G4VHC4_SCHMA Loading...

Putative n-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession G4VHC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 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	48.6	Very low	63.5	Low	229 Å²	229	127.8 Å²	127.8	100%	1.128	66%	0.656	S	S	*	*				0	20.3	0	-87.5	-177.6	110	0	0	114.5
2	Y	58.6	Low	64.4	Low	189 Å²	189	124.8 Å²	124.8	74%	0.741	64%	0.64	S	S	*	*			trans	-145.9	103.4	169.8	-71.7	-80.5	0	0	0	111	N4 L5	Y2-N4 VanDerWaalsContact C-N 3.31Å; Y2-N4 PolarHBondContact O-N 3.42Å; Y2-L5 VanDerWaalsContact CB-CD1 3.43Å; Y2-L5 HydrophobicContact CD1-CD1 3.97Å; Y2-L5 HydrophobicContact CD2-CD1 4.26Å; Y2-L5 HydrophobicContact CG-CD1 3.63Å
3	P	58.8	Low	65	Low	129 Å²	129	122.6 Å²	122.6	84%	0.838	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-10.3	-176.2	19.2	-19.3	0	0	0	115
4	N	62.1	Low	65.5	Low	156 Å²	156	122.4 Å²	122.4	83%	0.834	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	29.6	-171.8	-74.1	-20.2	0	0	0	114.8	Y2	Y2-N4 VanDerWaalsContact C-N 3.31Å; Y2-N4 PolarHBondContact O-N 3.42Å
5	L	54.9	Low	65.6	Low	73 Å²	73	120.5 Å²	120.5	38%	0.382	62%	0.619	S	S	.	*			trans	-85.2	129.4	172.4	-102.6	113.7	0	0	0	111	Y2 Y9	Y2-L5 VanDerWaalsContact CB-CD1 3.43Å; Y2-L5 HydrophobicContact CD1-CD1 3.97Å; Y2-L5 HydrophobicContact CD2-CD1 4.26Å; Y2-L5 HydrophobicContact CG-CD1 3.63Å; L5-Y9 HydrophobicContact CD2-CD1 4.4Å; L5-Y9 HydrophobicContact CD2-CD2 4.35Å; L5-Y9 HydrophobicContact CD2-CG 3.82Å
6	P	60.8	Low	65.3	Low	83 Å²	83	116.8 Å²	116.8	54%	0.539	60%	0.604	S	S	.	*			trans	-55	140.2	176.2	-22.7	31.3	0	0	0	111.4	H8 Y9	P6-H8 PolarHBondContact O-N 3.43Å; P6-Y9 HydrophobicContact CB-CD2 4.41Å; P6-Y9 HydrophobicContact CG-CD2 4.39Å; P6-Y9 PolarHBondContact O-N 2.88Å
7	T	71.7	Confident	65.1	Low	114 Å²	114	118.1 Å²	118.1	70%	0.699	60%	0.604	S	S	*	*	H	α-helix	trans	-48.1	-31.9	-173.8	28.9	0	0	0	0	114.8	T10 I11	T7-T10 PolarHBondContact O-N 2.95Å; T7-T10 PolarHBondContact O-OG1 2.96Å; T7-I11 WeakPolarHBondContact O-CG1 3.28Å; T7-I11 PolarHBondContact O-N 2.8Å
8	H	70.6	Confident	65.1	Low	140 Å²	140	119.5 Å²	119.5	65%	0.648	60%	0.602	S	S	*	*	H	α-helix	trans	-62.5	-40.8	175.9	-110.1	53	0	0	0	113.4	P6 T10 I11 I12	P6-H8 PolarHBondContact O-N 3.43Å; H8-T10 VanDerWaalsContact C-N 3.33Å; H8-T10 PolarHBondContact O-N 3.23Å; H8-I11 PolarHBondContact O-N 3.45Å; H8-I12 WeakPolarHBondContact O-CG1 3.33Å; H8-I12 PolarHBondContact O-N 3.47Å; H8-I12 VanDerWaalsContact O-N 3.12Å
9	Y	71.6	Confident	64.7	Low	139 Å²	139	119.2 Å²	119.2	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-70	-33.4	178.3	-78	-80.6	0	0	0	111.9	L5 P6 I11 I12 I13	L5-Y9 HydrophobicContact CD2-CD1 4.4Å; L5-Y9 HydrophobicContact CD2-CD2 4.35Å; L5-Y9 HydrophobicContact CD2-CG 3.82Å; P6-Y9 HydrophobicContact CB-CD2 4.41Å; P6-Y9 HydrophobicContact CG-CD2 4.39Å; P6-Y9 PolarHBondContact O-N 2.88Å; Y9-I11 VanDerWaalsContact C-N 3.32Å; Y9-I11 PolarHBondContact O-N 3.1Å; Y9-I12 PolarHBondContact O-N 2.95Å; Y9-I13 VanDerWaalsContact O-CG1 3.28Å; Y9-I13 WeakPolarHBondContact O-CG1 3.41Å; Y9-I13 PolarHBondContact O-N 3.44Å
10	T	67.8	Low	64.1	Low	67 Å²	67	119.2 Å²	119.2	41%	0.411	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-40.6	175.4	-22	0	0	0	0	111.2	T7 H8 I13 L14	T7-T10 PolarHBondContact O-N 2.95Å; T7-T10 PolarHBondContact O-OG1 2.96Å; H8-T10 VanDerWaalsContact C-N 3.33Å; H8-T10 PolarHBondContact O-N 3.23Å; T10-I13 PolarHBondContact O-N 3.35Å; T10-L14 WeakPolarHBondContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 3.5Å
11	I	73.3	Confident	63.7	Low	87 Å²	87	117.4 Å²	117.4	45%	0.446	60%	0.598	S	S	.	*	H	α-helix	trans	-65.2	-45.1	176.1	-66.3	166.6	0	0	0	110.8	T7 H8 Y9 I13 L14 I15	T7-I11 WeakPolarHBondContact O-CG1 3.28Å; T7-I11 PolarHBondContact O-N 2.8Å; H8-I11 PolarHBondContact O-N 3.45Å; Y9-I11 VanDerWaalsContact C-N 3.32Å; Y9-I11 PolarHBondContact O-N 3.1Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 3.12Å; I11-L14 PolarHBondContact O-N 3.35Å; I11-I15 HydrophobicContact CG2-CD1 3.66Å; I11-I15 HydrophobicContact CG2-CG1 4.31Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.49Å
12	I	73.6	Confident	63.6	Low	92 Å²	92	111.5 Å²	111.5	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-63.4	-40.8	178.8	-64.7	172.2	0	0	0	111.1	H8 Y9 I15 T16	H8-I12 WeakPolarHBondContact O-CG1 3.33Å; H8-I12 PolarHBondContact O-N 3.47Å; H8-I12 VanDerWaalsContact O-N 3.12Å; Y9-I12 PolarHBondContact O-N 2.95Å; I12-I15 PolarHBondContact O-N 3.41Å; I12-T16 HydrophobicContact CG2-CG2 4.45Å; I12-T16 WeakPolarHBondContact O-CB 3.3Å; I12-T16 PolarHBondContact O-N 2.7Å; I12-T16 PolarHBondContact O-OG1 2.85Å
13	I	72.3	Confident	62.8	Low	96 Å²	96	106.1 Å²	106.1	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-42.6	175.9	-68.2	167.4	0	0	0	110.5	Y9 T10 I11 T16 F17	Y9-I13 VanDerWaalsContact O-CG1 3.28Å; Y9-I13 WeakPolarHBondContact O-CG1 3.41Å; Y9-I13 PolarHBondContact O-N 3.44Å; T10-I13 PolarHBondContact O-N 3.35Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 3.12Å; I13-T16 WeakPolarHBondContact CA-OG1 3.33Å; I13-T16 PolarHBondContact O-N 3.48Å; I13-T16 PolarHBondContact O-OG1 3.36Å; I13-T16 VanDerWaalsContact O-OG1 3.1Å; I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 PolarHBondContact O-N 3.18Å
14	L	72	Confident	62.1	Low	120 Å²	120	105.5 Å²	105.5	63%	0.628	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-42	176.6	-76.1	164.9	0	0	0	112.1	T10 I11 F17 Y18	T10-L14 WeakPolarHBondContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 3.5Å; I11-L14 PolarHBondContact O-N 3.35Å; L14-F17 PolarHBondContact O-N 3.44Å; L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.38Å
15	I	67	Low	60.9	Low	93 Å²	93	102.9 Å²	102.9	48%	0.477	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-45.5	176.9	-67.7	169	0	0	0	110.6	I11 I12 Y18 L19	I11-I15 HydrophobicContact CG2-CD1 3.66Å; I11-I15 HydrophobicContact CG2-CG1 4.31Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.47Å; I11-I15 PolarHBondContact O-N 3.49Å; I12-I15 PolarHBondContact O-N 3.41Å; I15-Y18 PolarHBondContact O-N 2.84Å; I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.49Å
16	T	61.6	Low	60.2	Low	62 Å²	62	104.5 Å²	104.5	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-38.1	177.9	44.5	0	0	0	0	112	I12 I13 L19 L20	I12-T16 HydrophobicContact CG2-CG2 4.45Å; I12-T16 WeakPolarHBondContact O-CB 3.3Å; I12-T16 PolarHBondContact O-N 2.7Å; I12-T16 PolarHBondContact O-OG1 2.85Å; I13-T16 WeakPolarHBondContact CA-OG1 3.33Å; I13-T16 PolarHBondContact O-N 3.48Å; I13-T16 PolarHBondContact O-OG1 3.36Å; I13-T16 VanDerWaalsContact O-OG1 3.1Å; T16-L19 PolarHBondContact O-N 2.87Å; T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 3.33Å; T16-L20 WeakPolarHBondContact O-CD1 3.17Å; T16-L20 VanDerWaalsContact O-CG 3.27Å; T16-L20 WeakPolarHBondContact O-CG 3.24Å; T16-L20 PolarHBondContact O-N 3.48Å
17	F	61.7	Low	59	Low	138 Å²	138	107.1 Å²	107.1	61%	0.605	56%	0.563	S	S	*	*	H	α-helix	trans	-67.7	-39.1	174.8	-155.9	-91.3	0	0	0	111.6	I13 L14 L20 T21	I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 PolarHBondContact O-N 3.18Å; L14-F17 PolarHBondContact O-N 3.44Å; F17-L20 PolarHBondContact O-N 2.82Å; F17-T21 HydrophobicContact CD1-CG2 3.7Å; F17-T21 HydrophobicContact CE1-CG2 3.51Å; F17-T21 HydrophobicContact CG-CG2 4.47Å; F17-T21 HydrophobicContact CZ-CG2 4.14Å; F17-T21 WeakPolarHBondContact O-CB 3.2Å; F17-T21 VanDerWaalsContact O-CG2 3.31Å; F17-T21 WeakPolarHBondContact O-CG2 3.36Å; F17-T21 PolarHBondContact O-N 2.87Å; F17-T21 PolarHBondContact O-OG1 3.41Å
18	Y	65.1	Low	57.6	Low	144 Å²	144	106.9 Å²	106.9	57%	0.565	56%	0.563	S	S	*	*	H	α-helix	trans	-62.6	-46	172.1	-174.4	-97.6	0	0	0	111.1	L14 I15 L20 T21 H22	L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.38Å; I15-Y18 PolarHBondContact O-N 2.84Å; Y18-L20 PolarHBondContact O-N 3.37Å; Y18-T21 PolarHBondContact O-OG1 2.7Å; Y18-H22 AromaticContact CD2-CD2 3.82Å; Y18-H22 AromaticContact CD2-NE2 3.89Å; Y18-H22 AromaticContact CE1-CD2 3.68Å; Y18-H22 AromaticContact CE2-CD2 3.3Å; Y18-H22 WeakPolarHBondContact CE2-CD2 3.43Å; Y18-H22 AromaticContact CE2-NE2 3.25Å; Y18-H22 WeakPolarHBondContact CE2-NE2 3.49Å; Y18-H22 AromaticContact CZ-CD2 3.22Å; Y18-H22 AromaticContact CZ-NE2 3.59Å; Y18-H22 VanDerWaalsContact O-CB 3.24Å; Y18-H22 WeakPolarHBondContact O-CB 3.4Å; Y18-H22 PolarHBondContact O-N 2.84Å; Y18-H22 PolarHBondContact OH-CD2 2.97Å
19	L	58.2	Low	56.3	Low	113 Å²	113	104.5 Å²	104.5	59%	0.592	56%	0.555	S	S	*	*	H	α-helix	trans	-65.1	-37.7	177	-71.8	168.7	0	0	0	112.7	I15 T16 S23	I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.25Å; I15-L19 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-N 2.83Å; L19-S23 VanDerWaalsContact O-N 3.13Å
20	L	52.4	Low	54.8	Low	120 Å²	120	105.6 Å²	105.6	63%	0.628	57%	0.57	S	S	*	*	H	α-helix	trans	-72.8	-43.8	177.6	-78	160.2	0	0	0	111.9	T16 F17 Y18 H22 S23	T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 3.33Å; T16-L20 WeakPolarHBondContact O-CD1 3.17Å; T16-L20 VanDerWaalsContact O-CG 3.27Å; T16-L20 WeakPolarHBondContact O-CG 3.24Å; T16-L20 PolarHBondContact O-N 3.48Å; F17-L20 PolarHBondContact O-N 2.82Å; Y18-L20 PolarHBondContact O-N 3.37Å; L20-H22 VanDerWaalsContact C-N 3.34Å; L20-S23 WeakPolarHBondContact O-CB 3.21Å; L20-S23 PolarHBondContact O-N 2.85Å; L20-S23 PolarHBondContact O-OG 2.73Å
21	T	54.2	Low	53.7	Low	81 Å²	81	106.1 Å²	106.1	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-75.6	-20.3	178.3	56.9	0	0	0	0	113.5	F17 Y18	F17-T21 HydrophobicContact CD1-CG2 3.7Å; F17-T21 HydrophobicContact CE1-CG2 3.51Å; F17-T21 HydrophobicContact CG-CG2 4.47Å; F17-T21 HydrophobicContact CZ-CG2 4.14Å; F17-T21 WeakPolarHBondContact O-CB 3.2Å; F17-T21 VanDerWaalsContact O-CG2 3.31Å; F17-T21 WeakPolarHBondContact O-CG2 3.36Å; F17-T21 PolarHBondContact O-N 2.87Å; F17-T21 PolarHBondContact O-OG1 3.41Å; Y18-T21 PolarHBondContact O-OG1 2.7Å
22	H	48	Very low	52.2	Low	105 Å²	105	109.4 Å²	109.4	49%	0.486	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.9	14.6	170.5	-68	-9.5	0	0	0	113.6	Y18 L20 T24	Y18-H22 AromaticContact CD2-CD2 3.82Å; Y18-H22 AromaticContact CD2-NE2 3.89Å; Y18-H22 AromaticContact CE1-CD2 3.68Å; Y18-H22 AromaticContact CE2-CD2 3.3Å; Y18-H22 WeakPolarHBondContact CE2-CD2 3.43Å; Y18-H22 AromaticContact CE2-NE2 3.25Å; Y18-H22 WeakPolarHBondContact CE2-NE2 3.49Å; Y18-H22 AromaticContact CZ-CD2 3.22Å; Y18-H22 AromaticContact CZ-NE2 3.59Å; Y18-H22 VanDerWaalsContact O-CB 3.24Å; Y18-H22 WeakPolarHBondContact O-CB 3.4Å; Y18-H22 PolarHBondContact O-N 2.84Å; Y18-H22 PolarHBondContact OH-CD2 2.97Å; L20-H22 VanDerWaalsContact C-N 3.34Å; H22-T24 PolarHBondContact O-N 3.32Å
23	S	42.2	Very low	50.6	Low	77 Å²	77	113.9 Å²	113.9	54%	0.538	61%	0.605	S	S	.	*			trans	-69.9	77.4	158.3	70.7	0	0	0	0	108.6	L19 L20 S25	L19-S23 PolarHBondContact O-N 2.83Å; L19-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 WeakPolarHBondContact O-CB 3.21Å; L20-S23 PolarHBondContact O-N 2.85Å; L20-S23 PolarHBondContact O-OG 2.73Å; S23-S25 PolarHBondContact O-N 2.9Å
24	T	42.8	Very low	49.4	Very low	116 Å²	116	112.5 Å²	112.5	71%	0.712	60%	0.598	S	S	*	*			trans	-63.6	98.9	174.3	49.7	0	0	0	0	107.9	H22 L26	H22-T24 PolarHBondContact O-N 3.32Å; T24-L26 PolarHBondContact O-N 3.13Å
25	S	37.8	Very low	48.2	Very low	100 Å²	100	113.4 Å²	113.4	70%	0.699	60%	0.604	S	S	*	*			trans	-53.1	128.5	159.9	60.5	0	0	0	0	107.4	S23 N27	S23-S25 PolarHBondContact O-N 2.9Å; S25-N27 PolarHBondContact O-N 3.18Å
26	L	40.1	Very low	47.1	Very low	108 Å²	108	116.9 Å²	116.9	57%	0.565	61%	0.611	S	S	*	*			trans	-40.8	94.6	178.8	-69.2	157.7	0	0	0	110.9	T24 P28	T24-L26 PolarHBondContact O-N 3.13Å; L26-P28 WeakPolarHBondContact O-CD 3.33Å
27	N	36.2	Very low	47.1	Very low	137 Å²	137	118.8 Å²	118.8	73%	0.733	61%	0.614	S	S	*	*			trans	-75.1	117.2	175.3	-124	-16.8	0	0	0	105.5	S25 L29	S25-N27 PolarHBondContact O-N 3.18Å; N27-L29 PolarHBondContact O-N 3.44Å; N27-L29 VanDerWaalsContact O-N 3.07Å
28	P	41.3	Very low	47	Very low	109 Å²	109	113.4 Å²	113.4	71%	0.708	59%	0.591	S	S	*	*			trans	-58.2	122.8	174.1	23.6	-29.8	0	0	0	107.1	L26 N30	L26-P28 WeakPolarHBondContact O-CD 3.33Å; P28-N30 PolarHBondContact O-N 2.95Å
29	L	44.1	Very low	47.1	Very low	90 Å²	90	110.3 Å²	110.3	47%	0.471	58%	0.581	S	S	.	*			trans	-33.8	109.9	-172.7	-65.9	155.1	0	0	0	110.9	N27 L31 L45	N27-L29 PolarHBondContact O-N 3.44Å; N27-L29 VanDerWaalsContact O-N 3.07Å; L29-L31 HydrophobicContact CB-CD1 3.82Å; L29-L31 HydrophobicContact CB-CD2 3.74Å; L29-L31 HydrophobicContact CB-CG 3.57Å; L29-L31 WeakPolarHBondContact O-CG 3.33Å; L29-L31 PolarHBondContact O-N 3.03Å; L29-L31 VanDerWaalsContact O-N 3.1Å; L29-L45 HydrophobicContact CD2-CD1 3.7Å
30	N	39.2	Very low	48	Very low	162 Å²	162	108.8 Å²	108.8	87%	0.866	57%	0.571	S	S	*	*			trans	-85.8	84.8	176.8	-155.2	-10.6	0	0	0	108.3	P28 N32	P28-N30 PolarHBondContact O-N 2.95Å; N30-N32 PolarHBondContact O-N 3.1Å
31	L	44.8	Very low	49.5	Very low	79 Å²	79	104.4 Å²	104.4	41%	0.414	55%	0.547	S	S	.	.			trans	-84	-1.1	-155.6	-73.5	167.2	0	0	0	117.4	L29 Y274	L29-L31 HydrophobicContact CB-CD1 3.82Å; L29-L31 HydrophobicContact CB-CD2 3.74Å; L29-L31 HydrophobicContact CB-CG 3.57Å; L29-L31 WeakPolarHBondContact O-CG 3.33Å; L29-L31 PolarHBondContact O-N 3.03Å; L29-L31 VanDerWaalsContact O-N 3.1Å; L31-Y274 HydrophobicContact CD1-CE2 4.42Å; L31-Y274 HydrophobicContact CD2-CE2 3.4Å; L31-Y274 VanDerWaalsContact CD2-CE2 3.4Å; L31-Y274 WeakPolarHBondContact CD2-OH 3.25Å
32	N	40.7	Very low	51.1	Low	155 Å²	155	103.8 Å²	103.8	83%	0.829	54%	0.54	S	S	*	.			trans	-97.8	8.3	-160	-93.9	-13.3	0	0	0	117.2	N30	N30-N32 PolarHBondContact O-N 3.1Å
33	K	41.4	Very low	52.9	Low	187 Å²	187	100.8 Å²	100.8	81%	0.813	53%	0.528	S	S	*	.	S	Bend	trans	-126.2	106.3	175.1	-77.7	-177.1	177	178	0	110.9
34	N	47.1	Very low	55.1	Low	66 Å²	66	103 Å²	103	35%	0.353	53%	0.529	S	S	.	.			trans	102	77.4	168.7	-52	-38.8	0	0	0	115.2	W36 K37	N34-W36 HydrophobicContact CB-CD2 4.16Å; N34-W36 HydrophobicContact CB-CG 4.18Å; N34-W36 HydrophobicContact CB-CZ2 4.21Å; N34-W36 VanDerWaalsContact CB-NE1 3.3Å; N34-W36 VanDerWaalsContact CG-NE1 3.26Å; N34-W36 PolarHBondContact O-N 3.02Å; N34-W36 PolarHBondContact OD1-NE1 2.76Å; N34-K37 HydrophobicContact CB-CB 4.22Å; N34-K37 HydrophobicContact CB-CD 4.14Å; N34-K37 HydrophobicContact CB-CG 3.93Å; N34-K37 PolarHBondContact O-N 3.07Å
35	N	45.5	Very low	57.2	Low	140 Å²	140	98.3 Å²	98.3	75%	0.749	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-50.5	-26	165.3	-86.4	-13.2	0	0	0	113.4	K37	N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3.45Å
36	W	45.7	Very low	59.7	Low	165 Å²	165	93.6 Å²	93.6	63%	0.625	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-72.6	-16.7	177.3	55.4	-85.7	0	0	0	114.4	N34	N34-W36 HydrophobicContact CB-CD2 4.16Å; N34-W36 HydrophobicContact CB-CG 4.18Å; N34-W36 HydrophobicContact CB-CZ2 4.21Å; N34-W36 VanDerWaalsContact CB-NE1 3.3Å; N34-W36 VanDerWaalsContact CG-NE1 3.26Å; N34-W36 PolarHBondContact O-N 3.02Å; N34-W36 PolarHBondContact OD1-NE1 2.76Å
37	K	60.5	Low	62.1	Low	103 Å²	103	90.4 Å²	90.4	45%	0.448	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-93.9	-11.3	179.3	-69.6	-169.6	178.5	-168.6	0	114.5	N34 N35 K39 Q40	N34-K37 HydrophobicContact CB-CB 4.22Å; N34-K37 HydrophobicContact CB-CD 4.14Å; N34-K37 HydrophobicContact CB-CG 3.93Å; N34-K37 PolarHBondContact O-N 3.07Å; N35-K37 VanDerWaalsContact C-N 3.31Å; N35-K37 PolarHBondContact O-N 3.45Å; K37-K39 VanDerWaalsContact C-N 3.28Å; K37-K39 PolarHBondContact O-N 3.36Å; K37-Q40 PolarHBondContact O-N 3.4Å
38	L	59.9	Low	64.6	Low	25 Å²	25	85.6 Å²	85.6	13%	0.131	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.9	-170.5	-63.4	169.1	0	0	0	113.4	P273 Y274	L38-P273 HydrophobicContact CB-CB 4.5Å; L38-P273 HydrophobicContact CD1-CB 3.78Å; L38-Y274 HydrophobicContact CB-CE1 4.46Å; L38-Y274 HydrophobicContact CD2-CD1 4.41Å; L38-Y274 HydrophobicContact CD2-CE1 3.41Å; L38-Y274 VanDerWaalsContact CD2-CE1 3.41Å; L38-Y274 HydrophobicContact CD2-CE2 4.42Å; L38-Y274 VanDerWaalsContact CD2-CZ 3.44Å; L38-Y274 WeakPolarHBondContact CD2-OH 3.31Å
39	K	66.5	Low	66.8	Low	79 Å²	79	81.9 Å²	81.9	34%	0.343	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	0.4	-179.2	-54.5	-174.7	-178.7	177.5	0	113.7	K37 E238 L276	K37-K39 VanDerWaalsContact C-N 3.28Å; K37-K39 PolarHBondContact O-N 3.36Å; K39-E238 HydrophobicContact CB-CB 4.11Å; K39-E238 HydrophobicContact CD-CB 4.38Å; K39-E238 HydrophobicContact CD-CG 4.32Å; K39-E238 WeakPolarHBondContact CD-OE1 3.49Å; K39-E238 WeakPolarHBondContact CD-OE2 3.38Å; K39-E238 VanDerWaalsContact NZ-CD 3.26Å; K39-E238 IonicContact NZ-OE1 3.32Å; K39-E238 PolarHBondContact NZ-OE1 2.86Å; K39-E238 IonicContact NZ-OE2 2.85Å; K39-E238 PolarHBondContact NZ-OE2 3.31Å; K39-E238 VanDerWaalsContact NZ-OE2 3.14Å; K39-E238 PolarHBondContact O-N 2.87Å; K39-L276 HydrophobicContact CB-CD1 3.87Å; K39-L276 HydrophobicContact CD-CD1 3.94Å; K39-L276 HydrophobicContact CG-CD1 3.86Å
40	Q	78.3	Confident	69	Low	80 Å²	80	77.8 Å²	77.8	37%	0.374	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-92.2	157.2	172.7	-68.9	-179	-18.3	0	0	109.7	K37 N42 D235	K37-Q40 PolarHBondContact O-N 3.4Å; Q40-N42 PolarHBondContact O-N 2.76Å; Q40-D235 CarbonylContact C-O 3.44Å; Q40-D235 WeakPolarHBondContact CA-O 3.18Å; Q40-D235 WeakPolarHBondContact CB-O 3.48Å
41	F	83.3	Confident	71.3	Confident	29 Å²	29	71 Å²	71	13%	0.127	34%	0.341	C	S	.	.			trans	-59.4	131.9	171.3	178.9	-100.9	0	0	0	109.9	L43 C46 D235 I237 R335	F41-L43 HydrophobicContact CE1-CB 3.83Å; F41-L43 HydrophobicContact CE1-CD1 4.41Å; F41-L43 HydrophobicContact CZ-CB 4.08Å; F41-L43 HydrophobicContact CZ-CD1 3.95Å; F41-C46 HydrophobicContact CE2-CB 4.47Å; F41-D235 HydrophobicContact CB-CB 4.28Å; F41-D235 PolarHBondContact N-O 3.37Å; F41-I237 HydrophobicContact CB-CD1 3.97Å; F41-I237 HydrophobicContact CB-CG1 4.13Å; F41-I237 HydrophobicContact CD2-CD1 4.19Å; F41-R335 HydrophobicContact CD2-CG 4.43Å; F41-R335 VanDerWaalsContact CD2-NE 3.29Å; F41-R335 HydrophobicContact CE2-CG 4.46Å; F41-R335 VanDerWaalsContact CE2-NE 3.33Å; F41-R335 VanDerWaalsContact CG-CZ 3.44Å
42	N	86.9	Confident	73.5	Confident	67 Å²	67	71.5 Å²	71.5	36%	0.358	34%	0.344	S	S	.	.			trans	-136.2	109.1	174.2	179.8	-35.2	0	0	0	108	Q40 E44 L45 C46	Q40-N42 PolarHBondContact O-N 2.76Å; N42-E44 VanDerWaalsContact C-N 3.34Å; N42-E44 PolarHBondContact O-N 3Å; N42-E44 WeakPolarHBondContact OD1-CB 3.45Å; N42-E44 PolarHBondContact OD1-N 3.48Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; N42-L45 HydrophobicContact CB-CB 3.82Å; N42-L45 HydrophobicContact CB-CD2 4.35Å; N42-L45 PolarHBondContact O-N 3.43Å; N42-L45 PolarHBondContact OD1-N 3.45Å; N42-C46 PolarHBondContact O-N 3.27Å
43	L	86.7	Confident	75.8	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-43	-176.2	-179.1	61.8	0	0	0	112.1	F41 L45 C46 N47 E173 H174	F41-L43 HydrophobicContact CE1-CB 3.83Å; F41-L43 HydrophobicContact CE1-CD1 4.41Å; F41-L43 HydrophobicContact CZ-CB 4.08Å; F41-L43 HydrophobicContact CZ-CD1 3.95Å; L43-L45 PolarHBondContact O-N 3.27Å; L43-C46 PolarHBondContact O-N 3.08Å; L43-N47 WeakPolarHBondContact O-CB 3.41Å; L43-N47 PolarHBondContact O-N 2.92Å; L43-N47 PolarHBondContact O-ND2 3.41Å; L43-N47 PolarHBondContact O-OD1 2.83Å; L43-E173 VanDerWaalsContact CD2-CD 3.43Å; L43-E173 HydrophobicContact CD2-CG 4.16Å; L43-E173 WeakPolarHBondContact CD2-OE2 3.37Å; L43-H174 HydrophobicContact CD1-CB 3.59Å
44	E	87.6	Confident	78.1	Confident	123 Å²	123	56.7 Å²	56.7	58%	0.575	28%	0.275	S	S	*	.	H	α-helix	trans	-62.9	-44.2	179.2	-174.2	-174.2	169.1	0	0	111.2	N42 C46 N47 N48	N42-E44 VanDerWaalsContact C-N 3.34Å; N42-E44 PolarHBondContact O-N 3Å; N42-E44 WeakPolarHBondContact OD1-CB 3.45Å; N42-E44 PolarHBondContact OD1-N 3.48Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; E44-C46 VanDerWaalsContact C-N 3.35Å; E44-C46 PolarHBondContact O-N 2.88Å; E44-N47 PolarHBondContact O-N 3.36Å; E44-N48 WeakPolarHBondContact O-CB 3.26Å; E44-N48 PolarHBondContact O-N 3.02Å; E44-N48 PolarHBondContact O-ND2 2.89Å
45	L	87.7	Confident	80.2	Confident	17 Å²	17	54.4 Å²	54.4	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176	179.5	64.3	0	0	0	111.8	L29 N42 L43 N48 L49 Y274 I277	L29-L45 HydrophobicContact CD2-CD1 3.7Å; N42-L45 HydrophobicContact CB-CB 3.82Å; N42-L45 HydrophobicContact CB-CD2 4.35Å; N42-L45 PolarHBondContact O-N 3.43Å; N42-L45 PolarHBondContact OD1-N 3.45Å; L43-L45 PolarHBondContact O-N 3.27Å; L45-N48 PolarHBondContact O-N 2.68Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 PolarHBondContact O-N 3.17Å; L45-Y274 HydrophobicContact CD1-CD1 4.42Å; L45-Y274 HydrophobicContact CD1-CE1 4.08Å; L45-Y274 HydrophobicContact CD2-CD1 3.52Å; L45-Y274 HydrophobicContact CD2-CE1 3.28Å; L45-Y274 HydrophobicContact CG-CE1 4.32Å; L45-I277 HydrophobicContact CD1-CD1 4.25Å; L45-I277 HydrophobicContact CD2-CD1 3.46Å; L45-I277 VanDerWaalsContact CD2-CD1 3.46Å; L45-I277 HydrophobicContact CG-CD1 3.55Å
46	C	90.4	Very high	82.2	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-41.8	175.7	-81.3	0	0	0	0	112.3	F41 N42 L43 E44 N48 L49 T50 C333	F41-C46 HydrophobicContact CE2-CB 4.47Å; N42-C46 PolarHBondContact O-N 3.27Å; L43-C46 PolarHBondContact O-N 3.08Å; E44-C46 VanDerWaalsContact C-N 3.35Å; E44-C46 PolarHBondContact O-N 2.88Å; C46-N48 VanDerWaalsContact C-N 3.34Å; C46-N48 PolarHBondContact O-N 3.06Å; C46-L49 PolarHBondContact O-N 3.38Å; C46-T50 WeakPolarHBondContact O-CB 3.26Å; C46-T50 PolarHBondContact O-N 3.09Å; C46-T50 PolarHBondContact O-OG1 2.85Å; C46-C333 WeakPolarHBondContact CA-SG 3.37Å; C46-C333 HydrophobicContact CB-CB 3.59Å; C46-C333 WeakPolarHBondContact CB-SG 3.48Å; C46-C333 WeakPolarHBondContact SG-CA 3.41Å; C46-C333 WeakPolarHBondContact SG-CB 3.25Å; C46-C333 CovalentContact SG-SG 2.05Å; C46-C333 PolarHBondContact SG-SG 2.69Å
47	N	89.3	Confident	84.3	Confident	41 Å²	41	45 Å²	45	22%	0.219	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-45.6	174.2	-70.4	-15.1	0	0	0	111.1	L43 E44 T50 L51 H174	L43-N47 WeakPolarHBondContact O-CB 3.41Å; L43-N47 PolarHBondContact O-N 2.92Å; L43-N47 PolarHBondContact O-ND2 3.41Å; L43-N47 PolarHBondContact O-OD1 2.83Å; E44-N47 PolarHBondContact O-N 3.36Å; N47-T50 PolarHBondContact O-N 3.16Å; N47-L51 WeakPolarHBondContact O-CG 3.41Å; N47-L51 PolarHBondContact O-N 3.2Å; N47-H174 PolarHBondContact OD1-CD2 2.95Å; N47-H174 PolarHBondContact OD1-CE1 2.83Å; N47-H174 VanDerWaalsContact OD1-CG 3.23Å; N47-H174 PolarHBondContact OD1-ND1 3.3Å; N47-H174 PolarHBondContact OD1-NE2 2.95Å
48	N	88.5	Confident	85.5	Confident	37 Å²	37	41.6 Å²	41.6	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-40.5	176.7	-74.4	-29.1	0	0	0	111.9	E44 L45 C46 L51 N52	E44-N48 WeakPolarHBondContact O-CB 3.26Å; E44-N48 PolarHBondContact O-N 3.02Å; E44-N48 PolarHBondContact O-ND2 2.89Å; L45-N48 PolarHBondContact O-N 2.68Å; C46-N48 VanDerWaalsContact C-N 3.34Å; C46-N48 PolarHBondContact O-N 3.06Å; N48-L51 PolarHBondContact O-N 2.69Å; N48-N52 WeakPolarHBondContact O-CB 3.35Å; N48-N52 PolarHBondContact O-N 3.42Å; N48-N52 PolarHBondContact O-ND2 3.39Å
49	L	88.6	Confident	86.9	Confident	30 Å²	30	47.4 Å²	47.4	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-45.2	175.5	178.1	57.4	0	0	0	111.5	L45 C46 N52 T53 I277 Y278	L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 PolarHBondContact O-N 3.17Å; C46-L49 PolarHBondContact O-N 3.38Å; L49-N52 PolarHBondContact O-N 3.23Å; L49-T53 VanDerWaalsContact O-CB 3.3Å; L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.64Å; L49-T53 PolarHBondContact O-OG1 2.91Å; L49-I277 HydrophobicContact CD2-CD1 4.03Å; L49-I277 HydrophobicContact CD2-CG1 4.36Å; L49-Y278 HydrophobicContact CD1-CD1 3.88Å; L49-Y278 HydrophobicContact CD1-CE1 3.58Å; L49-Y278 HydrophobicContact CD2-CD1 3.82Å; L49-Y278 HydrophobicContact CD2-CE1 4.13Å
50	T	90.1	Very high	87.8	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-48.4	175.6	-61.3	0	0	0	0	110.8	C46 N47 T53 L54 I68 H174 E177 V181	C46-T50 WeakPolarHBondContact O-CB 3.26Å; C46-T50 PolarHBondContact O-N 3.09Å; C46-T50 PolarHBondContact O-OG1 2.85Å; N47-T50 PolarHBondContact O-N 3.16Å; T50-T53 PolarHBondContact O-N 3.25Å; T50-L54 PolarHBondContact O-N 2.84Å; T50-I68 HydrophobicContact CG2-CD1 4.36Å; T50-H174 PolarHBondContact OG1-NE2 2.76Å; T50-E177 HydrophobicContact CG2-CB 4.35Å; T50-V181 HydrophobicContact CG2-CB 3.88Å; T50-V181 HydrophobicContact CG2-CG1 4.04Å; T50-V181 HydrophobicContact CG2-CG2 3.71Å; T50-V181 WeakPolarHBondContact O-CG1 3.48Å
51	L	88.7	Confident	88.1	Confident	20 Å²	20	52.7 Å²	52.7	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-49.3	176.7	-81.7	169.2	0	0	0	113.1	N47 N48 T53 L54 S55 L62 Y65 I68	N47-L51 WeakPolarHBondContact O-CG 3.41Å; N47-L51 PolarHBondContact O-N 3.2Å; N48-L51 PolarHBondContact O-N 2.69Å; L51-T53 VanDerWaalsContact C-N 3.33Å; L51-T53 PolarHBondContact O-N 2.92Å; L51-L54 PolarHBondContact O-N 3.5Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.19Å; L51-S55 PolarHBondContact O-N 3.33Å; L51-S55 PolarHBondContact O-OG 3.45Å; L51-L62 HydrophobicContact CD2-CD1 4.36Å; L51-Y65 HydrophobicContact CD1-CD2 3.72Å; L51-Y65 HydrophobicContact CD2-CD2 3.75Å; L51-Y65 HydrophobicContact CD2-CG 4.45Å; L51-Y65 HydrophobicContact CG-CD2 3.67Å; L51-Y65 HydrophobicContact CG-CE2 4.29Å; L51-I68 HydrophobicContact CD2-CD1 3.28Å; L51-I68 HydrophobicContact CD2-CG1 3.65Å; L51-I68 HydrophobicContact CG-CD1 3.82Å
52	N	89.2	Confident	87.9	Confident	89 Å²	89	52 Å²	52	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-40.6	-178.2	-73.2	-24.8	0	0	0	111.2	N48 L49 S55 S56	N48-N52 WeakPolarHBondContact O-CB 3.35Å; N48-N52 PolarHBondContact O-N 3.42Å; N48-N52 PolarHBondContact O-ND2 3.39Å; L49-N52 PolarHBondContact O-N 3.23Å; N52-S55 PolarHBondContact O-N 3.41Å; N52-S56 VanDerWaalsContact O-CB 3.3Å; N52-S56 WeakPolarHBondContact O-CB 3.29Å; N52-S56 PolarHBondContact O-N 2.86Å
53	T	90.2	Very high	87.2	Confident	30 Å²	30	55.2 Å²	55.2	18%	0.184	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-49.4	176.5	-59.4	0	0	0	0	110.7	L49 T50 L51 S57 V181	L49-T53 VanDerWaalsContact O-CB 3.3Å; L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.64Å; L49-T53 PolarHBondContact O-OG1 2.91Å; T50-T53 PolarHBondContact O-N 3.25Å; L51-T53 VanDerWaalsContact C-N 3.33Å; L51-T53 PolarHBondContact O-N 2.92Å; T53-S57 WeakPolarHBondContact O-CB 3.22Å; T53-S57 PolarHBondContact O-N 2.87Å; T53-S57 PolarHBondContact O-OG 3.43Å; T53-V181 HydrophobicContact CG2-CG1 4.17Å
