VanDerWaalsContact O-N 3.12Å
521	E	60.6	Low	65.7	Low	123 Å²	123	95.5 Å²	95.5	58%	0.575	46%	0.462	S	S	*	.			trans	-55.1	120.3	165.8	-68.4	-172.6	176.3	0	0	107.6	L519 E523	L519-E521 PolarHBondContact O-N 2.94Å; E521-E523 PolarHBondContact O-N 3.22Å
522	S	70.4	Confident	68	Low	11 Å²	11	92.4 Å²	92.4	8%	0.077	45%	0.445	C	S	.	.			trans	-63.8	122	177.1	-177	0	0	0	0	108	I520 I524 D525 T526	I520-S522 PolarHBondContact O-N 3Å; I520-S522 VanDerWaalsContact O-N 3.12Å; S522-I524 PolarHBondContact O-N 3.22Å; S522-I524 PolarHBondContact OG-N 3.15Å; S522-D525 WeakPolarHBondContact CB-OD2 3.33Å; S522-D525 WeakPolarHBondContact O-CB 3.32Å; S522-D525 PolarHBondContact O-N 2.99Å; S522-T526 PolarHBondContact O-N 3.49Å
523	E	80.6	Confident	70.9	Confident	121 Å²	121	84.1 Å²	84.1	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-52.6	-31	173.8	-66.5	166.2	148.2	0	0	111.1	K427 E521 T526 Y527	K427-E523 IonicContact NZ-OE2 2.8Å; K427-E523 PolarHBondContact NZ-OE2 3.46Å; E521-E523 PolarHBondContact O-N 3.22Å; E523-T526 WeakPolarHBondContact O-CB 3.47Å; E523-T526 PolarHBondContact O-N 3.4Å; E523-Y527 WeakPolarHBondContact O-CD2 3.35Å; E523-Y527 PolarHBondContact O-N 3.28Å
524	I	85.3	Confident	73.3	Confident	13 Å²	13	80.8 Å²	80.8	7%	0.067	40%	0.399	C	S	.	.	H	α-helix	trans	-67.1	-40.4	179.3	-49.7	179.1	0	0	0	111.8	F22 E416 I419 A420 I423 S522 T526 Y527 S528	F22-I524 HydrophobicContact CE2-CG2 4.24Å; F22-I524 HydrophobicContact CZ-CG2 3.63Å; E416-I524 HydrophobicContact CG-CG2 4.19Å; E416-I524 VanDerWaalsContact OE1-CG2 3.31Å; E416-I524 WeakPolarHBondContact OE1-CG2 3.35Å; I419-I524 HydrophobicContact CG2-CD1 4.08Å; A420-I524 HydrophobicContact CB-CD1 4.38Å; I423-I524 HydrophobicContact CB-CD1 4.3Å; I423-I524 HydrophobicContact CD1-CD1 3.39Å; I423-I524 HydrophobicContact CG1-CD1 4.38Å; S522-I524 PolarHBondContact O-N 3.22Å; S522-I524 PolarHBondContact OG-N 3.15Å; I524-T526 PolarHBondContact O-N 3.24Å; I524-Y527 PolarHBondContact O-N 3.03Å; I524-S528 VanDerWaalsContact O-CB 3.31Å; I524-S528 WeakPolarHBondContact O-CB 3.37Å; I524-S528 PolarHBondContact O-N 3.4Å; I524-S528 PolarHBondContact O-OG 3.41Å
525	D	87.5	Confident	75.7	Confident	5 Å²	5	74.3 Å²	74.3	3%	0.027	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-39.1	178.1	-67.2	-45.4	0	0	0	109.7	R368 S522 Y527 S528 R529	R368-D525 IonicContact CZ-OD1 3.38Å; R368-D525 IonicContact CZ-OD2 3.61Å; R368-D525 IonicContact NH1-OD1 2.84Å; R368-D525 PolarHBondContact NH1-OD1 2.99Å; R368-D525 IonicContact NH1-OD2 3.62Å; R368-D525 IonicContact NH2-OD1 3.08Å; R368-D525 PolarHBondContact NH2-OD1 3.15Å; R368-D525 VanDerWaalsContact NH2-OD1 3.08Å; R368-D525 IonicContact NH2-OD2 2.65Å; R368-D525 PolarHBondContact NH2-OD2 2.91Å; S522-D525 WeakPolarHBondContact CB-OD2 3.33Å; S522-D525 WeakPolarHBondContact O-CB 3.32Å; S522-D525 PolarHBondContact O-N 2.99Å; D525-Y527 PolarHBondContact O-N 3.47Å; D525-S528 PolarHBondContact O-N 3.44Å; D525-R529 WeakPolarHBondContact O-CG 3.47Å; D525-R529 PolarHBondContact O-N 2.87Å
526	T	87.1	Confident	78.1	Confident	71 Å²	71	64.1 Å²	64.1	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-43.5	179.5	-58	0	0	0	0	112	S522 E523 I524	S522-T526 PolarHBondContact O-N 3.49Å; E523-T526 WeakPolarHBondContact O-CB 3.47Å; E523-T526 PolarHBondContact O-N 3.4Å; I524-T526 PolarHBondContact O-N 3.24Å