54	L	89.8	Confident	87	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-47.8	178.9	-168.8	62.5	0	0	0	111.7	T50 L51 S56 S57 L58 L62 I68 V181 I184	T50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.5Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.33Å; L54-S57 PolarHBondContact O-N 3.17Å; L54-S57 VanDerWaalsContact O-N 3.14Å; L54-S57 PolarHBondContact O-OG 3.38Å; L54-L58 HydrophobicContact CD1-CD1 3.95Å; L54-L58 HydrophobicContact CD1-CG 4.09Å; L54-L58 HydrophobicContact CD2-CD1 4.32Å; L54-L58 HydrophobicContact CG-CD1 3.77Å; L54-L58 HydrophobicContact CG-CG 4.24Å; L54-L58 WeakPolarHBondContact O-CB 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.3Å; L54-L58 PolarHBondContact O-N 3.46Å; L54-L62 HydrophobicContact CB-CD1 4.2Å; L54-L62 HydrophobicContact CD2-CD1 3.93Å; L54-L62 HydrophobicContact CG-CD1 4.19Å; L54-I68 HydrophobicContact CD2-CB 3.91Å; L54-I68 HydrophobicContact CD2-CG1 3.74Å; L54-I68 HydrophobicContact CD2-CG2 3.76Å; L54-V181 HydrophobicContact CB-CG1 3.78Å; L54-V181 HydrophobicContact CD1-CG1 4.35Å; L54-V181 HydrophobicContact CD2-CG2 4.41Å; L54-I184 HydrophobicContact CD1-CG2 4.08Å
55	S	89.9	Confident	86.5	Confident	19 Å²	19	57.5 Å²	57.5	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-53.5	-49.1	178.6	-64.3	0	0	0	0	111.8	L51 N52 L58 N59 R60 L62	L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.19Å; L51-S55 PolarHBondContact O-N 3.33Å; L51-S55 PolarHBondContact O-OG 3.45Å; N52-S55 PolarHBondContact O-N 3.41Å; S55-L58 PolarHBondContact O-N 3.12Å; S55-N59 PolarHBondContact O-N 2.87Å; S55-N59 VanDerWaalsContact O-N 3.09Å; S55-R60 CarbonylContact C-O 3.53Å; S55-R60 VanDerWaalsContact C-O 3.3Å; S55-R60 WeakPolarHBondContact CA-O 3.47Å; S55-R60 WeakPolarHBondContact CB-O 3.3Å; S55-R60 PolarHBondContact O-N 3.32Å; S55-L62 WeakPolarHBondContact OG-CD1 3.49Å; S55-L62 WeakPolarHBondContact OG-CG 3.31Å
56	S	89.3	Confident	86.3	Confident	98 Å²	98	60.1 Å²	60.1	69%	0.685	31%	0.313	S	S	*	.	H	α-helix	trans	-62	-46.4	176.5	-173.8	0	0	0	0	111.8	N52 L54 L58 N59	N52-S56 VanDerWaalsContact O-CB 3.3Å; N52-S56 WeakPolarHBondContact O-CB 3.29Å; N52-S56 PolarHBondContact O-N 2.86Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.33Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.04Å; S56-N59 PolarHBondContact O-N 3.43Å; S56-N59 VanDerWaalsContact O-N 3.12Å
57	S	88.3	Confident	86	Confident	8 Å²	8	61.1 Å²	61.1	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-31.6	-178.2	74.2	0	0	0	0	113.3	T53 L54 Q192	T53-S57 WeakPolarHBondContact O-CB 3.22Å; T53-S57 PolarHBondContact O-N 2.87Å; T53-S57 PolarHBondContact O-OG 3.43Å; L54-S57 PolarHBondContact O-N 3.17Å; L54-S57 VanDerWaalsContact O-N 3.14Å; L54-S57 PolarHBondContact O-OG 3.38Å; S57-Q192 PolarHBondContact O-NE2 3.14Å
58	L	87.2	Confident	85.8	Confident	32 Å²	32	59.2 Å²	59.2	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-88.6	-5.1	178.5	-63.3	-179.6	0	0	0	112.8	L54 S55 S56 R60 Y71	L54-L58 HydrophobicContact CD1-CD1 3.95Å; L54-L58 HydrophobicContact CD1-CG 4.09Å; L54-L58 HydrophobicContact CD2-CD1 4.32Å; L54-L58 HydrophobicContact CG-CD1 3.77Å; L54-L58 HydrophobicContact CG-CG 4.24Å; L54-L58 WeakPolarHBondContact O-CB 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.3Å; L54-L58 PolarHBondContact O-N 3.46Å; S55-L58 PolarHBondContact O-N 3.12Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.04Å; L58-R60 HydrophobicContact CB-CB 4.23Å; L58-R60 HydrophobicContact CB-CG 4.42Å; L58-R60 WeakPolarHBondContact O-CG 2.66Å; L58-R60 PolarHBondContact O-N 2.98Å; L58-Y71 HydrophobicContact CD1-CD1 3.8Å; L58-Y71 HydrophobicContact CD1-CD2 3.69Å; L58-Y71 HydrophobicContact CD1-CE1 4.23Å; L58-Y71 HydrophobicContact CD1-CE2 4.13Å; L58-Y71 HydrophobicContact CD1-CG 3.51Å
59	N	88.5	Confident	85.9	Confident	147 Å²	147	57.9 Å²	57.9	79%	0.786	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	46.1	-169.2	-168.2	27.4	0	0	0	111.9	S55 S56	S55-N59 PolarHBondContact O-N 2.87Å; S55-N59 VanDerWaalsContact O-N 3.09Å; S56-N59 PolarHBondContact O-N 3.43Å; S56-N59 VanDerWaalsContact O-N 3.12Å
60	R	84.9	Confident	85.9	Confident	150 Å²	150	63.7 Å²	63.7	57%	0.566	32%	0.324	S	S	*	.	S	Bend	trans	-140.2	143.2	-175.5	-74.8	175.1	-176.5	-113.7	-2.7	110.2	S55 L58	S55-R60 CarbonylContact C-O 3.53Å; S55-R60 VanDerWaalsContact C-O 3.3Å; S55-R60 WeakPolarHBondContact CA-O 3.47Å; S55-R60 WeakPolarHBondContact CB-O 3.3Å; S55-R60 PolarHBondContact O-N 3.32Å; L58-R60 HydrophobicContact CB-CB 4.23Å; L58-R60 HydrophobicContact CB-CG 4.42Å; L58-R60 WeakPolarHBondContact O-CG 2.66Å; L58-R60 PolarHBondContact O-N 2.98Å
61	T	85.7	Confident	86	Confident	120 Å²	120	67.5 Å²	67.5	74%	0.736	34%	0.338	S	S	*	.			trans	-84.9	114.9	166	-54.5	0	0	0	0	108.2
62	L	77.7	Confident	86.3	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.073	34%	0.335	C	S	.	.			trans	-78.2	121.3	171.7	-61.9	175.1	0	0	0	108.5	L51 L54 S55 D67 I68 Y71	L51-L62 HydrophobicContact CD2-CD1 4.36Å; L54-L62 HydrophobicContact CB-CD1 4.2Å; L54-L62 HydrophobicContact CD2-CD1 3.93Å; L54-L62 HydrophobicContact CG-CD1 4.19Å; S55-L62 WeakPolarHBondContact OG-CD1 3.49Å; S55-L62 WeakPolarHBondContact OG-CG 3.31Å; L62-D67 HydrophobicContact CB-CB 4.48Å; L62-D67 HydrophobicContact CD2-CB 3.91Å; L62-I68 HydrophobicContact CD1-CG1 3.9Å; L62-Y71 HydrophobicContact CD2-CD2 4.29Å; L62-Y71 HydrophobicContact CD2-CE2 3.85Å
63	L	72.7	Confident	86.6	Confident	135 Å²	135	63.5 Å²	63.5	71%	0.707	32%	0.318	S	S	*	.	S	Bend	trans	-77.5	-34.3	-176.7	-67.3	171.9	0	0	0	111.3
64	Y	82.5	Confident	87	Confident	148 Å²	148	65.6 Å²	65.6	58%	0.58	33%	0.325	S	S	*	.	S	Bend	trans	-130.4	147.6	-179.3	-56.4	-76.4	0	0	0	111.4	T66 D67	Y64-T66 PolarHBondContact O-N 2.63Å; Y64-T66 VanDerWaalsContact O-N 3.14Å; Y64-D67 PolarHBondContact N-OD2 2.64Å; Y64-D67 VanDerWaalsContact N-OD2 3.16Å; Y64-D67 VanDerWaalsContact O-CB 3.31Å; Y64-D67 WeakPolarHBondContact O-CB 3.16Å; Y64-D67 PolarHBondContact O-N 3.14Å
65	Y	78.3	Confident	87.4	Confident	67 Å²	67	65.6 Å²	65.6	26%	0.263	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-56.8	-32.4	176.6	177.7	-100.2	0	0	0	112.6	L51 D67 I68 Y69 H174	L51-Y65 HydrophobicContact CD1-CD2 3.72Å; L51-Y65 HydrophobicContact CD2-CD2 3.75Å; L51-Y65 HydrophobicContact CD2-CG 4.45Å; L51-Y65 HydrophobicContact CG-CD2 3.67Å; L51-Y65 HydrophobicContact CG-CE2 4.29Å; Y65-D67 PolarHBondContact O-N 3.29Å; Y65-I68 HydrophobicContact CD2-CD1 3.79Å; Y65-I68 HydrophobicContact CE2-CD1 3.66Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 PolarHBondContact O-N 2.95Å; Y65-Y69 HydrophobicContact CD1-CE2 4.5Å; Y65-Y69 HydrophobicContact CE1-CE2 4.33Å; Y65-Y69 AromaticContact CE1-CZ 3.93Å; Y65-Y69 WeakPolarHBondContact CE1-OH 2.92Å; Y65-H174 AromaticContact CZ-CE1 3.99Å; Y65-H174 PolarHBondContact OH-CE1 3.45Å; Y65-H174 PolarHBondContact OH-ND1 2.89Å; Y65-H174 VanDerWaalsContact OH-ND1 3.14Å
66	T	82.9	Confident	87.9	Confident	71 Å²	71	64.7 Å²	64.7	44%	0.436	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.5	-17.3	177.4	58.2	0	0	0	0	114.1	Y64 I68 Y69 L103	Y64-T66 PolarHBondContact O-N 2.63Å; Y64-T66 VanDerWaalsContact O-N 3.14Å; T66-I68 VanDerWaalsContact C-N 3.25Å; T66-I68 PolarHBondContact O-N 3.44Å; T66-Y69 VanDerWaalsContact O-CD2 3.28Å; T66-Y69 WeakPolarHBondContact O-CD2 3.46Å; T66-Y69 PolarHBondContact O-N 2.86Å; T66-L103 HydrophobicContact CG2-CD1 3.49Å; T66-L103 VanDerWaalsContact CG2-CD1 3.49Å
67	D	84.6	Confident	88.3	Confident	23 Å²	23	60 Å²	60	12%	0.123	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-69.5	-24	177.4	-69.7	-40.3	0	0	0	112.4	L62 Y64 Y65 Y69 K70 Y71	L62-D67 HydrophobicContact CB-CB 4.48Å; L62-D67 HydrophobicContact CD2-CB 3.91Å; Y64-D67 PolarHBondContact N-OD2 2.64Å; Y64-D67 VanDerWaalsContact N-OD2 3.16Å; Y64-D67 VanDerWaalsContact O-CB 3.31Å; Y64-D67 WeakPolarHBondContact O-CB 3.16Å; Y64-D67 PolarHBondContact O-N 3.14Å; Y65-D67 PolarHBondContact O-N 3.29Å; D67-Y69 PolarHBondContact O-N 3.39Å; D67-K70 WeakPolarHBondContact O-CB 3.01Å; D67-K70 PolarHBondContact O-N 2.94Å; D67-K70 IonicContact OD1-NZ 3.24Å; D67-K70 PolarHBondContact OD1-NZ 3.36Å; D67-Y71 VanDerWaalsContact O-CD2 3.27Å; D67-Y71 WeakPolarHBondContact O-CD2 3.45Å
68	I	85.2	Confident	88.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-50.3	-46.2	175.9	-73.8	173.2	0	0	0	110.7	T50 L51 L54 L62 Y65 T66 K70 Y71 I72 V181	T50-I68 HydrophobicContact CG2-CD1 4.36Å; L51-I68 HydrophobicContact CD2-CD1 3.28Å; L51-I68 HydrophobicContact CD2-CG1 3.65Å; L51-I68 HydrophobicContact CG-CD1 3.82Å; L54-I68 HydrophobicContact CD2-CB 3.91Å; L54-I68 HydrophobicContact CD2-CG1 3.74Å; L54-I68 HydrophobicContact CD2-CG2 3.76Å; L62-I68 HydrophobicContact CD1-CG1 3.9Å; Y65-I68 HydrophobicContact CD2-CD1 3.79Å; Y65-I68 HydrophobicContact CE2-CD1 3.66Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 PolarHBondContact O-N 2.95Å; T66-I68 VanDerWaalsContact C-N 3.25Å; T66-I68 PolarHBondContact O-N 3.44Å; I68-K70 PolarHBondContact O-N 3.37Å; I68-K70 VanDerWaalsContact O-N 3.12Å; I68-Y71 PolarHBondContact O-N 2.05Å; I68-I72 HydrophobicContact CG2-CD1 3.41Å; I68-I72 VanDerWaalsContact CG2-CD1 3.41Å; I68-I72 HydrophobicContact CG2-CG1 3.97Å; I68-I72 PolarHBondContact O-N 3.49Å; I68-V181 HydrophobicContact CG2-CG2 4.16Å
69	Y	89.5	Confident	89.4	Confident	9 Å²	9	58.2 Å²	58.2	4%	0.035	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.9	-170.2	-54.2	-56.8	0	0	0	113.9	Y65 T66 D67 Y71 I72 S101 L103 L104 N108 E177	Y65-Y69 HydrophobicContact CD1-CE2 4.5Å; Y65-Y69 HydrophobicContact CE1-CE2 4.33Å; Y65-Y69 AromaticContact CE1-CZ 3.93Å; Y65-Y69 WeakPolarHBondContact CE1-OH 2.92Å; T66-Y69 VanDerWaalsContact O-CD2 3.28Å; T66-Y69 WeakPolarHBondContact O-CD2 3.46Å; T66-Y69 PolarHBondContact O-N 2.86Å; D67-Y69 PolarHBondContact O-N 3.39Å; Y69-Y71 PolarHBondContact O-N 2.96Å; Y69-I72 HydrophobicContact CD1-CD1 4.29Å; Y69-S101 WeakPolarHBondContact OH-CB 3.23Å; Y69-S101 PolarHBondContact OH-OG 2.77Å; Y69-L103 HydrophobicContact CD2-CB 3.53Å; Y69-L103 HydrophobicContact CD2-CD1 3.94Å; Y69-L103 HydrophobicContact CD2-CG 4.33Å; Y69-L103 HydrophobicContact CE2-CB 3.39Å; Y69-L103 HydrophobicContact CE2-CD1 3.56Å; Y69-L103 HydrophobicContact CE2-CG 4.13Å; Y69-L103 HydrophobicContact CG-CB 4.15Å; Y69-L104 HydrophobicContact CD1-CB 3.92Å; Y69-L104 HydrophobicContact CD1-CD1 3.8Å; Y69-L104 HydrophobicContact CD1-CG 4.48Å; Y69-L104 HydrophobicContact CE1-CB 3.65Å; Y69-L104 HydrophobicContact CE1-CD1 4.08Å; Y69-L104 HydrophobicContact CE1-CG 4.41Å; Y69-N108 PolarHBondContact O-ND2 3.45Å; Y69-N108 PolarHBondContact O-OD1 3.43Å; Y69-E177 HydrophobicContact CE1-CG 4.2Å; Y69-E177 PolarHBondContact OH-OE1 2.75Å
70	K	89.4	Confident	89.8	Confident	152 Å²	152	51.9 Å²	51.9	66%	0.661	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-67.8	-24	175	-63.6	171.2	-178.3	163.2	0	112.4	D67 I68	D67-K70 WeakPolarHBondContact O-CB 3.01Å; D67-K70 PolarHBondContact O-N 2.94Å; D67-K70 IonicContact OD1-NZ 3.24Å; D67-K70 PolarHBondContact OD1-NZ 3.36Å; I68-K70 PolarHBondContact O-N 3.37Å; I68-K70 VanDerWaalsContact O-N 3.12Å
71	Y	90.9	Very high	90.4	Very high	85 Å²	85	45 Å²	45	33%	0.333	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-6.3	-174	-59.1	-74.5	0	0	0	113.4	L58 L62 D67 I68 Y69 P73	L58-Y71 HydrophobicContact CD1-CD1 3.8Å; L58-Y71 HydrophobicContact CD1-CD2 3.69Å; L58-Y71 HydrophobicContact CD1-CE1 4.23Å; L58-Y71 HydrophobicContact CD1-CE2 4.13Å; L58-Y71 HydrophobicContact CD1-CG 3.51Å; L62-Y71 HydrophobicContact CD2-CD2 4.29Å; L62-Y71 HydrophobicContact CD2-CE2 3.85Å; D67-Y71 VanDerWaalsContact O-CD2 3.27Å; D67-Y71 WeakPolarHBondContact O-CD2 3.45Å; I68-Y71 PolarHBondContact O-N 2.05Å; Y69-Y71 PolarHBondContact O-N 2.96Å; Y71-P73 WeakPolarHBondContact O-CD 3.01Å
72	I	95.1	Very high	90.9	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.041	19%	0.187	C	C	.	.			trans	-80.5	124.9	175.4	-66.4	176.6	0	0	0	109	I68 Y69 I75 L104 N108 V180 V181 I184	I68-I72 HydrophobicContact CG2-CD1 3.41Å; I68-I72 VanDerWaalsContact CG2-CD1 3.41Å; I68-I72 HydrophobicContact CG2-CG1 3.97Å; I68-I72 PolarHBondContact O-N 3.49Å; Y69-I72 HydrophobicContact CD1-CD1 4.29Å; I72-I75 HydrophobicContact CG2-CD1 3.83Å; I72-I75 HydrophobicContact CG2-CG1 4.42Å; I72-L104 HydrophobicContact CB-CD1 4.43Å; I72-L104 HydrophobicContact CD1-CD1 3.58Å; I72-L104 HydrophobicContact CG2-CD1 4.03Å; I72-N108 HydrophobicContact CB-CB 4.5Å; I72-N108 HydrophobicContact CG2-CB 4Å; I72-N108 PolarHBondContact O-ND2 3.24Å; I72-V180 HydrophobicContact CD1-CG2 3.81Å; I72-V180 HydrophobicContact CG1-CG2 4.28Å; I72-V180 HydrophobicContact CG2-CG2 4.02Å; I72-V181 HydrophobicContact CD1-CG2 4.36Å; I72-I184 HydrophobicContact CB-CD1 4.39Å; I72-I184 HydrophobicContact CG1-CD1 3.97Å
73	P	96.7	Very high	91.7	Very high	18 Å²	18	43 Å²	43	12%	0.117	20%	0.201	C	C	.	.			trans	-62.2	175.1	173	-18.8	29.4	0	0	0	113	Y71 E160 I161 I184 W293	Y71-P73 WeakPolarHBondContact O-CD 3.01Å; P73-E160 HydrophobicContact CB-CB 3.91Å; P73-E160 HydrophobicContact CB-CG 4.43Å; P73-E160 WeakPolarHBondContact CB-OE1 3.45Å; P73-I161 HydrophobicContact CB-CD1 4.25Å; P73-I161 HydrophobicContact CB-CG1 4.37Å; P73-I161 HydrophobicContact CG-CD1 3.97Å; P73-I161 HydrophobicContact CG-CG1 4.42Å; P73-I184 HydrophobicContact CG-CG1 4.46Å; P73-W293 HydrophobicContact CB-CH2 4.23Å; P73-W293 HydrophobicContact CB-CZ3 4.08Å; P73-W293 HydrophobicContact CG-CH2 3.31Å; P73-W293 HydrophobicContact CG-CZ2 4.29Å; P73-W293 HydrophobicContact CG-CZ3 3.66Å
74	K	98.2	Very high	92.7	Very high	73 Å²	73	37.9 Å²	37.9	32%	0.317	17%	0.173	S	C	.	.			trans	-71.3	138.8	174.5	-62.1	-46.9	-175.4	-171.8	0	111.5	N107 N108 K110 G159 E160 I161	K74-N107 PolarHBondContact NZ-O 3.4Å; K74-N108 WeakPolarHBondContact CA-O 3.3Å; K74-K110 HydrophobicContact CB-CG 3.71Å; K74-K110 HydrophobicContact CD-CD 4.21Å; K74-K110 HydrophobicContact CD-CG 4.12Å; K74-K110 HydrophobicContact CG-CD 4.38Å; K74-K110 HydrophobicContact CG-CG 3.99Å; K74-G159 CarbonylContact O-C 3.5Å; K74-G159 WeakPolarHBondContact O-CA 3.41Å; K74-E160 PolarHBondContact N-OE1 2.61Å; K74-E160 PolarHBondContact O-N 2.61Å; K74-I161 PolarHBondContact O-N 3.4Å
75	I	98.7	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	-175.5	-58	157.6	0	0	0	109.3	I72 I77 L104 N108 K110 I161 V163 L176 V180	I72-I75 HydrophobicContact CG2-CD1 3.83Å; I72-I75 HydrophobicContact CG2-CG1 4.42Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å; I75-L104 HydrophobicContact CD1-CD1 4.31Å; I75-N108 HydrophobicContact CD1-CB 4.3Å; I75-N108 PolarHBondContact N-O 3.34Å; I75-K110 PolarHBondContact O-N 2.87Å; I75-I161 WeakPolarHBondContact CA-O 3.46Å; I75-I161 HydrophobicContact CG1-CB 4.24Å; I75-V163 HydrophobicContact CG2-CG2 3.65Å; I75-L176 HydrophobicContact CD1-CD2 4.23Å; I75-V180 HydrophobicContact CD1-CG1 3.9Å; I75-V180 HydrophobicContact CD1-CG2 4.48Å; I75-V180 HydrophobicContact CG1-CG1 4.35Å
76	S	98.8	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	165.7	-66.4	0	0	0	0	109.1	E111 T158 G159 I161 V163	S76-E111 WeakPolarHBondContact OG-CG 3.46Å; S76-E111 PolarHBondContact OG-OE1 3.24Å; S76-T158 PolarHBondContact OG-N 2.98Å; S76-G159 WeakPolarHBondContact OG-CA 3.47Å; S76-G159 PolarHBondContact OG-N 2.97Å; S76-I161 PolarHBondContact N-O 2.73Å; S76-V163 PolarHBondContact O-N 2.79Å
77	I	98.8	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.7	175.6	-57.7	173.5	0	0	0	107.9	I75 I79 I96 V109 E111 I112 I113 V163 L165 W175	I75-I77 HydrophobicContact CG2-CG1 4.28Å; I77-I79 HydrophobicContact CG2-CG1 4.33Å; I77-I96 HydrophobicContact CD1-CG2 3.93Å; I77-V109 HydrophobicContact CD1-CG1 4.25Å; I77-E111 PolarHBondContact N-O 2.95Å; I77-I112 HydrophobicContact CB-CG1 4.17Å; I77-I112 HydrophobicContact CD1-CG1 4.31Å; I77-I112 CarbonylContact O-C 3.3Å; I77-I112 WeakPolarHBondContact O-CA 3.47Å; I77-I113 PolarHBondContact O-N 2.95Å; I77-V163 CarbonylContact C-O 3.46Å; I77-V163 WeakPolarHBondContact CA-O 3.42Å; I77-V163 HydrophobicContact CG1-CB 4.2Å; I77-L165 HydrophobicContact CG2-CD1 3.94Å; I77-L165 HydrophobicContact CG2-CG 4.36Å; I77-W175 HydrophobicContact CD1-CH2 4.39Å; I77-W175 HydrophobicContact CD1-CZ2 4.32Å
78	I	98.8	Very high	94.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.7	-176.5	-60.4	158.3	0	0	0	108.5	I113 A154 A157 L162 V163 F164 L165	I78-I113 WeakPolarHBondContact CA-O 3.46Å; I78-A154 HydrophobicContact CD1-CB 4.12Å; I78-A157 HydrophobicContact CD1-CB 4.41Å; I78-L162 HydrophobicContact CD1-CB 4.28Å; I78-L162 HydrophobicContact CD1-CD1 4.41Å; I78-L162 HydrophobicContact CD1-CD2 4.1Å; I78-L162 HydrophobicContact CD1-CG 4.49Å; I78-V163 PolarHBondContact N-O 2.95Å; I78-F164 HydrophobicContact CB-CD1 3.92Å; I78-F164 HydrophobicContact CB-CE1 4.11Å; I78-F164 HydrophobicContact CD1-CD1 4.18Å; I78-F164 HydrophobicContact CD1-CE1 3.6Å; I78-F164 HydrophobicContact CD1-CZ 3.86Å; I78-F164 HydrophobicContact CG1-CE1 4.48Å; I78-F164 HydrophobicContact CG2-CD1 4Å; I78-F164 HydrophobicContact CG2-CE1 4.02Å; I78-L165 PolarHBondContact O-N 2.93Å
79	I	98.7	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.9	176.9	-60.5	173.4	0	0	0	107.9	I77 T92 L93 I96 I112 I113 L114 I115 L165 A167	I77-I79 HydrophobicContact CG2-CG1 4.33Å; I79-T92 HydrophobicContact CD1-CG2 4.35Å; I79-L93 HydrophobicContact CD1-CD2 3.94Å; I79-I96 HydrophobicContact CD1-CD1 3.72Å; I79-I112 HydrophobicContact CD1-CG2 3.97Å; I79-I112 HydrophobicContact CG1-CG2 4.47Å; I79-I113 PolarHBondContact N-O 3.14Å; I79-L114 HydrophobicContact CB-CD1 3.93Å; I79-L114 HydrophobicContact CG2-CD1 3.73Å; I79-L114 CarbonylContact O-C 3.55Å; I79-L114 WeakPolarHBondContact O-CA 3.31Å; I79-I115 PolarHBondContact O-N 3.16Å; I79-L165 HydrophobicContact CG1-CB 4.09Å; I79-A167 HydrophobicContact CG2-CB 3.97Å
80	V	98.2	Very high	95.8	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.1	172.4	178.5	0	0	0	0	108.9	I115 D117 L146 R150 A167	V80-I115 HydrophobicContact CG2-CB 4.16Å; V80-I115 HydrophobicContact CG2-CG1 4.48Å; V80-D117 HydrophobicContact CG1-CB 4.12Å; V80-L146 HydrophobicContact CB-CD1 3.94Å; V80-L146 HydrophobicContact CG1-CD1 4.15Å; V80-L146 HydrophobicContact CG2-CD1 4.35Å; V80-R150 HydrophobicContact CG2-CB 4.39Å; V80-R150 HydrophobicContact CG2-CG 3.6Å; V80-A167 WeakPolarHBondContact O-CB 3.4Å
81	T	97.2	Very high	96.1	Very high	5 Å²	5	37 Å²	37	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.2	178.7	171.3	0	0	0	0	110.7	E84 L89 L114 I115 D117 I123	T81-E84 VanDerWaalsContact OG1-CB 3.23Å; T81-E84 WeakPolarHBondContact OG1-CB 3.31Å; T81-L89 HydrophobicContact CG2-CD2 4.32Å; T81-L114 HydrophobicContact CG2-CD1 3.58Å; T81-L114 HydrophobicContact CG2-CG 4.1Å; T81-I115 WeakPolarHBondContact CG2-O 3.36Å; T81-I115 PolarHBondContact N-O 2.96Å; T81-D117 PolarHBondContact O-N 2.97Å; T81-I123 HydrophobicContact CG2-CD1 3.29Å
82	H	95.9	Very high	96.5	Very high	25 Å²	25	33 Å²	33	12%	0.116	16%	0.164	C	C	.	.	S	Bend	trans	-145.1	117.9	171.9	176.1	75.1	0	0	0	108.9	E84 D117 Y118 S119 R143	H82-E84 PolarHBondContact O-N 3.06Å; H82-D117 HydrophobicContact CB-CB 4.21Å; H82-D117 PolarHBondContact ND1-O 3.21Å; H82-Y118 PolarHBondContact CE1-O 3.33Å; H82-Y118 VanDerWaalsContact CE1-O 3.3Å; H82-Y118 PolarHBondContact ND1-O 3.38Å; H82-S119 WeakPolarHBondContact CA-OG 3.49Å; H82-R143 PolarHBondContact CD2-NH1 3.18Å; H82-R143 PolarHBondContact CE1-NH1 2.92Å; H82-R143 VanDerWaalsContact CG-CZ 3.47Å; H82-R143 WeakPolarHBondContact ND1-CD 3.27Å; H82-R143 PolarHBondContact NE2-NH1 2.82Å
83	N	94.7	Very high	96.6	Very high	67 Å²	67	32.7 Å²	32.7	36%	0.358	16%	0.162	S	C	.	.	S	Bend	trans	50.2	30.7	-178.8	-66.4	-13.7	0	0	0	113.5	S119 N120	N83-S119 PolarHBondContact N-OG 3.16Å; N83-S119 WeakPolarHBondContact OD1-CA 3.35Å; N83-S119 WeakPolarHBondContact OD1-CB 3.47Å; N83-N120 PolarHBondContact OD1-N 3.49Å; N83-N120 PolarHBondContact OD1-O 2.91Å
84	E	94.3	Very high	96.6	Very high	27 Å²	27	36.3 Å²	36.3	13%	0.126	18%	0.176	C	C	.	.			trans	-73.7	144.6	179.4	-171	59	-84.8	0	0	110.3	T81 H82 I86 I88 L89 A167 H168 R341	T81-E84 VanDerWaalsContact OG1-CB 3.23Å; T81-E84 WeakPolarHBondContact OG1-CB 3.31Å; H82-E84 PolarHBondContact O-N 3.06Å; E84-I86 PolarHBondContact O-N 3.17Å; E84-I88 HydrophobicContact CG-CG2 4.48Å; E84-L89 HydrophobicContact CG-CB 4.31Å; E84-A167 HydrophobicContact CG-CB 4.1Å; E84-H168 IonicContact OE2-CE1 2.74Å; E84-H168 IonicContact OE2-CG 3.29Å; E84-H168 IonicContact OE2-ND1 2.81Å; E84-H168 PolarHBondContact OE2-ND1 2.9Å; E84-R341 IonicContact OE1-CZ 2.7Å; E84-R341 VanDerWaalsContact OE1-CZ 3.29Å; E84-R341 IonicContact OE1-NH1 3.78Å; E84-R341 PolarHBondContact OE1-NH1 3.44Å; E84-R341 IonicContact OE1-NH2 2.63Å; E84-R341 PolarHBondContact OE1-NH2 3.17Å; E84-R341 IonicContact OE2-CZ 2.92Å; E84-R341 IonicContact OE2-NH1 2.71Å; E84-R341 PolarHBondContact OE2-NH1 3.47Å; E84-R341 IonicContact OE2-NH2 3.14Å; E84-R341 PolarHBondContact OE2-NH2 2.97Å
85	N	92.9	Very high	96.6	Very high	79 Å²	79	33.3 Å²	33.3	42%	0.422	16%	0.164	S	C	.	.			trans	-58.5	125.8	174	-179.2	-69.2	0	0	0	109.8	F87 I88 L89	N85-F87 PolarHBondContact O-N 2.94Å; N85-F87 WeakPolarHBondContact OD1-CA 3.13Å; N85-F87 VanDerWaalsContact OD1-CB 3.3Å; N85-F87 WeakPolarHBondContact OD1-CB 3.45Å; N85-F87 PolarHBondContact OD1-N 3.32Å; N85-I88 HydrophobicContact CB-CB 4.18Å; N85-I88 HydrophobicContact CB-CD1 3.84Å; N85-I88 HydrophobicContact CB-CG1 3.94Å; N85-I88 WeakPolarHBondContact O-CB 3.23Å; N85-I88 PolarHBondContact O-N 3.05Å; N85-I88 PolarHBondContact OD1-N 3.28Å; N85-L89 PolarHBondContact O-N 3.18Å
86	I	93	Very high	96.6	Very high	53 Å²	53	33.3 Å²	33.3	27%	0.272	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-32	-174.4	-170.7	57.6	0	0	0	113.1	E84 L89 K90 I128	E84-I86 PolarHBondContact O-N 3.17Å; I86-L89 HydrophobicContact CD1-CD2 4.48Å; I86-K90 HydrophobicContact CD1-CG 4.31Å; I86-K90 HydrophobicContact CG1-CD 4.22Å; I86-K90 HydrophobicContact CG1-CG 4.42Å; I86-K90 VanDerWaalsContact O-CB 3.3Å; I86-K90 WeakPolarHBondContact O-CB 3.02Å; I86-K90 WeakPolarHBondContact O-CG 3.39Å; I86-K90 PolarHBondContact O-N 3.38Å; I86-I128 HydrophobicContact CD1-CD1 4.16Å
87	F	93.6	Very high	96.5	Very high	144 Å²	144	35.2 Å²	35.2	63%	0.632	17%	0.174	S	C	*	.	H	α-helix	trans	-71.3	-40.5	176.5	-60.7	-78.1	0	0	0	111.5	N85 K90 N91	N85-F87 PolarHBondContact O-N 2.94Å; N85-F87 WeakPolarHBondContact OD1-CA 3.13Å; N85-F87 VanDerWaalsContact OD1-CB 3.3Å; N85-F87 WeakPolarHBondContact OD1-CB 3.45Å; N85-F87 PolarHBondContact OD1-N 3.32Å; F87-K90 PolarHBondContact O-N 3.14Å; F87-N91 WeakPolarHBondContact O-CB 3.46Å; F87-N91 PolarHBondContact O-N 2.88Å; F87-N91 PolarHBondContact O-ND2 3Å; F87-N91 PolarHBondContact O-OD1 3.07Å
88	I	94.9	Very high	96.3	Very high	33 Å²	33	41.4 Å²	41.4	17%	0.169	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-50.3	175.2	-64.3	178.8	0	0	0	109.8	E84 N85 K90 N91 T92 H168 M339	E84-I88 HydrophobicContact CG-CG2 4.48Å; N85-I88 HydrophobicContact CB-CB 4.18Å; N85-I88 HydrophobicContact CB-CD1 3.84Å; N85-I88 HydrophobicContact CB-CG1 3.94Å; N85-I88 WeakPolarHBondContact O-CB 3.23Å; N85-I88 PolarHBondContact O-N 3.05Å; N85-I88 PolarHBondContact OD1-N 3.28Å; I88-K90 VanDerWaalsContact C-N 3.35Å; I88-K90 PolarHBondContact O-N 3.23Å; I88-N91 WeakPolarHBondContact O-CB 3.35Å; I88-N91 PolarHBondContact O-N 3.32Å; I88-N91 VanDerWaalsContact O-N 3.12Å; I88-T92 PolarHBondContact O-N 3.25Å; I88-T92 PolarHBondContact O-OG1 3.26Å; I88-H168 HydrophobicContact CG2-CB 3.57Å; I88-M339 HydrophobicContact CD1-CE 3.69Å; I88-M339 HydrophobicContact CD1-SD 4.21Å; I88-M339 HydrophobicContact CG1-CE 4.18Å; I88-M339 HydrophobicContact CG1-SD 4.25Å; I88-M339 HydrophobicContact CG2-SD 3.67Å
89	L	96.3	Very high	96.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-44.8	178.2	176.1	60.2	0	0	0	112	T81 E84 N85 I86 N91 T92 L93 L114 I123 I128 A167	T81-L89 HydrophobicContact CG2-CD2 4.32Å; E84-L89 HydrophobicContact CG-CB 4.31Å; N85-L89 PolarHBondContact O-N 3.18Å; I86-L89 HydrophobicContact CD1-CD2 4.48Å; L89-N91 VanDerWaalsContact C-N 3.33Å; L89-N91 PolarHBondContact O-N 3.09Å; L89-T92 WeakPolarHBondContact O-CB 3.36Å; L89-T92 PolarHBondContact O-N 2.72Å; L89-L93 HydrophobicContact CD1-CD1 4.38Å; L89-L93 HydrophobicContact CD1-CG 4.49Å; L89-L93 HydrophobicContact CG-CD1 4.32Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 3.16Å; L89-L114 HydrophobicContact CD1-CD1 3.88Å; L89-L114 HydrophobicContact CD2-CD2 4.23Å; L89-I123 HydrophobicContact CD2-CD1 4.09Å; L89-I128 HydrophobicContact CD2-CD1 4.3Å; L89-A167 HydrophobicContact CD1-CB 4.09Å
90	K	96.8	Very high	96.1	Very high	40 Å²	40	43.6 Å²	43.6	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-36.9	176	-75.3	-179.4	176	176.5	0	112.2	I86 F87 I88 L93 K94 I128 L131	I86-K90 HydrophobicContact CD1-CG 4.31Å; I86-K90 HydrophobicContact CG1-CD 4.22Å; I86-K90 HydrophobicContact CG1-CG 4.42Å; I86-K90 VanDerWaalsContact O-CB 3.3Å; I86-K90 WeakPolarHBondContact O-CB 3.02Å; I86-K90 WeakPolarHBondContact O-CG 3.39Å; I86-K90 PolarHBondContact O-N 3.38Å; F87-K90 PolarHBondContact O-N 3.14Å; I88-K90 VanDerWaalsContact C-N 3.35Å; I88-K90 PolarHBondContact O-N 3.23Å; K90-L93 PolarHBondContact O-N 3.4Å; K90-K94 VanDerWaalsContact O-CB 3.3Å; K90-K94 WeakPolarHBondContact O-CB 3.39Å; K90-K94 VanDerWaalsContact O-CG 3.22Å; K90-K94 WeakPolarHBondContact O-CG 3.49Å; K90-K94 PolarHBondContact O-N 3.41Å; K90-I128 HydrophobicContact CG-CD1 4.47Å; K90-L131 HydrophobicContact CB-CD1 4.38Å; K90-L131 HydrophobicContact CG-CD1 4.11Å
91	N	96.5	Very high	95.8	Very high	101 Å²	101	44.5 Å²	44.5	54%	0.54	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-41.8	175.9	-72.7	-12.8	0	0	0	111.2	F87 I88 L89 K94 S95	F87-N91 WeakPolarHBondContact O-CB 3.46Å; F87-N91 PolarHBondContact O-N 2.88Å; F87-N91 PolarHBondContact O-ND2 3Å; F87-N91 PolarHBondContact O-OD1 3.07Å; I88-N91 WeakPolarHBondContact O-CB 3.35Å; I88-N91 PolarHBondContact O-N 3.32Å; I88-N91 VanDerWaalsContact O-N 3.12Å; L89-N91 VanDerWaalsContact C-N 3.33Å; L89-N91 PolarHBondContact O-N 3.09Å; N91-K94 PolarHBondContact O-N 3.3Å; N91-S95 WeakPolarHBondContact O-CB 3.4Å; N91-S95 PolarHBondContact O-N 2.63Å