527	Y	89.8	Confident	80.3	Confident	156 Å²	156	63 Å²	63	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-70.7	-41.8	173.8	-66.8	-68.7	0	0	0	112.1	E523 I524 D525 R529 F530 L531	E523-Y527 WeakPolarHBondContact O-CD2 3.35Å; E523-Y527 PolarHBondContact O-N 3.28Å; I524-Y527 PolarHBondContact O-N 3.03Å; D525-Y527 PolarHBondContact O-N 3.47Å; Y527-R529 VanDerWaalsContact C-N 3.28Å; Y527-R529 PolarHBondContact O-N 2.92Å; Y527-F530 PolarHBondContact O-N 3Å; Y527-F530 VanDerWaalsContact O-N 3.13Å; Y527-L531 WeakPolarHBondContact O-CB 3.04Å; Y527-L531 PolarHBondContact O-N 3.26Å
528	S	91.6	Very high	82.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-31.8	-176.7	-60.7	0	0	0	0	112.8	E416 I524 D525 F530 F532	E416-S528 WeakPolarHBondContact CG-OG 3.37Å; I524-S528 VanDerWaalsContact O-CB 3.31Å; I524-S528 WeakPolarHBondContact O-CB 3.37Å; I524-S528 PolarHBondContact O-N 3.4Å; I524-S528 PolarHBondContact O-OG 3.41Å; D525-S528 PolarHBondContact O-N 3.44Å; S528-F530 PolarHBondContact O-N 3.15Å; S528-F532 PolarHBondContact O-N 3.48Å
529	R	91.8	Very high	85	Confident	71 Å²	71	64.1 Å²	64.1	27%	0.268	32%	0.324	S	S	.	.	H	α-helix	trans	-55.6	-30.1	173.5	-76.7	167.7	-165.6	174.2	4.6	113.7	F358 W359 D525 Y527 P533	F358-R529 HydrophobicContact CB-CG 3.91Å; F358-R529 PolarHBondContact O-NE 2.88Å; F358-R529 PolarHBondContact O-NH2 3.45Å; W359-R529 HydrophobicContact CZ2-CG 4.44Å; D525-R529 WeakPolarHBondContact O-CG 3.47Å; D525-R529 PolarHBondContact O-N 2.87Å; Y527-R529 VanDerWaalsContact C-N 3.28Å; Y527-R529 PolarHBondContact O-N 2.92Å; R529-P533 WeakPolarHBondContact O-CD 3.5Å; R529-P533 WeakPolarHBondContact O-CG 3.42Å
530	F	91.4	Very high	87.1	Confident	163 Å²	163	59.7 Å²	59.7	72%	0.715	30%	0.301	S	S	*	.	H	α-helix	trans	-102.8	-41.9	177.9	-176.4	-98.1	0	0	0	112.3	Y527 S528 A534	Y527-F530 PolarHBondContact O-N 3Å; Y527-F530 VanDerWaalsContact O-N 3.13Å; S528-F530 PolarHBondContact O-N 3.15Å; F530-A534 HydrophobicContact CE1-CB 4.24Å; F530-A534 HydrophobicContact CZ-CB 4.49Å; F530-A534 WeakPolarHBondContact O-CB 3.25Å; F530-A534 PolarHBondContact O-N 3.29Å
531	L	91.8	Very high	88.9	Confident	60 Å²	60	59.8 Å²	59.8	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-49.9	-172.7	-174.3	69.3	0	0	0	112.5	F22 Y527 A534 C535	F22-L531 HydrophobicContact CD2-CD2 3.75Å; F22-L531 HydrophobicContact CE2-CD2 4.36Å; Y527-L531 WeakPolarHBondContact O-CB 3.04Å; Y527-L531 PolarHBondContact O-N 3.26Å; L531-A534 PolarHBondContact O-N 3.49Å; L531-C535 WeakPolarHBondContact O-CB 3.22Å; L531-C535 PolarHBondContact O-N 3.26Å; L531-C535 PolarHBondContact O-SG 2.68Å
532	F	92.9	Very high	90.4	Very high	29 Å²	29	58.1 Å²	58.1	13%	0.127	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-49.7	-176.9	-84.4	-98.6	0	0	0	112.5	F358 F409 V413 E416 S528 A534 C535 F536	F358-F532 HydrophobicContact CE1-CD2 4.43Å; F358-F532 HydrophobicContact CE1-CE2 4.48Å; F358-F532 HydrophobicContact CE2-CB 3.84Å; F358-F532 HydrophobicContact CE2-CD2 4.09Å; F358-F532 HydrophobicContact CE2-CG 4Å; F358-F532 HydrophobicContact CZ-CB 4.07Å; F358-F532 HydrophobicContact CZ-CD1 4.18Å; F358-F532 AromaticContact CZ-CD2 3.59Å; F358-F532 HydrophobicContact CZ-CD2 3.59Å; F358-F532 AromaticContact CZ-CE2 3.99Å; F358-F532 HydrophobicContact CZ-CE2 3.99Å; F358-F532 AromaticContact CZ-CG 3.7Å; F358-F532 HydrophobicContact CZ-CG 3.7Å; F358-F532 HydrophobicContact CZ-CZ 4.43Å; F409-F532 HydrophobicContact CD1-CD1 4.46Å; V413-F532 HydrophobicContact CG2-CD1 4.05Å; V413-F532 HydrophobicContact CG2-CE1 4.02Å; E416-F532 HydrophobicContact CB-CE2 4.24Å; E416-F532 HydrophobicContact CB-CZ 4.15Å; E416-F532 HydrophobicContact CG-CE2 4.19Å; S528-F532 PolarHBondContact O-N 3.48Å; F532-A534 PolarHBondContact O-N 2.98Å; F532-C535 PolarHBondContact O-N 2.89Å; F532-F536 WeakPolarHBondContact O-CB 3.34Å; F532-F536 PolarHBondContact O-N 2.9Å
533	P	93.7	Very high	91.5	Very high	31 Å²	31	57.6 Å²	57.6	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-42.7	174.7	-26.7	36.2	0	0	0	113.3	W355 R529 F536 V537	W355-P533 HydrophobicContact CD2-CG 3.92Å; W355-P533 HydrophobicContact CE3-CB 4.09Å; W355-P533 HydrophobicContact CE3-CG 3.7Å; W355-P533 HydrophobicContact CH2-CB 3.92Å; W355-P533 HydrophobicContact CH2-CG 4.32Å; W355-P533 HydrophobicContact CZ2-CB 4.41Å; W355-P533 HydrophobicContact CZ3-CB 3.74Å; W355-P533 HydrophobicContact CZ3-CG 3.91Å; R529-P533 WeakPolarHBondContact O-CD 3.5Å; R529-P533 WeakPolarHBondContact O-CG 3.42Å; P533-F536 PolarHBondContact O-N 3.08Å; P533-V537 WeakPolarHBondContact O-CG2 3.14Å; P533-V537 PolarHBondContact O-N 3.39Å
534	A	93.2	Very high	92.1	Very high	42 Å²	42	54.6 Å²	54.6	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-45.4	179	0	0	0	0	0	112	F530 L531 F532 F536 V537 L538	F530-A534 HydrophobicContact CE1-CB 4.24Å; F530-A534 HydrophobicContact CZ-CB 4.49Å; F530-A534 WeakPolarHBondContact O-CB 3.25Å; F530-A534 PolarHBondContact O-N 3.29Å; L531-A534 PolarHBondContact O-N 3.49Å; F532-A534 PolarHBondContact O-N 2.98Å; A534-F536 VanDerWaalsContact C-N 3.31Å; A534-F536 PolarHBondContact O-N 3.39Å; A534-V537 PolarHBondContact O-N 3.49Å; A534-L538 WeakPolarHBondContact O-CB 3.38Å; A534-L538 PolarHBondContact O-N 2.96Å
535	C	94	Very high	92.4	Very high	45 Å²	45	57.1 Å²	57.1	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-39.3	175	-72.7	0	0	0	0	112.1	F409 L531 F532 L538 Y539	F409-C535 HydrophobicContact CE1-CB 3.94Å; F409-C535 HydrophobicContact CZ-CB 4.23Å; L531-C535 WeakPolarHBondContact O-CB 3.22Å; L531-C535 PolarHBondContact O-N 3.26Å; L531-C535 PolarHBondContact O-SG 2.68Å; F532-C535 PolarHBondContact O-N 2.89Å; C535-L538 PolarHBondContact O-N 2.93Å; C535-Y539 WeakPolarHBondContact O-CB 3.34Å; C535-Y539 PolarHBondContact O-N 2.86Å
536	F	94.5	Very high	92.5	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-70.1	-39.1	178.8	-174.1	-107.6	0	0	0	112.8	V348 I351 W355 W402 F409 F532 P533 A534 Y539 N540	V348-F536 HydrophobicContact CG1-CE1 4.15Å; V348-F536 HydrophobicContact CG2-CE1 4.19Å; V348-F536 HydrophobicContact CG2-CZ 4.05Å; I351-F536 HydrophobicContact CB-CZ 4.42Å; I351-F536 HydrophobicContact CD1-CD2 4.36Å; I351-F536 HydrophobicContact CD1-CE2 3.43Å; I351-F536 VanDerWaalsContact CD1-CE2 3.43Å; I351-F536 HydrophobicContact CD1-CZ 3.63Å; I351-F536 HydrophobicContact CG2-CD2 4.15Å; I351-F536 HydrophobicContact CG2-CE1 4.47Å; I351-F536 HydrophobicContact CG2-CE2 4.09Å; I351-F536 HydrophobicContact CG2-CG 