92	T	98.1	Very high	95.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-55.1	-54.8	172.2	-59.4	0	0	0	0	110.9	I79 I88 L89 K94 S95 I96 A167 V169	I79-T92 HydrophobicContact CD1-CG2 4.35Å; I88-T92 PolarHBondContact O-N 3.25Å; I88-T92 PolarHBondContact O-OG1 3.26Å; L89-T92 WeakPolarHBondContact O-CB 3.36Å; L89-T92 PolarHBondContact O-N 2.72Å; T92-K94 PolarHBondContact O-N 2.79Å; T92-S95 PolarHBondContact O-N 3.21Å; T92-S95 PolarHBondContact O-OG 3.37Å; T92-I96 HydrophobicContact CG2-CD1 4.18Å; T92-I96 WeakPolarHBondContact O-CG1 3.19Å; T92-I96 PolarHBondContact O-N 2.9Å; T92-I96 VanDerWaalsContact O-N 3.15Å; T92-A167 WeakPolarHBondContact CB-O 3.22Å; T92-A167 VanDerWaalsContact OG1-C 3.29Å; T92-A167 PolarHBondContact OG1-O 3.1Å; T92-V169 VanDerWaalsContact CA-O 3.23Å; T92-V169 WeakPolarHBondContact CA-O 3.36Å; T92-V169 WeakPolarHBondContact CB-O 3.23Å; T92-V169 HydrophobicContact CG2-CG2 3.67Å; T92-V169 PolarHBondContact OG1-N 3.37Å; T92-V169 VanDerWaalsContact OG1-N 3.14Å; T92-V169 PolarHBondContact OG1-O 3.46Å
93	L	97.9	Very high	95.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-44	-180	-66.9	169.5	0	0	0	112.4	I79 L89 K90 I96 L97 I112 I128 L131 I135	I79-L93 HydrophobicContact CD1-CD2 3.94Å; L89-L93 HydrophobicContact CD1-CD1 4.38Å; L89-L93 HydrophobicContact CD1-CG 4.49Å; L89-L93 HydrophobicContact CG-CD1 4.32Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 3.16Å; K90-L93 PolarHBondContact O-N 3.4Å; L93-I96 PolarHBondContact O-N 2.82Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L97 VanDerWaalsContact O-N 3.08Å; L93-I112 HydrophobicContact CD2-CD1 4.36Å; L93-I112 HydrophobicContact CD2-CG2 4.06Å; L93-I128 HydrophobicContact CD1-CD1 3.9Å; L93-I128 HydrophobicContact CD1-CG2 4.07Å; L93-L131 HydrophobicContact CB-CD1 3.96Å; L93-L131 HydrophobicContact CD1-CD1 3.99Å; L93-I135 HydrophobicContact CD1-CD1 4.27Å; L93-I135 HydrophobicContact CD2-CD1 4.17Å
94	K	97.1	Very high	95.3	Very high	94 Å²	94	49.7 Å²	49.7	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-42	177.1	-76.3	175.6	178.7	-176.2	0	112.1	K90 N91 T92 I96 L97 I98 L131	K90-K94 VanDerWaalsContact O-CB 3.3Å; K90-K94 WeakPolarHBondContact O-CB 3.39Å; K90-K94 VanDerWaalsContact O-CG 3.22Å; K90-K94 WeakPolarHBondContact O-CG 3.49Å; K90-K94 PolarHBondContact O-N 3.41Å; N91-K94 PolarHBondContact O-N 3.3Å; T92-K94 PolarHBondContact O-N 2.79Å; K94-I96 VanDerWaalsContact C-N 3.29Å; K94-I96 PolarHBondContact O-N 3.11Å; K94-L97 PolarHBondContact O-N 3.21Å; K94-I98 HydrophobicContact CB-CD1 4.46Å; K94-I98 WeakPolarHBondContact O-CB 3.5Å; K94-I98 VanDerWaalsContact O-CG1 3.26Å; K94-I98 WeakPolarHBondContact O-CG1 3.41Å; K94-I98 PolarHBondContact O-N 2.98Å; K94-L131 HydrophobicContact CD-CD2 4.49Å; K94-L131 HydrophobicContact CG-CD2 4.13Å
95	S	97.9	Very high	95.3	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-44.2	177.9	77.3	0	0	0	0	110.6	N91 T92 L97 I98 N99 T171	N91-S95 WeakPolarHBondContact O-CB 3.4Å; N91-S95 PolarHBondContact O-N 2.63Å; T92-S95 PolarHBondContact O-N 3.21Å; T92-S95 PolarHBondContact O-OG 3.37Å; S95-L97 PolarHBondContact O-N 3.15Å; S95-I98 PolarHBondContact O-N 3.06Å; S95-N99 VanDerWaalsContact O-CB 3.26Å; S95-N99 WeakPolarHBondContact O-CB 3.16Å; S95-N99 PolarHBondContact O-N 3.45Å; S95-N99 PolarHBondContact O-ND2 3.07Å; S95-T171 PolarHBondContact O-OG1 3.38Å; S95-T171 VanDerWaalsContact O-OG1 3.11Å; S95-T171 PolarHBondContact OG-N 2.97Å; S95-T171 PolarHBondContact OG-OG1 3.09Å; S95-T171 VanDerWaalsContact OG-OG1 3.1Å
96	I	98.2	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-46.8	177.9	-66.2	162.3	0	0	0	110.3	I77 I79 T92 L93 K94 I98 T100 W105 I112 L165 T171 W175	I77-I96 HydrophobicContact CD1-CG2 3.93Å; I79-I96 HydrophobicContact CD1-CD1 3.72Å; T92-I96 HydrophobicContact CG2-CD1 4.18Å; T92-I96 WeakPolarHBondContact O-CG1 3.19Å; T92-I96 PolarHBondContact O-N 2.9Å; T92-I96 VanDerWaalsContact O-N 3.15Å; L93-I96 PolarHBondContact O-N 2.82Å; K94-I96 VanDerWaalsContact C-N 3.29Å; K94-I96 PolarHBondContact O-N 3.11Å; I96-I98 PolarHBondContact O-N 3.31Å; I96-T100 VanDerWaalsContact O-CB 3.22Å; I96-T100 WeakPolarHBondContact O-CB 3.44Å; I96-T100 PolarHBondContact O-N 2.78Å; I96-T100 PolarHBondContact O-OG1 3.02Å; I96-W105 HydrophobicContact CG2-CZ3 4.06Å; I96-I112 HydrophobicContact CG2-CD1 3.86Å; I96-L165 HydrophobicContact CD1-CD1 3.6Å; I96-L165 HydrophobicContact CG1-CD1 4.04Å; I96-T171 WeakPolarHBondContact CA-OG1 3.36Å; I96-T171 HydrophobicContact CG1-CG2 3.75Å; I96-T171 PolarHBondContact N-OG1 3.41Å; I96-T171 VanDerWaalsContact N-OG1 3.16Å; I96-W175 HydrophobicContact CG1-CZ2 4.41Å; I96-W175 HydrophobicContact CG2-CZ2 4.21Å
97	L	96	Very high	95.3	Very high	41 Å²	41	53 Å²	53	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-40.1	-179.4	-68.5	169.2	0	0	0	112.7	L93 K94 S95 W105 L131	L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L97 VanDerWaalsContact O-N 3.08Å; K94-L97 PolarHBondContact O-N 3.21Å; S95-L97 PolarHBondContact O-N 3.15Å; L97-W105 HydrophobicContact CD2-CH2 3.36Å; L97-W105 HydrophobicContact CD2-CZ2 3.24Å; L97-W105 HydrophobicContact CD2-CZ3 4.07Å; L97-W105 HydrophobicContact CG-CH2 4.5Å; L97-L131 HydrophobicContact CD1-CB 4.26Å
98	I	95.8	Very high	95.5	Very high	129 Å²	129	46.3 Å²	46.3	66%	0.662	24%	0.24	S	C	*	.	H	α-helix	trans	-77.3	-41.4	-176.3	-68.2	166.4	0	0	0	111.2	K94 S95 I96	K94-I98 HydrophobicContact CB-CD1 4.46Å; K94-I98 WeakPolarHBondContact O-CB 3.5Å; K94-I98 VanDerWaalsContact O-CG1 3.26Å; K94-I98 WeakPolarHBondContact O-CG1 3.41Å; K94-I98 PolarHBondContact O-N 2.98Å; S95-I98 PolarHBondContact O-N 3.06Å; I96-I98 PolarHBondContact O-N 3.31Å
99	N	96.6	Very high	95.6	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-96.1	2.1	-169.2	-66.1	-37.4	0	0	0	114.2	S95 T171 L172 H174	S95-N99 VanDerWaalsContact O-CB 3.26Å; S95-N99 WeakPolarHBondContact O-CB 3.16Å; S95-N99 PolarHBondContact O-N 3.45Å; S95-N99 PolarHBondContact O-ND2 3.07Å; N99-T171 PolarHBondContact ND2-O 2.97Å; N99-L172 WeakPolarHBondContact CB-O 3.29Å; N99-H174 PolarHBondContact O-N 3.49Å
100	T	96	Very high	95.6	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-95.5	128.5	170	-54.3	0	0	0	0	109.7	I96 L102 L104 W105 V109 W175 L176	I96-T100 VanDerWaalsContact O-CB 3.22Å; I96-T100 WeakPolarHBondContact O-CB 3.44Å; I96-T100 PolarHBondContact O-N 2.78Å; I96-T100 PolarHBondContact O-OG1 3.02Å; T100-L102 PolarHBondContact O-N 3.15Å; T100-L104 HydrophobicContact CG2-CB 4.38Å; T100-L104 HydrophobicContact CG2-CD2 3.98Å; T100-L104 HydrophobicContact CG2-CG 4.44Å; T100-W105 HydrophobicContact CG2-CB 4.38Å; T100-W105 HydrophobicContact CG2-CE3 4.08Å; T100-V109 HydrophobicContact CG2-CG2 4.41Å; T100-W175 PolarHBondContact OG1-NE1 2.94Å; T100-L176 HydrophobicContact CG2-CD2 4.16Å
101	S	91.6	Very high	95.6	Very high	34 Å²	34	49.1 Å²	49.1	24%	0.238	25%	0.252	C	S	.	.			trans	-51	134.3	177	167.9	0	0	0	0	111.9	Y69 L103 L104 W105 E177	Y69-S101 WeakPolarHBondContact OH-CB 3.23Å; Y69-S101 PolarHBondContact OH-OG 2.77Å; S101-L103 PolarHBondContact O-N 3.14Å; S101-L103 PolarHBondContact OG-N 3.42Å; S101-L104 PolarHBondContact O-N 3.08Å; S101-L104 VanDerWaalsContact O-N 3.09Å; S101-W105 WeakPolarHBondContact O-CB 3.43Å; S101-W105 PolarHBondContact O-N 3.03Å; S101-E177 WeakPolarHBondContact CB-OE1 3.11Å
102	L	91.5	Very high	95.7	Very high	132 Å²	132	44.3 Å²	44.3	69%	0.691	23%	0.226	S	C	*	.	H	α-helix	trans	-55.8	-35.1	177.3	-70.2	174.4	0	0	0	112.6	T100 N106	T100-L102 PolarHBondContact O-N 3.15Å; L102-N106 WeakPolarHBondContact O-CB 3.44Å; L102-N106 VanDerWaalsContact O-CG 3.22Å; L102-N106 PolarHBondContact O-N 3.35Å; L102-N106 PolarHBondContact O-ND2 3.2Å; L102-N106 VanDerWaalsContact O-ND2 3.15Å
103	L	92	Very high	95.8	Very high	74 Å²	74	44.2 Å²	44.2	39%	0.387	23%	0.226	S	C	.	.	H	α-helix	trans	-69.6	-44.1	178	-73	171.4	0	0	0	111.4	T66 Y69 S101 N107	T66-L103 HydrophobicContact CG2-CD1 3.49Å; T66-L103 VanDerWaalsContact CG2-CD1 3.49Å; Y69-L103 HydrophobicContact CD2-CB 3.53Å; Y69-L103 HydrophobicContact CD2-CD1 3.94Å; Y69-L103 HydrophobicContact CD2-CG 4.33Å; Y69-L103 HydrophobicContact CE2-CB 3.39Å; Y69-L103 HydrophobicContact CE2-CD1 3.56Å; Y69-L103 HydrophobicContact CE2-CG 4.13Å; Y69-L103 HydrophobicContact CG-CB 4.15Å; S101-L103 PolarHBondContact O-N 3.14Å; S101-L103 PolarHBondContact OG-N 3.42Å; L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.29Å; L103-N107 PolarHBondContact O-N 3.44Å; L103-N107 PolarHBondContact O-ND2 2.93Å; L103-N107 VanDerWaalsContact O-ND2 3.14Å
104	L	93.8	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-43.9	175.2	-173.1	69.1	0	0	0	111	Y69 I72 I75 T100 S101 N108 V109 L176 E177	Y69-L104 HydrophobicContact CD1-CB 3.92Å; Y69-L104 HydrophobicContact CD1-CD1 3.8Å; Y69-L104 HydrophobicContact CD1-CG 4.48Å; Y69-L104 HydrophobicContact CE1-CB 3.65Å; Y69-L104 HydrophobicContact CE1-CD1 4.08Å; Y69-L104 HydrophobicContact CE1-CG 4.41Å; I72-L104 HydrophobicContact CB-CD1 4.43Å; I72-L104 HydrophobicContact CD1-CD1 3.58Å; I72-L104 HydrophobicContact CG2-CD1 4.03Å; I75-L104 HydrophobicContact CD1-CD1 4.31Å; T100-L104 HydrophobicContact CG2-CB 4.38Å; T100-L104 HydrophobicContact CG2-CD2 3.98Å; T100-L104 HydrophobicContact CG2-CG 4.44Å; S101-L104 PolarHBondContact O-N 3.08Å; S101-L104 VanDerWaalsContact O-N 3.09Å; L104-N108 HydrophobicContact CD1-CB 3.81Å; L104-N108 HydrophobicContact CG-CB 4.48Å; L104-N108 WeakPolarHBondContact O-CA 3.49Å; L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.04Å; L104-V109 PolarHBondContact O-N 2.74Å; L104-V109 VanDerWaalsContact O-N 3.1Å; L104-L176 HydrophobicContact CD2-CB 3.97Å; L104-L176 HydrophobicContact CD2-CD2 3.7Å; L104-L176 HydrophobicContact CD2-CG 3.8Å; L104-E177 HydrophobicContact CD2-CG 3.98Å
105	W	94.8	Very high	95.9	Very high	27 Å²	27	39.8 Å²	39.8	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-53.9	-179.5	-175.1	-95.6	0	0	0	111.2	I96 L97 T100 S101 N107 V109 I112 T134	I96-W105 HydrophobicContact CG2-CZ3 4.06Å; L97-W105 HydrophobicContact CD2-CH2 3.36Å; L97-W105 HydrophobicContact CD2-CZ2 3.24Å; L97-W105 HydrophobicContact CD2-CZ3 4.07Å; L97-W105 HydrophobicContact CG-CH2 4.5Å; T100-W105 HydrophobicContact CG2-CB 4.38Å; T100-W105 HydrophobicContact CG2-CE3 4.08Å; S101-W105 WeakPolarHBondContact O-CB 3.43Å; S101-W105 PolarHBondContact O-N 3.03Å; W105-N107 PolarHBondContact O-N 2.7Å; W105-V109 HydrophobicContact CD2-CB 4.39Å; W105-V109 HydrophobicContact CE3-CB 4.01Å; W105-V109 HydrophobicContact CE3-CG1 3.93Å; W105-V109 HydrophobicContact CE3-CG2 4.07Å; W105-V109 HydrophobicContact CH2-CG1 4.19Å; W105-V109 HydrophobicContact CZ3-CB 4.35Å; W105-V109 HydrophobicContact CZ3-CG1 3.74Å; W105-V109 PolarHBondContact O-N 2.81Å; W105-I112 HydrophobicContact CH2-CD1 3.64Å; W105-I112 HydrophobicContact CH2-CG1 3.92Å; W105-I112 HydrophobicContact CZ3-CD1 4.16Å; W105-I112 HydrophobicContact CZ3-CG1 4.45Å; W105-T134 HydrophobicContact CH2-CG2 4.22Å; W105-T134 HydrophobicContact CZ2-CG2 3.69Å
106	N	93	Very high	95.9	Very high	120 Å²	120	39.4 Å²	39.4	64%	0.642	20%	0.204	S	C	*	.	H	α-helix	trans	-70.9	-34	-176.2	-68.4	-26.4	0	0	0	112.9	L102	L102-N106 WeakPolarHBondContact O-CB 3.44Å; L102-N106 VanDerWaalsContact O-CG 3.22Å; L102-N106 PolarHBondContact O-N 3.35Å; L102-N106 PolarHBondContact O-ND2 3.2Å; L102-N106 VanDerWaalsContact O-ND2 3.15Å
107	N	93.7	Very high	95.8	Very high	80 Å²	80	39.5 Å²	39.5	43%	0.428	20%	0.204	S	C	.	.	H	α-helix	trans	-91.7	-37.7	-174.3	-65.7	-30.3	0	0	0	112.8	K74 L103 W105	K74-N107 PolarHBondContact NZ-O 3.4Å; L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.29Å; L103-N107 PolarHBondContact O-N 3.44Å; L103-N107 PolarHBondContact O-ND2 2.93Å; L103-N107 VanDerWaalsContact O-ND2 3.14Å; W105-N107 PolarHBondContact O-N 2.7Å
108	N	96.7	Very high	95.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-34.9	-163.2	-51.4	93.8	0	0	0	113.5	Y69 I72 K74 I75 L104 K110	Y69-N108 PolarHBondContact O-ND2 3.45Å; Y69-N108 PolarHBondContact O-OD1 3.43Å; I72-N108 HydrophobicContact CB-CB 4.5Å; I72-N108 HydrophobicContact CG2-CB 4Å; I72-N108 PolarHBondContact O-ND2 3.24Å; K74-N108 WeakPolarHBondContact CA-O 3.3Å; I75-N108 HydrophobicContact CD1-CB 4.3Å; I75-N108 PolarHBondContact N-O 3.34Å; L104-N108 HydrophobicContact CD1-CB 3.81Å; L104-N108 HydrophobicContact CG-CB 4.48Å; L104-N108 WeakPolarHBondContact O-CA 3.49Å; L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.04Å; N108-K110 PolarHBondContact O-N 3.31Å
109	V	97.4	Very high	95.9	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112.9	175.8	-176.4	0	0	0	0	109.6	I77 T100 L104 W105 L176	I77-V109 HydrophobicContact CD1-CG1 4.25Å; T100-V109 HydrophobicContact CG2-CG2 4.41Å; L104-V109 PolarHBondContact O-N 2.74Å; L104-V109 VanDerWaalsContact O-N 3.1Å; W105-V109 HydrophobicContact CD2-CB 4.39Å; W105-V109 HydrophobicContact CE3-CB 4.01Å; W105-V109 HydrophobicContact CE3-CG1 3.93Å; W105-V109 HydrophobicContact CE3-CG2 4.07Å; W105-V109 HydrophobicContact CH2-CG1 4.19Å; W105-V109 HydrophobicContact CZ3-CB 4.35Å; W105-V109 HydrophobicContact CZ3-CG1 3.74Å; W105-V109 PolarHBondContact O-N 2.81Å; V109-L176 HydrophobicContact CG2-CD2 4.04Å
110	K	97	Very high	95.8	Very high	109 Å²	109	41.1 Å²	41.1	47%	0.474	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-42.4	-178.1	-77.9	-60.6	-164.7	-179.1	0	113	K74 I75 N108	K74-K110 HydrophobicContact CB-CG 3.71Å; K74-K110 HydrophobicContact CD-CD 4.21Å; K74-K110 HydrophobicContact CD-CG 4.12Å; K74-K110 HydrophobicContact CG-CD 4.38Å; K74-K110 HydrophobicContact CG-CG 3.99Å; I75-K110 PolarHBondContact O-N 2.87Å; N108-K110 PolarHBondContact O-N 3.31Å
111	E	97.3	Very high	95.7	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	150.5	-171.1	57	-165.8	154.8	0	0	110.4	S76 I77 I113 T134 A157 T158	S76-E111 WeakPolarHBondContact OG-CG 3.46Å; S76-E111 PolarHBondContact OG-OE1 3.24Å; I77-E111 PolarHBondContact N-O 2.95Å; E111-I113 HydrophobicContact CB-CG1 4.46Å; E111-I113 HydrophobicContact CG-CD1 4.19Å; E111-I113 HydrophobicContact CG-CG1 3.84Å; E111-T134 WeakPolarHBondContact CA-O 3.43Å; E111-A157 WeakPolarHBondContact OE1-CA 3.41Å; E111-T158 PolarHBondContact OE1-N 3.45Å; E111-T158 PolarHBondContact OE1-OG1 2.92Å
112	I	98.5	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.8	154.4	-60.3	-179.4	0	0	0	106.1	I77 I79 L93 I96 W105 T134 I135 R136	I77-I112 HydrophobicContact CB-CG1 4.17Å; I77-I112 HydrophobicContact CD1-CG1 4.31Å; I77-I112 CarbonylContact O-C 3.3Å; I77-I112 WeakPolarHBondContact O-CA 3.47Å; I79-I112 HydrophobicContact CD1-CG2 3.97Å; I79-I112 HydrophobicContact CG1-CG2 4.47Å; L93-I112 HydrophobicContact CD2-CD1 4.36Å; L93-I112 HydrophobicContact CD2-CG2 4.06Å; I96-I112 HydrophobicContact CG2-CD1 3.86Å; W105-I112 HydrophobicContact CH2-CD1 3.64Å; W105-I112 HydrophobicContact CH2-CG1 3.92Å; W105-I112 HydrophobicContact CZ3-CD1 4.16Å; W105-I112 HydrophobicContact CZ3-CG1 4.45Å; I112-T134 PolarHBondContact N-O 3.43Å; I112-T134 VanDerWaalsContact N-O 3.1Å; I112-I135 HydrophobicContact CB-CG1 4.13Å; I112-I135 HydrophobicContact CB-CG2 4.47Å; I112-I135 HydrophobicContact CD1-CG1 4.26Å; I112-I135 HydrophobicContact CG2-CG2 4.47Å; I112-I135 CarbonylContact O-C 3.37Å; I112-I135 WeakPolarHBondContact O-CA 3.48Å; I112-R136 PolarHBondContact O-N 2.97Å
113	I	98.6	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.3	172.2	-59.5	178.7	0	0	0	107.8	I77 I78 I79 E111 I115 R136 I138 N156 A157	I77-I113 PolarHBondContact O-N 2.95Å; I78-I113 WeakPolarHBondContact CA-O 3.46Å; I79-I113 PolarHBondContact N-O 3.14Å; E111-I113 HydrophobicContact CB-CG1 4.46Å; E111-I113 HydrophobicContact CG-CD1 4.19Å; E111-I113 HydrophobicContact CG-CG1 3.84Å; I113-I115 HydrophobicContact CG2-CD1 3.45Å; I113-I115 VanDerWaalsContact CG2-CD1 3.45Å; I113-I115 HydrophobicContact CG2-CG1 4.11Å; I113-R136 WeakPolarHBondContact CA-O 3.49Å; I113-I138 HydrophobicContact CG2-CD1 3.85Å; I113-I138 HydrophobicContact CG2-CG1 4.38Å; I113-N156 HydrophobicContact CD1-CB 4.11Å; I113-A157 VanDerWaalsContact CD1-CA 3.45Å; I113-A157 HydrophobicContact CD1-CB 4Å
114	L	98.6	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.4	174	-177.9	64.8	0	0	0	109.2	I79 T81 L89 I123 I128 I135 R136 V137 I138	I79-L114 HydrophobicContact CB-CD1 3.93Å; I79-L114 HydrophobicContact CG2-CD1 3.73Å; I79-L114 CarbonylContact O-C 3.55Å; I79-L114 WeakPolarHBondContact O-CA 3.31Å; T81-L114 HydrophobicContact CG2-CD1 3.58Å; T81-L114 HydrophobicContact CG2-CG 4.1Å; L89-L114 HydrophobicContact CD1-CD1 3.88Å; L89-L114 HydrophobicContact CD2-CD2 4.23Å; L114-I123 HydrophobicContact CD2-CD1 4.18Å; L114-I128 HydrophobicContact CD2-CD1 4.45Å; L114-I128 HydrophobicContact CD2-CG1 4.23Å; L114-I128 HydrophobicContact CD2-CG2 3.96Å; L114-I135 HydrophobicContact CB-CG2 4.22Å; L114-R136 PolarHBondContact N-O 3.32Å; L114-V137 HydrophobicContact CB-CG2 4.46Å; L114-V137 HydrophobicContact CD2-CG2 4.25Å; L114-V137 WeakPolarHBondContact O-CA 3.34Å; L114-I138 PolarHBondContact O-N 3.28Å
115	I	98.5	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.9	176	-52.9	-58.4	0	0	0	109.4	I79 V80 T81 I113 D117 I138	I79-I115 PolarHBondContact O-N 3.16Å; V80-I115 HydrophobicContact CG2-CB 4.16Å; V80-I115 HydrophobicContact CG2-CG1 4.48Å; T81-I115 WeakPolarHBondContact CG2-O 3.36Å; T81-I115 PolarHBondContact N-O 2.96Å; I113-I115 HydrophobicContact CG2-CD1 3.45Å; I113-I115 VanDerWaalsContact CG2-CD1 3.45Å; I113-I115 HydrophobicContact CG2-CG1 4.11Å; I115-D117 PolarHBondContact O-N 2.84Å; I115-I138 CarbonylContact C-O 3.46Å; I115-I138 VanDerWaalsContact CA-O 3.28Å; I115-I138 WeakPolarHBondContact CA-O 3.48Å; I115-I138 HydrophobicContact CD1-CB 3.73Å; I115-I138 HydrophobicContact CD1-CD1 4.14Å; I115-I138 HydrophobicContact CD1-CG1 4.34Å; I115-I138 HydrophobicContact CD1-CG2 4.25Å
116	D	98.2	Very high	95.8	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	101.4	167.6	-175.6	1.9	0	0	0	109.3	Y118 S119 I123 I138 R139 N140	D116-Y118 PolarHBondContact O-N 2.91Å; D116-S119 WeakPolarHBondContact OD1-CB 3.07Å; D116-S119 PolarHBondContact OD1-N 3.39Å; D116-S119 PolarHBondContact OD1-OG 3.08Å; D116-I123 HydrophobicContact CB-CD1 3.72Å; D116-I123 HydrophobicContact CB-CG1 4.23Å; D116-I123 PolarHBondContact OD2-N 3.05Å; D116-I123 VanDerWaalsContact OD2-N 3.14Å; D116-I138 PolarHBondContact N-O 3.18Å; D116-R139 HydrophobicContact CB-CB 4.11Å; D116-R139 HydrophobicContact CB-CG 4.14Å; D116-R139 WeakPolarHBondContact O-CA 3.37Å; D116-R139 IonicContact OD1-NH1 3.72Å; D116-R139 PolarHBondContact OD1-NH1 3.17Å; D116-R139 IonicContact OD2-CZ 2.77Å; D116-R139 IonicContact OD2-NH1 3.61Å; D116-R139 PolarHBondContact OD2-NH1 3.43Å; D116-N140 PolarHBondContact O-N 3.36Å
117	D	97.5	Very high	95.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.011	26%	0.26	C	S	.	.			trans	-79	59.7	179	-176.8	34.4	0	0	0	110.7	V80 T81 H82 I115 N140 R143 E144 G145 S149	V80-D117 HydrophobicContact CG1-CB 4.12Å; T81-D117 PolarHBondContact O-N 2.97Å; H82-D117 HydrophobicContact CB-CB 4.21Å; H82-D117 PolarHBondContact ND1-O 3.21Å; I115-D117 PolarHBondContact O-N 2.84Å; D117-N140 PolarHBondContact OD1-ND2 3.31Å; D117-N140 VanDerWaalsContact OD1-ND2 3.08Å; D117-R143 WeakPolarHBondContact O-CD 3.42Å; D117-R143 VanDerWaalsContact OD2-CD 3.25Å; D117-R143 WeakPolarHBondContact OD2-CD 3.28Å; D117-R143 IonicContact OD2-CZ 3.69Å; D117-R143 IonicContact OD2-NE 3.89Å; D117-R143 PolarHBondContact OD2-NE 2.92Å; D117-E144 PolarHBondContact OD1-N 3.17Å; D117-G145 PolarHBondContact OD1-N 3.29Å; D117-G145 WeakPolarHBondContact OD2-CA 3.29Å; D117-G145 PolarHBondContact OD2-N 3.12Å; D117-S149 WeakPolarHBondContact CB-OG 3.39Å; D117-S149 PolarHBondContact OD1-OG 2.55Å
118	Y	96.7	Very high	95.8	Very high	111 Å²	111	47.1 Å²	47.1	44%	0.435	24%	0.24	S	C	.	.	S	Bend	trans	60.3	48.1	176.9	-160.7	-106.6	0	0	0	114.3	H82 D116 E141 N142 R143	H82-Y118 PolarHBondContact CE1-O 3.33Å; H82-Y118 VanDerWaalsContact CE1-O 3.3Å; H82-Y118 PolarHBondContact ND1-O 3.38Å; D116-Y118 PolarHBondContact O-N 2.91Å; Y118-E141 WeakPolarHBondContact CD2-O 2.93Å; Y118-E141 WeakPolarHBondContact CE2-O 3.19Å; Y118-N142 VanDerWaalsContact CB-C 3.48Å; Y118-N142 WeakPolarHBondContact CB-O 3.43Å; Y118-R143 HydrophobicContact CD1-CB 4.38Å
119	S	96.5	Very high	95.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	26%	0.258	C	S	.	.			trans	-62.7	151.5	172.8	-52.8	0	0	0	0	112.3	H82 N83 D116 P121 R139	H82-S119 WeakPolarHBondContact CA-OG 3.49Å; N83-S119 PolarHBondContact N-OG 3.16Å; N83-S119 WeakPolarHBondContact OD1-CA 3.35Å; N83-S119 WeakPolarHBondContact OD1-CB 3.47Å; D116-S119 WeakPolarHBondContact OD1-CB 3.07Å; D116-S119 PolarHBondContact OD1-N 3.39Å; D116-S119 PolarHBondContact OD1-OG 3.08Å; S119-P121 CarbonylContact C-O 3.49Å; S119-P121 WeakPolarHBondContact CB-O 3.33Å; S119-P121 CarbonylContact O-C 3.48Å; S119-R139 VanDerWaalsContact N-NH1 3.12Å; S119-R139 PolarHBondContact O-NH1 2.95Å; S119-R139 PolarHBondContact O-NH2 3.45Å
120	N	94.2	Very high	95.4	Very high	133 Å²	133	54.9 Å²	54.9	71%	0.711	29%	0.289	S	S	*	.	S	Bend	trans	-132.5	113.4	171.5	-174.8	24.4	0	0	0	110.4	N83	N83-N120 PolarHBondContact OD1-N 3.49Å; N83-N120 PolarHBondContact OD1-O 2.91Å
121	P	94.2	Very high	95.2	Very high	105 Å²	105	52 Å²	52	68%	0.682	28%	0.278	S	S	*	.	S	Bend	cis	-64.7	156.7	-3	29.4	-35.3	0	0	0	111.9	S119	S119-P121 CarbonylContact C-O 3.49Å; S119-P121 WeakPolarHBondContact CB-O 3.33Å; S119-P121 CarbonylContact O-C 3.48Å
122	P	95.4	Very high	95	Very high	67 Å²	67	52.2 Å²	52.2	44%	0.435	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-55.9	154.3	170.4	-23.4	33.8	0	0	0	111.7	E124	P122-E124 PolarHBondContact O-N 3.2Å
123	I	93.9	Very high	94.6	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.128	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.2	129	175.5	-60.7	174	0	0	0	109.4	T81 L89 L114 D116 E125 I128	T81-I123 HydrophobicContact CG2-CD1 3.29Å; L89-I123 HydrophobicContact CD2-CD1 4.09Å; L114-I123 HydrophobicContact CD2-CD1 4.18Å; D116-I123 HydrophobicContact CB-CD1 3.72Å; D116-I123 HydrophobicContact CB-CG1 4.23Å; D116-I123 PolarHBondContact OD2-N 3.05Å; D116-I123 VanDerWaalsContact OD2-N 3.14Å; I123-E125 PolarHBondContact O-N 2.92Å; I123-I128 HydrophobicContact CG2-CD1 4.17Å; I123-I128 HydrophobicContact CG2-CG1 3.49Å; I123-I128 VanDerWaalsContact CG2-CG1 3.49Å
124	E	92.2	Very high	94.4	Very high	120 Å²	120	63.8 Å²	63.8	56%	0.561	34%	0.336	S	S	*	.			trans	-70.1	96.4	172.2	-67.2	-176.7	-140.3	0	0	110.1	P122 D126 Q127 I128	P122-E124 PolarHBondContact O-N 3.2Å; E124-D126 PolarHBondContact O-N 2.97Å; E124-Q127 HydrophobicContact CB-CB 4.25Å; E124-Q127 HydrophobicContact CB-CG 3.88Å; E124-Q127 VanDerWaalsContact CD-NE2 3.27Å; E124-Q127 WeakPolarHBondContact O-CB 3.36Å; E124-Q127 PolarHBondContact O-N 3.05Å; E124-Q127 PolarHBondContact OE2-NE2 3.07Å; E124-I128 PolarHBondContact O-N 3.19Å
125	E	92.1	Very high	94.3	Very high	77 Å²	77	63.9 Å²	63.9	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-56.3	-36.7	-174.5	-174.6	170.7	-174.1	0	0	112.7	I123 Q127 I128 K129 V137	I123-E125 PolarHBondContact O-N 2.92Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; E125-Q127 PolarHBondContact O-N 2.97Å; E125-I128 PolarHBondContact O-N 3.41Å; E125-K129 VanDerWaalsContact CD-NZ 3.34Å; E125-K129 HydrophobicContact CG-CD 3.97Å; E125-K129 HydrophobicContact CG-CG 4.22Å; E125-K129 WeakPolarHBondContact O-CB 3.22Å; E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-N 2.79Å; E125-K129 WeakPolarHBondContact OE1-CE 3.3Å; E125-K129 IonicContact OE1-NZ 3.31Å; E125-K129 PolarHBondContact OE1-NZ 3.41Å; E125-V137 HydrophobicContact CG-CB 4.01Å; E125-V137 HydrophobicContact CG-CG2 3.92Å
126	D	91.8	Very high	94.2	Very high	138 Å²	138	69 Å²	69	74%	0.738	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-40.2	177.6	-69.8	-22.2	0	0	0	112.2	E124 I128 A130	E124-D126 PolarHBondContact O-N 2.97Å; D126-I128 VanDerWaalsContact C-N 3.28Å; D126-I128 PolarHBondContact O-N 2.92Å; D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.47Å; D126-A130 PolarHBondContact O-N 3.39Å
127	Q	91.5	Very high	94.2	Very high	66 Å²	66	69.8 Å²	69.8	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-31.3	177.7	-63.7	-164.4	17	0	0	112.3	E124 E125	E124-Q127 HydrophobicContact CB-CB 4.25Å; E124-Q127 HydrophobicContact CB-CG 3.88Å; E124-Q127 VanDerWaalsContact CD-NE2 3.27Å; E124-Q127 WeakPolarHBondContact O-CB 3.36Å; E124-Q127 PolarHBondContact O-N 3.05Å; E124-Q127 PolarHBondContact OE2-NE2 3.07Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; E125-Q127 PolarHBondContact O-N 2.97Å
128	I	94.6	Very high	94.2	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-77.7	-47.4	177.5	-62.1	-56.9	0	0	0	110.6	I86 L89 K90 L93 L114 I123 E124 E125 D126 A130 L131 I135 V137	I86-I128 HydrophobicContact CD1-CD1 4.16Å; L89-I128 HydrophobicContact CD2-CD1 4.3Å; K90-I128 HydrophobicContact CG-CD1 4.47Å; L93-I128 HydrophobicContact CD1-CD1 3.9Å; L93-I128 HydrophobicContact CD1-CG2 4.07Å; L114-I128 HydrophobicContact CD2-CD1 4.45Å; L114-I128 HydrophobicContact CD2-CG1 4.23Å; L114-I128 HydrophobicContact CD2-CG2 3.96Å; I123-I128 HydrophobicContact CG2-CD1 4.17Å; I123-I128 HydrophobicContact CG2-CG1 3.49Å; I123-I128 VanDerWaalsContact CG2-CG1 3.49Å; E124-I128 PolarHBondContact O-N 3.19Å; E125-I128 PolarHBondContact O-N 3.41Å; D126-I128 VanDerWaalsContact C-N 3.28Å; D126-I128 PolarHBondContact O-N 2.92Å; I128-A130 PolarHBondContact O-N 3.3Å; I128-L131 VanDerWaalsContact O-CB 3.31Å; I128-L131 WeakPolarHBondContact O-CB 3.36Å; I128-L131 PolarHBondContact O-N 2.73Å; I128-I135 HydrophobicContact CG2-CB 4.21Å; I128-I135 HydrophobicContact CG2-CD1 4.19Å; I128-I135 HydrophobicContact CG2-CG2 3.51Å; I128-V137 HydrophobicContact CB-CG2 4.31Å; I128-V137 HydrophobicContact CG2-CG2 3.97Å
129	K	92.2	Very high	94.3	Very high	91 Å²	91	70 Å²	70	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-26.8	178.1	-76.1	-176.5	177.4	165.6	0	113	E125 L131 S132	E125-K129 VanDerWaalsContact CD-NZ 3.34Å; E125-K129 HydrophobicContact CG-CD 3.97Å; E125-K129 HydrophobicContact CG-CG 4.22Å; E125-K129 WeakPolarHBondContact O-CB 3.22Å; E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-N 2.79Å; E125-K129 WeakPolarHBondContact OE1-CE 3.3Å; E125-K129 IonicContact OE1-NZ 3.31Å; E125-K129 PolarHBondContact OE1-NZ 3.41Å; K129-L131 PolarHBondContact O-N 2.9Å; K129-S132 CarbonylContact O-C 3.47Å; K129-S132 PolarHBondContact O-N 2.89Å
130	A	93.1	Very high	94.3	Very high	86 Å²	86	70.3 Å²	70.3	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.1	171.5	0	0	0	0	0	113.2	D126 I128	D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.47Å; D126-A130 PolarHBondContact O-N 3.39Å; I128-A130 PolarHBondContact O-N 3.3Å
131	L	93.4	Very high	94.4	Very high	48 Å²	48	72.1 Å²	72.1	25%	0.251	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-44.6	174.6	-62.5	176.9	0	0	0	111.9	K90 L93 K94 L97 I128 K129 I135	K90-L131 HydrophobicContact CB-CD1 4.38Å; K90-L131 HydrophobicContact CG-CD1 4.11Å; L93-L131 HydrophobicContact CB-CD1 3.96Å; L93-L131 HydrophobicContact CD1-CD1 3.99Å; K94-L131 HydrophobicContact CD-CD2 4.49Å; K94-L131 HydrophobicContact CG-CD2 4.13Å; L97-L131 HydrophobicContact CD1-CB 4.26Å; I128-L131 VanDerWaalsContact O-CB 3.31Å; I128-L131 WeakPolarHBondContact O-CB 3.36Å; I128-L131 PolarHBondContact O-N 2.73Å; K129-L131 PolarHBondContact O-N 2.9Å; L131-I135 HydrophobicContact CB-CD1 4.15Å
132	S	93.1	Very high	94.5	Very high	22 Å²	22	71.5 Å²	71.5	15%	0.154	36%	0.358	C	S	.	.			trans	-164.5	136	176.9	178.7	0	0	0	0	111	K129 T134 I135	K129-S132 CarbonylContact O-C 3.47Å; K129-S132 PolarHBondContact O-N 2.89Å; S132-T134 PolarHBondContact O-N 3.06Å; S132-T134 WeakPolarHBondContact OG-CB 3.36Å; S132-T134 PolarHBondContact OG-N 3.38Å; S132-T134 PolarHBondContact OG-OG1 3.5Å; S132-I135 PolarHBondContact O-N 2.71Å
133	K	90.2	Very high	94.5	Very high	202 Å²	202	71 Å²	71	88%	0.878	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.8	174.3	-64.8	-177.5	179.5	179.8	0	113.3	I135	K133-I135 PolarHBondContact O-N 2.96Å
134	T	93.9	Very high	94.6	Very high	41 Å²	41	72.6 Å²	72.6	25%	0.252	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.2	176	-51.4	0	0	0	0	112.2	W105 E111 I112 S132	W105-T134 HydrophobicContact CH2-CG2 4.22Å; W105-T134 HydrophobicContact CZ2-CG2 3.69Å; E111-T134 WeakPolarHBondContact CA-O 3.43Å; I112-T134 PolarHBondContact N-O 3.43Å; I112-T134 VanDerWaalsContact N-O 3.1Å; S132-T134 PolarHBondContact O-N 3.06Å; S132-T134 WeakPolarHBondContact OG-CB 3.36Å; S132-T134 PolarHBondContact OG-N 3.38Å; S132-T134 PolarHBondContact OG-OG1 3.5Å
135	I	97	Very high	94.7	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.8	178	-54.8	163.3	0	0	0	109.2	L93 I112 L114 I128 L131 S132 K133	L93-I135 HydrophobicContact CD1-CD1 4.27Å; L93-I135 HydrophobicContact CD2-CD1 4.17Å; I112-I135 HydrophobicContact CB-CG1 4.13Å; I112-I135 HydrophobicContact CB-CG2 4.47Å; I112-I135 HydrophobicContact CD1-CG1 4.26Å; I112-I135 HydrophobicContact CG2-CG2 4.47Å; I112-I135 CarbonylContact O-C 3.37Å; I112-I135 WeakPolarHBondContact O-CA 3.48Å; L114-I135 HydrophobicContact CB-CG2 4.22Å; I128-I135 HydrophobicContact CG2-CB 4.21Å; I128-I135 HydrophobicContact CG2-CD1 4.19Å; I128-I135 HydrophobicContact CG2-CG2 3.51Å; L131-I135 HydrophobicContact CB-CD1 4.15Å; S132-I135 PolarHBondContact O-N 2.71Å; K133-I135 PolarHBondContact O-N 2.96Å
136	R	96.9	Very high	94.9	Very high	107 Å²	107	64.3 Å²	64.3	40%	0.404	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.5	174.2	-179.9	176.5	172.1	-160.7	-6.8	109	I112 I113 L114 I138 N156	I112-R136 PolarHBondContact O-N 2.97Å; I113-R136 WeakPolarHBondContact CA-O 3.49Å; L114-R136 PolarHBondContact N-O 3.32Å; R136-I138 HydrophobicContact CG-CG1 4.32Å; R136-N156 PolarHBondContact NH2-OD1 3.23Å
137	V	97.5	Very high	95.1	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.121	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.8	175.3	-173.5	0	0	0	0	108.9	L114 E125 I128	L114-V137 HydrophobicContact CB-CG2 4.46Å; L114-V137 HydrophobicContact CD2-CG2 4.25Å; L114-V137 WeakPolarHBondContact O-CA 3.34Å; E125-V137 HydrophobicContact CG-CB 4.01Å; E125-V137 HydrophobicContact CG-CG2 3.92Å; I128-V137 HydrophobicContact CB-CG2 4.31Å; I128-V137 HydrophobicContact CG2-CG2 3.97Å
138	I	97.8	Very high	95.4	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.138	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.1	171.6	-56.3	176.8	0	0	0	106.6	I113 L114 I115 D116 R136 N156	I113-I138 HydrophobicContact CG2-CD1 3.85Å; I113-I138 HydrophobicContact CG2-CG1 4.38Å; L114-I138 PolarHBondContact O-N 3.28Å; I115-I138 CarbonylContact C-O 3.46Å; I115-I138 VanDerWaalsContact CA-O 3.28Å; I115-I138 WeakPolarHBondContact CA-O 3.48Å; I115-I138 HydrophobicContact CD1-CB 3.73Å; I115-I138 HydrophobicContact CD1-CD1 4.14Å; I115-I138 HydrophobicContact CD1-CG1 4.34Å; I115-I138 HydrophobicContact CD1-CG2 4.25Å; D116-I138 PolarHBondContact N-O 3.18Å; R136-I138 HydrophobicContact CG-CG1 4.32Å; I138-N156 HydrophobicContact CD1-CB 3.73Å
139	R	97.8	Very high	95.6	Very high	89 Å²	89	57.8 Å²	57.8	34%	0.336	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.6	178.8	180	172.5	173.2	89	0.6	110.4	D116 S119	D116-R139 HydrophobicContact CB-CB 4.11Å; D116-R139 HydrophobicContact CB-CG 4.14Å; D116-R139 WeakPolarHBondContact O-CA 3.37Å; D116-R139 IonicContact OD1-NH1 3.72Å; D116-R139 PolarHBondContact OD1-NH1 3.17Å; D116-R139 IonicContact OD2-CZ 2.77Å; D116-R139 IonicContact OD2-NH1 3.61Å; D116-R139 PolarHBondContact OD2-NH1 3.43Å; S119-R139 VanDerWaalsContact N-NH1 3.12Å; S119-R139 PolarHBondContact O-NH1 2.95Å; S119-R139 PolarHBondContact O-NH2 3.45Å
140	N	98.2	Very high	95.9	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.059	26%	0.263	C	S	.	.			trans	-72.7	145	169.8	-65.2	-19.1	0	0	0	110.2	D116 D117 N142 E144 S149 N152	D116-N140 PolarHBondContact O-N 3.36Å; D117-N140 PolarHBondContact OD1-ND2 3.31Å; D117-N140 VanDerWaalsContact OD1-ND2 3.08Å; N140-N142 VanDerWaalsContact C-N 3.31Å; N140-N142 VanDerWaalsContact CB-O 3.31Å; N140-N142 WeakPolarHBondContact CB-O 3.46Å; N140-E144 HydrophobicContact CB-CG 4.3Å; N140-S149 PolarHBondContact ND2-OG 3.21Å; N140-N152 PolarHBondContact OD1-ND2 3.48Å
141	E	96.5	Very high	96.1	Very high	170 Å²	170	49.8 Å²	49.8	79%	0.794	23%	0.23	S	C	*	.	S	Bend	trans	-70.9	-28.4	177.4	-64.4	-177.6	173.9	0	0	112.8	Y118	Y118-E141 WeakPolarHBondContact CD2-O 2.93Å; Y118-E141 WeakPolarHBondContact CE2-O 3.19Å
142	N	95.5	Very high	96.4	Very high	92 Å²	92	49.4 Å²	49.4	49%	0.492	23%	0.228	S	C	.	.	S	Bend	trans	-131.1	166.6	179.4	-59.1	-69.6	0	0	0	110.2	Y118 N140 E144	Y118-N142 VanDerWaalsContact CB-C 3.48Å; Y118-N142 WeakPolarHBondContact CB-O 3.43Å; N140-N142 VanDerWaalsContact C-N 3.31Å; N140-N142 VanDerWaalsContact CB-O 3.31Å; N140-N142 WeakPolarHBondContact CB-O 3.46Å; N142-E144 PolarHBondContact O-N 2.92Å; N142-E144 VanDerWaalsContact O-N 3.13Å
143	R	95	Very high	96.6	Very high	56 Å²	56	48.3 Å²	48.3	21%	0.211	22%	0.221	C	C	.	.			trans	-72.5	102.7	170	-179.9	65.1	-170.4	-74.5	-1.3	109.7	H82 D117 Y118 I309	H82-R143 PolarHBondContact CD2-NH1 3.18Å; H82-R143 PolarHBondContact CE1-NH1 2.92Å; H82-R143 VanDerWaalsContact CG-CZ 3.47Å; H82-R143 WeakPolarHBondContact ND1-CD 3.27Å; H82-R143 PolarHBondContact NE2-NH1 2.82Å; D117-R143 WeakPolarHBondContact O-CD 3.42Å; D117-R143 VanDerWaalsContact OD2-CD 3.25Å; D117-R143 WeakPolarHBondContact OD2-CD 3.28Å; D117-R143 IonicContact OD2-CZ 3.69Å; D117-R143 IonicContact OD2-NE 3.89Å; D117-R143 PolarHBondContact OD2-NE 2.92Å; Y118-R143 HydrophobicContact CD1-CB 4.38Å; R143-I309 HydrophobicContact CG-CD1 4.22Å
144	E	95.5	Very high	97	Very high	60 Å²	60	38.7 Å²	38.7	28%	0.28	18%	0.179	S	C	.	.			trans	-94.9	-27.4	-176.5	-67.2	-61.7	161.7	0	0	112.8	D117 N140 N142 K148	D117-E144 PolarHBondContact OD1-N 3.17Å; N140-E144 HydrophobicContact CB-CG 4.3Å; N142-E144 PolarHBondContact O-N 2.92Å; N142-E144 VanDerWaalsContact O-N 3.13Å; E144-K148 HydrophobicContact CB-CB 3.8Å; E144-K148 HydrophobicContact CB-CD 4.1Å; E144-K148 WeakPolarHBondContact OE2-CD 3.35Å; E144-K148 IonicContact OE2-NZ 2.92Å; E144-K148 PolarHBondContact OE2-NZ 3.37Å
145	G	95.4	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	94.6	172.9	-174.8	0	0	0	0	0	114	D117 V147 S149 I309	D117-G145 PolarHBondContact OD1-N 3.29Å; D117-G145 WeakPolarHBondContact OD2-CA 3.29Å; D117-G145 PolarHBondContact OD2-N 3.12Å; G145-V147 PolarHBondContact O-N 3.24Å; G145-S149 WeakPolarHBondContact O-CB 3.5Å; G145-S149 PolarHBondContact O-N 3.22Å; G145-S149 PolarHBondContact O-OG 3.49Å; G145-I309 CarbonylContact C-O 3.53Å
146	L	95.8	Very high	97.3	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.12	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-50.8	-176.2	-176.9	65.9	0	0	0	111.9	V80 S149 R150 I309 W310	V80-L146 HydrophobicContact CB-CD1 3.94Å; V80-L146 HydrophobicContact CG1-CD1 4.15Å; V80-L146 HydrophobicContact CG2-CD1 4.35Å; L146-S149 PolarHBondContact O-N 2.97Å; L146-R150 HydrophobicContact CD1-CG 4.11Å; L146-R150 HydrophobicContact CG-CG 4.35Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 VanDerWaalsContact O-CG 3.31Å; L146-R150 WeakPolarHBondContact O-CG 3.28Å; L146-R150 PolarHBondContact O-N 3.42Å; L146-I309 WeakPolarHBondContact CB-O 3.27Å; L146-I309 PolarHBondContact N-O 3.24Å; L146-W310 VanDerWaalsContact CD2-CD1 3.47Å
147	V	96.3	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-58.2	-172.6	166	0	0	0	0	111.5	G145 S149 R150 M151 Y303 D304 M307 E313	G145-V147 PolarHBondContact O-N 3.24Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.4Å; V147-R150 PolarHBondContact O-N 3.03Å; V147-M151 WeakPolarHBondContact O-CG 3.37Å; V147-M151 PolarHBondContact O-N 3.1Å; V147-Y303 VanDerWaalsContact CG1-CB 3.49Å; V147-Y303 HydrophobicContact CG1-CG 4.23Å; V147-D304 VanDerWaalsContact CG1-O 3.28Å; V147-D304 WeakPolarHBondContact CG1-O 3.36Å; V147-M307 HydrophobicContact CG2-CB 4.2Å; V147-E313 HydrophobicContact CG2-CB 3.49Å; V147-E313 VanDerWaalsContact CG2-CB 3.49Å; V147-E313 HydrophobicContact CG2-CG 3.75Å
148	K	97.6	Very high	97.4	Very high	65 Å²	65	43.6 Å²	43.6	28%	0.283	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-36.1	-179.9	-70.1	-174.7	-173.6	-176.4	0	112.2	E144 M151 N152 E305	E144-K148 HydrophobicContact CB-CB 3.8Å; E144-K148 HydrophobicContact CB-CD 4.1Å; E144-K148 WeakPolarHBondContact OE2-CD 3.35Å; E144-K148 IonicContact OE2-NZ 2.92Å; E144-K148 PolarHBondContact OE2-NZ 3.37Å; K148-M151 PolarHBondContact O-N 2.81Å; K148-N152 PolarHBondContact O-N 3.23Å; K148-E305 WeakPolarHBondContact CE-O 3.26Å; K148-E305 HydrophobicContact CG-CB 4.2Å; K148-E305 HydrophobicContact CG-CG 4.4Å; K148-E305 WeakPolarHBondContact CG-O 3.41Å
149	S	98.5	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-42.1	175	-64.2	0	0	0	0	112.5	D117 N140 G145 L146 V147 M151 N152 G153	D117-S149 WeakPolarHBondContact CB-OG 3.39Å; D117-S149 PolarHBondContact OD1-OG 2.55Å; N140-S149 PolarHBondContact ND2-OG 3.21Å; G145-S149 WeakPolarHBondContact O-CB 3.5Å; G145-S149 PolarHBondContact O-N 3.22Å; G145-S149 PolarHBondContact O-OG 3.49Å; L146-S149 PolarHBondContact O-N 2.97Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.4Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 2.59Å; S149-N152 WeakPolarHBondContact O-CB 3.31Å; S149-N152 PolarHBondContact O-N 2.75Å; S149-G153 PolarHBondContact O-N 2.99Å
150	R	98.3	Very high	97.5	Very high	3 Å²	3	43 Å²	43	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-39.1	173.5	-77	-176.5	175.6	-150	-6.7	111	V80 L146 V147 G153 A154 F164 D166 G287 G288 Y303	V80-R150 HydrophobicContact CG2-CB 4.39Å; V80-R150 HydrophobicContact CG2-CG 3.6Å; L146-R150 HydrophobicContact CD1-CG 4.11Å; L146-R150 HydrophobicContact CG-CG 4.35Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 VanDerWaalsContact O-CG 3.31Å; L146-R150 WeakPolarHBondContact O-CG 3.28Å; L146-R150 PolarHBondContact O-N 3.42Å; V147-R150 PolarHBondContact O-N 3.03Å; R150-G153 PolarHBondContact O-N 3.42Å; R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.27Å; R150-A154 PolarHBondContact O-N 2.91Å; R150-F164 HydrophobicContact CB-CD1 4.16Å; R150-F164 HydrophobicContact CB-CE1 3.83Å; R150-F164 HydrophobicContact CG-CD1 3.97Å; R150-F164 HydrophobicContact CG-CE1 4.18Å; R150-D166 IonicContact NH2-OD1 2.93Å; R150-D166 PolarHBondContact NH2-OD1 3.14Å; R150-G287 PolarHBondContact NH1-O 2.51Å; R150-G287 PolarHBondContact NH2-O 3.48Å; R150-G288 PolarHBondContact NH2-O 2.63Å; R150-Y303 HydrophobicContact CB-CD2 4.22Å; R150-Y303 HydrophobicContact CB-CE2 4.01Å; R150-Y303 PolarHBondContact NH1-OH 2.87Å
151	M	98.3	Very high	97.5	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-39.6	174.7	-70.1	-64	-71.2	0	0	112.3	V147 K148 S149 A154 R155 F297 F298 Y303 E305	V147-M151 WeakPolarHBondContact O-CG 3.37Å; V147-M151 PolarHBondContact O-N 3.1Å; K148-M151 PolarHBondContact O-N 2.81Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 2.59Å; M151-A154 PolarHBondContact O-N 3.19Å; M151-R155 VanDerWaalsContact O-CG 3.31Å; M151-R155 WeakPolarHBondContact O-CG 3.41Å; M151-R155 PolarHBondContact O-N 3.45Å; M151-F297 HydrophobicContact SD-CE1 3.62Å; M151-F297 HydrophobicContact SD-CZ 3.76Å; M151-F298 HydrophobicContact CE-CD1 4.4Å; M151-F298 HydrophobicContact CE-CE1 3.84Å; M151-Y303 HydrophobicContact CG-CD2 4.28Å; M151-Y303 HydrophobicContact SD-CD2 4.11Å; M151-Y303 PolarHBondContact SD-N 3.26Å; M151-E305 HydrophobicContact CB-CG 4.06Å; M151-E305 HydrophobicContact CE-CG 4.39Å; M151-E305 WeakPolarHBondContact CE-OE1 3.29Å; M151-E305 HydrophobicContact CG-CG 3.68Å
152	N	98.6	Very high	97.6	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.214	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-46.9	172.6	-171.5	10.9	0	0	0	111.3	N140 K148 S149 R155 N156	N140-N152 PolarHBondContact OD1-ND2 3.48Å; K148-N152 PolarHBondContact O-N 3.23Å; S149-N152 WeakPolarHBondContact O-CB 3.31Å; S149-N152 PolarHBondContact O-N 2.75Å; N152-R155 PolarHBondContact O-N 3.1Å; N152-N156 PolarHBondContact O-N 2.81Å; N152-N156 VanDerWaalsContact O-N 3.12Å; N152-N156 PolarHBondContact O-ND2 3.49Å; N152-N156 PolarHBondContact OD1-ND2 2.93Å
153	G	98.7	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-45.5	174	0	0	0	0	0	113.1	S149 R150 R155 N156 A157	S149-G153 PolarHBondContact O-N 2.99Å; R150-G153 PolarHBondContact O-N 3.42Å; G153-R155 VanDerWaalsContact C-N 3.34Å; G153-R155 PolarHBondContact O-N 3.42Å; G153-N156 PolarHBondContact O-N 2.82Å; G153-A157 WeakPolarHBondContact O-CB 3.49Å; G153-A157 PolarHBondContact O-N 3.18Å
154	A	98.6	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-36.6	179.6	0	0	0	0	0	113.1	I78 R150 M151 L162 F164 K294 F297 F298	I78-A154 HydrophobicContact CD1-CB 4.12Å; R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.27Å; R150-A154 PolarHBondContact O-N 2.91Å; M151-A154 PolarHBondContact O-N 3.19Å; A154-L162 HydrophobicContact CB-CD1 3.78Å; A154-F164 HydrophobicContact CB-CE1 4.47Å; A154-F164 HydrophobicContact CB-CZ 4.07Å; A154-K294 VanDerWaalsContact O-CE 3.29Å; A154-K294 WeakPolarHBondContact O-CE 3.12Å; A154-F297 HydrophobicContact CB-CD1 4.45Å; A154-F297 HydrophobicContact CB-CE1 4.01Å; A154-F298 HydrophobicContact CB-CE2 4.18Å; A154-F298 HydrophobicContact CB-CZ 3.73Å
155	R	98.5	Very high	98.1	Very high	122 Å²	122	24.7 Å²	24.7	46%	0.46	12%	0.12	S	C	.	.	H	α-helix	trans	-68	-43.5	175.4	-73.5	177.7	-175.8	111.5	0.8	111.8	M151 N152 G153 A157 F298 E305	M151-R155 VanDerWaalsContact O-CG 3.31Å; M151-R155 WeakPolarHBondContact O-CG 3.41Å; M151-R155 PolarHBondContact O-N 3.45Å; N152-R155 PolarHBondContact O-N 3.1Å; G153-R155 VanDerWaalsContact C-N 3.34Å; G153-R155 PolarHBondContact O-N 3.42Å; R155-A157 VanDerWaalsContact C-N 3.3Å; R155-A157 PolarHBondContact O-N 3.11Å; R155-F298 HydrophobicContact CG-CE1 4.13Å; R155-F298 HydrophobicContact CG-CZ 3.95Å; R155-E305 IonicContact CZ-OE1 2.58Å; R155-E305 IonicContact CZ-OE2 3.88Å; R155-E305 VanDerWaalsContact CZ-OE2 3.24Å; R155-E305 IonicContact NH1-OE1 2.85Å; R155-E305 IonicContact NH1-OE2 3.92Å; R155-E305 PolarHBondContact NH1-OE2 3.38Å; R155-E305 IonicContact NH2-OE1 3.79Å; R155-E305 PolarHBondContact NH2-OE1 3.45Å; R155-E305 IonicContact NH2-OE2 3.05Å; R155-E305 PolarHBondContact NH2-OE2 2.95Å
156	N	98.5	Very high	98.2	Very high	51 Å²	51	25.8 Å²	25.8	27%	0.273	13%	0.126	S	C	.	.	H	α-helix	trans	-74.1	-19.5	-179.6	-82.4	-86	0	0	0	113.8	I113 R136 I138 N152 G153	I113-N156 HydrophobicContact CD1-CB 4.11Å; R136-N156 PolarHBondContact NH2-OD1 3.23Å; I138-N156 HydrophobicContact CD1-CB 3.73Å; N152-N156 PolarHBondContact O-N 2.81Å; N152-N156 VanDerWaalsContact O-N 3.12Å; N152-N156 PolarHBondContact O-ND2 3.49Å; N152-N156 PolarHBondContact OD1-ND2 2.93Å; G153-N156 PolarHBondContact O-N 2.82Å
157	A	98.7	Very high	98.3	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	12%	0.122	C	C	.	.			trans	-59.3	135.8	177.4	0	0	0	0	0	112.5	I78 E111 I113 G153 R155 L162 K294	I78-A157 HydrophobicContact CD1-CB 4.41Å; E111-A157 WeakPolarHBondContact OE1-CA 3.41Å; I113-A157 VanDerWaalsContact CD1-CA 3.45Å; I113-A157 HydrophobicContact CD1-CB 4Å; G153-A157 WeakPolarHBondContact O-CB 3.49Å; G153-A157 PolarHBondContact O-N 3.18Å; R155-A157 VanDerWaalsContact C-N 3.3Å; R155-A157 PolarHBondContact O-N 3.11Å; A157-L162 HydrophobicContact CB-CD2 3.46Å; A157-L162 VanDerWaalsContact CB-CD2 3.46Å; A157-K294 PolarHBondContact O-NZ 3.46Å
158	T	98	Very high	98.3	Very high	96 Å²	96	26.4 Å²	26.4	59%	0.589	13%	0.129	S	C	*	.			trans	-103.4	-12.7	177.3	58.4	0	0	0	0	113.2	S76 E111	S76-T158 PolarHBondContact OG-N 2.98Å; E111-T158 PolarHBondContact OE1-N 3.45Å; E111-T158 PolarHBondContact OE1-OG1 2.92Å
159	G	98.2	Very high	98.3	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	12%	0.117	C	C	.	.	S	Bend	trans	-70.2	152.6	173.4	0	0	0	0	0	113.1	K74 S76 K294	K74-G159 CarbonylContact O-C 3.5Å; K74-G159 WeakPolarHBondContact O-CA 3.41Å; S76-G159 WeakPolarHBondContact OG-CA 3.47Å; S76-G159 PolarHBondContact OG-N 2.97Å; G159-K294 WeakPolarHBondContact O-CD 3.33Å
160	E	98.3	Very high	98.2	Very high	103 Å²	103	26.5 Å²	26.5	48%	0.481	13%	0.131	S	C	.	.	S	Bend	trans	-77.9	-29	172.9	-63.9	166.4	-96	0	0	111.3	P73 K74 W293 K294	P73-E160 HydrophobicContact CB-CB 3.91Å; P73-E160 HydrophobicContact CB-CG 4.43Å; P73-E160 WeakPolarHBondContact CB-OE1 3.45Å; K74-E160 PolarHBondContact N-OE1 2.61Å; K74-E160 PolarHBondContact O-N 2.61Å; E160-W293 HydrophobicContact CB-CE3 4.27Å; E160-W293 HydrophobicContact CB-CZ3 4.01Å; E160-K294 WeakPolarHBondContact O-CB 3.48Å; E160-K294 PolarHBondContact O-N 3.05Å
161	I	98.6	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	173	-62.1	172.9	0	0	0	108.7	P73 K74 I75 S76 V163 V180 L183 A291 W293	P73-I161 HydrophobicContact CB-CD1 4.25Å; P73-I161 HydrophobicContact CB-CG1 4.37Å; P73-I161 HydrophobicContact CG-CD1 3.97Å; P73-I161 HydrophobicContact CG-CG1 4.42Å; K74-I161 PolarHBondContact O-N 3.4Å; I75-I161 WeakPolarHBondContact CA-O 3.46Å; I75-I161 HydrophobicContact CG1-CB 4.24Å; S76-I161 PolarHBondContact N-O 2.73Å; I161-V163 HydrophobicContact CG2-CG2 4.19Å; I161-V180 HydrophobicContact CD1-CB 4.18Å; I161-V180 HydrophobicContact CD1-CG1 4.33Å; I161-V180 HydrophobicContact CG2-CG1 4.37Å; I161-L183 HydrophobicContact CD1-CD2 4.3Å; I161-L183 HydrophobicContact CG1-CD2 4.18Å; I161-L183 HydrophobicContact CG2-CD2 3.84Å; I161-A291 HydrophobicContact CG2-CB 4.3Å; I161-W293 HydrophobicContact CG1-CD2 4.26Å; I161-W293 HydrophobicContact CG1-CE3 3.97Å; I161-W293 HydrophobicContact CG1-CH2 4.49Å; I161-W293 HydrophobicContact CG1-CZ3 4.11Å
162	L	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.6	169.8	-53.9	-175.2	0	0	0	108.9	I78 A154 A157 F164 A291 V292 K294 F297	I78-L162 HydrophobicContact CD1-CB 4.28Å; I78-L162 HydrophobicContact CD1-CD1 4.41Å; I78-L162 HydrophobicContact CD1-CD2 4.1Å; I78-L162 HydrophobicContact CD1-CG 4.49Å; A154-L162 HydrophobicContact CB-CD1 3.78Å; A157-L162 HydrophobicContact CB-CD2 3.46Å; A157-L162 VanDerWaalsContact CB-CD2 3.46Å; L162-F164 HydrophobicContact CB-CE2 3.94Å; L162-F164 HydrophobicContact CB-CZ 4.41Å; L162-F164 HydrophobicContact CD1-CE2 4.18Å; L162-F164 HydrophobicContact CD1-CZ 4.08Å; L162-A291 CarbonylContact O-C 3.42Å; L162-A291 VanDerWaalsContact O-CA 3.22Å; L162-A291 WeakPolarHBondContact O-CA 3.35Å; L162-V292 HydrophobicContact CB-CG1 4.1Å; L162-V292 PolarHBondContact N-O 3Å; L162-V292 PolarHBondContact O-N 3.48Å; L162-K294 HydrophobicContact CD1-CB 4.21Å; L162-K294 HydrophobicContact CD1-CG 4.11Å; L162-K294 HydrophobicContact CD2-CB 4Å; L162-K294 HydrophobicContact CD2-CD 4.16Å; L162-K294 HydrophobicContact CD2-CG 4.04Å; L162-K294 HydrophobicContact CG-CB 3.83Å; L162-K294 HydrophobicContact CG-CG 4.13Å; L162-F297 HydrophobicContact CD1-CB 4.48Å; L162-F297 HydrophobicContact CD1-CD1 3.94Å; L162-F297 HydrophobicContact CD1-CG 4.35Å
163	V	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.2	171.5	-178.6	0	0	0	0	108.1	I75 S76 I77 I78 I161 L165 W175 L176 F290 A291	I75-V163 HydrophobicContact CG2-CG2 3.65Å; S76-V163 PolarHBondContact O-N 2.79Å; I77-V163 CarbonylContact C-O 3.46Å; I77-V163 WeakPolarHBondContact CA-O 3.42Å; I77-V163 HydrophobicContact CG1-CB 4.2Å; I78-V163 PolarHBondContact N-O 2.95Å; I161-V163 HydrophobicContact CG2-CG2 4.19Å; V163-L165 HydrophobicContact CG1-CG 4.33Å; V163-W175 HydrophobicContact CG1-CH2 4.02Å; V163-W175 HydrophobicContact CG1-CZ3 4.06Å; V163-L176 HydrophobicContact CG2-CD1 4.01Å; V163-F290 CarbonylContact C-O 3.35Å; V163-F290 WeakPolarHBondContact CA-O 3.47Å; V163-A291 HydrophobicContact CG2-CB 3.92Å
164	F	98.8	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.4	175.4	-64.7	-85.5	0	0	0	109.7	I78 R150 A154 L162 L289 F290 V292 F297	I78-F164 HydrophobicContact CB-CD1 3.92Å; I78-F164 HydrophobicContact CB-CE1 4.11Å; I78-F164 HydrophobicContact CD1-CD1 4.18Å; I78-F164 HydrophobicContact CD1-CE1 3.6Å; I78-F164 HydrophobicContact CD1-CZ 3.86Å; I78-F164 HydrophobicContact CG1-CE1 4.48Å; I78-F164 HydrophobicContact CG2-CD1 4Å; I78-F164 HydrophobicContact CG2-CE1 4.02Å; R150-F164 HydrophobicContact CB-CD1 4.16Å; R150-F164 HydrophobicContact CB-CE1 3.83Å; R150-F164 HydrophobicContact CG-CD1 3.97Å; R150-F164 HydrophobicContact CG-CE1 4.18Å; A154-F164 HydrophobicContact CB-CE1 4.47Å; A154-F164 HydrophobicContact CB-CZ 4.07Å; L162-F164 HydrophobicContact CB-CE2 3.94Å; L162-F164 HydrophobicContact CB-CZ 4.41Å; L162-F164 HydrophobicContact CD1-CE2 4.18Å; L162-F164 HydrophobicContact CD1-CZ 4.08Å; F164-L289 WeakPolarHBondContact O-CA 3.39Å; F164-F290 HydrophobicContact CB-CD1 4.28Å; F164-F290 HydrophobicContact CB-CE1 4Å; F164-F290 HydrophobicContact CB-CZ 4.24Å; F164-F290 HydrophobicContact CD2-CD2 4.02Å; F164-F290 AromaticContact CD2-CE1 3.92Å; F164-F290 HydrophobicContact CD2-CE1 3.92Å; F164-F290 AromaticContact CD2-CE2 3.34Å; F164-F290 HydrophobicContact CD2-CE2 3.34Å; F164-F290 AromaticContact CD2-CZ 3.28Å; F164-F290 HydrophobicContact CD2-CZ 3.28Å; F164-F290 AromaticContact CE2-CE2 3.73Å; F164-F290 HydrophobicContact CE2-CE2 3.73Å; F164-F290 AromaticContact CE2-CZ 3.76Å; F164-F290 HydrophobicContact CE2-CZ 3.76Å; F164-F290 HydrophobicContact CG-CE1 4.15Å; F164-F290 HydrophobicContact CG-CE2 4.33Å; F164-F290 AromaticContact CG-CZ 3.9Å; F164-F290 HydrophobicContact CG-CZ 3.9Å; F164-F290 PolarHBondContact N-O 3.36Å; F164-F290 PolarHBondContact O-N 3.03Å; F164-F290 VanDerWaalsContact O-N 3.17Å; F164-V292 HydrophobicContact CE2-CG1 4.17Å; F164-F297 HydrophobicContact CE2-CE2 4.49Å; F164-F297 HydrophobicContact CZ-CE1 4.3Å; F164-F297 HydrophobicContact CZ-CZ 4.18Å
165	L	98.7	Very high	97.3	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.2	172	-65.1	177.2	0	0	0	110.4	I77 I78 I79 I96 V163 V169 T171 W175 L289	I77-L165 HydrophobicContact CG2-CD1 3.94Å; I77-L165 HydrophobicContact CG2-CG 4.36Å; I78-L165 PolarHBondContact O-N 2.93Å; I79-L165 HydrophobicContact CG1-CB 4.09Å; I96-L165 HydrophobicContact CD1-CD1 3.6Å; I96-L165 HydrophobicContact CG1-CD1 4.04Å; V163-L165 HydrophobicContact CG1-CG 4.33Å; L165-V169 HydrophobicContact CB-CG2 4.42Å; L165-T171 HydrophobicContact CD1-CG2 4.29Å; L165-W175 HydrophobicContact CD1-CH2 3.65Å; L165-W175 HydrophobicContact CD1-CZ2 4.34Å; L165-W175 HydrophobicContact CD1-CZ3 4.11Å; L165-W175 HydrophobicContact CD2-CH2 4.4Å; L165-W175 HydrophobicContact CD2-CZ3 4.02Å; L165-W175 HydrophobicContact CG-CH2 4.38Å; L165-W175 HydrophobicContact CG-CZ3 4.49Å; L165-L289 HydrophobicContact CB-CD2 4.34Å; L165-L289 HydrophobicContact CD2-CB 4.28Å; L165-L289 HydrophobicContact CD2-CD2 3.82Å
166	D	97.7	Very high	97.3	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.123	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	157.7	169	-68.4	-23.5	0	0	0	110.8	R150 H168 V169 G288 L289 H338	R150-D166 IonicContact NH2-OD1 2.93Å; R150-D166 PolarHBondContact NH2-OD1 3.14Å; D166-H168 PolarHBondContact O-N 3.36Å; D166-V169 HydrophobicContact CB-CG1 4.08Å; D166-V169 WeakPolarHBondContact O-CG2 3.33Å; D166-G288 WeakPolarHBondContact OD1-CA 3.43Å; D166-G288 VanDerWaalsContact OD2-CA 3.27Å; D166-G288 WeakPolarHBondContact OD2-CA 3.26Å; D166-L289 HydrophobicContact CB-CD2 4.24Å; D166-H338 IonicContact OD2-CD2 3.81Å; D166-H338 IonicContact OD2-NE2 3.7Å; D166-H338 PolarHBondContact OD2-NE2 2.89Å
167	A	97.3	Very high	97.1	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	12%	0.12	C	C	.	.	S	Bend	trans	-71.5	-5.1	-179.6	0	0	0	0	0	114.7	I79 V80 E84 L89 T92	I79-A167 HydrophobicContact CG2-CB 3.97Å; V80-A167 WeakPolarHBondContact O-CB 3.4Å; E84-A167 HydrophobicContact CG-CB 4.1Å; L89-A167 HydrophobicContact CD1-CB 4.09Å; T92-A167 WeakPolarHBondContact CB-O 3.22Å; T92-A167 VanDerWaalsContact OG1-C 3.29Å; T92-A167 PolarHBondContact OG1-O 3.1Å
168	H	96.5	Very high	97	Very high	35 Å²	35	23.7 Å²	23.7	16%	0.162	12%	0.12	C	C	.	.	S	Bend	trans	-130	59.3	-173.4	45.9	-103.9	0	0	0	112	E84 I88 D166 H338 M339	E84-H168 IonicContact OE2-CE1 2.74Å; E84-H168 IonicContact OE2-CG 3.29Å; E84-H168 IonicContact OE2-ND1 2.81Å; E84-H168 PolarHBondContact OE2-ND1 2.9Å; I88-H168 HydrophobicContact CG2-CB 3.57Å; D166-H168 PolarHBondContact O-N 3.36Å; H168-H338 AromaticContact CD2-CE1 3.52Å; H168-H338 AromaticContact CD2-NE2 3.72Å; H168-H338 AromaticContact NE2-CE1 3.52Å; H168-H338 AromaticContact NE2-NE2 3.66Å; H168-M339 HydrophobicContact CB-CB 4.15Å; H168-M339 HydrophobicContact CB-SD 4.32Å; H168-M339 WeakPolarHBondContact O-CB 3.42Å; H168-M339 PolarHBondContact O-N 3.25Å