4.38Å; I351-F536 HydrophobicContact CG2-CZ 4.24Å; W355-F536 HydrophobicContact CH2-CB 3.99Å; W355-F536 AromaticContact CH2-CD1 3.63Å; W355-F536 HydrophobicContact CH2-CD1 3.63Å; W355-F536 HydrophobicContact CH2-CE1 4.47Å; W355-F536 HydrophobicContact CH2-CG 4.08Å; W355-F536 HydrophobicContact CZ2-CB 3.54Å; W355-F536 AromaticContact CZ2-CD1 3.69Å; W355-F536 HydrophobicContact CZ2-CD1 3.69Å; W355-F536 AromaticContact CZ2-CG 3.71Å; W355-F536 HydrophobicContact CZ2-CG 3.71Å; W402-F536 HydrophobicContact CH2-CZ 4.37Å; F409-F536 AromaticContact CD2-CD2 3.86Å; F409-F536 HydrophobicContact CD2-CD2 3.86Å; F409-F536 HydrophobicContact CD2-CE2 4.45Å; F409-F536 HydrophobicContact CE1-CB 4.1Å; F409-F536 AromaticContact CE2-CD2 3.85Å; F409-F536 HydrophobicContact CE2-CD2 3.85Å; F409-F536 HydrophobicContact CG-CD2 4.24Å; F409-F536 HydrophobicContact CZ-CB 4.16Å; F409-F536 HydrophobicContact CZ-CD2 4.19Å; F532-F536 WeakPolarHBondContact O-CB 3.34Å; F532-F536 PolarHBondContact O-N 2.9Å; P533-F536 PolarHBondContact O-N 3.08Å; A534-F536 VanDerWaalsContact C-N 3.31Å; A534-F536 PolarHBondContact O-N 3.39Å; F536-Y539 HydrophobicContact CD2-CD1 4.29Å; F536-Y539 HydrophobicContact CE2-CD1 4.25Å; F536-Y539 WeakPolarHBondContact O-CB 3.46Å; F536-Y539 PolarHBondContact O-N 3.22Å; F536-N540 VanDerWaalsContact CD1-ND2 3.33Å; F536-N540 WeakPolarHBondContact CD1-ND2 3.3Å; F536-N540 WeakPolarHBondContact CE1-ND2 3.44Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.42Å; F536-N540 PolarHBondContact O-N 3.49Å; F536-N540 PolarHBondContact O-ND2 3.26Å
537	V	94.1	Very high	92.7	Very high	87 Å²	87	55.6 Å²	55.6	53%	0.527	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-45.4	174	171.2	0	0	0	0	110.4	P533 A534 Y539 N540 C541	P533-V537 WeakPolarHBondContact O-CG2 3.14Å; P533-V537 PolarHBondContact O-N 3.39Å; A534-V537 PolarHBondContact O-N 3.49Å; V537-Y539 VanDerWaalsContact C-N 3.33Å; V537-Y539 PolarHBondContact O-N 3.49Å; V537-N540 WeakPolarHBondContact O-CB 3.24Å; V537-N540 PolarHBondContact O-N 3.12Å; V537-C541 PolarHBondContact O-N 3.45Å; V537-C541 PolarHBondContact O-SG 3.42Å; V537-C541 VanDerWaalsContact O-SG 3.39Å
538	L	94.4	Very high	92.4	Very high	108 Å²	108	51.4 Å²	51.4	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-61	-42.3	176.4	-176.5	135	0	0	0	111.9	A534 C535 C541 F542	A534-L538 WeakPolarHBondContact O-CB 3.38Å; A534-L538 PolarHBondContact O-N 2.96Å; C535-L538 PolarHBondContact O-N 2.93Å; L538-C541 PolarHBondContact O-N 3.5Å; L538-F542 WeakPolarHBondContact O-CB 3.42Å; L538-F542 PolarHBondContact O-N 3.04Å
539	Y	94.5	Very high	91.9	Very high	11 Å²	11	55.9 Å²	55.9	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-46	173.2	169.5	-103.7	0	0	0	112.1	W402 F405 F409 C535 F536 V537 F542 Y543	W402-Y539 WeakPolarHBondContact CA-OH 3.37Å; W402-Y539 AromaticContact CE3-CE1 3.86Å; W402-Y539 HydrophobicContact CE3-CE1 3.86Å; W402-Y539 AromaticContact CZ3-CE1 3.93Å; W402-Y539 HydrophobicContact CZ3-CE1 3.93Å; F405-Y539 HydrophobicContact CB-CD2 4.37Å; F405-Y539 HydrophobicContact CB-CE1 4.02Å; F405-Y539 HydrophobicContact CB-CE2 3.62Å; F405-Y539 VanDerWaalsContact CB-CZ 3.42Å; F405-Y539 WeakPolarHBondContact CB-OH 3.35Å; F405-Y539 HydrophobicContact CD1-CD2 4.34Å; F405-Y539 HydrophobicContact