169	V	97.8	Very high	96.9	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.024	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.8	178.8	-58.9	0	0	0	0	111.8	T92 L165 D166 L289 V336 G337	T92-V169 VanDerWaalsContact CA-O 3.23Å; T92-V169 WeakPolarHBondContact CA-O 3.36Å; T92-V169 WeakPolarHBondContact CB-O 3.23Å; T92-V169 HydrophobicContact CG2-CG2 3.67Å; T92-V169 PolarHBondContact OG1-N 3.37Å; T92-V169 VanDerWaalsContact OG1-N 3.14Å; T92-V169 PolarHBondContact OG1-O 3.46Å; L165-V169 HydrophobicContact CB-CG2 4.42Å; D166-V169 HydrophobicContact CB-CG1 4.08Å; D166-V169 WeakPolarHBondContact O-CG2 3.33Å; V169-L289 HydrophobicContact CG1-CD1 4.13Å; V169-L289 HydrophobicContact CG1-CD2 3.67Å; V169-V336 HydrophobicContact CB-CG1 3.72Å; V169-V336 HydrophobicContact CG1-CG1 4.28Å; V169-V336 HydrophobicContact CG2-CG1 4.07Å; V169-G337 CarbonylContact C-O 3.49Å; V169-G337 WeakPolarHBondContact CA-O 3.2Å; V169-G337 VanDerWaalsContact CB-O 3.29Å; V169-G337 WeakPolarHBondContact CB-O 3.22Å
170	E	97	Very high	96.9	Very high	63 Å²	63	19 Å²	19	29%	0.294	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	105.7	174.3	-176.3	178.4	170.3	0	0	107.8	T228 K231 G337	E170-T228 HydrophobicContact CB-CG2 4.41Å; E170-K231 IonicContact OE1-NZ 3.8Å; E170-K231 PolarHBondContact OE1-NZ 3.01Å; E170-K231 VanDerWaalsContact OE2-CE 3.25Å; E170-K231 WeakPolarHBondContact OE2-CE 3.23Å; E170-K231 IonicContact OE2-NZ 3.73Å; E170-K231 PolarHBondContact OE2-NZ 2.89Å; E170-G337 PolarHBondContact N-O 2.86Å; E170-G337 PolarHBondContact O-N 3.45Å
171	T	97.8	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	147.1	174.9	57.2	0	0	0	0	110	S95 I96 N99 L165 W175 V336	S95-T171 PolarHBondContact O-OG1 3.38Å; S95-T171 VanDerWaalsContact O-OG1 3.11Å; S95-T171 PolarHBondContact OG-N 2.97Å; S95-T171 PolarHBondContact OG-OG1 3.09Å; S95-T171 VanDerWaalsContact OG-OG1 3.1Å; I96-T171 WeakPolarHBondContact CA-OG1 3.36Å; I96-T171 HydrophobicContact CG1-CG2 3.75Å; I96-T171 PolarHBondContact N-OG1 3.41Å; I96-T171 VanDerWaalsContact N-OG1 3.16Å; N99-T171 PolarHBondContact ND2-O 2.97Å; L165-T171 HydrophobicContact CD1-CG2 4.29Å; T171-W175 HydrophobicContact CG2-CD2 3.64Å; T171-W175 HydrophobicContact CG2-CE3 4.01Å; T171-W175 HydrophobicContact CG2-CG 4.1Å; T171-W175 HydrophobicContact CG2-CH2 4.28Å; T171-W175 HydrophobicContact CG2-CZ2 3.93Å; T171-W175 HydrophobicContact CG2-CZ3 4.31Å; T171-V336 HydrophobicContact CG2-CG1 4.35Å; T171-V336 HydrophobicContact CG2-CG2 4.2Å
172	L	95	Very high	96.7	Very high	25 Å²	25	15.2 Å²	15.2	13%	0.131	7%	0.074	C	C	.	.			trans	-104.7	166.5	177.9	-70.3	158	0	0	0	111.1	N99 H174 W175 L226 Y234 R335	N99-L172 WeakPolarHBondContact CB-O 3.29Å; L172-H174 PolarHBondContact O-N 3.31Å; L172-W175 VanDerWaalsContact O-CB 3.23Å; L172-W175 WeakPolarHBondContact O-CB 3.44Å; L172-W175 PolarHBondContact O-N 3.43Å; L172-L226 HydrophobicContact CD1-CD1 4Å; L172-Y234 HydrophobicContact CD1-CD2 3.63Å; L172-Y234 HydrophobicContact CD1-CE2 3.89Å; L172-Y234 HydrophobicContact CD1-CG 4.28Å; L172-Y234 HydrophobicContact CD2-CD2 3.66Å; L172-Y234 HydrophobicContact CD2-CE2 3.82Å; L172-Y234 HydrophobicContact CG-CD2 4.22Å; L172-Y234 HydrophobicContact CG-CE2 4.25Å; L172-R335 HydrophobicContact CB-CB 4.27Å; L172-R335 WeakPolarHBondContact CB-O 3.5Å; L172-R335 HydrophobicContact CD1-CB 3.45Å; L172-R335 VanDerWaalsContact CD1-CB 3.45Å; L172-R335 HydrophobicContact CG-CB 4.46Å; L172-R335 PolarHBondContact N-O 3.4Å
173	E	92.8	Very high	96.6	Very high	119 Å²	119	15.2 Å²	15.2	56%	0.556	7%	0.074	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	136	178.7	-172.6	177.8	-174.6	0	0	111.4	L43 W175	L43-E173 VanDerWaalsContact CD2-CD 3.43Å; L43-E173 HydrophobicContact CD2-CG 4.16Å; L43-E173 WeakPolarHBondContact CD2-OE2 3.37Å; E173-W175 PolarHBondContact O-N 2.88Å
174	H	92	Very high	96.4	Very high	11 Å²	11	15.5 Å²	15.5	5%	0.051	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	28.5	178.8	-169.2	71.5	0	0	0	113.7	L43 N47 T50 Y65 N99 L172 E177 P178	L43-H174 HydrophobicContact CD1-CB 3.59Å; N47-H174 PolarHBondContact OD1-CD2 2.95Å; N47-H174 PolarHBondContact OD1-CE1 2.83Å; N47-H174 VanDerWaalsContact OD1-CG 3.23Å; N47-H174 PolarHBondContact OD1-ND1 3.3Å; N47-H174 PolarHBondContact OD1-NE2 2.95Å; T50-H174 PolarHBondContact OG1-NE2 2.76Å; Y65-H174 AromaticContact CZ-CE1 3.99Å; Y65-H174 PolarHBondContact OH-CE1 3.45Å; Y65-H174 PolarHBondContact OH-ND1 2.89Å; Y65-H174 VanDerWaalsContact OH-ND1 3.14Å; N99-H174 PolarHBondContact O-N 3.49Å; L172-H174 PolarHBondContact O-N 3.31Å; H174-E177 WeakPolarHBondContact CE1-CB 3.07Å; H174-E177 IonicContact ND1-OE1 2.91Å; H174-E177 IonicContact ND1-OE2 2.64Å; H174-P178 WeakPolarHBondContact O-CD 3.45Å; H174-P178 WeakPolarHBondContact O-CG 3.15Å
175	W	96.6	Very high	96.2	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.083	C	C	.	.			trans	-68.4	-34	-179.4	72.4	-73.2	0	0	0	113.4	I77 I96 T100 V163 L165 T171 L172 E173 S334 V336	I77-W175 HydrophobicContact CD1-CH2 4.39Å; I77-W175 HydrophobicContact CD1-CZ2 4.32Å; I96-W175 HydrophobicContact CG1-CZ2 4.41Å; I96-W175 HydrophobicContact CG2-CZ2 4.21Å; T100-W175 PolarHBondContact OG1-NE1 2.94Å; V163-W175 HydrophobicContact CG1-CH2 4.02Å; V163-W175 HydrophobicContact CG1-CZ3 4.06Å; L165-W175 HydrophobicContact CD1-CH2 3.65Å; L165-W175 HydrophobicContact CD1-CZ2 4.34Å; L165-W175 HydrophobicContact CD1-CZ3 4.11Å; L165-W175 HydrophobicContact CD2-CH2 4.4Å; L165-W175 HydrophobicContact CD2-CZ3 4.02Å; L165-W175 HydrophobicContact CG-CH2 4.38Å; L165-W175 HydrophobicContact CG-CZ3 4.49Å; T171-W175 HydrophobicContact CG2-CD2 3.64Å; T171-W175 HydrophobicContact CG2-CE3 4.01Å; T171-W175 HydrophobicContact CG2-CG 4.1Å; T171-W175 HydrophobicContact CG2-CH2 4.28Å; T171-W175 HydrophobicContact CG2-CZ2 3.93Å; T171-W175 HydrophobicContact CG2-CZ3 4.31Å; L172-W175 VanDerWaalsContact O-CB 3.23Å; L172-W175 WeakPolarHBondContact O-CB 3.44Å; L172-W175 PolarHBondContact O-N 3.43Å; E173-W175 PolarHBondContact O-N 2.88Å; W175-S334 VanDerWaalsContact O-CB 3.27Å; W175-S334 WeakPolarHBondContact O-CB 3.4Å; W175-S334 PolarHBondContact O-OG 3.06Å; W175-V336 HydrophobicContact CE3-CG2 3.93Å
176	L	97.7	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-87.4	-42.7	-167	-174.8	55.3	0	0	0	113.3	I75 T100 L104 V109 V163 L179 V180	I75-L176 HydrophobicContact CD1-CD2 4.23Å; T100-L176 HydrophobicContact CG2-CD2 4.16Å; L104-L176 HydrophobicContact CD2-CB 3.97Å; L104-L176 HydrophobicContact CD2-CD2 3.7Å; L104-L176 HydrophobicContact CD2-CG 3.8Å; V109-L176 HydrophobicContact CG2-CD2 4.04Å; V163-L176 HydrophobicContact CG2-CD1 4.01Å; L176-L179 WeakPolarHBondContact O-CB 2.92Å; L176-L179 PolarHBondContact O-N 3.12Å; L176-V180 HydrophobicContact CD1-CG1 3.77Å; L176-V180 HydrophobicContact CG-CG1 4.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.19Å; L176-V180 PolarHBondContact O-N 2.72Å
177	E	95	Very high	95.9	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-51.7	-53.4	178.8	-71	92.9	145.7	0	0	114.7	T50 Y69 S101 L104 H174 L179 V180 V181	T50-E177 HydrophobicContact CG2-CB 4.35Å; Y69-E177 HydrophobicContact CE1-CG 4.2Å; Y69-E177 PolarHBondContact OH-OE1 2.75Å; S101-E177 WeakPolarHBondContact CB-OE1 3.11Å; L104-E177 HydrophobicContact CD2-CG 3.98Å; H174-E177 WeakPolarHBondContact CE1-CB 3.07Å; H174-E177 IonicContact ND1-OE1 2.91Å; H174-E177 IonicContact ND1-OE2 2.64Å; E177-L179 PolarHBondContact O-N 2.78Å; E177-V180 WeakPolarHBondContact O-CG2 3.25Å; E177-V180 PolarHBondContact O-N 2.79Å; E177-V181 VanDerWaalsContact O-CB 3.28Å; E177-V181 WeakPolarHBondContact O-CB 3.3Å; E177-V181 VanDerWaalsContact O-CG2 3.29Å; E177-V181 WeakPolarHBondContact O-CG2 3.26Å; E177-V181 PolarHBondContact O-N 2.84Å
178	P	95.5	Very high	95.6	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.039	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-33.7	-178.9	21.8	-30.2	0	0	0	111.5	H174 Q182 I331 C333	H174-P178 WeakPolarHBondContact O-CD 3.45Å; H174-P178 WeakPolarHBondContact O-CG 3.15Å; P178-Q182 WeakPolarHBondContact O-CB 3.41Å; P178-Q182 PolarHBondContact O-N 3.45Å; P178-Q182 VanDerWaalsContact O-N 3.12Å; P178-I331 HydrophobicContact CB-CG2 4.09Å; P178-C333 HydrophobicContact CB-CB 3.92Å; P178-C333 HydrophobicContact CG-CB 4.28Å
179	L	96.7	Very high	95.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-55	178.2	-163.4	68	0	0	0	110.8	L176 E177 Q182 L183 V221 A291 I331	L176-L179 WeakPolarHBondContact O-CB 2.92Å; L176-L179 PolarHBondContact O-N 3.12Å; E177-L179 PolarHBondContact O-N 2.78Å; L179-Q182 PolarHBondContact O-N 3.38Å; L179-L183 PolarHBondContact O-N 2.8Å; L179-V221 HydrophobicContact CD1-CB 3.84Å; L179-V221 HydrophobicContact CD1-CG2 3.56Å; L179-V221 HydrophobicContact CG-CG2 3.74Å; L179-V221 WeakPolarHBondContact O-CG2 3.46Å; L179-A291 HydrophobicContact CD2-CB 3.72Å; L179-A291 HydrophobicContact CG-CB 3.91Å; L179-I331 HydrophobicContact CD1-CB 4.36Å; L179-I331 HydrophobicContact CD1-CG1 3.85Å
180	V	97.1	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-71.9	-33.7	-176.6	-59.2	0	0	0	0	112.7	I72 I75 I161 L176 E177 L183 I184	I72-V180 HydrophobicContact CD1-CG2 3.81Å; I72-V180 HydrophobicContact CG1-CG2 4.28Å; I72-V180 HydrophobicContact CG2-CG2 4.02Å; I75-V180 HydrophobicContact CD1-CG1 3.9Å; I75-V180 HydrophobicContact CD1-CG2 4.48Å; I75-V180 HydrophobicContact CG1-CG1 4.35Å; I161-V180 HydrophobicContact CD1-CB 4.18Å; I161-V180 HydrophobicContact CD1-CG1 4.33Å; I161-V180 HydrophobicContact CG2-CG1 4.37Å; L176-V180 HydrophobicContact CD1-CG1 3.77Å; L176-V180 HydrophobicContact CG-CG1 4.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.19Å; L176-V180 PolarHBondContact O-N 2.72Å; E177-V180 WeakPolarHBondContact O-CG2 3.25Å; E177-V180 PolarHBondContact O-N 2.79Å; V180-L183 PolarHBondContact O-N 2.71Å; V180-I184 WeakPolarHBondContact O-CD1 3.4Å; V180-I184 VanDerWaalsContact O-CG1 3.22Å; V180-I184 WeakPolarHBondContact O-CG1 3.38Å; V180-I184 PolarHBondContact O-N 3.17Å
181	V	96.3	Very high	94.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176	165.6	0	0	0	0	111.1	T50 T53 L54 I68 I72 E177 L183 I184 S185	T50-V181 HydrophobicContact CG2-CB 3.88Å; T50-V181 HydrophobicContact CG2-CG1 4.04Å; T50-V181 HydrophobicContact CG2-CG2 3.71Å; T50-V181 WeakPolarHBondContact O-CG1 3.48Å; T53-V181 HydrophobicContact CG2-CG1 4.17Å; L54-V181 HydrophobicContact CB-CG1 3.78Å; L54-V181 HydrophobicContact CD1-CG1 4.35Å; L54-V181 HydrophobicContact CD2-CG2 4.41Å; I68-V181 HydrophobicContact CG2-CG2 4.16Å; I72-V181 HydrophobicContact CD1-CG2 4.36Å; E177-V181 VanDerWaalsContact O-CB 3.28Å; E177-V181 WeakPolarHBondContact O-CB 3.3Å; E177-V181 VanDerWaalsContact O-CG2 3.29Å; E177-V181 WeakPolarHBondContact O-CG2 3.26Å; E177-V181 PolarHBondContact O-N 2.84Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.43Å; V181-I184 PolarHBondContact O-N 2.89Å; V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 3.3Å
182	Q	96.6	Very high	94.3	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.098	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-43.6	175.1	-178.2	62.7	5.8	0	0	111	P178 L179 I184 S185 L186 V221 P279 E329 I331	P178-Q182 WeakPolarHBondContact O-CB 3.41Å; P178-Q182 PolarHBondContact O-N 3.45Å; P178-Q182 VanDerWaalsContact O-N 3.12Å; L179-Q182 PolarHBondContact O-N 3.38Å; Q182-I184 VanDerWaalsContact C-N 3.31Å; Q182-I184 PolarHBondContact O-N 2.87Å; Q182-S185 WeakPolarHBondContact O-CB 3.49Å; Q182-S185 PolarHBondContact O-N 3.36Å; Q182-L186 HydrophobicContact CG-CD1 4.11Å; Q182-L186 HydrophobicContact CG-CG 4.34Å; Q182-L186 VanDerWaalsContact O-CG 3.31Å; Q182-L186 WeakPolarHBondContact O-CG 3.35Å; Q182-L186 PolarHBondContact O-N 2.77Å; Q182-V221 HydrophobicContact CB-CG1 4.41Å; Q182-V221 HydrophobicContact CG-CG1 4Å; Q182-P279 HydrophobicContact CG-CG 4.09Å; Q182-E329 PolarHBondContact NE2-OE2 2.86Å; Q182-I331 HydrophobicContact CB-CD1 4.04Å; Q182-I331 HydrophobicContact CB-CG1 4.5Å; Q182-I331 HydrophobicContact CG-CD1 3.64Å
183	L	96.6	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-38.4	178.2	-171.9	64.7	0	0	0	112.8	I161 L179 V180 V181 R187 F219 V221 A291 W293	I161-L183 HydrophobicContact CD1-CD2 4.3Å; I161-L183 HydrophobicContact CG1-CD2 4.18Å; I161-L183 HydrophobicContact CG2-CD2 3.84Å; L179-L183 PolarHBondContact O-N 2.8Å; V180-L183 PolarHBondContact O-N 2.71Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.43Å; L183-R187 PolarHBondContact O-N 2.64Å; L183-F219 HydrophobicContact CD1-CB 3.7Å; L183-F219 WeakPolarHBondContact CD1-O 3.31Å; L183-V221 HydrophobicContact CB-CG2 3.96Å; L183-V221 HydrophobicContact CD1-CG1 4.46Å; L183-V221 HydrophobicContact CD1-CG2 4.29Å; L183-A291 HydrophobicContact CD2-CB 4.34Å; L183-W293 HydrophobicContact CD2-CG 4.39Å; L183-W293 HydrophobicContact CG-CG 4.5Å; L183-W293 PolarHBondContact O-NE1 2.83Å
184	I	95.9	Very high	93.6	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-47.3	173.9	-66.7	159.8	0	0	0	110.7	L54 I72 P73 V180 V181 Q182 L186 R187 K188 W293	L54-I184 HydrophobicContact CD1-CG2 4.08Å; I72-I184 HydrophobicContact CB-CD1 4.39Å; I72-I184 HydrophobicContact CG1-CD1 3.97Å; P73-I184 HydrophobicContact CG-CG1 4.46Å; V180-I184 WeakPolarHBondContact O-CD1 3.4Å; V180-I184 VanDerWaalsContact O-CG1 3.22Å; V180-I184 WeakPolarHBondContact O-CG1 3.38Å; V180-I184 PolarHBondContact O-N 3.17Å; V181-I184 PolarHBondContact O-N 2.89Å; Q182-I184 VanDerWaalsContact C-N 3.31Å; Q182-I184 PolarHBondContact O-N 2.87Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 2.96Å; I184-R187 PolarHBondContact O-N 3.28Å; I184-K188 HydrophobicContact CG2-CG 4.21Å; I184-K188 WeakPolarHBondContact O-CB 3.33Å; I184-K188 WeakPolarHBondContact O-CG 3.39Å; I184-K188 PolarHBondContact O-N 2.81Å; I184-W293 HydrophobicContact CG1-CZ2 4.17Å
185	S	94.7	Very high	93.3	Very high	23 Å²	23	37.9 Å²	37.9	16%	0.161	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-47.1	-178.9	-179	0	0	0	0	111.7	V181 Q182 R187 K188 K189	V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 3.3Å; Q182-S185 WeakPolarHBondContact O-CB 3.49Å; Q182-S185 PolarHBondContact O-N 3.36Å; S185-R187 PolarHBondContact O-N 3.49Å; S185-K188 PolarHBondContact O-N 2.84Å; S185-K189 WeakPolarHBondContact O-CB 3.42Å; S185-K189 PolarHBondContact O-N 3Å
186	L	94.4	Very high	92.8	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-47.2	176.9	-69.4	174.2	0	0	0	112.3	Q182 I184 K188 K189 Y190 F219 V221	Q182-L186 HydrophobicContact CG-CD1 4.11Å; Q182-L186 HydrophobicContact CG-CG 4.34Å; Q182-L186 VanDerWaalsContact O-CG 3.31Å; Q182-L186 WeakPolarHBondContact O-CG 3.35Å; Q182-L186 PolarHBondContact O-N 2.77Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 2.96Å; L186-K188 PolarHBondContact O-N 3.02Å; L186-K189 PolarHBondContact O-N 2.85Å; L186-Y190 PolarHBondContact O-N 2.86Å; L186-Y190 VanDerWaalsContact O-N 3.07Å; L186-F219 HydrophobicContact CB-CB 4.28Å; L186-F219 HydrophobicContact CB-CD1 3.59Å; L186-F219 HydrophobicContact CB-CD2 3.99Å; L186-F219 HydrophobicContact CB-CE1 3.83Å; L186-F219 HydrophobicContact CB-CE2 4.23Å; L186-F219 HydrophobicContact CB-CG 3.66Å; L186-F219 HydrophobicContact CB-CZ 4.15Å; L186-F219 HydrophobicContact CD1-CB 4.02Å; L186-F219 HydrophobicContact CD1-CD1 3.76Å; L186-F219 HydrophobicContact CD1-CG 4.06Å; L186-F219 HydrophobicContact CD2-CD1 4.37Å; L186-F219 HydrophobicContact CD2-CE1 4.39Å; L186-F219 HydrophobicContact CG-CD1 4.11Å; L186-F219 HydrophobicContact CG-CE1 4.48Å; L186-F219 HydrophobicContact CG-CG 4.47Å; L186-V221 HydrophobicContact CD1-CG1 4.05Å
187	R	93.9	Very high	92	Very high	52 Å²	52	47 Å²	47	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-38.3	178.3	-172.1	169.2	-179.9	159	3.1	112.1	L183 I184 S185 Y190 Q191 F219 W293 D295	L183-R187 PolarHBondContact O-N 2.64Å; I184-R187 PolarHBondContact O-N 3.28Å; S185-R187 PolarHBondContact O-N 3.49Å; R187-Y190 PolarHBondContact O-N 2.91Å; R187-Q191 VanDerWaalsContact O-CG 3.26Å; R187-Q191 WeakPolarHBondContact O-CG 3.35Å; R187-Q191 PolarHBondContact O-N 3.3Å; R187-F219 HydrophobicContact CB-CD2 4.44Å; R187-F219 HydrophobicContact CB-CE2 4.48Å; R187-W293 HydrophobicContact CB-CZ2 4.36Å; R187-W293 VanDerWaalsContact CD-NE1 3.33Å; R187-W293 VanDerWaalsContact NH1-CG 3.25Å; R187-D295 IonicContact CZ-OD1 3.61Å; R187-D295 IonicContact CZ-OD2 2.82Å; R187-D295 IonicContact NH1-OD1 3.45Å; R187-D295 PolarHBondContact NH1-OD1 3.5Å; R187-D295 IonicContact NH1-OD2 3.43Å; R187-D295 PolarHBondContact NH1-OD2 2.92Å; R187-D295 IonicContact NH2-OD1 3.94Å; R187-D295 IonicContact NH2-OD2 2.61Å; R187-D295 PolarHBondContact NH2-OD2 2.76Å
188	K	93	Very high	91.3	Very high	78 Å²	78	54.1 Å²	54.1	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-45	176.5	-75.2	-69.5	176.4	-166.9	0	112.1	I184 S185 L186 Y190 Q191 Q192	I184-K188 HydrophobicContact CG2-CG 4.21Å; I184-K188 WeakPolarHBondContact O-CB 3.33Å; I184-K188 WeakPolarHBondContact O-CG 3.39Å; I184-K188 PolarHBondContact O-N 2.81Å; S185-K188 PolarHBondContact O-N 2.84Å; L186-K188 PolarHBondContact O-N 3.02Å; K188-Y190 PolarHBondContact O-N 3.04Å; K188-Q191 WeakPolarHBondContact O-CB 3.38Å; K188-Q191 PolarHBondContact O-N 2.89Å; K188-Q192 WeakPolarHBondContact O-CG 3.45Å; K188-Q192 PolarHBondContact O-N 3.44Å
189	K	90.9	Very high	90.6	Very high	118 Å²	118	57 Å²	57	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-48.3	175.6	-176.4	178.1	175.1	-179.6	0	111.5	S185 L186 Q191 Q192 E193	S185-K189 WeakPolarHBondContact O-CB 3.42Å; S185-K189 PolarHBondContact O-N 3Å; L186-K189 PolarHBondContact O-N 2.85Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.78Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 2.9Å; K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.45Å; K189-E193 PolarHBondContact O-N 3.29Å
190	Y	91.1	Very high	89.7	Confident	36 Å²	36	61.1 Å²	61.1	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-42.7	175.2	163.3	-117.7	0	0	0	112.8	L186 R187 K188 Q192 E193 K194 P215 V216 K217	L186-Y190 PolarHBondContact O-N 2.86Å; L186-Y190 VanDerWaalsContact O-N 3.07Å; R187-Y190 PolarHBondContact O-N 2.91Å; K188-Y190 PolarHBondContact O-N 3.04Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 3.43Å; Y190-E193 PolarHBondContact O-N 2.85Å; Y190-K194 HydrophobicContact CE2-CB 4.41Å; Y190-K194 HydrophobicContact CE2-CD 4.25Å; Y190-K194 VanDerWaalsContact O-CB 3.24Å; Y190-K194 WeakPolarHBondContact O-CB 3.5Å; Y190-K194 PolarHBondContact O-N 2.84Å; Y190-K194 PolarHBondContact OH-NZ 2.71Å; Y190-P215 HydrophobicContact CD2-CB 4.16Å; Y190-P215 HydrophobicContact CE2-CB 4.01Å; Y190-V216 WeakPolarHBondContact CD2-O 3.4Å; Y190-V216 VanDerWaalsContact CG-O 3.27Å; Y190-K217 HydrophobicContact CE1-CB 4.47Å; Y190-K217 HydrophobicContact CE2-CB 4.43Å; Y190-K217 HydrophobicContact CE2-CG 3.92Å
191	Q	90.4	Very high	88.5	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-39.3	177.2	-74.7	173.2	-19.9	0	0	112.3	R187 K188 K189 H195	R187-Q191 VanDerWaalsContact O-CG 3.26Å; R187-Q191 WeakPolarHBondContact O-CG 3.35Å; R187-Q191 PolarHBondContact O-N 3.3Å; K188-Q191 WeakPolarHBondContact O-CB 3.38Å; K188-Q191 PolarHBondContact O-N 2.89Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.78Å; Q191-H195 WeakPolarHBondContact O-CB 3.27Å; Q191-H195 PolarHBondContact O-N 3.46Å; Q191-H195 VanDerWaalsContact O-N 3.1Å
192	Q	89	Confident	87.3	Confident	87 Å²	87	72.6 Å²	72.6	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-52.6	176.7	-71.7	163.9	-16.7	0	0	111.2	S57 K188 K189 Y190 K194 H195 E196	S57-Q192 PolarHBondContact O-NE2 3.14Å; K188-Q192 WeakPolarHBondContact O-CG 3.45Å; K188-Q192 PolarHBondContact O-N 3.44Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 2.9Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 3.43Å; Q192-K194 VanDerWaalsContact C-N 3.27Å; Q192-K194 PolarHBondContact O-N 2.88Å; Q192-H195 WeakPolarHBondContact O-CB 3.36Å; Q192-H195 PolarHBondContact O-N 2.84Å; Q192-E196 WeakPolarHBondContact O-CG 3.46Å; Q192-E196 PolarHBondContact O-N 2.65Å
193	E	87.3	Confident	85.6	Confident	69 Å²	69	78.7 Å²	78.7	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-40.9	178.7	-70.3	173.3	178.2	0	0	111.7	K189 Y190 H195 E196 Q197	K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.45Å; K189-E193 PolarHBondContact O-N 3.29Å; Y190-E193 PolarHBondContact O-N 2.85Å; E193-H195 PolarHBondContact O-N 2.9Å; E193-E196 PolarHBondContact O-N 3.14Å; E193-Q197 WeakPolarHBondContact O-CB 3.34Å; E193-Q197 VanDerWaalsContact O-CG 3.28Å; E193-Q197 WeakPolarHBondContact O-CG 3.45Å; E193-Q197 PolarHBondContact O-N 3.33Å
194	K	86	Confident	83.4	Confident	76 Å²	76	84.1 Å²	84.1	33%	0.33	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-37.6	176.3	-176.4	176	-176.1	171.5	0	112.8	Y190 Q192 R198	Y190-K194 HydrophobicContact CE2-CB 4.41Å; Y190-K194 HydrophobicContact CE2-CD 4.25Å; Y190-K194 VanDerWaalsContact O-CB 3.24Å; Y190-K194 WeakPolarHBondContact O-CB 3.5Å; Y190-K194 PolarHBondContact O-N 2.84Å; Y190-K194 PolarHBondContact OH-NZ 2.71Å; Q192-K194 VanDerWaalsContact C-N 3.27Å; Q192-K194 PolarHBondContact O-N 2.88Å; K194-R198 WeakPolarHBondContact O-CG 3.39Å; K194-R198 PolarHBondContact O-N 3.12Å
195	H	85.4	Confident	81.1	Confident	116 Å²	116	92.3 Å²	92.3	54%	0.537	44%	0.44	S	S	.	.	H	α-helix	trans	-69.8	-42.7	177.3	-176.8	-88.4	0	0	0	111.2	Q191 Q192 E193 R198 N199	Q191-H195 WeakPolarHBondContact O-CB 3.27Å; Q191-H195 PolarHBondContact O-N 3.46Å; Q191-H195 VanDerWaalsContact O-N 3.1Å; Q192-H195 WeakPolarHBondContact O-CB 3.36Å; Q192-H195 PolarHBondContact O-N 2.84Å; E193-H195 PolarHBondContact O-N 2.9Å; H195-R198 PolarHBondContact O-N 3.43Å; H195-N199 PolarHBondContact CE1-ND2 3.49Å; H195-N199 PolarHBondContact ND1-ND2 2.86Å; H195-N199 PolarHBondContact O-N 2.86Å
196	E	85.4	Confident	78.7	Confident	117 Å²	117	99 Å²	99	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-45.2	175.2	-70.8	172.6	-175.5	0	0	112	Q192 E193 R198 N199 L200	Q192-E196 WeakPolarHBondContact O-CG 3.46Å; Q192-E196 PolarHBondContact O-N 2.65Å; E193-E196 PolarHBondContact O-N 3.14Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.49Å; E196-N199 PolarHBondContact O-N 3.01Å; E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.94Å
197	Q	81.1	Confident	76.2	Confident	76 Å²	76	110.4 Å²	110.4	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-60.2	-40.3	176.2	-74.4	174.1	5.8	0	0	112.7	E193 L200 Q201	E193-Q197 WeakPolarHBondContact O-CB 3.34Å; E193-Q197 VanDerWaalsContact O-CG 3.28Å; E193-Q197 WeakPolarHBondContact O-CG 3.45Å; E193-Q197 PolarHBondContact O-N 3.33Å; Q197-L200 PolarHBondContact O-N 3.29Å; Q197-Q201 WeakPolarHBondContact O-CB 3.45Å; Q197-Q201 VanDerWaalsContact O-CG 3.29Å; Q197-Q201 WeakPolarHBondContact O-CG 3.45Å; Q197-Q201 PolarHBondContact O-N 3.43Å
198	R	80.3	Confident	73.6	Confident	152 Å²	152	112.2 Å²	112.2	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-65.9	-38.9	176.5	-75.4	173.9	175.8	-174.9	-5.7	112.4	K194 H195 E196 Q201 S202	K194-R198 WeakPolarHBondContact O-CG 3.39Å; K194-R198 PolarHBondContact O-N 3.12Å; H195-R198 PolarHBondContact O-N 3.43Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.49Å; R198-Q201 PolarHBondContact O-N 3.19Å; R198-S202 PolarHBondContact O-N 3.36Å; R198-S202 VanDerWaalsContact O-N 3.09Å; R198-S202 PolarHBondContact O-OG 2.97Å
199	N	81.3	Confident	71	Confident	66 Å²	66	115.5 Å²	115.5	35%	0.353	56%	0.558	S	S	.	*	H	α-helix	trans	-70	-36.7	177.2	-70.7	-12.9	0	0	0	112.3	H195 E196 S202 Q203	H195-N199 PolarHBondContact CE1-ND2 3.49Å; H195-N199 PolarHBondContact ND1-ND2 2.86Å; H195-N199 PolarHBondContact O-N 2.86Å; E196-N199 PolarHBondContact O-N 3.01Å; N199-S202 PolarHBondContact O-N 2.72Å; N199-S202 PolarHBondContact O-OG 2.73Å; N199-Q203 WeakPolarHBondContact O-CB 3.45Å; N199-Q203 WeakPolarHBondContact O-CG 3.28Å; N199-Q203 PolarHBondContact O-N 3.3Å
200	L	77	Confident	68.4	Low	87 Å²	87	114.2 Å²	114.2	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-66.6	-42.4	174.1	-73.2	165.5	0	0	0	111.3	E196 Q197 S202 Q203 Q204	E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.94Å; Q197-L200 PolarHBondContact O-N 3.29Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 2.94Å; L200-Q203 PolarHBondContact O-N 2.97Å; L200-Q203 VanDerWaalsContact O-N 3.14Å; L200-Q204 PolarHBondContact O-N 2.96Å
201	Q	72.5	Confident	66	Low	148 Å²	148	122.4 Å²	122.4	69%	0.692	60%	0.601	S	S	*	*	H	α-helix	trans	-65	-32	177	-75.2	174.7	-3.9	0	0	113.2	Q197 R198 Q203	Q197-Q201 WeakPolarHBondContact O-CB 3.45Å; Q197-Q201 VanDerWaalsContact O-CG 3.29Å; Q197-Q201 WeakPolarHBondContact O-CG 3.45Å; Q197-Q201 PolarHBondContact O-N 3.43Å; R198-Q201 PolarHBondContact O-N 3.19Å; Q201-Q203 VanDerWaalsContact C-N 3.34Å
202	S	69.8	Low	63.9	Low	94 Å²	94	125 Å²	125	66%	0.657	62%	0.616	S	S	*	*	H	α-helix	trans	-77.2	-20.5	174	63.3	0	0	0	0	113.3	R198 N199 L200	R198-S202 PolarHBondContact O-N 3.36Å; R198-S202 VanDerWaalsContact O-N 3.09Å; R198-S202 PolarHBondContact O-OG 2.97Å; N199-S202 PolarHBondContact O-N 2.72Å; N199-S202 PolarHBondContact O-OG 2.73Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 2.94Å
203	Q	61.8	Low	62.1	Low	149 Å²	149	125.5 Å²	125.5	70%	0.696	63%	0.628	S	S	*	*	H	α-helix	trans	-99.4	-23.9	-177.5	-71.1	177.9	7.4	0	0	114.1	N199 L200 Q201	N199-Q203 WeakPolarHBondContact O-CB 3.45Å; N199-Q203 WeakPolarHBondContact O-CG 3.28Å; N199-Q203 PolarHBondContact O-N 3.3Å; L200-Q203 PolarHBondContact O-N 2.97Å; L200-Q203 VanDerWaalsContact O-N 3.14Å; Q201-Q203 VanDerWaalsContact C-N 3.34Å
204	Q	51.3	Low	60.7	Low	115 Å²	115	127.9 Å²	127.9	54%	0.537	63%	0.634	S	S	.	*			trans	-139.3	118.1	-175.3	-71.4	-176	-23.9	0	0	112.8	L200 E206	L200-Q204 PolarHBondContact O-N 2.96Å; Q204-E206 PolarHBondContact O-N 3.36Å
205	N	46.4	Very low	60	Low	178 Å²	178	125.9 Å²	125.9	95%	0.952	63%	0.629	S	S	*	*	S	Bend	trans	-77.3	16	161.1	-114.1	-7	0	0	0	112.4
206	E	45.1	Very low	59.5	Low	165 Å²	165	122.5 Å²	122.5	77%	0.771	62%	0.616	S	S	*	*	S	Bend	trans	-125.8	128.9	-175.2	-71.9	-169.9	165.7	0	0	113.3	Q204 S208	Q204-E206 PolarHBondContact O-N 3.36Å; E206-S208 PolarHBondContact O-N 3.32Å
207	R	41.2	Very low	59.6	Low	255 Å²	255	120.1 Å²	120.1	96%	0.962	61%	0.605	S	S	*	*			trans	-38.7	117.9	-177.6	-69.5	167.9	174.9	178.7	-2.1	113.7
208	S	40.3	Very low	60.1	Low	91 Å²	91	117 Å²	117	64%	0.636	59%	0.59	S	S	*	*			trans	-124.8	127.4	156.6	68.9	0	0	0	0	110.8	E206	E206-S208 PolarHBondContact O-N 3.32Å
209	T	38.1	Very low	60.8	Low	146 Å²	146	110.1 Å²	110.1	90%	0.896	56%	0.564	S	S	*	*			trans	-89.1	98	-178.4	47.7	0	0	0	0	109.4
210	S	36.7	Very low	61.6	Low	91 Å²	91	107 Å²	107	64%	0.636	55%	0.547	S	S	*	.			trans	-87.3	142.5	172.6	64.5	0	0	0	0	111.5
211	K	40.2	Very low	62.6	Low	208 Å²	208	102.9 Å²	102.9	90%	0.904	53%	0.526	S	S	*	.	S	Bend	trans	-79.8	137.7	174.5	-77	175.9	175.2	174.3	0	109.5