CD1-CE2 4.05Å; F405-Y539 AromaticContact CD2-CE2 3.6Å; F405-Y539 HydrophobicContact CD2-CE2 3.6Å; F405-Y539 HydrophobicContact CE2-CE2 4.34Å; F405-Y539 HydrophobicContact CG-CD2 4.16Å; F405-Y539 AromaticContact CG-CE2 3.44Å; F405-Y539 HydrophobicContact CG-CE2 3.44Å; F405-Y539 VanDerWaalsContact CG-CE2 3.44Å; F405-Y539 AromaticContact CG-CZ 3.79Å; F409-Y539 HydrophobicContact CE2-CD1 4.16Å; F409-Y539 HydrophobicContact CE2-CG 4.05Å; C535-Y539 WeakPolarHBondContact O-CB 3.34Å; C535-Y539 PolarHBondContact O-N 2.86Å; F536-Y539 HydrophobicContact CD2-CD1 4.29Å; F536-Y539 HydrophobicContact CE2-CD1 4.25Å; F536-Y539 WeakPolarHBondContact O-CB 3.46Å; F536-Y539 PolarHBondContact O-N 3.22Å; V537-Y539 VanDerWaalsContact C-N 3.33Å; V537-Y539 PolarHBondContact O-N 3.49Å; Y539-F542 PolarHBondContact O-N 3.1Å; Y539-Y543 VanDerWaalsContact O-CB 3.3Å; Y539-Y543 WeakPolarHBondContact O-CB 3.41Å; Y539-Y543 PolarHBondContact O-N 2.99Å
540	N	93.9	Very high	91	Very high	28 Å²	28	56.4 Å²	56.4	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-49.7	177.3	-87.7	-92.5	0	0	0	111.4	W402 F536 V537 F542 Y543 W544	W402-N540 WeakPolarHBondContact CH2-OD1 3.35Å; W402-N540 WeakPolarHBondContact CZ3-OD1 3.13Å; F536-N540 VanDerWaalsContact CD1-ND2 3.33Å; F536-N540 WeakPolarHBondContact CD1-ND2 3.3Å; F536-N540 WeakPolarHBondContact CE1-ND2 3.44Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.42Å; F536-N540 PolarHBondContact O-N 3.49Å; F536-N540 PolarHBondContact O-ND2 3.26Å; V537-N540 WeakPolarHBondContact O-CB 3.24Å; V537-N540 PolarHBondContact O-N 3.12Å; N540-F542 VanDerWaalsContact C-N 3.3Å; N540-F542 PolarHBondContact O-N 2.97Å; N540-Y543 PolarHBondContact O-N 3.44Å; N540-W544 PolarHBondContact O-N 3.13Å
541	C	93.2	Very high	90.3	Very high	76 Å²	76	50.2 Å²	50.2	51%	0.514	28%	0.276	S	S	.	.	H	α-helix	trans	-55.4	-47.7	177.1	-68.2	0	0	0	0	111	V537 L538 C545	V537-C541 PolarHBondContact O-N 3.45Å; V537-C541 PolarHBondContact O-SG 3.42Å; V537-C541 VanDerWaalsContact O-SG 3.39Å; L538-C541 PolarHBondContact O-N 3.5Å; C541-C545 WeakPolarHBondContact O-CB 3.37Å; C541-C545 PolarHBondContact O-N 2.73Å; C541-C545 PolarHBondContact O-SG 3.25Å
542	F	93.1	Very high	89.2	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-44.8	179.8	-174.4	-116.1	0	0	0	112.8	F7 I11 L538 Y539 N540 Y546	F7-F542 AromaticContact CD2-CE1 3.59Å; F7-F542 HydrophobicContact CD2-CE1 3.59Å; F7-F542 AromaticContact CD2-CZ 3.74Å; F7-F542 HydrophobicContact CD2-CZ 3.74Å; F7-F542 HydrophobicContact CE1-CE1 4.35Å; F7-F542 AromaticContact CE2-CD1 3.79Å; F7-F542 HydrophobicContact CE2-CD1 3.79Å; F7-F542 AromaticContact CE2-CE1 2.93Å; F7-F542 HydrophobicContact CE2-CE1 2.93Å; F7-F542 AromaticContact CE2-CZ 3.39Å; F7-F542 HydrophobicContact CE2-CZ 3.39Å; F7-F542 AromaticContact CZ-CD1 3.87Å; F7-F542 HydrophobicContact CZ-CD1 3.87Å; F7-F542 AromaticContact CZ-CE1 3.38Å; F7-F542 HydrophobicContact CZ-CE1 3.38Å; F7-F542 HydrophobicContact CZ-CZ 4.27Å; I11-F542 HydrophobicContact CD1-CD1 4.17Å; I11-F542 HydrophobicContact CD1-CE1 3.89Å; I11-F542 HydrophobicContact CG1-CD1 4.48Å; I11-F542 HydrophobicContact CG1-CE1 4.04Å; L538-F542 WeakPolarHBondContact O-CB 3.42Å; L538-F542 PolarHBondContact O-N 3.04Å; Y539-F542 PolarHBondContact O-N 3.1Å; N540-F542 VanDerWaalsContact C-N 3.3Å; N540-F542 PolarHBondContact O-N 2.97Å; F542-Y546 WeakPolarHBondContact O-CB 3.36Å; F542-Y546 PolarHBondContact O-N 3.4Å
543	Y	94.1	Very high	87.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-52.9	178.9	178.6	-93.7	0	0	0	111.6	M261 Y344 A398 W402 Y539 N540 Y546 F547	M261-Y543 HydrophobicContact CE-CE1 3.9Å; Y344-Y543 AromaticContact CE1-CE1 3.64Å; Y344-Y543 HydrophobicContact CE1-CE1 3.64Å; Y344-Y543 AromaticContact CE1-CZ 3.98Å; Y344-Y543 PolarHBondContact OH-OH 3.44Å; A398-Y543 PolarHBondContact O-OH 2.82Å; W402-Y543 HydrophobicContact CB-CE2 3.87Å; W402-Y543 AromaticContact CE3-CD1 3.68Å; W402-Y543 HydrophobicContact CE3-CD1 3.68Å; W402-Y543 HydrophobicContact CE3-CD2 4.21Å; W402-Y543 AromaticContact CE3-CE1 3.76Å; W402-Y543 HydrophobicContact CE3-CE1 3.76Å; W402-Y543 HydrophobicContact CE3-CE2 4.28Å; W402-Y543 AromaticContact CE3-CG 3.93Å; W402-Y543 HydrophobicContact CE3-CG 3.93Å; W402-Y543 HydrophobicContact CZ3-CD1 4.01Å; W402-Y543 HydrophobicContact CZ3-CE1 4.39Å; W402-Y543 HydrophobicContact CZ3-CG 4.36Å; Y539-Y543 VanDerWaalsContact O-CB 3.3Å; Y539-Y543 WeakPolarHBondContact O-CB 3.41Å; Y539-Y543 PolarHBondContact O-N 2.99Å; N540-Y543 PolarHBondContact O-N 3.44Å; Y543-Y546 PolarHBondContact O-N 3.44Å; Y543-F547 HydrophobicContact CD1-CD2 4.43Å; Y543-F547 AromaticContact CD2-CD2 3.6Å; Y543-F547 HydrophobicContact CD2-CD2 3.6Å; Y543-F547 AromaticContact CD2-CE2 3.56Å; Y543-F547 HydrophobicContact CD2-CE2 3.56Å; Y543-F547 HydrophobicContact CE1-CD2 4.29Å; Y543-F547 AromaticContact CE2-CD2 3.41Å; Y543-F547 HydrophobicContact CE2-CD2 3.41Å; Y543-F547 VanDerWaalsContact CE2-CD2 3.41Å; Y543-F547 AromaticContact CE2-CE2 3.34Å; Y543-F547 HydrophobicContact CE2-CE2 3.34Å; Y543-F547 HydrophobicContact CE2-CZ 4.48Å; Y543-F547 HydrophobicContact CG-CD2 4.11Å; Y543-F547 HydrophobicContact CG-CE2 4.47Å; Y543-F547 AromaticContact CZ-CD2 3.77Å; Y543-F547 WeakPolarHBondContact O-CD2 3.37Å; Y543-F547 PolarHBondContact O-N 3.34Å
544	W	92.6	Very high	85.5	Confident	58 Å²	58	64.8 Å²	64.8	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-42.1	-177.9	-70.1	110.9	0	0	0	112	M261 L340 Y344 N540 Y546 L548	M261-W544 HydrophobicContact CE-CE3 3.79Å; M261-W544 HydrophobicContact CE-CH2 3.58Å; M261-W544 HydrophobicContact CE-CZ3 3.11Å; L340-W544 HydrophobicContact CD2-CH2 3.34Å; L340-W544 HydrophobicContact CD2-CZ2 3.8Å; L340-W544 HydrophobicContact CD2-CZ3 4.21Å; Y344-W544 AromaticContact CD1-CH2 4Å; Y344-W544 HydrophobicContact CD1-CH2 4Å; Y344-W544 AromaticContact CD1-CZ2 3.59Å; Y344-W544 HydrophobicContact CD1-CZ2 3.59Å; Y344-W544 HydrophobicContact CD2-CH2 4.13Å; Y344-W544 HydrophobicContact CD2-CZ2 4.44Å; Y344-W544 AromaticContact CE1-CH2 3.97Å; Y344-W544 HydrophobicContact CE1-CH2 3.97Å; Y344-W544 AromaticContact CE1-CZ2 3.85Å; Y344-W544 HydrophobicContact CE1-CZ2 3.85Å; Y344-W544 HydrophobicContact CE2-CH2 4.1Å; Y344-W544 HydrophobicContact CG-CH2 4.08Å; Y344-W544 AromaticContact CG-CZ2 3.93Å; Y344-W544 HydrophobicContact CG-CZ2 3.93Å; N540-W544 PolarHBondContact O-N 3.13Å; W544-Y546 VanDerWaalsContact C-N 3.34Å; W544-Y546 PolarHBondContact O-N 3.42Å; W544-L548 HydrophobicContact CE3-CD1 3.7Å; W544-L548 HydrophobicContact CE3-CG 4.1Å; W544-L548 HydrophobicContact CZ3-CD1 4.36Å; W544-L548 VanDerWaalsContact O-CB 3.25Å; W544-L548 WeakPolarHBondContact O-CB 3.45Å; W544-L548 PolarHBondContact O-N 2.84Å