212	L	46.5	Very low	63.9	Low	138 Å²	138	95.9 Å²	95.9	72%	0.723	49%	0.493	S	S	*	.	S	Bend	trans	76.1	102.4	-163.6	-71	157.7	0	0	0	112.5	Y214	L212-Y214 VanDerWaalsContact C-N 3.26Å; L212-Y214 PolarHBondContact O-N 3.17Å; L212-Y214 VanDerWaalsContact O-N 3.13Å
213	P	50.2	Low	65.2	Low	99 Å²	99	91.5 Å²	91.5	64%	0.643	46%	0.462	S	S	*	.	S	Bend	trans	-78.7	2.5	-163.1	12.7	-1.7	0	0	0	115.4
214	Y	59.1	Low	66.8	Low	118 Å²	118	84.5 Å²	84.5	46%	0.463	43%	0.43	S	S	.	.	S	Bend	trans	-149.6	130.2	-174.5	-50.5	-79.3	0	0	0	112.5	L212 V216 Y325 H412	L212-Y214 VanDerWaalsContact C-N 3.26Å; L212-Y214 PolarHBondContact O-N 3.17Å; L212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-V216 PolarHBondContact O-N 2.9Å; Y214-Y325 VanDerWaalsContact CB-CD1 3.48Å; Y214-Y325 AromaticContact CD1-CE1 3.65Å; Y214-Y325 HydrophobicContact CD1-CE1 3.65Å; Y214-Y325 HydrophobicContact CD2-CE1 4.23Å; Y214-Y325 HydrophobicContact CG-CD1 4.11Å; Y214-Y325 AromaticContact CG-CE1 3.47Å; Y214-Y325 HydrophobicContact CG-CE1 3.47Å; Y214-Y325 VanDerWaalsContact CG-CE1 3.47Å; Y214-H412 AromaticContact CD2-CE1 3.3Å; Y214-H412 WeakPolarHBondContact CD2-CE1 3.37Å; Y214-H412 AromaticContact CD2-NE2 3.56Å; Y214-H412 AromaticContact CE2-CE1 3.41Å; Y214-H412 VanDerWaalsContact CE2-CE1 3.41Å; Y214-H412 WeakPolarHBondContact CE2-CE1 3.21Å; Y214-H412 AromaticContact CG-CE1 3.83Å; Y214-H412 AromaticContact CG-NE2 3.99Å
215	P	69.6	Low	68.9	Low	34 Å²	34	80 Å²	80	22%	0.221	41%	0.409	C	S	.	.			trans	-71.3	126.4	179.1	28.8	-32.7	0	0	0	110	Y190 K217	Y190-P215 HydrophobicContact CD2-CB 4.16Å; Y190-P215 HydrophobicContact CE2-CB 4.01Å; P215-K217 VanDerWaalsContact O-CG 3.3Å; P215-K217 WeakPolarHBondContact O-CG 3.46Å; P215-K217 PolarHBondContact O-N 3.25Å
216	V	76.4	Confident	71.2	Confident	45 Å²	45	71.7 Å²	71.7	27%	0.273	37%	0.365	S	S	.	.			trans	-68	126.8	174	-175.1	0	0	0	0	108.8	Y190 Y214 F219 Y325 Q327	Y190-V216 WeakPolarHBondContact CD2-O 3.4Å; Y190-V216 VanDerWaalsContact CG-O 3.27Å; Y214-V216 PolarHBondContact O-N 2.9Å; V216-F219 HydrophobicContact CB-CE1 4.08Å; V216-F219 HydrophobicContact CB-CZ 4.34Å; V216-F219 HydrophobicContact CG1-CD1 4.13Å; V216-F219 HydrophobicContact CG1-CE1 3.45Å; V216-F219 VanDerWaalsContact CG1-CE1 3.45Å; V216-F219 HydrophobicContact CG1-CZ 4.02Å; V216-F219 WeakPolarHBondContact O-CZ 3.42Å; V216-Y325 CarbonylContact C-O 3.58Å; V216-Y325 VanDerWaalsContact CA-O 3.31Å; V216-Y325 WeakPolarHBondContact CA-O 3.37Å; V216-Y325 WeakPolarHBondContact CG1-O 3.01Å; V216-Q327 HydrophobicContact CG1-CB 4.18Å; V216-Q327 HydrophobicContact CG1-CG 3.86Å
217	K	87.1	Confident	73.4	Confident	68 Å²	68	65 Å²	65	30%	0.296	34%	0.337	S	S	.	.			trans	-110.4	-28.8	-169.9	-53.5	-179.7	-174.2	161.4	0	113.4	Y190 P215 Y325	Y190-K217 HydrophobicContact CE1-CB 4.47Å; Y190-K217 HydrophobicContact CE2-CB 4.43Å; Y190-K217 HydrophobicContact CE2-CG 3.92Å; P215-K217 VanDerWaalsContact O-CG 3.3Å; P215-K217 WeakPolarHBondContact O-CG 3.46Å; P215-K217 PolarHBondContact O-N 3.25Å; K217-Y325 PolarHBondContact N-O 2.91Å
218	H	91.3	Very high	75.6	Confident	11 Å²	11	54.1 Å²	54.1	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140	-170.7	-47.6	-58.4	0	0	0	111	D296 H299 Y300 C324 Y325 G326 Q327	H218-D296 IonicContact CE1-OD1 2.77Å; H218-D296 IonicContact ND1-OD1 3.63Å; H218-D296 PolarHBondContact ND1-OD1 2.82Å; H218-H299 AromaticContact CE1-CD2 3.73Å; H218-Y300 HydrophobicContact CB-CD1 4.19Å; H218-Y300 HydrophobicContact CB-CE1 4.22Å; H218-Y300 AromaticContact CG-CD1 3.89Å; H218-C324 PolarHBondContact CD2-O 3.11Å; H218-C324 VanDerWaalsContact CD2-O 3.25Å; H218-Y325 PolarHBondContact N-O 3.3Å; H218-G326 CarbonylContact O-C 3.6Å; H218-G326 WeakPolarHBondContact O-CA 3.38Å; H218-Q327 PolarHBondContact O-N 2.73Å
219	F	96	Very high	77.7	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.2	-170.5	-54.5	-72.2	0	0	0	110.1	L183 L186 R187 V216 Q327	L183-F219 HydrophobicContact CD1-CB 3.7Å; L183-F219 WeakPolarHBondContact CD1-O 3.31Å; L186-F219 HydrophobicContact CB-CB 4.28Å; L186-F219 HydrophobicContact CB-CD1 3.59Å; L186-F219 HydrophobicContact CB-CD2 3.99Å; L186-F219 HydrophobicContact CB-CE1 3.83Å; L186-F219 HydrophobicContact CB-CE2 4.23Å; L186-F219 HydrophobicContact CB-CG 3.66Å; L186-F219 HydrophobicContact CB-CZ 4.15Å; L186-F219 HydrophobicContact CD1-CB 4.02Å; L186-F219 HydrophobicContact CD1-CD1 3.76Å; L186-F219 HydrophobicContact CD1-CG 4.06Å; L186-F219 HydrophobicContact CD2-CD1 4.37Å; L186-F219 HydrophobicContact CD2-CE1 4.39Å; L186-F219 HydrophobicContact CG-CD1 4.11Å; L186-F219 HydrophobicContact CG-CE1 4.48Å; L186-F219 HydrophobicContact CG-CG 4.47Å; R187-F219 HydrophobicContact CB-CD2 4.44Å; R187-F219 HydrophobicContact CB-CE2 4.48Å; V216-F219 HydrophobicContact CB-CE1 4.08Å; V216-F219 HydrophobicContact CB-CZ 4.34Å; V216-F219 HydrophobicContact CG1-CD1 4.13Å; V216-F219 HydrophobicContact CG1-CE1 3.45Å; V216-F219 VanDerWaalsContact CG1-CE1 3.45Å; V216-F219 HydrophobicContact CG1-CZ 4.02Å; V216-F219 WeakPolarHBondContact O-CZ 3.42Å; F219-Q327 HydrophobicContact CD1-CG 3.64Å; F219-Q327 HydrophobicContact CE1-CG 4.04Å
220	I	97.7	Very high	79.9	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.8	166.4	-58.7	178.7	0	0	0	107.5	L285 F290 V292 L317 T321 Q327 I328 E329	I220-L285 HydrophobicContact CD1-CD1 3.82Å; I220-L285 HydrophobicContact CG2-CD1 3.88Å; I220-L285 HydrophobicContact CG2-CD2 3.87Å; I220-L285 HydrophobicContact CG2-CG 4.48Å; I220-F290 HydrophobicContact CG2-CB 3.69Å; I220-F290 HydrophobicContact CG2-CD2 3.61Å; I220-F290 HydrophobicContact CG2-CE2 4.49Å; I220-F290 HydrophobicContact CG2-CG 3.88Å; I220-V292 HydrophobicContact CG1-CB 4.39Å; I220-V292 HydrophobicContact CG1-CG2 4.04Å; I220-L317 HydrophobicContact CD1-CD1 4.01Å; I220-L317 HydrophobicContact CD1-CD2 4.07Å; I220-L317 HydrophobicContact CD1-CG 3.94Å; I220-T321 HydrophobicContact CD1-CG2 4.15Å; I220-T321 VanDerWaalsContact CD1-OG1 3.26Å; I220-T321 WeakPolarHBondContact CD1-OG1 3.47Å; I220-T321 HydrophobicContact CG1-CG2 4.3Å; I220-Q327 PolarHBondContact N-O 2.7Å; I220-I328 HydrophobicContact CB-CG1 4.36Å; I220-I328 WeakPolarHBondContact O-CA 3.18Å; I220-E329 PolarHBondContact O-N 3.46Å
221	V	98.1	Very high	82	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.9	174.6	-64.1	0	0	0	0	109.2	L179 Q182 L183 L186 F290 A291 E329 I331	L179-V221 HydrophobicContact CD1-CB 3.84Å; L179-V221 HydrophobicContact CD1-CG2 3.56Å; L179-V221 HydrophobicContact CG-CG2 3.74Å; L179-V221 WeakPolarHBondContact O-CG2 3.46Å; Q182-V221 HydrophobicContact CB-CG1 4.41Å; Q182-V221 HydrophobicContact CG-CG1 4Å; L183-V221 HydrophobicContact CB-CG2 3.96Å; L183-V221 HydrophobicContact CD1-CG1 4.46Å; L183-V221 HydrophobicContact CD1-CG2 4.29Å; L186-V221 HydrophobicContact CD1-CG1 4.05Å; V221-F290 CarbonylContact O-C 3.58Å; V221-F290 VanDerWaalsContact O-CA 3.24Å; V221-F290 WeakPolarHBondContact O-CA 3.25Å; V221-F290 WeakPolarHBondContact O-CB 3.47Å; V221-A291 HydrophobicContact CG2-CB 3.9Å; V221-A291 PolarHBondContact N-O 2.85Å; V221-A291 VanDerWaalsContact N-O 3.07Å; V221-A291 PolarHBondContact O-N 2.91Å; V221-E329 CarbonylContact C-O 3.5Å; V221-E329 VanDerWaalsContact CA-O 3.26Å; V221-E329 WeakPolarHBondContact CA-O 3.3Å; V221-E329 HydrophobicContact CG1-CB 4.44Å; V221-I331 HydrophobicContact CB-CD1 4.18Å; V221-I331 HydrophobicContact CB-CG1 3.96Å; V221-I331 HydrophobicContact CG1-CD1 4.14Å; V221-I331 HydrophobicContact CG1-CG1 4.44Å
222	S	98.3	Very high	83.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.8	-177.9	-177.6	0	0	0	0	109.7	L289 E329 I330 I331	S222-L289 WeakPolarHBondContact CB-O 3.48Å; S222-L289 PolarHBondContact OG-O 3.17Å; S222-E329 PolarHBondContact N-O 3.34Å; S222-I330 CarbonylContact O-C 3.57Å; S222-I330 WeakPolarHBondContact O-CA 3.35Å; S222-I331 PolarHBondContact O-N 3.08Å
223	P	97.8	Very high	85.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	161.2	171.5	29.2	-36.1	0	0	0	111.1	I225 L289 S334 V336	P223-I225 WeakPolarHBondContact O-CG1 3.36Å; P223-I225 PolarHBondContact O-N 2.84Å; P223-L289 HydrophobicContact CG-CB 3.8Å; P223-L289 HydrophobicContact CG-CD1 4.28Å; P223-S334 CarbonylContact C-O 3.44Å; P223-S334 VanDerWaalsContact CA-O 3.31Å; P223-S334 WeakPolarHBondContact CA-O 3.31Å; P223-S334 WeakPolarHBondContact CB-O 3.49Å; P223-S334 WeakPolarHBondContact CB-OG 3.37Å; P223-V336 HydrophobicContact CB-CB 4.26Å; P223-V336 HydrophobicContact CB-CG2 3.75Å; P223-V336 HydrophobicContact CG-CB 4.14Å; P223-V336 HydrophobicContact CG-CG2 3.76Å
224	L	95.5	Very high	87	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	117	157.3	-173.7	63.6	0	0	0	109.2	L226 N240 L241 I330 I331 S334 R335 V336	L224-L226 HydrophobicContact CD2-CD2 3.92Å; L224-L226 HydrophobicContact CG-CD2 3.96Å; L224-L226 HydrophobicContact CG-CG 4.33Å; L224-N240 WeakPolarHBondContact CD1-O 3.33Å; L224-L241 HydrophobicContact CD1-CD1 3.94Å; L224-I330 HydrophobicContact CD1-CG2 4.36Å; L224-I331 PolarHBondContact N-O 3.21Å; L224-S334 PolarHBondContact N-O 3.47Å; L224-R335 HydrophobicContact CB-CG 4.39Å; L224-R335 HydrophobicContact CD2-CG 4.42Å; L224-V336 PolarHBondContact O-N 2.7Å
225	I	95.5	Very high	88.1	Confident	20 Å²	20	42 Å²	42	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.6	-179.6	-50	-165.7	0	0	0	108.6	P223 W254 A286 L289 V336 H338 F340	P223-I225 WeakPolarHBondContact O-CG1 3.36Å; P223-I225 PolarHBondContact O-N 2.84Å; I225-W254 HydrophobicContact CB-CH2 3.85Å; I225-W254 HydrophobicContact CB-CZ2 4.29Å; I225-W254 HydrophobicContact CD1-CH2 3.94Å; I225-W254 HydrophobicContact CD1-CZ2 4.44Å; I225-W254 HydrophobicContact CG1-CH2 4.08Å; I225-W254 HydrophobicContact CG2-CH2 4.49Å; I225-W254 HydrophobicContact CG2-CZ2 4.46Å; I225-A286 HydrophobicContact CD1-CB 3.96Å; I225-L289 HydrophobicContact CD1-CB 4.07Å; I225-L289 HydrophobicContact CD1-CD1 3.83Å; I225-L289 HydrophobicContact CD1-CG 3.94Å; I225-L289 HydrophobicContact CG1-CD1 4Å; I225-L289 HydrophobicContact CG2-CD1 4.19Å; I225-V336 WeakPolarHBondContact CA-O 3.37Å; I225-H338 HydrophobicContact CG2-CB 3.61Å; I225-F340 HydrophobicContact CG2-CZ 3.86Å
226	L	93.9	Very high	88.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	156.6	-177.6	-60	170.3	0	0	0	110.2	L172 L224 Y234 N240 R335 V336 G337 H338	L172-L226 HydrophobicContact CD1-CD1 4Å; L224-L226 HydrophobicContact CD2-CD2 3.92Å; L224-L226 HydrophobicContact CG-CD2 3.96Å; L224-L226 HydrophobicContact CG-CG 4.33Å; L226-Y234 HydrophobicContact CB-CD1 3.94Å; L226-Y234 HydrophobicContact CB-CE1 3.69Å; L226-Y234 HydrophobicContact CD1-CD1 3.74Å; L226-Y234 HydrophobicContact CD1-CE1 4.2Å; L226-Y234 HydrophobicContact CD1-CG 3.9Å; L226-Y234 HydrophobicContact CG-CD1 4.41Å; L226-N240 HydrophobicContact CD2-CB 3.7Å; L226-R335 HydrophobicContact CD1-CB 4.03Å; L226-R335 HydrophobicContact CD1-CG 4.37Å; L226-V336 PolarHBondContact N-O 3.5Å; L226-G337 CarbonylContact O-C 3.59Å; L226-G337 WeakPolarHBondContact O-CA 3.27Å; L226-H338 PolarHBondContact O-N 2.77Å
227	S	91.4	Very high	89.3	Confident	26 Å²	26	40.5 Å²	40.5	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.8	174	179.7	0	0	0	0	111.2	L229 Y230 Y234	S227-L229 PolarHBondContact O-N 3.07Å; S227-L229 VanDerWaalsContact O-N 3.07Å; S227-L229 WeakPolarHBondContact OG-CB 3.26Å; S227-L229 PolarHBondContact OG-N 2.99Å; S227-Y230 PolarHBondContact O-N 3.36Å; S227-Y234 WeakPolarHBondContact O-CE1 3.29Å
228	T	87.4	Confident	89.3	Confident	25 Å²	25	40.1 Å²	40.1	15%	0.153	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.1	173	51.1	0	0	0	0	114.2	E170 Y230 K231 Y234 H338 M339	E170-T228 HydrophobicContact CB-CG2 4.41Å; T228-Y230 VanDerWaalsContact C-N 3.34Å; T228-K231 WeakPolarHBondContact O-CG 3.4Å; T228-Y234 WeakPolarHBondContact CA-OH 3.31Å; T228-H338 WeakPolarHBondContact CG2-O 3.32Å; T228-H338 PolarHBondContact N-O 3.08Å; T228-H338 PolarHBondContact OG1-O 3.3Å; T228-M339 HydrophobicContact CG2-CG 4.02Å; T228-M339 WeakPolarHBondContact OG1-CA 3.12Å; T228-M339 WeakPolarHBondContact OG1-CG 3.42Å
229	L	85.1	Confident	89	Confident	126 Å²	126	43.8 Å²	43.8	66%	0.66	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.2	174.7	-62.6	173.7	0	0	0	112.7	S227	S227-L229 PolarHBondContact O-N 3.07Å; S227-L229 VanDerWaalsContact O-N 3.07Å; S227-L229 WeakPolarHBondContact OG-CB 3.26Å; S227-L229 PolarHBondContact OG-N 2.99Å
230	Y	84	Confident	88.7	Confident	143 Å²	143	45 Å²	45	56%	0.561	23%	0.233	S	C	*	.			trans	-122.1	58.3	-173.2	-54.4	-66.4	0	0	0	110.9	S227 T228 S232 D233	S227-Y230 PolarHBondContact O-N 3.36Å; T228-Y230 VanDerWaalsContact C-N 3.34Å; Y230-S232 PolarHBondContact O-N 3.27Å; Y230-D233 PolarHBondContact O-N 3Å
231	K	80.4	Confident	88.4	Confident	106 Å²	106	45 Å²	45	46%	0.461	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.8	-25	-178.3	-65.7	-164.4	174.8	-162.2	0	114	E170 T228 D233 Y234	E170-K231 IonicContact OE1-NZ 3.8Å; E170-K231 PolarHBondContact OE1-NZ 3.01Å; E170-K231 VanDerWaalsContact OE2-CE 3.25Å; E170-K231 WeakPolarHBondContact OE2-CE 3.23Å; E170-K231 IonicContact OE2-NZ 3.73Å; E170-K231 PolarHBondContact OE2-NZ 2.89Å; T228-K231 WeakPolarHBondContact O-CG 3.4Å; K231-D233 PolarHBondContact O-N 2.83Å; K231-Y234 HydrophobicContact CG-CE1 4.33Å; K231-Y234 HydrophobicContact CG-CE2 4.22Å; K231-Y234 PolarHBondContact O-N 2.95Å
232	S	80.3	Confident	88.2	Confident	103 Å²	103	49.1 Å²	49.1	72%	0.72	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-58.3	-25.7	173.8	51	0	0	0	0	112.9	Y230	Y230-S232 PolarHBondContact O-N 3.27Å
233	D	78.3	Confident	88	Confident	59 Å²	59	49 Å²	49	32%	0.316	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-98.5	0.6	-169.3	-54.2	-11.2	0	0	0	111.7	Y230 K231 D235 N236 N240	Y230-D233 PolarHBondContact O-N 3Å; K231-D233 PolarHBondContact O-N 2.83Å; D233-D235 PolarHBondContact O-N 3.03Å; D233-D235 VanDerWaalsContact O-N 3.09Å; D233-N236 PolarHBondContact O-N 3.37Å; D233-N240 PolarHBondContact O-ND2 2.85Å; D233-N240 VanDerWaalsContact O-ND2 3.16Å
234	Y	83.5	Confident	87.9	Confident	15 Å²	15	49 Å²	49	6%	0.059	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.2	-177.2	-80.6	12.2	0	0	0	112.4	L172 L226 S227 T228 K231 R335 G337	L172-Y234 HydrophobicContact CD1-CD2 3.63Å; L172-Y234 HydrophobicContact CD1-CE2 3.89Å; L172-Y234 HydrophobicContact CD1-CG 4.28Å; L172-Y234 HydrophobicContact CD2-CD2 3.66Å; L172-Y234 HydrophobicContact CD2-CE2 3.82Å; L172-Y234 HydrophobicContact CG-CD2 4.22Å; L172-Y234 HydrophobicContact CG-CE2 4.25Å; L226-Y234 HydrophobicContact CB-CD1 3.94Å; L226-Y234 HydrophobicContact CB-CE1 3.69Å; L226-Y234 HydrophobicContact CD1-CD1 3.74Å; L226-Y234 HydrophobicContact CD1-CE1 4.2Å; L226-Y234 HydrophobicContact CD1-CG 3.9Å; L226-Y234 HydrophobicContact CG-CD1 4.41Å; S227-Y234 WeakPolarHBondContact O-CE1 3.29Å; T228-Y234 WeakPolarHBondContact CA-OH 3.31Å; K231-Y234 HydrophobicContact CG-CE1 4.33Å; K231-Y234 HydrophobicContact CG-CE2 4.22Å; K231-Y234 PolarHBondContact O-N 2.95Å; Y234-R335 PolarHBondContact O-NH1 2.95Å; Y234-G337 WeakPolarHBondContact OH-CA 3.22Å
235	D	83	Confident	87.9	Confident	86 Å²	86	48.9 Å²	48.9	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.5	179.5	-62.9	-23.5	0	0	0	113.4	Q40 F41 D233 I237 R335	Q40-D235 CarbonylContact C-O 3.44Å; Q40-D235 WeakPolarHBondContact CA-O 3.18Å; Q40-D235 WeakPolarHBondContact CB-O 3.48Å; F41-D235 HydrophobicContact CB-CB 4.28Å; F41-D235 PolarHBondContact N-O 3.37Å; D233-D235 PolarHBondContact O-N 3.03Å; D233-D235 VanDerWaalsContact O-N 3.09Å; D235-I237 PolarHBondContact O-N 2.82Å; D235-R335 IonicContact OD1-CZ 2.88Å; D235-R335 IonicContact OD1-NH1 3.96Å; D235-R335 PolarHBondContact OD1-NH1 2.81Å; D235-R335 IonicContact OD1-NH2 3.03Å
236	N	86.1	Confident	88	Confident	45 Å²	45	48 Å²	48	24%	0.241	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-94.7	86.2	177.2	-170.8	-11.3	0	0	0	110.7	D233 E238 D239 N240	D233-N236 PolarHBondContact O-N 3.37Å; N236-E238 PolarHBondContact OD1-N 3.29Å; N236-D239 PolarHBondContact ND2-OD2 2.83Å; N236-D239 PolarHBondContact OD1-N 3.06Å; N236-D239 VanDerWaalsContact OD1-N 3.17Å; N236-N240 WeakPolarHBondContact O-CB 3.45Å; N236-N240 PolarHBondContact O-N 3.37Å; N236-N240 PolarHBondContact O-ND2 3.42Å
237	I	85.2	Confident	88.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-40.5	178.8	-64.4	175.5	0	0	0	110.8	F41 D235 D239 N240 L241 L276 I277 P332	F41-I237 HydrophobicContact CB-CD1 3.97Å; F41-I237 HydrophobicContact CB-CG1 4.13Å; F41-I237 HydrophobicContact CD2-CD1 4.19Å; D235-I237 PolarHBondContact O-N 2.82Å; I237-D239 VanDerWaalsContact C-N 3.33Å; I237-D239 PolarHBondContact O-N 3.4Å; I237-N240 CarbonylContact O-C 3.44Å; I237-N240 PolarHBondContact O-N 2.84Å; I237-L241 HydrophobicContact CG2-CB 4.38Å; I237-L241 VanDerWaalsContact O-CB 3.27Å; I237-L241 WeakPolarHBondContact O-CB 3.39Å; I237-L241 PolarHBondContact O-N 2.69Å; I237-L276 HydrophobicContact CG2-CB 4.27Å; I237-I277 HydrophobicContact CD1-CG2 3.84Å; I237-P332 HydrophobicContact CG2-CB 4.25Å
238	E	85.7	Confident	88.4	Confident	60 Å²	60	47.1 Å²	47.1	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-53.8	-49.3	-177	-179.8	165.1	-145.8	0	0	112.4	K39 N236 N240 H256 L276	K39-E238 HydrophobicContact CB-CB 4.11Å; K39-E238 HydrophobicContact CD-CB 4.38Å; K39-E238 HydrophobicContact CD-CG 4.32Å; K39-E238 WeakPolarHBondContact CD-OE1 3.49Å; K39-E238 WeakPolarHBondContact CD-OE2 3.38Å; K39-E238 VanDerWaalsContact NZ-CD 3.26Å; K39-E238 IonicContact NZ-OE1 3.32Å; K39-E238 PolarHBondContact NZ-OE1 2.86Å; K39-E238 IonicContact NZ-OE2 2.85Å; K39-E238 PolarHBondContact NZ-OE2 3.31Å; K39-E238 VanDerWaalsContact NZ-OE2 3.14Å; K39-E238 PolarHBondContact O-N 2.87Å; N236-E238 PolarHBondContact OD1-N 3.29Å; E238-N240 VanDerWaalsContact C-N 3.35Å; E238-H256 PolarHBondContact O-NE2 2.92Å; E238-L276 HydrophobicContact CB-CD1 3.9Å; E238-L276 HydrophobicContact CG-CD1 4.13Å
239	D	86.3	Confident	88.8	Confident	88 Å²	88	48 Å²	48	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-81.7	-16.7	-175.8	-64.6	-20	0	0	0	112.9	N236 I237 Y242	N236-D239 PolarHBondContact ND2-OD2 2.83Å; N236-D239 PolarHBondContact OD1-N 3.06Å; N236-D239 VanDerWaalsContact OD1-N 3.17Å; I237-D239 VanDerWaalsContact C-N 3.33Å; I237-D239 PolarHBondContact O-N 3.4Å; D239-Y242 WeakPolarHBondContact O-CE2 3.26Å
240	N	89.8	Confident	89.4	Confident	32 Å²	32	42.1 Å²	42.1	17%	0.171	21%	0.21	C	C	.	.	H	α-helix	trans	-109.4	4.2	-176	-68	-80.5	0	0	0	114	L224 L226 D233 N236 I237 E238 Y242	L224-N240 WeakPolarHBondContact CD1-O 3.33Å; L226-N240 HydrophobicContact CD2-CB 3.7Å; D233-N240 PolarHBondContact O-ND2 2.85Å; D233-N240 VanDerWaalsContact O-ND2 3.16Å; N236-N240 WeakPolarHBondContact O-CB 3.45Å; N236-N240 PolarHBondContact O-N 3.37Å; N236-N240 PolarHBondContact O-ND2 3.42Å; I237-N240 CarbonylContact O-C 3.44Å; I237-N240 PolarHBondContact O-N 2.84Å; E238-N240 VanDerWaalsContact C-N 3.35Å; N240-Y242 VanDerWaalsContact C-N 3.35Å; N240-Y242 WeakPolarHBondContact O-CD2 3.24Å; N240-Y242 PolarHBondContact O-N 3.33Å
241	L	90.7	Very high	90	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.			trans	-80.1	84.8	179.3	-172.7	57.2	0	0	0	110.9	L224 I237 I257 L276 Q280 P332	L224-L241 HydrophobicContact CD1-CD1 3.94Å; I237-L241 HydrophobicContact CG2-CB 4.38Å; I237-L241 VanDerWaalsContact O-CB 3.27Å; I237-L241 WeakPolarHBondContact O-CB 3.39Å; I237-L241 PolarHBondContact O-N 2.69Å; L241-I257 HydrophobicContact CB-CB 4.43Å; L241-I257 HydrophobicContact CB-CG2 4.24Å; L241-I257 HydrophobicContact CD2-CB 4.15Å; L241-I257 HydrophobicContact CD2-CG1 4.1Å; L241-I257 HydrophobicContact CD2-CG2 4.19Å; L241-I257 HydrophobicContact CG-CB 4.07Å; L241-I257 HydrophobicContact CG-CG1 4.45Å; L241-I257 HydrophobicContact CG-CG2 4.31Å; L241-I257 WeakPolarHBondContact O-CB 3.48Å; L241-I257 PolarHBondContact O-N 3.22Å; L241-L276 HydrophobicContact CD2-CB 4.39Å; L241-L276 HydrophobicContact CD2-CD2 3.79Å; L241-Q280 HydrophobicContact CD1-CG 4.18Å; L241-Q280 HydrophobicContact CD2-CG 4.06Å; L241-P332 HydrophobicContact CD1-CG 3.97Å
242	Y	93.1	Very high	90.7	Very high	87 Å²	87	36.3 Å²	36.3	34%	0.341	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.4	174.4	-67.7	-92.8	0	0	0	111.8	D239 N240 W254 H255 H256	D239-Y242 WeakPolarHBondContact O-CE2 3.26Å; N240-Y242 VanDerWaalsContact C-N 3.35Å; N240-Y242 WeakPolarHBondContact O-CD2 3.24Å; N240-Y242 PolarHBondContact O-N 3.33Å; Y242-W254 HydrophobicContact CD1-CB 3.87Å; Y242-W254 HydrophobicContact CG-CB 4.25Å; Y242-H255 CarbonylContact C-O 3.58Å; Y242-H255 WeakPolarHBondContact CA-O 3.18Å; Y242-H256 HydrophobicContact CD1-CB 4.04Å; Y242-H256 VanDerWaalsContact CD1-N 3.31Å; Y242-H256 HydrophobicContact CE1-CB 3.72Å; Y242-H256 AromaticContact CZ-CD2 3.88Å
243	L	94.5	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.5	170.3	-53.9	-178.7	0	0	0	109.5	H255 I257 V261 T262 Q280 K281 I330	L243-H255 PolarHBondContact N-O 3.28Å; L243-H255 PolarHBondContact O-N 2.96Å; L243-I257 HydrophobicContact CD1-CD1 3.47Å; L243-I257 VanDerWaalsContact CD1-CD1 3.47Å; L243-I257 HydrophobicContact CD2-CD1 4.41Å; L243-I257 HydrophobicContact CG-CD1 4Å; L243-V261 HydrophobicContact CB-CG1 3.83Å; L243-V261 HydrophobicContact CD1-CG1 3.72Å; L243-V261 HydrophobicContact CG-CG1 4.22Å; L243-T262 HydrophobicContact CD1-CG2 4.22Å; L243-Q280 HydrophobicContact CD2-CB 3.65Å; L243-K281 WeakPolarHBondContact CD1-O 3.49Å; L243-I330 HydrophobicContact CD2-CB 4.25Å; L243-I330 HydrophobicContact CD2-CG1 3.85Å
244	G	95.8	Very high	92.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.7	179.5	0	0	0	0	0	112.5	S282 P283 A284	G244-S282 WeakPolarHBondContact CA-OG 3.33Å; G244-S282 PolarHBondContact N-OG 2.83Å; G244-S282 PolarHBondContact O-OG 3.4Å; G244-P283 VanDerWaalsContact O-CD 3.26Å; G244-P283 WeakPolarHBondContact O-CD 3.4Å; G244-A284 WeakPolarHBondContact CA-O 3.34Å; G244-A284 PolarHBondContact O-N 3.27Å
245	G	96.3	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	-169.3	167.4	0	0	0	0	0	110.4	F252 R253 Y422	G245-F252 WeakPolarHBondContact O-CA 3.44Å; G245-F252 WeakPolarHBondContact O-CD2 3.27Å; G245-R253 PolarHBondContact N-O 2.88Å; G245-R253 PolarHBondContact O-N 2.7Å; G245-Y422 WeakPolarHBondContact CA-OH 3.43Å
246	F	97.7	Very high	93.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.2	174	59	-81	0	0	0	110.3	I251 A284 I315 L319 Y417 Y422 L425	F246-I251 CarbonylContact C-O 3.5Å; F246-I251 WeakPolarHBondContact CA-O 3.49Å; F246-I251 WeakPolarHBondContact CB-O 3.22Å; F246-A284 HydrophobicContact CD1-CB 3.97Å; F246-A284 HydrophobicContact CE1-CB 4.45Å; F246-I315 HydrophobicContact CB-CD1 3.66Å; F246-I315 HydrophobicContact CB-CG1 4.32Å; F246-I315 HydrophobicContact CD1-CD1 3.86Å; F246-I315 HydrophobicContact CD1-CG2 4.02Å; F246-I315 HydrophobicContact CD2-CG2 3.93Å; F246-I315 HydrophobicContact CE1-CG2 4.05Å; F246-I315 HydrophobicContact CE2-CG2 3.99Å; F246-I315 HydrophobicContact CG-CD1 3.86Å; F246-I315 HydrophobicContact CG-CG1 4.4Å; F246-I315 HydrophobicContact CG-CG2 3.98Å; F246-I315 HydrophobicContact CZ-CG2 4.06Å; F246-L319 HydrophobicContact CZ-CD2 3.96Å; F246-L319 HydrophobicContact CZ-CG 4.43Å; F246-Y417 HydrophobicContact CE1-CE1 4.31Å; F246-Y417 WeakPolarHBondContact CE1-OH 3.45Å; F246-Y417 HydrophobicContact CZ-CE1 4.14Å; F246-Y422 HydrophobicContact CD1-CD1 4.3Å; F246-Y422 AromaticContact CD1-CE1 3.88Å; F246-Y422 HydrophobicContact CD1-CE1 3.88Å; F246-Y422 AromaticContact CE1-CD1 3.9Å; F246-Y422 HydrophobicContact CE1-CD1 3.9Å; F246-Y422 AromaticContact CE1-CE1 3.95Å; F246-Y422 HydrophobicContact CE1-CE1 3.95Å; F246-Y422 HydrophobicContact CG-CE1 4.36Å; F246-Y422 HydrophobicContact CZ-CD1 4.3Å; F246-Y422 HydrophobicContact CZ-CE1 4.46Å; F246-Y422 PolarHBondContact N-OH 2.94Å; F246-Y422 VanDerWaalsContact N-OH 3.14Å; F246-Y422 WeakPolarHBondContact O-CE1 3.12Å; F246-Y422 PolarHBondContact O-OH 3.04Å; F246-L425 HydrophobicContact CD2-CD2 4.32Å; F246-L425 HydrophobicContact CE2-CD2 3.62Å; F246-L425 HydrophobicContact CZ-CD2 3.72Å
247	S	96.7	Very high	93.2	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.049	15%	0.153	C	C	.	.			trans	-91.7	172.1	171.3	25	0	0	0	0	113.9	D249 L250 I251 R253	S247-D249 WeakPolarHBondContact CB-OD1 3.34Å; S247-D249 PolarHBondContact O-N 3.48Å; S247-D249 PolarHBondContact OG-OD1 2.77Å; S247-L250 WeakPolarHBondContact O-CA 3.29Å; S247-L250 PolarHBondContact O-N 2.92Å; S247-I251 PolarHBondContact N-O 2.75Å; S247-I251 PolarHBondContact OG-O 3.45Å; S247-R253 PolarHBondContact OG-NE 3.19Å; S247-R253 VanDerWaalsContact OG-NE 3.08Å; S247-R253 PolarHBondContact OG-NH2 3.24Å
248	W	96.4	Very high	93.2	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.9	175.2	-78	98.9	0	0	0	115.4	F368 Y380 Y383 F384 V387 F414 L418 L425 A429 I432	W248-F368 AromaticContact CE3-CE2 3.79Å; W248-F368 HydrophobicContact CE3-CE2 3.79Å; W248-F368 HydrophobicContact CE3-CZ 4.35Å; W248-F368 HydrophobicContact CZ3-CD2 4.17Å; W248-F368 AromaticContact CZ3-CE2 3.69Å; W248-F368 HydrophobicContact CZ3-CE2 3.69Å; W248-F368 HydrophobicContact CZ3-CZ 4.26Å; W248-Y380 AromaticContact CH2-CD1 3.72Å; W248-Y380 HydrophobicContact CH2-CD1 3.72Å; W248-Y380 HydrophobicContact CH2-CE1 4.42Å; W248-Y380 HydrophobicContact CH2-CG 4.32Å; W248-Y380 HydrophobicContact CZ3-CD1 4.25Å; W248-Y380 HydrophobicContact CZ3-CG 4.5Å; W248-Y383 HydrophobicContact CE3-CD2 4.41Å; W248-Y383 HydrophobicContact CE3-CG 4.44Å; W248-Y383 AromaticContact CH2-CD2 3.98Å; W248-Y383 HydrophobicContact CH2-CD2 3.98Å; W248-Y383 HydrophobicContact CZ2-CD2 4.2Å; W248-Y383 HydrophobicContact CZ3-CD2 4.09Å; W248-F384 WeakPolarHBondContact O-CA 3.2Å; W248-F384 VanDerWaalsContact O-CD2 3.26Å; W248-F384 WeakPolarHBondContact O-CD2 3.4Å; W248-V387 HydrophobicContact CB-CG2 3.89Å; W248-F414 AromaticContact CH2-CE1 3.83Å; W248-F414 HydrophobicContact CH2-CE1 3.83Å; W248-F414 HydrophobicContact CH2-CZ 4.35Å; W248-F414 AromaticContact CZ3-CE1 3.94Å; W248-F414 HydrophobicContact CZ3-CE1 3.94Å; W248-F414 HydrophobicContact CZ3-CZ 4.42Å; W248-L418 HydrophobicContact CH2-CD1 4.01Å; W248-L418 HydrophobicContact CZ2-CD1 4.31Å; W248-L418 HydrophobicContact CZ2-CD2 4.39Å; W248-L425 HydrophobicContact CD2-CD1 4.25Å; W248-L425 HydrophobicContact CG-CD1 4.02Å; W248-L425 HydrophobicContact CZ2-CG 4.18Å; W248-L425 PolarHBondContact NE1-O 2.91Å; W248-A429 HydrophobicContact CZ2-CB 3.64Å; W248-I432 HydrophobicContact CB-CD1 3.87Å; W248-I432 HydrophobicContact CD2-CD1 4.46Å; W248-I432 HydrophobicContact CG-CD1 3.67Å