545	C	90.9	Very high	85.2	Confident	65 Å²	65	66 Å²	66	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-41.8	175.3	-71.7	0	0	0	0	111.8	C541 I549 I550	C541-C545 WeakPolarHBondContact O-CB 3.37Å; C541-C545 PolarHBondContact O-N 2.73Å; C541-C545 PolarHBondContact O-SG 3.25Å; C545-I549 HydrophobicContact CB-CD1 4.44Å; C545-I549 VanDerWaalsContact O-CB 3.25Å; C545-I549 WeakPolarHBondContact O-CB 3.37Å; C545-I549 PolarHBondContact O-N 3.15Å; C545-I550 PolarHBondContact O-N 3.09Å
546	Y	90.8	Very high	84.7	Confident	43 Å²	43	67.1 Å²	67.1	17%	0.169	35%	0.349	C	S	.	.	I	π-helix	trans	-65.8	-54.8	-179.9	-177.6	-100.2	0	0	0	111.8	F7 F542 Y543 W544 I550 V551	F7-Y546 HydrophobicContact CD2-CD2 4.37Å; F7-Y546 HydrophobicContact CD2-CE1 4.41Å; F7-Y546 HydrophobicContact CD2-CE2 4.25Å; F7-Y546 AromaticContact CE2-CD1 3.9Å; F7-Y546 HydrophobicContact CE2-CD1 3.9Å; F7-Y546 HydrophobicContact CE2-CD2 4.08Å; F7-Y546 HydrophobicContact CE2-CE1 4.18Å; F7-Y546 HydrophobicContact CE2-CE2 4.36Å; F7-Y546 AromaticContact CE2-CG 3.84Å; F7-Y546 HydrophobicContact CE2-CG 3.84Å; F7-Y546 HydrophobicContact CZ-CD1 4.4Å; F542-Y546 WeakPolarHBondContact O-CB 3.36Å; F542-Y546 PolarHBondContact O-N 3.4Å; Y543-Y546 PolarHBondContact O-N 3.44Å; W544-Y546 VanDerWaalsContact C-N 3.34Å; W544-Y546 PolarHBondContact O-N 3.42Å; Y546-I550 HydrophobicContact CD2-CB 4.37Å; Y546-I550 HydrophobicContact CD2-CD1 4.14Å; Y546-I550 HydrophobicContact CD2-CG2 4.47Å; Y546-I550 HydrophobicContact CE2-CG2 4.44Å; Y546-I550 WeakPolarHBondContact O-CB 3.48Å; Y546-I550 PolarHBondContact O-N 3.45Å; Y546-I550 VanDerWaalsContact O-N 3.15Å; Y546-V551 HydrophobicContact CD1-CG2 3.98Å; Y546-V551 HydrophobicContact CE1-CG2 3.6Å; Y546-V551 HydrophobicContact CE2-CG2 4.44Å; Y546-V551 PolarHBondContact O-N 3.22Å; Y546-V551 VanDerWaalsContact O-N 3.1Å
547	F	89.7	Confident	84.1	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	37%	0.367	C	S	.	.	I	π-helix	trans	-77.3	-28.9	-172.8	-73.1	-66.5	0	0	0	114.5	T258 M261 A398 I401 Y543 V551	T258-F547 HydrophobicContact CG2-CD1 4.4Å; M261-F547 HydrophobicContact SD-CB 4.25Å; A398-F547 HydrophobicContact CB-CD1 3.55Å; A398-F547 HydrophobicContact CB-CD2 4.09Å; A398-F547 HydrophobicContact CB-CE1 3.35Å; A398-F547 HydrophobicContact CB-CE2 3.92Å; A398-F547 HydrophobicContact CB-CG 3.93Å; A398-F547 HydrophobicContact CB-CZ 3.56Å; I401-F547 HydrophobicContact CD1-CZ 3.81Å; Y543-F547 HydrophobicContact CD1-CD2 4.43Å; Y543-F547 AromaticContact CD2-CD2 3.6Å; Y543-F547 HydrophobicContact CD2-CD2 3.6Å; Y543-F547 AromaticContact CD2-CE2 3.56Å; Y543-F547 HydrophobicContact CD2-CE2 3.56Å; Y543-F547 HydrophobicContact CE1-CD2 4.29Å; Y543-F547 AromaticContact CE2-CD2 3.41Å; Y543-F547 HydrophobicContact CE2-CD2 3.41Å; Y543-F547 VanDerWaalsContact CE2-CD2 3.41Å; Y543-F547 AromaticContact CE2-CE2 3.34Å; Y543-F547 HydrophobicContact CE2-CE2 3.34Å; Y543-F547 HydrophobicContact CE2-CZ 4.48Å; Y543-F547 HydrophobicContact CG-CD2 4.11Å; Y543-F547 HydrophobicContact CG-CE2 4.47Å; Y543-F547 AromaticContact CZ-CD2 3.77Å; Y543-F547 WeakPolarHBondContact O-CD2 3.37Å; Y543-F547 PolarHBondContact O-N 3.34Å; F547-V551 HydrophobicContact CD1-CG2 4.24Å