249	D	95.9	Very high	93.2	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.23	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7.4	171.2	63	-7.9	0	0	0	113.4	S247 I251 H360 V387	S247-D249 WeakPolarHBondContact CB-OD1 3.34Å; S247-D249 PolarHBondContact O-N 3.48Å; S247-D249 PolarHBondContact OG-OD1 2.77Å; D249-I251 VanDerWaalsContact C-N 3.25Å; D249-I251 VanDerWaalsContact CG-CG1 3.46Å; D249-I251 PolarHBondContact O-N 2.76Å; D249-I251 WeakPolarHBondContact OD1-CB 3.47Å; D249-I251 WeakPolarHBondContact OD1-CG1 3.42Å; D249-I251 PolarHBondContact OD1-N 2.73Å; D249-I251 VanDerWaalsContact OD2-CG1 3.27Å; D249-I251 WeakPolarHBondContact OD2-CG1 3.34Å; D249-H360 PolarHBondContact O-CE1 3.26Å; D249-H360 PolarHBondContact O-ND1 2.65Å; D249-V387 HydrophobicContact CB-CB 4.44Å; D249-V387 HydrophobicContact CB-CG2 3.72Å
250	L	97.6	Very high	92.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.197	C	C	.	.			trans	66	18.1	-178.4	-76	66.5	0	0	0	114.7	S247 F252 I315 H360 T363 V364 F368 F384	S247-L250 WeakPolarHBondContact O-CA 3.29Å; S247-L250 PolarHBondContact O-N 2.92Å; L250-F252 PolarHBondContact O-N 3.05Å; L250-I315 HydrophobicContact CD2-CG2 4.26Å; L250-I315 HydrophobicContact CG-CG2 4.1Å; L250-H360 HydrophobicContact CB-CB 4.21Å; L250-H360 HydrophobicContact CD2-CB 4.1Å; L250-T363 HydrophobicContact CD2-CG2 3.61Å; L250-V364 HydrophobicContact CD1-CG1 3.46Å; L250-V364 VanDerWaalsContact CD1-CG1 3.46Å; L250-V364 HydrophobicContact CD2-CG1 3.82Å; L250-V364 HydrophobicContact CG-CG1 4.31Å; L250-F368 HydrophobicContact CD1-CE2 4.23Å; L250-F368 HydrophobicContact CD1-CZ 3.81Å; L250-F384 HydrophobicContact CD1-CD2 3.72Å; L250-F384 HydrophobicContact CD1-CE2 3.99Å
251	I	96.2	Very high	92.6	Very high	81 Å²	81	37.8 Å²	37.8	42%	0.415	19%	0.189	S	C	.	.			trans	-75.5	122.3	171	-59.7	-66.7	0	0	0	109.6	F246 S247 D249	F246-I251 CarbonylContact C-O 3.5Å; F246-I251 WeakPolarHBondContact CA-O 3.49Å; F246-I251 WeakPolarHBondContact CB-O 3.22Å; S247-I251 PolarHBondContact N-O 2.75Å; S247-I251 PolarHBondContact OG-O 3.45Å; D249-I251 VanDerWaalsContact C-N 3.25Å; D249-I251 VanDerWaalsContact CG-CG1 3.46Å; D249-I251 PolarHBondContact O-N 2.76Å; D249-I251 WeakPolarHBondContact OD1-CB 3.47Å; D249-I251 WeakPolarHBondContact OD1-CG1 3.42Å; D249-I251 PolarHBondContact OD1-N 2.73Å; D249-I251 VanDerWaalsContact OD2-CG1 3.27Å; D249-I251 WeakPolarHBondContact OD2-CG1 3.34Å
252	F	96.5	Very high	92.1	Very high	47 Å²	47	38.9 Å²	38.9	21%	0.206	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.9	177.2	179.6	-91.7	0	0	0	111.9	G245 L250 W254 A284 L285 A286 I315	G245-F252 WeakPolarHBondContact O-CA 3.44Å; G245-F252 WeakPolarHBondContact O-CD2 3.27Å; L250-F252 PolarHBondContact O-N 3.05Å; F252-W254 AromaticContact CE1-CD1 3.98Å; F252-W254 AromaticContact CE1-CD2 3.67Å; F252-W254 HydrophobicContact CE1-CD2 3.67Å; F252-W254 AromaticContact CE1-CE2 3.52Å; F252-W254 HydrophobicContact CE1-CE3 4.17Å; F252-W254 HydrophobicContact CE1-CG 4Å; F252-W254 HydrophobicContact CE1-CH2 4.44Å; F252-W254 AromaticContact CE1-CZ2 3.94Å; F252-W254 HydrophobicContact CE1-CZ2 3.94Å; F252-W254 AromaticContact CE1-NE1 3.7Å; F252-W254 HydrophobicContact CZ-CD2 4.04Å; F252-W254 HydrophobicContact CZ-CE3 4.05Å; F252-W254 HydrophobicContact CZ-CH2 4.29Å; F252-W254 HydrophobicContact CZ-CZ2 4.24Å; F252-W254 HydrophobicContact CZ-CZ3 4.2Å; F252-A284 HydrophobicContact CD2-CB 4.47Å; F252-A284 HydrophobicContact CE2-CB 4.3Å; F252-L285 WeakPolarHBondContact CD2-O 3.48Å; F252-L285 VanDerWaalsContact CE2-C 3.43Å; F252-L285 VanDerWaalsContact CE2-O 3.29Å; F252-L285 WeakPolarHBondContact CE2-O 3.12Å; F252-A286 HydrophobicContact CE1-CB 4Å; F252-A286 HydrophobicContact CE2-CB 4.19Å; F252-A286 HydrophobicContact CZ-CB 3.69Å; F252-I315 HydrophobicContact CB-CD1 4.35Å; F252-I315 HydrophobicContact CD2-CD1 4.13Å
253	R	94.8	Very high	91.3	Very high	102 Å²	102	34.8 Å²	34.8	39%	0.385	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.6	179.2	-62.2	177.6	-178.4	-175.3	-7.4	110.7	G245 S247 E428	G245-R253 PolarHBondContact N-O 2.88Å; G245-R253 PolarHBondContact O-N 2.7Å; S247-R253 PolarHBondContact OG-NE 3.19Å; S247-R253 VanDerWaalsContact OG-NE 3.08Å; S247-R253 PolarHBondContact OG-NH2 3.24Å; R253-E428 IonicContact NH1-OE2 3.26Å
254	W	94.5	Very high	89.7	Confident	86 Å²	86	40.2 Å²	40.2	33%	0.326	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.4	169.8	-67.8	108.1	0	0	0	109.2	I225 Y242 F252 A286 F340	I225-W254 HydrophobicContact CB-CH2 3.85Å; I225-W254 HydrophobicContact CB-CZ2 4.29Å; I225-W254 HydrophobicContact CD1-CH2 3.94Å; I225-W254 HydrophobicContact CD1-CZ2 4.44Å; I225-W254 HydrophobicContact CG1-CH2 4.08Å; I225-W254 HydrophobicContact CG2-CH2 4.49Å; I225-W254 HydrophobicContact CG2-CZ2 4.46Å; Y242-W254 HydrophobicContact CD1-CB 3.87Å; Y242-W254 HydrophobicContact CG-CB 4.25Å; F252-W254 AromaticContact CE1-CD1 3.98Å; F252-W254 AromaticContact CE1-CD2 3.67Å; F252-W254 HydrophobicContact CE1-CD2 3.67Å; F252-W254 AromaticContact CE1-CE2 3.52Å; F252-W254 HydrophobicContact CE1-CE3 4.17Å; F252-W254 HydrophobicContact CE1-CG 4Å; F252-W254 HydrophobicContact CE1-CH2 4.44Å; F252-W254 AromaticContact CE1-CZ2 3.94Å; F252-W254 HydrophobicContact CE1-CZ2 3.94Å; F252-W254 AromaticContact CE1-NE1 3.7Å; F252-W254 HydrophobicContact CZ-CD2 4.04Å; F252-W254 HydrophobicContact CZ-CE3 4.05Å; F252-W254 HydrophobicContact CZ-CH2 4.29Å; F252-W254 HydrophobicContact CZ-CZ2 4.24Å; F252-W254 HydrophobicContact CZ-CZ3 4.2Å; W254-A286 HydrophobicContact CH2-CB 3.66Å; W254-A286 HydrophobicContact CZ2-CB 3.69Å; W254-F340 HydrophobicContact CZ2-CZ 4.41Å
255	H	93.8	Very high	87.8	Confident	11 Å²	11	42.8 Å²	42.8	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.5	174	-72.3	-76.4	0	0	0	109.1	Y242 L243 E259 V261 Y422	Y242-H255 CarbonylContact C-O 3.58Å; Y242-H255 WeakPolarHBondContact CA-O 3.18Å; L243-H255 PolarHBondContact N-O 3.28Å; L243-H255 PolarHBondContact O-N 2.96Å; H255-E259 IonicContact CE1-OE2 3.36Å; H255-E259 IonicContact CG-OE2 3.45Å; H255-E259 IonicContact ND1-OE2 2.7Å; H255-E259 PolarHBondContact ND1-OE2 2.93Å; H255-V261 HydrophobicContact CB-CB 3.74Å; H255-V261 HydrophobicContact CB-CG1 3.59Å; H255-V261 HydrophobicContact CB-CG2 3.89Å; H255-Y422 PolarHBondContact NE2-OH 3.12Å; H255-Y422 VanDerWaalsContact NE2-OH 3.11Å
256	H	91.9	Very high	85.9	Confident	27 Å²	27	45.1 Å²	45.1	13%	0.125	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	144.9	172.4	-169.8	-95.9	0	0	0	109.7	E238 Y242 N258 E259	E238-H256 PolarHBondContact O-NE2 2.92Å; Y242-H256 HydrophobicContact CD1-CB 4.04Å; Y242-H256 VanDerWaalsContact CD1-N 3.31Å; Y242-H256 HydrophobicContact CE1-CB 3.72Å; Y242-H256 AromaticContact CZ-CD2 3.88Å; H256-N258 PolarHBondContact CE1-ND2 2.8Å; H256-N258 VanDerWaalsContact CE1-ND2 3.3Å; H256-N258 PolarHBondContact ND1-N 2.9Å; H256-N258 PolarHBondContact O-N 2.88Å; H256-E259 HydrophobicContact CB-CG 4.22Å; H256-E259 WeakPolarHBondContact CB-OE1 3.49Å; H256-E259 PolarHBondContact N-OE1 2.88Å; H256-E259 WeakPolarHBondContact O-CB 3.45Å; H256-E259 PolarHBondContact O-N 3.13Å
257	I	87.1	Confident	83.8	Confident	24 Å²	24	55.2 Å²	55.2	12%	0.123	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-54.1	-27.1	-177.1	-168.2	64	0	0	0	113.5	L241 L243 E259 L276	L241-I257 HydrophobicContact CB-CB 4.43Å; L241-I257 HydrophobicContact CB-CG2 4.24Å; L241-I257 HydrophobicContact CD2-CB 4.15Å; L241-I257 HydrophobicContact CD2-CG1 4.1Å; L241-I257 HydrophobicContact CD2-CG2 4.19Å; L241-I257 HydrophobicContact CG-CB 4.07Å; L241-I257 HydrophobicContact CG-CG1 4.45Å; L241-I257 HydrophobicContact CG-CG2 4.31Å; L241-I257 WeakPolarHBondContact O-CB 3.48Å; L241-I257 PolarHBondContact O-N 3.22Å; L243-I257 HydrophobicContact CD1-CD1 3.47Å; L243-I257 VanDerWaalsContact CD1-CD1 3.47Å; L243-I257 HydrophobicContact CD2-CD1 4.41Å; L243-I257 HydrophobicContact CG-CD1 4Å; I257-E259 VanDerWaalsContact C-N 3.34Å; I257-E259 PolarHBondContact O-N 2.79Å; I257-L276 HydrophobicContact CG2-CD2 4.36Å
258	N	85.5	Confident	82.2	Confident	110 Å²	110	57.9 Å²	57.9	59%	0.588	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-78.2	-10.3	178.5	-66.8	-30.1	0	0	0	114.6	H256 G260	H256-N258 PolarHBondContact CE1-ND2 2.8Å; H256-N258 VanDerWaalsContact CE1-ND2 3.3Å; H256-N258 PolarHBondContact ND1-N 2.9Å; H256-N258 PolarHBondContact O-N 2.88Å; N258-G260 PolarHBondContact O-N 3.2Å
259	E	86.5	Confident	80.7	Confident	99 Å²	99	62.4 Å²	62.4	46%	0.463	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-76.8	-2.6	178.8	-67.4	176.3	-124.3	0	0	113.5	H255 H256 I257 V261	H255-E259 IonicContact CE1-OE2 3.36Å; H255-E259 IonicContact CG-OE2 3.45Å; H255-E259 IonicContact ND1-OE2 2.7Å; H255-E259 PolarHBondContact ND1-OE2 2.93Å; H256-E259 HydrophobicContact CB-CG 4.22Å; H256-E259 WeakPolarHBondContact CB-OE1 3.49Å; H256-E259 PolarHBondContact N-OE1 2.88Å; H256-E259 WeakPolarHBondContact O-CB 3.45Å; H256-E259 PolarHBondContact O-N 3.13Å; I257-E259 VanDerWaalsContact C-N 3.34Å; I257-E259 PolarHBondContact O-N 2.79Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 PolarHBondContact O-N 3.08Å
260	G	80.2	Confident	79.4	Confident	60 Å²	60	67.7 Å²	67.7	62%	0.619	34%	0.337	S	S	*	.	S	Bend	trans	73.9	24.4	176.4	0	0	0	0	0	114.1	N258 T262	N258-G260 PolarHBondContact O-N 3.2Å; G260-T262 VanDerWaalsContact C-N 3.25Å; G260-T262 PolarHBondContact O-N 3.25Å
261	V	83.9	Confident	78.1	Confident	1 Å²	1	73 Å²	73	1%	0.006	37%	0.369	C	S	.	.			trans	-75.7	-10.9	178.8	69.3	0	0	0	0	113.6	L243 H255 E259 P283 Y422	L243-V261 HydrophobicContact CB-CG1 3.83Å; L243-V261 HydrophobicContact CD1-CG1 3.72Å; L243-V261 HydrophobicContact CG-CG1 4.22Å; H255-V261 HydrophobicContact CB-CB 3.74Å; H255-V261 HydrophobicContact CB-CG1 3.59Å; H255-V261 HydrophobicContact CB-CG2 3.89Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 PolarHBondContact O-N 3.08Å; V261-P283 HydrophobicContact CG2-CG 3.86Å; V261-P283 VanDerWaalsContact O-CG 3.27Å; V261-P283 WeakPolarHBondContact O-CG 3.36Å; V261-Y422 HydrophobicContact CG2-CD2 4.17Å; V261-Y422 HydrophobicContact CG2-CE2 3.69Å
262	T	79.5	Confident	77.2	Confident	23 Å²	23	71.5 Å²	71.5	14%	0.141	36%	0.362	C	S	.	.	S	Bend	trans	-69.1	135.2	-171.4	-38.3	0	0	0	0	112	L243 G260 L264 Y268	L243-T262 HydrophobicContact CD1-CG2 4.22Å; G260-T262 VanDerWaalsContact C-N 3.25Å; G260-T262 PolarHBondContact O-N 3.25Å; T262-L264 PolarHBondContact O-N 3.43Å; T262-Y268 HydrophobicContact CG2-CE2 3.4Å; T262-Y268 VanDerWaalsContact CG2-CE2 3.4Å; T262-Y268 WeakPolarHBondContact CG2-OH 3.31Å
263	P	76.3	Confident	76	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.371	C	S	.	.			trans	-51.2	136.9	178.5	-33.3	39.8	0	0	0	113.6	S265 I266 K281 P283 W322 I421	P263-S265 PolarHBondContact O-N 3.12Å; P263-I266 PolarHBondContact O-N 3Å; P263-K281 HydrophobicContact CB-CB 4.48Å; P263-K281 WeakPolarHBondContact CD-O 3.49Å; P263-K281 HydrophobicContact CG-CB 3.98Å; P263-P283 HydrophobicContact CG-CG 4.37Å; P263-W322 HydrophobicContact CG-CH2 4.36Å; P263-W322 HydrophobicContact CG-CZ2 4.13Å; P263-I421 HydrophobicContact CB-CD1 4.18Å; P263-I421 HydrophobicContact CB-CG2 4.43Å; P263-I421 HydrophobicContact CG-CG2 3.95Å
264	L	61.3	Low	75.3	Confident	115 Å²	115	68.5 Å²	68.5	60%	0.602	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.5	-172.5	-69.5	-179.3	0	0	0	114.3	T262 I266 D419 N420 P423	T262-L264 PolarHBondContact O-N 3.43Å; L264-I266 PolarHBondContact O-N 3.07Å; L264-D419 WeakPolarHBondContact CD1-O 3.43Å; L264-N420 PolarHBondContact N-O 3.46Å; L264-P423 HydrophobicContact CD1-CG 3.86Å; L264-P423 HydrophobicContact CD2-CG 4.33Å; L264-P423 HydrophobicContact CG-CG 3.8Å
265	S	55.7	Low	74.7	Confident	54 Å²	54	66.4 Å²	66.4	38%	0.378	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-5.4	175.6	70.1	0	0	0	0	114.5	P263 K281	P263-S265 PolarHBondContact O-N 3.12Å; S265-K281 PolarHBondContact OG-NZ 2.92Å; S265-K281 VanDerWaalsContact OG-NZ 3.12Å
266	I	56.3	Low	74.3	Confident	49 Å²	49	66.2 Å²	66.2	25%	0.251	35%	0.35	S	S	.	.			trans	-127	115.8	-179.5	-52.1	176.7	0	0	0	112.1	P263 L264 Y268 K281	P263-I266 PolarHBondContact O-N 3Å; L264-I266 PolarHBondContact O-N 3.07Å; I266-Y268 HydrophobicContact CB-CD2 4.12Å; I266-Y268 HydrophobicContact CB-CE2 3.62Å; I266-Y268 HydrophobicContact CD1-CE1 4.35Å; I266-Y268 HydrophobicContact CD1-CE2 4.22Å; I266-Y268 VanDerWaalsContact CD1-OH 3.25Å; I266-Y268 WeakPolarHBondContact CD1-OH 3.38Å; I266-Y268 HydrophobicContact CG2-CD1 3.78Å; I266-Y268 HydrophobicContact CG2-CD2 3.52Å; I266-Y268 HydrophobicContact CG2-CE1 3.67Å; I266-Y268 HydrophobicContact CG2-CE2 3.35Å; I266-Y268 HydrophobicContact CG2-CG 3.73Å; I266-Y268 VanDerWaalsContact CG2-CZ 3.47Å; I266-K281 HydrophobicContact CD1-CB 3.97Å; I266-K281 HydrophobicContact CD1-CD 3.37Å; I266-K281 HydrophobicContact CD1-CG 3.59Å; I266-K281 HydrophobicContact CG1-CD 3.92Å
267	K	54.2	Low	74.1	Confident	212 Å²	212	65.1 Å²	65.1	92%	0.922	35%	0.346	S	S	*	.			trans	-87.7	99.7	154.3	-76.5	-176	177.7	-177.7	0	107.7	N269	K267-N269 PolarHBondContact O-N 3.5Å
268	Y	61.6	Low	74.2	Confident	63 Å²	63	68.1 Å²	68.1	25%	0.247	36%	0.356	C	S	.	.			trans	-67.1	129.1	174.8	-68.7	-87.2	0	0	0	109.5	T262 I266 K270 Q280	T262-Y268 HydrophobicContact CG2-CE2 3.4Å; T262-Y268 VanDerWaalsContact CG2-CE2 3.4Å; T262-Y268 WeakPolarHBondContact CG2-OH 3.31Å; I266-Y268 HydrophobicContact CB-CD2 4.12Å; I266-Y268 HydrophobicContact CB-CE2 3.62Å; I266-Y268 HydrophobicContact CD1-CE1 4.35Å; I266-Y268 HydrophobicContact CD1-CE2 4.22Å; I266-Y268 VanDerWaalsContact CD1-OH 3.25Å; I266-Y268 WeakPolarHBondContact CD1-OH 3.38Å; I266-Y268 HydrophobicContact CG2-CD1 3.78Å; I266-Y268 HydrophobicContact CG2-CD2 3.52Å; I266-Y268 HydrophobicContact CG2-CE1 3.67Å; I266-Y268 HydrophobicContact CG2-CE2 3.35Å; I266-Y268 HydrophobicContact CG2-CG 3.73Å; I266-Y268 VanDerWaalsContact CG2-CZ 3.47Å; Y268-K270 PolarHBondContact O-N 3.48Å; Y268-Q280 PolarHBondContact OH-OE1 2.83Å
269	N	64.9	Low	74.5	Confident	102 Å²	102	64.4 Å²	64.4	55%	0.545	34%	0.338	S	S	.	.			trans	-76.5	85.4	166.8	-169.4	9.1	0	0	0	108.8	K267 T271 N272	K267-N269 PolarHBondContact O-N 3.5Å; N269-T271 PolarHBondContact ND2-OG1 3.46Å; N269-T271 PolarHBondContact O-N 3.2Å; N269-T271 WeakPolarHBondContact OD1-CB 3.33Å; N269-T271 VanDerWaalsContact OD1-CG2 3.25Å; N269-T271 WeakPolarHBondContact OD1-CG2 3.49Å; N269-T271 PolarHBondContact OD1-N 3.4Å; N269-T271 PolarHBondContact OD1-OG1 3.39Å; N269-N272 PolarHBondContact O-N 2.98Å
270	K	69.1	Low	74.8	Confident	153 Å²	153	59.9 Å²	59.9	67%	0.665	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-11.6	175	-67.8	-171.3	178	-171.4	0	112.8	Y268 N272	Y268-K270 PolarHBondContact O-N 3.48Å; K270-N272 VanDerWaalsContact C-N 3.26Å; K270-N272 PolarHBondContact O-N 3.2Å
271	T	70.5	Confident	75.4	Confident	113 Å²	113	58.5 Å²	58.5	69%	0.693	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.9	172.2	81.5	0	0	0	0	112.9	N269 P273	N269-T271 PolarHBondContact ND2-OG1 3.46Å; N269-T271 PolarHBondContact O-N 3.2Å; N269-T271 WeakPolarHBondContact OD1-CB 3.33Å; N269-T271 VanDerWaalsContact OD1-CG2 3.25Å; N269-T271 WeakPolarHBondContact OD1-CG2 3.49Å; N269-T271 PolarHBondContact OD1-N 3.4Å; N269-T271 PolarHBondContact OD1-OG1 3.39Å; T271-P273 WeakPolarHBondContact O-CD 3.32Å
272	N	77	Confident	76	Confident	50 Å²	50	58.4 Å²	58.4	27%	0.267	29%	0.293	S	S	.	.	S	Bend	trans	-77.1	117.4	172.7	-172.9	-25.2	0	0	0	108.9	N269 K270 Y274 H275 Y278	N269-N272 PolarHBondContact O-N 2.98Å; K270-N272 VanDerWaalsContact C-N 3.26Å; K270-N272 PolarHBondContact O-N 3.2Å; N272-Y274 PolarHBondContact O-N 3.3Å; N272-Y274 VanDerWaalsContact O-N 3.08Å; N272-Y274 WeakPolarHBondContact OD1-CB 3.14Å; N272-Y274 PolarHBondContact OD1-N 3.1Å; N272-H275 WeakPolarHBondContact O-CB 3.5Å; N272-H275 PolarHBondContact O-N 2.96Å; N272-H275 VanDerWaalsContact O-N 3.16Å; N272-H275 PolarHBondContact O-ND1 3.19Å; N272-Y278 WeakPolarHBondContact ND2-CE2 3.09Å; N272-Y278 PolarHBondContact ND2-OH 3.38Å
273	P	71.7	Confident	76.8	Confident	61 Å²	61	57.3 Å²	57.3	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.4	-179.2	24.1	-33.4	0	0	0	113.6	L38 T271	L38-P273 HydrophobicContact CB-CB 4.5Å; L38-P273 HydrophobicContact CD1-CB 3.78Å; T271-P273 WeakPolarHBondContact O-CD 3.32Å
274	Y	79	Confident	77.8	Confident	25 Å²	25	57.3 Å²	57.3	10%	0.098	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.1	-179.1	-64.4	-61.5	0	0	0	114.9	L31 L38 L45 N272 L276 I277 Y278	L31-Y274 HydrophobicContact CD1-CE2 4.42Å; L31-Y274 HydrophobicContact CD2-CE2 3.4Å; L31-Y274 VanDerWaalsContact CD2-CE2 3.4Å; L31-Y274 WeakPolarHBondContact CD2-OH 3.25Å; L38-Y274 HydrophobicContact CB-CE1 4.46Å; L38-Y274 HydrophobicContact CD2-CD1 4.41Å; L38-Y274 HydrophobicContact CD2-CE1 3.41Å; L38-Y274 VanDerWaalsContact CD2-CE1 3.41Å; L38-Y274 HydrophobicContact CD2-CE2 4.42Å; L38-Y274 VanDerWaalsContact CD2-CZ 3.44Å; L38-Y274 WeakPolarHBondContact CD2-OH 3.31Å; L45-Y274 HydrophobicContact CD1-CD1 4.42Å; L45-Y274 HydrophobicContact CD1-CE1 4.08Å; L45-Y274 HydrophobicContact CD2-CD1 3.52Å; L45-Y274 HydrophobicContact CD2-CE1 3.28Å; L45-Y274 HydrophobicContact CG-CE1 4.32Å; N272-Y274 PolarHBondContact O-N 3.3Å; N272-Y274 VanDerWaalsContact O-N 3.08Å; N272-Y274 WeakPolarHBondContact OD1-CB 3.14Å; N272-Y274 PolarHBondContact OD1-N 3.1Å; Y274-L276 PolarHBondContact O-N 2.7Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 HydrophobicContact CD1-CG1 4.45Å; Y274-I277 WeakPolarHBondContact O-CG1 3.37Å; Y274-I277 PolarHBondContact O-N 3.22Å; Y274-I277 VanDerWaalsContact O-N 3.07Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.47Å
275	H	82.4	Confident	79.5	Confident	43 Å²	43	51.9 Å²	51.9	20%	0.199	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.5	-28.7	-173.4	70.1	-80.5	0	0	0	114.3	N272 I277 Q280	N272-H275 WeakPolarHBondContact O-CB 3.5Å; N272-H275 PolarHBondContact O-N 2.96Å; N272-H275 VanDerWaalsContact O-N 3.16Å; N272-H275 PolarHBondContact O-ND1 3.19Å; H275-I277 VanDerWaalsContact C-N 3.35Å; H275-Q280 PolarHBondContact O-NE2 2.97Å
276	L	85.3	Confident	81.3	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-74.6	-18.8	-179.1	-63.6	175.5	0	0	0	114.3	K39 I237 E238 L241 I257 Y274 P332	K39-L276 HydrophobicContact CB-CD1 3.87Å; K39-L276 HydrophobicContact CD-CD1 3.94Å; K39-L276 HydrophobicContact CG-CD1 3.86Å; I237-L276 HydrophobicContact CG2-CB 4.27Å; E238-L276 HydrophobicContact CB-CD1 3.9Å; E238-L276 HydrophobicContact CG-CD1 4.13Å; L241-L276 HydrophobicContact CD2-CB 4.39Å; L241-L276 HydrophobicContact CD2-CD2 3.79Å; I257-L276 HydrophobicContact CG2-CD2 4.36Å; Y274-L276 PolarHBondContact O-N 2.7Å; L276-P332 WeakPolarHBondContact O-CB 3.47Å; L276-P332 WeakPolarHBondContact O-CG 3.02Å
277	I	88	Confident	82.9	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-93.6	-12.1	178.4	62.2	155.4	0	0	0	113.1	L45 L49 I237 Y274 H275	L45-I277 HydrophobicContact CD1-CD1 4.25Å; L45-I277 HydrophobicContact CD2-CD1 3.46Å; L45-I277 VanDerWaalsContact CD2-CD1 3.46Å; L45-I277 HydrophobicContact CG-CD1 3.55Å; L49-I277 HydrophobicContact CD2-CD1 4.03Å; L49-I277 HydrophobicContact CD2-CG1 4.36Å; I237-I277 HydrophobicContact CD1-CG2 3.84Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 HydrophobicContact CD1-CG1 4.45Å; Y274-I277 WeakPolarHBondContact O-CG1 3.37Å; Y274-I277 PolarHBondContact O-N 3.22Å; Y274-I277 VanDerWaalsContact O-N 3.07Å; H275-I277 VanDerWaalsContact C-N 3.35Å
278	Y	89.4	Confident	84.6	Confident	87 Å²	87	38.9 Å²	38.9	34%	0.341	20%	0.202	S	C	.	.	S	Bend	trans	-74.3	155.9	175.5	-66.1	-53	0	0	0	111.6	L49 N272 Y274 Q280 P332	L49-Y278 HydrophobicContact CD1-CD1 3.88Å; L49-Y278 HydrophobicContact CD1-CE1 3.58Å; L49-Y278 HydrophobicContact CD2-CD1 3.82Å; L49-Y278 HydrophobicContact CD2-CE1 4.13Å; N272-Y278 WeakPolarHBondContact ND2-CE2 3.09Å; N272-Y278 PolarHBondContact ND2-OH 3.38Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.47Å; Y278-Q280 PolarHBondContact O-N 3Å; Y278-Q280 PolarHBondContact O-NE2 3.14Å; Y278-P332 VanDerWaalsContact O-CD 3.31Å; Y278-P332 WeakPolarHBondContact O-CD 2.99Å; Y278-P332 WeakPolarHBondContact O-CG 3.19Å
279	P	92.6	Very high	86.4	Confident	33 Å²	33	36 Å²	36	21%	0.214	19%	0.191	C	C	.	.			trans	-51.2	135.7	172.5	-27.4	35.6	0	0	0	112.9	Q182 E329 I330 I331	Q182-P279 HydrophobicContact CG-CG 4.09Å; P279-E329 HydrophobicContact CB-CB 4.38Å; P279-E329 WeakPolarHBondContact CB-OE2 3.49Å; P279-I330 WeakPolarHBondContact CA-O 3.35Å; P279-I331 HydrophobicContact CB-CD1 3.74Å; P279-I331 HydrophobicContact CG-CD1 4Å
280	Q	91.9	Very high	88	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.5	-178	-57.1	-58.2	-35.9	0	0	110.7	L241 L243 Y268 H275 Y278 E329 I330 P332	L241-Q280 HydrophobicContact CD1-CG 4.18Å; L241-Q280 HydrophobicContact CD2-CG 4.06Å; L243-Q280 HydrophobicContact CD2-CB 3.65Å; Y268-Q280 PolarHBondContact OH-OE1 2.83Å; H275-Q280 PolarHBondContact O-NE2 2.97Å; Y278-Q280 PolarHBondContact O-N 3Å; Y278-Q280 PolarHBondContact O-NE2 3.14Å; Q280-E329 CarbonylContact O-C 3.2Å; Q280-E329 VanDerWaalsContact O-CA 3.23Å; Q280-E329 WeakPolarHBondContact O-CA 3.12Å; Q280-I330 PolarHBondContact N-O 3.11Å; Q280-I330 PolarHBondContact O-N 3.01Å; Q280-P332 HydrophobicContact CG-CG 4.32Å
281	K	93.5	Very high	89.4	Confident	31 Å²	31	24 Å²	24	14%	0.135	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.9	175.6	-71	179.1	-176.9	-166.5	0	110.7	L243 P263 S265 I266 W322 Q327 I328 E329	L243-K281 WeakPolarHBondContact CD1-O 3.49Å; P263-K281 HydrophobicContact CB-CB 4.48Å; P263-K281 WeakPolarHBondContact CD-O 3.49Å; P263-K281 HydrophobicContact CG-CB 3.98Å; S265-K281 PolarHBondContact OG-NZ 2.92Å; S265-K281 VanDerWaalsContact OG-NZ 3.12Å; I266-K281 HydrophobicContact CD1-CB 3.97Å; I266-K281 HydrophobicContact CD1-CD 3.37Å; I266-K281 HydrophobicContact CD1-CG 3.59Å; I266-K281 HydrophobicContact CG1-CD 3.92Å; K281-W322 HydrophobicContact CB-CH2 4.15Å; K281-W322 HydrophobicContact CB-CZ2 4.25Å; K281-W322 HydrophobicContact CD-CH2 3.87Å; K281-W322 HydrophobicContact CG-CH2 4.12Å; K281-Q327 VanDerWaalsContact CE-OE1 3.23Å; K281-I328 CarbonylContact C-O 3.58Å; K281-I328 VanDerWaalsContact CA-O 3.29Å; K281-I328 WeakPolarHBondContact CA-O 3.37Å; K281-E329 HydrophobicContact CG-CG 4.07Å
282	S	95.5	Very high	90.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.			trans	-122.1	131.5	-178.5	-174	0	0	0	0	111.1	G244 A284 W322 I328	G244-S282 WeakPolarHBondContact CA-OG 3.33Å; G244-S282 PolarHBondContact N-OG 2.83Å; G244-S282 PolarHBondContact O-OG 3.4Å; S282-A284 PolarHBondContact O-N 3.32Å; S282-A284 PolarHBondContact OG-O 3.03Å; S282-W322 WeakPolarHBondContact O-CZ2 3.44Å; S282-W322 PolarHBondContact O-NE1 2.98Å; S282-I328 PolarHBondContact N-O 3.35Å
283	P	96.4	Very high	91.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-59.8	-33.1	175.6	-27	35.9	0	0	0	113.9	G244 V261 P263 W322 Y417 I421 Y422	G244-P283 VanDerWaalsContact O-CD 3.26Å; G244-P283 WeakPolarHBondContact O-CD 3.4Å; V261-P283 HydrophobicContact CG2-CG 3.86Å; V261-P283 VanDerWaalsContact O-CG 3.27Å; V261-P283 WeakPolarHBondContact O-CG 3.36Å; P263-P283 HydrophobicContact CG-CG 4.37Å; P283-W322 VanDerWaalsContact O-CD1 3.27Å; P283-W322 PolarHBondContact O-NE1 2.84Å; P283-Y417 PolarHBondContact O-OH 3.23Å; P283-I421 HydrophobicContact CB-CG2 4.27Å; P283-Y422 HydrophobicContact CB-CD1 3.99Å; P283-Y422 HydrophobicContact CB-CD2 4.11Å; P283-Y422 HydrophobicContact CB-CG 3.78Å; P283-Y422 HydrophobicContact CG-CD2 4.01Å; P283-Y422 HydrophobicContact CG-CG 4.17Å
284	A	97.3	Very high	93	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-138.8	158.3	179.4	0	0	0	0	0	113.8	G244 F246 F252 S282 I315 S318	G244-A284 WeakPolarHBondContact CA-O 3.34Å; G244-A284 PolarHBondContact O-N 3.27Å; F246-A284 HydrophobicContact CD1-CB 3.97Å; F246-A284 HydrophobicContact CE1-CB 4.45Å; F252-A284 HydrophobicContact CD2-CB 4.47Å; F252-A284 HydrophobicContact CE2-CB 4.3Å; S282-A284 PolarHBondContact O-N 3.32Å; S282-A284 PolarHBondContact OG-O 3.03Å; A284-I315 HydrophobicContact CB-CD1 4.26Å; A284-S318 WeakPolarHBondContact CA-OG 3.47Å
285	L	96.5	Very high	93.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.099	C	C	.	.			trans	-91.4	142.1	169.1	-70.4	162.9	0	0	0	109.9	I220 F252 G287 F290 N314 L317 S318 I328	I220-L285 HydrophobicContact CD1-CD1 3.82Å; I220-L285 HydrophobicContact CG2-CD1 3.88Å; I220-L285 HydrophobicContact CG2-CD2 3.87Å; I220-L285 HydrophobicContact CG2-CG 4.48Å; F252-L285 WeakPolarHBondContact CD2-O 3.48Å; F252-L285 VanDerWaalsContact CE2-C 3.43Å; F252-L285 VanDerWaalsContact CE2-O 3.29Å; F252-L285 WeakPolarHBondContact CE2-O 3.12Å; L285-G287 PolarHBondContact O-N 3.04Å; L285-F290 HydrophobicContact CD2-CB 4.34Å; L285-N314 WeakPolarHBondContact O-CB 3.43Å; L285-N314 PolarHBondContact O-ND2 2.88Å; L285-L317 HydrophobicContact CD1-CD2 3.82Å; L285-L317 HydrophobicContact CD1-CG 4.08Å; L285-S318 PolarHBondContact N-OG 3.28Å; L285-I328 HydrophobicContact CD1-CD1 4.11Å; L285-I328 HydrophobicContact CD1-CG1 4.46Å; L285-I328 HydrophobicContact CD2-CG2 3.46Å; L285-I328 VanDerWaalsContact CD2-CG2 3.46Å; L285-I328 HydrophobicContact CG-CD1 3.88Å; L285-I328 HydrophobicContact CG-CG1 4.32Å; L285-I328 HydrophobicContact CG-CG2 3.78Å
286	A	94.9	Very high	94.4	Very high	31 Å²	31	18.1 Å²	18.1	26%	0.256	9%	0.094	S	C	.	.			trans	-65.8	-17.9	165.9	0	0	0	0	0	112.4	I225 F252 W254 G288	I225-A286 HydrophobicContact CD1-CB 3.96Å; F252-A286 HydrophobicContact CE1-CB 4Å; F252-A286 HydrophobicContact CE2-CB 4.19Å; F252-A286 HydrophobicContact CZ-CB 3.69Å; W254-A286 HydrophobicContact CH2-CB 3.66Å; W254-A286 HydrophobicContact CZ2-CB 3.69Å; A286-G288 VanDerWaalsContact C-N 3.34Å; A286-G288 PolarHBondContact O-N 2.83Å
287	G	89.4	Confident	94.9	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	94.6	-40.3	176.4	0	0	0	0	0	113.5	R150 L285 N314	R150-G287 PolarHBondContact NH1-O 2.51Å; R150-G287 PolarHBondContact NH2-O 3.48Å; L285-G287 PolarHBondContact O-N 3.04Å; G287-N314 VanDerWaalsContact CA-CB 3.42Å
288	G	89.9	Confident	95.3	Very high	8 Å²	8	20.9 Å²	20.9	8%	0.082	11%	0.106	C	C	.	.	S	Bend	trans	-61.5	-49	-173.1	0	0	0	0	0	114.5	R150 D166 A286	R150-G288 PolarHBondContact NH2-O 2.63Å; D166-G288 WeakPolarHBondContact OD1-CA 3.43Å; D166-G288 VanDerWaalsContact OD2-CA 3.27Å; D166-G288 WeakPolarHBondContact OD2-CA 3.26Å; A286-G288 VanDerWaalsContact C-N 3.34Å; A286-G288 PolarHBondContact O-N 2.83Å