548	L	85	Confident	83.6	Confident	68 Å²	68	69.6 Å²	69.6	36%	0.356	36%	0.358	S	S	.	.	I	π-helix	trans	-86.9	-35.1	178.1	-67.8	176.6	0	0	0	113.7	M261 L336 W544 N552	M261-L548 HydrophobicContact CB-CD2 4.29Å; M261-L548 HydrophobicContact CG-CD2 3.69Å; L336-L548 HydrophobicContact CD1-CD2 3.78Å; W544-L548 HydrophobicContact CE3-CD1 3.7Å; W544-L548 HydrophobicContact CE3-CG 4.1Å; W544-L548 HydrophobicContact CZ3-CD1 4.36Å; W544-L548 VanDerWaalsContact O-CB 3.25Å; W544-L548 WeakPolarHBondContact O-CB 3.45Å; W544-L548 PolarHBondContact O-N 2.84Å; L548-N552 PolarHBondContact O-ND2 3.03Å
549	I	79.9	Confident	82.9	Confident	94 Å²	94	67.2 Å²	67.2	48%	0.482	35%	0.345	S	S	.	.	I	π-helix	trans	-102.9	-53.2	-170.4	-53.2	173.2	0	0	0	110.7	C545 Q553	C545-I549 HydrophobicContact CB-CD1 4.44Å; C545-I549 VanDerWaalsContact O-CB 3.25Å; C545-I549 WeakPolarHBondContact O-CB 3.37Å; C545-I549 PolarHBondContact O-N 3.15Å; I549-Q553 WeakPolarHBondContact O-CG 3.28Å
550	I	74.4	Confident	82.1	Confident	81 Å²	81	70.9 Å²	70.9	42%	0.415	37%	0.365	S	S	.	.	I	π-helix	trans	-77.5	-45.8	-169.1	-60.7	176.4	0	0	0	110.6	C545 Y546 I554	C545-I550 PolarHBondContact O-N 3.09Å; Y546-I550 HydrophobicContact CD2-CB 4.37Å; Y546-I550 HydrophobicContact CD2-CD1 4.14Å; Y546-I550 HydrophobicContact CD2-CG2 4.47Å; Y546-I550 HydrophobicContact CE2-CG2 4.44Å; Y546-I550 WeakPolarHBondContact O-CB 3.48Å; Y546-I550 PolarHBondContact O-N 3.45Å; Y546-I550 VanDerWaalsContact O-N 3.15Å; I550-I554 HydrophobicContact CG2-CD1 4.24Å; I550-I554 WeakPolarHBondContact O-CG1 3.45Å
551	V	76.9	Confident	81.3	Confident	33 Å²	33	74 Å²	74	20%	0.2	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-76.8	-32.4	-175.2	-168.1	0	0	0	0	112.4	T258 Y546 F547 Q553 I554	T258-V551 HydrophobicContact CG2-CB 3.93Å; T258-V551 HydrophobicContact CG2-CG1 3.23Å; Y546-V551 HydrophobicContact CD1-CG2 3.98Å; Y546-V551 HydrophobicContact CE1-CG2 3.6Å; Y546-V551 HydrophobicContact CE2-CG2 4.44Å; Y546-V551 PolarHBondContact O-N 3.22Å; Y546-V551 VanDerWaalsContact O-N 3.1Å; F547-V551 HydrophobicContact CD1-CG2 4.24Å; V551-Q553 PolarHBondContact O-N 3.1Å; V551-I554 PolarHBondContact O-N 3.48Å; V551-I554 VanDerWaalsContact O-OXT 3.08Å
552	N	67.8	Low	80.4	Confident	74 Å²	74	73.8 Å²	73.8	40%	0.396	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-71.8	-13.3	177.3	-75.4	-15.8	0	0	0	114.1	M261 L548	M261-N552 PolarHBondContact O-OD1 3.46Å; L548-N552 PolarHBondContact O-ND2 3.03Å
553	Q	59.5	Low	79.3	Confident	166 Å²	166	72.6 Å²	72.6	78%	0.776	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-89.5	-14.1	174.5	-76.6	-172.9	-17.5	0	0	113.6	I549 V551	I549-Q553 WeakPolarHBondContact O-CG 3.28Å; V551-Q553 PolarHBondContact O-N 3.1Å
554	I	50.1	Low	78	Confident	187 Å²	187	79.2 Å²	79.2	96%	0.959	40%	0.402	S	S	*	.			trans	-100.1	0	-178.6	-61.7	169.2	0	0	0	108.5	I550 V551	I550-I554 HydrophobicContact CG2-CD1 4.24Å; I550-I554 WeakPolarHBondContact O-CG1 3.45Å; V551-I554 PolarHBondContact O-N 3.48Å; V551-I554 VanDerWaalsContact O-OXT 3.08Å

Retrieved 554 of 554 residues in 452.4 ms (Link to these results)

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