289	L	98.2	Very high	95.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	-130.7	114.9	-161.6	-41.5	-179.9	0	0	0	111.3	F164 L165 D166 V169 S222 P223 I225 V336	F164-L289 WeakPolarHBondContact O-CA 3.39Å; L165-L289 HydrophobicContact CB-CD2 4.34Å; L165-L289 HydrophobicContact CD2-CB 4.28Å; L165-L289 HydrophobicContact CD2-CD2 3.82Å; D166-L289 HydrophobicContact CB-CD2 4.24Å; V169-L289 HydrophobicContact CG1-CD1 4.13Å; V169-L289 HydrophobicContact CG1-CD2 3.67Å; S222-L289 WeakPolarHBondContact CB-O 3.48Å; S222-L289 PolarHBondContact OG-O 3.17Å; P223-L289 HydrophobicContact CG-CB 3.8Å; P223-L289 HydrophobicContact CG-CD1 4.28Å; I225-L289 HydrophobicContact CD1-CB 4.07Å; I225-L289 HydrophobicContact CD1-CD1 3.83Å; I225-L289 HydrophobicContact CD1-CG 3.94Å; I225-L289 HydrophobicContact CG1-CD1 4Å; I225-L289 HydrophobicContact CG2-CD1 4.19Å; L289-V336 HydrophobicContact CD1-CB 3.89Å; L289-V336 HydrophobicContact CD1-CG1 3.61Å
290	F	98.6	Very high	95.3	Very high	2 Å²	2	21 Å²	21	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	162.5	174.1	64.8	-85.8	0	0	0	112.9	V163 F164 I220 V221 L285 V292 Y303 L317	V163-F290 CarbonylContact C-O 3.35Å; V163-F290 WeakPolarHBondContact CA-O 3.47Å; F164-F290 HydrophobicContact CB-CD1 4.28Å; F164-F290 HydrophobicContact CB-CE1 4Å; F164-F290 HydrophobicContact CB-CZ 4.24Å; F164-F290 HydrophobicContact CD2-CD2 4.02Å; F164-F290 AromaticContact CD2-CE1 3.92Å; F164-F290 HydrophobicContact CD2-CE1 3.92Å; F164-F290 AromaticContact CD2-CE2 3.34Å; F164-F290 HydrophobicContact CD2-CE2 3.34Å; F164-F290 AromaticContact CD2-CZ 3.28Å; F164-F290 HydrophobicContact CD2-CZ 3.28Å; F164-F290 AromaticContact CE2-CE2 3.73Å; F164-F290 HydrophobicContact CE2-CE2 3.73Å; F164-F290 AromaticContact CE2-CZ 3.76Å; F164-F290 HydrophobicContact CE2-CZ 3.76Å; F164-F290 HydrophobicContact CG-CE1 4.15Å; F164-F290 HydrophobicContact CG-CE2 4.33Å; F164-F290 AromaticContact CG-CZ 3.9Å; F164-F290 HydrophobicContact CG-CZ 3.9Å; F164-F290 PolarHBondContact N-O 3.36Å; F164-F290 PolarHBondContact O-N 3.03Å; F164-F290 VanDerWaalsContact O-N 3.17Å; I220-F290 HydrophobicContact CG2-CB 3.69Å; I220-F290 HydrophobicContact CG2-CD2 3.61Å; I220-F290 HydrophobicContact CG2-CE2 4.49Å; I220-F290 HydrophobicContact CG2-CG 3.88Å; V221-F290 CarbonylContact O-C 3.58Å; V221-F290 VanDerWaalsContact O-CA 3.24Å; V221-F290 WeakPolarHBondContact O-CA 3.25Å; V221-F290 WeakPolarHBondContact O-CB 3.47Å; L285-F290 HydrophobicContact CD2-CB 4.34Å; F290-V292 HydrophobicContact CD2-CB 4.33Å; F290-V292 HydrophobicContact CD2-CG1 4.3Å; F290-V292 HydrophobicContact CE2-CB 4.33Å; F290-V292 HydrophobicContact CE2-CG1 3.92Å; F290-Y303 WeakPolarHBondContact CE1-OH 3.37Å; F290-Y303 HydrophobicContact CZ-CE2 4.44Å; F290-Y303 WeakPolarHBondContact CZ-OH 3.49Å; F290-L317 HydrophobicContact CE1-CD2 4.26Å; F290-L317 HydrophobicContact CE2-CD2 4.29Å; F290-L317 HydrophobicContact CZ-CD2 3.82Å
291	A	98.7	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.9	169.2	0	0	0	0	0	111.7	I161 L162 V163 L179 L183 V221	I161-A291 HydrophobicContact CG2-CB 4.3Å; L162-A291 CarbonylContact O-C 3.42Å; L162-A291 VanDerWaalsContact O-CA 3.22Å; L162-A291 WeakPolarHBondContact O-CA 3.35Å; V163-A291 HydrophobicContact CG2-CB 3.92Å; L179-A291 HydrophobicContact CD2-CB 3.72Å; L179-A291 HydrophobicContact CG-CB 3.91Å; L183-A291 HydrophobicContact CD2-CB 4.34Å; V221-A291 HydrophobicContact CG2-CB 3.9Å; V221-A291 PolarHBondContact N-O 2.85Å; V221-A291 VanDerWaalsContact N-O 3.07Å; V221-A291 PolarHBondContact O-N 2.91Å
292	V	98.4	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.1	-178.5	65.7	0	0	0	0	110.1	L162 F164 I220 F290 F297	L162-V292 HydrophobicContact CB-CG1 4.1Å; L162-V292 PolarHBondContact N-O 3Å; L162-V292 PolarHBondContact O-N 3.48Å; F164-V292 HydrophobicContact CE2-CG1 4.17Å; I220-V292 HydrophobicContact CG1-CB 4.39Å; I220-V292 HydrophobicContact CG1-CG2 4.04Å; F290-V292 HydrophobicContact CD2-CB 4.33Å; F290-V292 HydrophobicContact CD2-CG1 4.3Å; F290-V292 HydrophobicContact CE2-CB 4.33Å; F290-V292 HydrophobicContact CE2-CG1 3.92Å; V292-F297 HydrophobicContact CG1-CB 3.88Å; V292-F297 HydrophobicContact CG1-CD2 4.04Å; V292-F297 HydrophobicContact CG1-CG 4.13Å; V292-F297 HydrophobicContact CG2-CB 4.07Å
293	W	98.2	Very high	95.6	Very high	20 Å²	20	20.8 Å²	20.8	8%	0.076	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133	169.2	-71.4	102.5	0	0	0	110.7	P73 E160 I161 L183 I184 R187 D295 D296 F297	P73-W293 HydrophobicContact CB-CH2 4.23Å; P73-W293 HydrophobicContact CB-CZ3 4.08Å; P73-W293 HydrophobicContact CG-CH2 3.31Å; P73-W293 HydrophobicContact CG-CZ2 4.29Å; P73-W293 HydrophobicContact CG-CZ3 3.66Å; E160-W293 HydrophobicContact CB-CE3 4.27Å; E160-W293 HydrophobicContact CB-CZ3 4.01Å; I161-W293 HydrophobicContact CG1-CD2 4.26Å; I161-W293 HydrophobicContact CG1-CE3 3.97Å; I161-W293 HydrophobicContact CG1-CH2 4.49Å; I161-W293 HydrophobicContact CG1-CZ3 4.11Å; L183-W293 HydrophobicContact CD2-CG 4.39Å; L183-W293 HydrophobicContact CG-CG 4.5Å; L183-W293 PolarHBondContact O-NE1 2.83Å; I184-W293 HydrophobicContact CG1-CZ2 4.17Å; R187-W293 HydrophobicContact CB-CZ2 4.36Å; R187-W293 VanDerWaalsContact CD-NE1 3.33Å; R187-W293 VanDerWaalsContact NH1-CG 3.25Å; W293-D295 WeakPolarHBondContact CB-OD1 3.36Å; W293-D295 PolarHBondContact O-N 2.9Å; W293-D296 HydrophobicContact CB-CB 4.04Å; W293-D296 PolarHBondContact O-N 2.94Å; W293-F297 WeakPolarHBondContact O-CB 3.26Å; W293-F297 PolarHBondContact O-N 2.85Å
294	K	98.1	Very high	95.6	Very high	53 Å²	53	21 Å²	21	23%	0.23	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-46.8	-177.8	-177.2	179	-179.3	-174.8	0	111.6	A154 A157 G159 E160 L162 F297 F298	A154-K294 VanDerWaalsContact O-CE 3.29Å; A154-K294 WeakPolarHBondContact O-CE 3.12Å; A157-K294 PolarHBondContact O-NZ 3.46Å; G159-K294 WeakPolarHBondContact O-CD 3.33Å; E160-K294 WeakPolarHBondContact O-CB 3.48Å; E160-K294 PolarHBondContact O-N 3.05Å; L162-K294 HydrophobicContact CD1-CB 4.21Å; L162-K294 HydrophobicContact CD1-CG 4.11Å; L162-K294 HydrophobicContact CD2-CB 4Å; L162-K294 HydrophobicContact CD2-CD 4.16Å; L162-K294 HydrophobicContact CD2-CG 4.04Å; L162-K294 HydrophobicContact CG-CB 3.83Å; L162-K294 HydrophobicContact CG-CG 4.13Å; K294-F297 PolarHBondContact O-N 3.17Å; K294-F298 HydrophobicContact CD-CE2 4.44Å; K294-F298 HydrophobicContact CG-CD2 3.87Å; K294-F298 HydrophobicContact CG-CE2 3.83Å; K294-F298 VanDerWaalsContact O-CD2 3.26Å; K294-F298 WeakPolarHBondContact O-CD2 3.39Å; K294-F298 PolarHBondContact O-N 3.4Å; K294-F298 VanDerWaalsContact O-N 3.13Å
295	D	96.5	Very high	95.6	Very high	79 Å²	79	24 Å²	24	42%	0.422	13%	0.128	S	C	.	.	H	α-helix	trans	-62.6	-46.1	-179.5	61.4	-26	0	0	0	111.4	R187 W293 H299	R187-D295 IonicContact CZ-OD1 3.61Å; R187-D295 IonicContact CZ-OD2 2.82Å; R187-D295 IonicContact NH1-OD1 3.45Å; R187-D295 PolarHBondContact NH1-OD1 3.5Å; R187-D295 IonicContact NH1-OD2 3.43Å; R187-D295 PolarHBondContact NH1-OD2 2.92Å; R187-D295 IonicContact NH2-OD1 3.94Å; R187-D295 IonicContact NH2-OD2 2.61Å; R187-D295 PolarHBondContact NH2-OD2 2.76Å; W293-D295 WeakPolarHBondContact CB-OD1 3.36Å; W293-D295 PolarHBondContact O-N 2.9Å; D295-H299 WeakPolarHBondContact O-CB 3.47Å; D295-H299 PolarHBondContact O-N 3.37Å
296	D	94.3	Very high	95.6	Very high	18 Å²	18	28.4 Å²	28.4	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-53.6	173.1	-72.9	-35.9	0	0	0	110.5	H218 W293 F298 H299 Y300	H218-D296 IonicContact CE1-OD1 2.77Å; H218-D296 IonicContact ND1-OD1 3.63Å; H218-D296 PolarHBondContact ND1-OD1 2.82Å; W293-D296 HydrophobicContact CB-CB 4.04Å; W293-D296 PolarHBondContact O-N 2.94Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.36Å; D296-F298 VanDerWaalsContact O-N 3.15Å; D296-H299 WeakPolarHBondContact O-CA 3.35Å; D296-H299 WeakPolarHBondContact O-CB 3.39Å; D296-H299 PolarHBondContact O-N 2.96Å; D296-Y300 VanDerWaalsContact C-CD1 3.42Å; D296-Y300 HydrophobicContact CB-CD1 4.32Å; D296-Y300 HydrophobicContact CB-CE1 4.04Å; D296-Y300 WeakPolarHBondContact O-CD1 3.24Å; D296-Y300 WeakPolarHBondContact O-CE1 3.33Å; D296-Y300 PolarHBondContact O-N 3.36Å
297	F	96.7	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-50	-45.1	-176.8	178.6	-105.2	0	0	0	112.9	M151 A154 L162 F164 V292 W293 K294 Y300 G302 Y303	M151-F297 HydrophobicContact SD-CE1 3.62Å; M151-F297 HydrophobicContact SD-CZ 3.76Å; A154-F297 HydrophobicContact CB-CD1 4.45Å; A154-F297 HydrophobicContact CB-CE1 4.01Å; L162-F297 HydrophobicContact CD1-CB 4.48Å; L162-F297 HydrophobicContact CD1-CD1 3.94Å; L162-F297 HydrophobicContact CD1-CG 4.35Å; F164-F297 HydrophobicContact CE2-CE2 4.49Å; F164-F297 HydrophobicContact CZ-CE1 4.3Å; F164-F297 HydrophobicContact CZ-CZ 4.18Å; V292-F297 HydrophobicContact CG1-CB 3.88Å; V292-F297 HydrophobicContact CG1-CD2 4.04Å; V292-F297 HydrophobicContact CG1-CG 4.13Å; V292-F297 HydrophobicContact CG2-CB 4.07Å; W293-F297 WeakPolarHBondContact O-CB 3.26Å; W293-F297 PolarHBondContact O-N 2.85Å; K294-F297 PolarHBondContact O-N 3.17Å; F297-Y300 VanDerWaalsContact CA-CE1 3.5Å; F297-G302 WeakPolarHBondContact O-CA 3.47Å; F297-G302 PolarHBondContact O-N 2.88Å; F297-Y303 HydrophobicContact CE2-CD2 4.2Å; F297-Y303 HydrophobicContact CE2-CE2 4.16Å; F297-Y303 AromaticContact CZ-CD2 3.63Å; F297-Y303 HydrophobicContact CZ-CD2 3.63Å; F297-Y303 AromaticContact CZ-CE2 3.88Å; F297-Y303 HydrophobicContact CZ-CE2 3.88Å; F297-Y303 HydrophobicContact CZ-CG 4.38Å
298	F	96.6	Very high	95.8	Very high	67 Å²	67	29.3 Å²	29.3	29%	0.294	15%	0.148	S	C	.	.	H	α-helix	trans	-76.2	-37.3	175.2	-74.3	-70.5	0	0	0	113.1	M151 A154 R155 K294 D296 Y300 G301	M151-F298 HydrophobicContact CE-CD1 4.4Å; M151-F298 HydrophobicContact CE-CE1 3.84Å; A154-F298 HydrophobicContact CB-CE2 4.18Å; A154-F298 HydrophobicContact CB-CZ 3.73Å; R155-F298 HydrophobicContact CG-CE1 4.13Å; R155-F298 HydrophobicContact CG-CZ 3.95Å; K294-F298 HydrophobicContact CD-CE2 4.44Å; K294-F298 HydrophobicContact CG-CD2 3.87Å; K294-F298 HydrophobicContact CG-CE2 3.83Å; K294-F298 VanDerWaalsContact O-CD2 3.26Å; K294-F298 WeakPolarHBondContact O-CD2 3.39Å; K294-F298 PolarHBondContact O-N 3.4Å; K294-F298 VanDerWaalsContact O-N 3.13Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.36Å; D296-F298 VanDerWaalsContact O-N 3.15Å; F298-Y300 PolarHBondContact O-N 3.29Å; F298-G301 PolarHBondContact O-N 3.13Å
299	H	92.2	Very high	95.9	Very high	122 Å²	122	29.7 Å²	29.7	57%	0.565	15%	0.148	S	C	*	.	H	α-helix	trans	-58.9	-43.9	-179	177	70	0	0	0	112.9	H218 D295 D296 G301	H218-H299 AromaticContact CE1-CD2 3.73Å; D295-H299 WeakPolarHBondContact O-CB 3.47Å; D295-H299 PolarHBondContact O-N 3.37Å; D296-H299 WeakPolarHBondContact O-CA 3.35Å; D296-H299 WeakPolarHBondContact O-CB 3.39Å; D296-H299 PolarHBondContact O-N 2.96Å; H299-G301 VanDerWaalsContact C-N 3.28Å; H299-G301 PolarHBondContact O-N 3.27Å
300	Y	89.9	Confident	95.7	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	17.5	176.1	69.6	-88.3	0	0	0	113	H218 D296 F297 F298 L317 R320	H218-Y300 HydrophobicContact CB-CD1 4.19Å; H218-Y300 HydrophobicContact CB-CE1 4.22Å; H218-Y300 AromaticContact CG-CD1 3.89Å; D296-Y300 VanDerWaalsContact C-CD1 3.42Å; D296-Y300 HydrophobicContact CB-CD1 4.32Å; D296-Y300 HydrophobicContact CB-CE1 4.04Å; D296-Y300 WeakPolarHBondContact O-CD1 3.24Å; D296-Y300 WeakPolarHBondContact O-CE1 3.33Å; D296-Y300 PolarHBondContact O-N 3.36Å; F297-Y300 VanDerWaalsContact CA-CE1 3.5Å; F298-Y300 PolarHBondContact O-N 3.29Å; Y300-L317 HydrophobicContact CE2-CD1 3.83Å; Y300-R320 HydrophobicContact CD2-CG 4.09Å; Y300-R320 VanDerWaalsContact CE2-NH1 3.25Å; Y300-R320 VanDerWaalsContact O-CD 3.26Å; Y300-R320 WeakPolarHBondContact O-CD 3.41Å; Y300-R320 PolarHBondContact O-NH1 3.14Å
301	G	93.2	Very high	95.4	Very high	27 Å²	27	33.5 Å²	33.5	28%	0.278	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	14.7	160.6	0	0	0	0	0	117.7	F298 H299 R402	F298-G301 PolarHBondContact O-N 3.13Å; H299-G301 VanDerWaalsContact C-N 3.28Å; H299-G301 PolarHBondContact O-N 3.27Å; G301-R402 PolarHBondContact O-NH1 2.66Å
302	G	95.8	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.			trans	56	-153.6	173.7	0	0	0	0	0	113.6	F297 R320	F297-G302 WeakPolarHBondContact O-CA 3.47Å; F297-G302 PolarHBondContact O-N 2.88Å; G302-R320 PolarHBondContact O-NH1 3.21Å; G302-R320 PolarHBondContact O-NH2 3.29Å
303	Y	97.3	Very high	95.2	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.012	17%	0.165	C	C	.	.	S	Bend	trans	-84	157.6	164	-74	-74	0	0	0	111.3	V147 R150 M151 F290 F297 E305 E313 L317	V147-Y303 VanDerWaalsContact CG1-CB 3.49Å; V147-Y303 HydrophobicContact CG1-CG 4.23Å; R150-Y303 HydrophobicContact CB-CD2 4.22Å; R150-Y303 HydrophobicContact CB-CE2 4.01Å; R150-Y303 PolarHBondContact NH1-OH 2.87Å; M151-Y303 HydrophobicContact CG-CD2 4.28Å; M151-Y303 HydrophobicContact SD-CD2 4.11Å; M151-Y303 PolarHBondContact SD-N 3.26Å; F290-Y303 WeakPolarHBondContact CE1-OH 3.37Å; F290-Y303 HydrophobicContact CZ-CE2 4.44Å; F290-Y303 WeakPolarHBondContact CZ-OH 3.49Å; F297-Y303 HydrophobicContact CE2-CD2 4.2Å; F297-Y303 HydrophobicContact CE2-CE2 4.16Å; F297-Y303 AromaticContact CZ-CD2 3.63Å; F297-Y303 HydrophobicContact CZ-CD2 3.63Å; F297-Y303 AromaticContact CZ-CE2 3.88Å; F297-Y303 HydrophobicContact CZ-CE2 3.88Å; F297-Y303 HydrophobicContact CZ-CG 4.38Å; Y303-E305 PolarHBondContact O-N 3.26Å; Y303-E305 VanDerWaalsContact O-N 3.15Å; Y303-E313 HydrophobicContact CD1-CB 3.91Å; Y303-E313 HydrophobicContact CD1-CG 4.13Å; Y303-E313 HydrophobicContact CE1-CB 4.03Å; Y303-E313 HydrophobicContact CE1-CG 3.78Å; Y303-L317 HydrophobicContact CE1-CB 4.45Å; Y303-L317 HydrophobicContact CE1-CD2 3.94Å
304	D	97.5	Very high	95.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.027	16%	0.164	C	C	.	.			trans	-73.6	96.4	169.1	-178.8	13.9	0	0	0	110.7	V147 E306 M307 R362 R402	V147-D304 VanDerWaalsContact CG1-O 3.28Å; V147-D304 WeakPolarHBondContact CG1-O 3.36Å; D304-E306 PolarHBondContact O-N 3.1Å; D304-E306 VanDerWaalsContact O-N 3.11Å; D304-E306 PolarHBondContact OD1-N 2.89Å; D304-M307 HydrophobicContact CB-CE 4.15Å; D304-M307 HydrophobicContact CB-CG 3.97Å; D304-M307 HydrophobicContact CB-SD 4.2Å; D304-M307 VanDerWaalsContact O-CB 3.27Å; D304-M307 WeakPolarHBondContact O-CB 3.24Å; D304-M307 WeakPolarHBondContact O-CG 3.3Å; D304-M307 PolarHBondContact O-N 3.36Å; D304-R362 IonicContact OD1-CZ 3.45Å; D304-R362 IonicContact OD1-NE 3.28Å; D304-R362 IonicContact OD1-NH2 3.78Å; D304-R362 PolarHBondContact OD1-NH2 3.29Å; D304-R362 IonicContact OD2-CZ 3.24Å; D304-R362 VanDerWaalsContact OD2-CZ 3.26Å; D304-R362 IonicContact OD2-NE 2.72Å; D304-R362 PolarHBondContact OD2-NE 2.89Å; D304-R362 IonicContact OD2-NH2 2.88Å; D304-R362 PolarHBondContact OD2-NH2 2.95Å; D304-R402 HydrophobicContact CB-CG 4.42Å
305	E	96.3	Very high	95.1	Very high	61 Å²	61	30.8 Å²	30.8	29%	0.285	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.1	-176.2	-73	175.4	-90.8	0	0	115.2	K148 M151 R155 Y303 M307	K148-E305 WeakPolarHBondContact CE-O 3.26Å; K148-E305 HydrophobicContact CG-CB 4.2Å; K148-E305 HydrophobicContact CG-CG 4.4Å; K148-E305 WeakPolarHBondContact CG-O 3.41Å; M151-E305 HydrophobicContact CB-CG 4.06Å; M151-E305 HydrophobicContact CE-CG 4.39Å; M151-E305 WeakPolarHBondContact CE-OE1 3.29Å; M151-E305 HydrophobicContact CG-CG 3.68Å; R155-E305 IonicContact CZ-OE1 2.58Å; R155-E305 IonicContact CZ-OE2 3.88Å; R155-E305 VanDerWaalsContact CZ-OE2 3.24Å; R155-E305 IonicContact NH1-OE1 2.85Å; R155-E305 IonicContact NH1-OE2 3.92Å; R155-E305 PolarHBondContact NH1-OE2 3.38Å; R155-E305 IonicContact NH2-OE1 3.79Å; R155-E305 PolarHBondContact NH2-OE1 3.45Å; R155-E305 IonicContact NH2-OE2 3.05Å; R155-E305 PolarHBondContact NH2-OE2 2.95Å; Y303-E305 PolarHBondContact O-N 3.26Å; Y303-E305 VanDerWaalsContact O-N 3.15Å; E305-M307 VanDerWaalsContact C-N 3.28Å
306	E	96.3	Very high	95.2	Very high	95 Å²	95	27.2 Å²	27.2	44%	0.444	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.3	170.1	-68.2	-61.2	129.9	0	0	112.6	D304 R358 R362	D304-E306 PolarHBondContact O-N 3.1Å; D304-E306 VanDerWaalsContact O-N 3.11Å; D304-E306 PolarHBondContact OD1-N 2.89Å; E306-R358 PolarHBondContact O-NH1 3.36Å; E306-R358 PolarHBondContact O-NH2 3.41Å; E306-R358 VanDerWaalsContact O-NH2 3.13Å; E306-R362 VanDerWaalsContact CB-CZ 3.42Å; E306-R362 VanDerWaalsContact CB-NH2 3.26Å
307	M	96.1	Very high	95.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-71.7	135.3	168.5	-71.8	-175	174.3	0	0	110.7	V147 D304 E305 E313 E316 N359 T363	V147-M307 HydrophobicContact CG2-CB 4.2Å; D304-M307 HydrophobicContact CB-CE 4.15Å; D304-M307 HydrophobicContact CB-CG 3.97Å; D304-M307 HydrophobicContact CB-SD 4.2Å; D304-M307 VanDerWaalsContact O-CB 3.27Å; D304-M307 WeakPolarHBondContact O-CB 3.24Å; D304-M307 WeakPolarHBondContact O-CG 3.3Å; D304-M307 PolarHBondContact O-N 3.36Å; E305-M307 VanDerWaalsContact C-N 3.28Å; M307-E313 HydrophobicContact SD-CB 3.77Å; M307-E316 HydrophobicContact CE-CB 3.79Å; M307-E316 HydrophobicContact CE-CG 3.86Å; M307-N359 WeakPolarHBondContact CA-OD1 3.23Å; M307-N359 HydrophobicContact CG-CB 4.17Å; M307-N359 HydrophobicContact SD-CB 4.36Å; M307-T363 WeakPolarHBondContact CE-OG1 3.5Å
308	N	93.4	Very high	95.4	Very high	52 Å²	52	26.3 Å²	26.3	28%	0.278	13%	0.129	S	C	.	.			trans	-92.4	133.9	-175.4	-70.7	-19.7	0	0	0	110.7	W310 T355 R358 N359	N308-W310 VanDerWaalsContact C-N 3.32Å; N308-W310 PolarHBondContact O-N 3.23Å; N308-T355 HydrophobicContact CB-CG2 3.79Å; N308-T355 WeakPolarHBondContact O-CG2 3.44Å; N308-R358 PolarHBondContact ND2-NH1 2.7Å; N308-N359 PolarHBondContact N-OD1 3.12Å; N308-N359 PolarHBondContact O-ND2 2.82Å
309	I	91.9	Very high	95.5	Very high	15 Å²	15	23.1 Å²	23.1	8%	0.077	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	54.5	-80.2	170.3	-52.6	-58.2	0	0	0	114.6	R143 G145 L146 Y346 F348 T355	R143-I309 HydrophobicContact CG-CD1 4.22Å; G145-I309 CarbonylContact C-O 3.53Å; L146-I309 WeakPolarHBondContact CB-O 3.27Å; L146-I309 PolarHBondContact N-O 3.24Å; I309-Y346 HydrophobicContact CG2-CD2 4.29Å; I309-Y346 HydrophobicContact CG2-CE2 3.74Å; I309-F348 HydrophobicContact CB-CD1 4.15Å; I309-F348 HydrophobicContact CB-CE1 4.27Å; I309-F348 HydrophobicContact CG2-CD1 3.94Å; I309-F348 HydrophobicContact CG2-CE1 3.82Å; I309-F348 HydrophobicContact CG2-CZ 4.49Å; I309-T355 HydrophobicContact CB-CG2 4.15Å; I309-T355 HydrophobicContact CG1-CG2 4.48Å
310	W	93.6	Very high	95.7	Very high	84 Å²	84	17.3 Å²	17.3	32%	0.318	9%	0.088	S	C	.	.	S	Bend	trans	-161.4	147.1	-172.7	-178.5	84.3	0	0	0	110.7	L146 N308 H344 Y346 F348 I356	L146-W310 VanDerWaalsContact CD2-CD1 3.47Å; N308-W310 VanDerWaalsContact C-N 3.32Å; N308-W310 PolarHBondContact O-N 3.23Å; W310-H344 AromaticContact CE3-NE2 3.46Å; W310-H344 AromaticContact CH2-NE2 4Å; W310-H344 AromaticContact CZ3-NE2 3.45Å; W310-H344 WeakPolarHBondContact CZ3-NE2 3.26Å; W310-Y346 WeakPolarHBondContact CB-OH 3.43Å; W310-F348 HydrophobicContact CB-CE1 4.41Å; W310-I356 HydrophobicContact CE3-CD1 4.25Å; W310-I356 HydrophobicContact CE3-CG1 4.44Å; W310-I356 HydrophobicContact CZ3-CD1 3.98Å
311	G	92.5	Very high	96	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	9%	0.088	C	C	.	.	S	Bend	trans	112.3	136.5	171.4	0	0	0	0	0	111.9	E313 N359	G311-E313 VanDerWaalsContact CA-OE2 3.26Å; G311-E313 WeakPolarHBondContact CA-OE2 3.26Å; G311-E313 PolarHBondContact N-OE2 2.95Å; G311-E313 PolarHBondContact O-N 3.26Å; G311-N359 WeakPolarHBondContact O-CB 3.02Å; G311-N359 PolarHBondContact O-ND2 3.28Å
312	G	94.9	Very high	96.1	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	8%	0.076	C	C	.	.	S	Bend	trans	82.6	-19.1	177.2	0	0	0	0	0	115.3	N314 I315 E316	G312-N314 VanDerWaalsContact C-N 3.28Å; G312-N314 PolarHBondContact O-N 3.48Å; G312-I315 PolarHBondContact O-N 3.5Å; G312-E316 WeakPolarHBondContact O-CB 3.28Å; G312-E316 PolarHBondContact O-N 2.95Å
313	E	97.4	Very high	96.1	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-32.4	-176.5	79.3	-70.4	169	0	0	112.7	V147 Y303 M307 G311 L317	V147-E313 HydrophobicContact CG2-CB 3.49Å; V147-E313 VanDerWaalsContact CG2-CB 3.49Å; V147-E313 HydrophobicContact CG2-CG 3.75Å; Y303-E313 HydrophobicContact CD1-CB 3.91Å; Y303-E313 HydrophobicContact CD1-CG 4.13Å; Y303-E313 HydrophobicContact CE1-CB 4.03Å; Y303-E313 HydrophobicContact CE1-CG 3.78Å; M307-E313 HydrophobicContact SD-CB 3.77Å; G311-E313 VanDerWaalsContact CA-OE2 3.26Å; G311-E313 WeakPolarHBondContact CA-OE2 3.26Å; G311-E313 PolarHBondContact N-OE2 2.95Å; G311-E313 PolarHBondContact O-N 3.26Å; E313-L317 VanDerWaalsContact O-CB 3.24Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 2.92Å
314	N	97.3	Very high	96	Very high	10 Å²	10	16.4 Å²	16.4	5%	0.053	8%	0.076	C	C	.	.	H	α-helix	trans	-70.5	-39.4	178	66.8	-51.6	0	0	0	111.5	L285 G287 G312 S318	L285-N314 WeakPolarHBondContact O-CB 3.43Å; L285-N314 PolarHBondContact O-ND2 2.88Å; G287-N314 VanDerWaalsContact CA-CB 3.42Å; G312-N314 VanDerWaalsContact C-N 3.28Å; G312-N314 PolarHBondContact O-N 3.48Å; N314-S318 WeakPolarHBondContact O-CB 3.21Å; N314-S318 PolarHBondContact O-N 2.75Å; N314-S318 PolarHBondContact O-OG 3.03Å
315	I	98.3	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.3	-43.3	177.4	-54.4	-50.3	0	0	0	110.6	F246 L250 F252 A284 G312 L317 S318 L319	F246-I315 HydrophobicContact CB-CD1 3.66Å; F246-I315 HydrophobicContact CB-CG1 4.32Å; F246-I315 HydrophobicContact CD1-CD1 3.86Å; F246-I315 HydrophobicContact CD1-CG2 4.02Å; F246-I315 HydrophobicContact CD2-CG2 3.93Å; F246-I315 HydrophobicContact CE1-CG2 4.05Å; F246-I315 HydrophobicContact CE2-CG2 3.99Å; F246-I315 HydrophobicContact CG-CD1 3.86Å; F246-I315 HydrophobicContact CG-CG1 4.4Å; F246-I315 HydrophobicContact CG-CG2 3.98Å; F246-I315 HydrophobicContact CZ-CG2 4.06Å; L250-I315 HydrophobicContact CD2-CG2 4.26Å; L250-I315 HydrophobicContact CG-CG2 4.1Å; F252-I315 HydrophobicContact CB-CD1 4.35Å; F252-I315 HydrophobicContact CD2-CD1 4.13Å; A284-I315 HydrophobicContact CB-CD1 4.26Å; G312-I315 PolarHBondContact O-N 3.5Å; I315-L317 PolarHBondContact O-N 2.95Å; I315-S318 WeakPolarHBondContact O-CB 3.34Å; I315-S318 PolarHBondContact O-N 3.03Å; I315-L319 HydrophobicContact CG2-CD1 4.06Å; I315-L319 HydrophobicContact CG2-CG 4.35Å; I315-L319 WeakPolarHBondContact O-CG 3.37Å; I315-L319 PolarHBondContact O-N 3.12Å
316	E	98.2	Very high	95.7	Very high	3 Å²	3	15 Å²	15	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174.7	-165.5	-73.5	156	0	0	111.6	M307 G312 S318 L319 R320 T363 W367 R402	M307-E316 HydrophobicContact CE-CB 3.79Å; M307-E316 HydrophobicContact CE-CG 3.86Å; G312-E316 WeakPolarHBondContact O-CB 3.28Å; G312-E316 PolarHBondContact O-N 2.95Å; E316-S318 VanDerWaalsContact C-N 3.26Å; E316-S318 PolarHBondContact O-N 3.48Å; E316-L319 PolarHBondContact O-N 3.28Å; E316-R320 VanDerWaalsContact O-CB 3.28Å; E316-R320 WeakPolarHBondContact O-CB 3.31Å; E316-R320 PolarHBondContact O-N 3.41Å; E316-R320 IonicContact OE1-NE 3.85Å; E316-R320 PolarHBondContact OE1-NE 3.1Å; E316-R320 IonicContact OE2-CZ 2.65Å; E316-R320 IonicContact OE2-NE 2.94Å; E316-R320 PolarHBondContact OE2-NE 3.01Å; E316-R320 IonicContact OE2-NH2 3.29Å; E316-R320 PolarHBondContact OE2-NH2 3.47Å; E316-T363 HydrophobicContact CB-CG2 3.97Å; E316-T363 HydrophobicContact CG-CG2 4.27Å; E316-W367 PolarHBondContact OE1-NE1 2.82Å; E316-R402 IonicContact OE1-CZ 2.61Å; E316-R402 IonicContact OE1-NE 3.86Å; E316-R402 IonicContact OE1-NH2 3.75Å; E316-R402 PolarHBondContact OE1-NH2 2.81Å; E316-R402 IonicContact OE2-NH2 2.84Å; E316-R402 PolarHBondContact OE2-NH2 3.13Å
317	L	97.8	Very high	95.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.7	-40.8	177.3	179.8	60.9	0	0	0	110.8	I220 L285 F290 Y300 Y303 E313 I315 R320 T321	I220-L317 HydrophobicContact CD1-CD1 4.01Å; I220-L317 HydrophobicContact CD1-CD2 4.07Å; I220-L317 HydrophobicContact CD1-CG 3.94Å; L285-L317 HydrophobicContact CD1-CD2 3.82Å; L285-L317 HydrophobicContact CD1-CG 4.08Å; F290-L317 HydrophobicContact CE1-CD2 4.26Å; F290-L317 HydrophobicContact CE2-CD2 4.29Å; F290-L317 HydrophobicContact CZ-CD2 3.82Å; Y300-L317 HydrophobicContact CE2-CD1 3.83Å; Y303-L317 HydrophobicContact CE1-CB 4.45Å; Y303-L317 HydrophobicContact CE1-CD2 3.94Å; E313-L317 VanDerWaalsContact O-CB 3.24Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 2.92Å; I315-L317 PolarHBondContact O-N 2.95Å; L317-R320 VanDerWaalsContact CD1-NH2 3.32Å; L317-T321 WeakPolarHBondContact O-CB 3.46Å; L317-T321 PolarHBondContact O-N 2.97Å; L317-T321 PolarHBondContact O-OG1 3.38Å
318	S	97.7	Very high	95.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.7	-49.1	-179.6	-59.7	0	0	0	0	113.2	A284 L285 N314 I315 E316 R320 T321 W322	A284-S318 WeakPolarHBondContact CA-OG 3.47Å; L285-S318 PolarHBondContact N-OG 3.28Å; N314-S318 WeakPolarHBondContact O-CB 3.21Å; N314-S318 PolarHBondContact O-N 2.75Å; N314-S318 PolarHBondContact O-OG 3.03Å; I315-S318 WeakPolarHBondContact O-CB 3.34Å; I315-S318 PolarHBondContact O-N 3.03Å; E316-S318 VanDerWaalsContact C-N 3.26Å; E316-S318 PolarHBondContact O-N 3.48Å; S318-R320 VanDerWaalsContact C-N 3.34Å; S318-T321 PolarHBondContact O-N 2.97Å; S318-W322 PolarHBondContact O-N 2.93Å
319	L	97.9	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.7	-50.8	176.6	-73.4	172.3	0	0	0	110.1	F246 I315 E316 T321 W322 M323 T363 W367 F368 F414 Y417	F246-L319 HydrophobicContact CZ-CD2 3.96Å; F246-L319 HydrophobicContact CZ-CG 4.43Å; I315-L319 HydrophobicContact CG2-CD1 4.06Å; I315-L319 HydrophobicContact CG2-CG 4.35Å; I315-L319 WeakPolarHBondContact O-CG 3.37Å; I315-L319 PolarHBondContact O-N 3.12Å; E316-L319 PolarHBondContact O-N 3.28Å; L319-T321 PolarHBondContact O-N 3.27Å; L319-W322 PolarHBondContact O-N 2.96Å; L319-M323 HydrophobicContact CB-SD 4.25Å; L319-M323 HydrophobicContact CD2-SD 4.41Å; L319-M323 WeakPolarHBondContact O-CB 3.04Å; L319-M323 WeakPolarHBondContact O-CG 3.44Å; L319-M323 PolarHBondContact O-N 3.49Å; L319-T363 HydrophobicContact CD1-CG2 3.76Å; L319-W367 HydrophobicContact CB-CB 4.28Å; L319-W367 HydrophobicContact CB-CD2 4.29Å; L319-W367 HydrophobicContact CB-CG 4.07Å; L319-W367 HydrophobicContact CD1-CB 3.84Å; L319-W367 HydrophobicContact CD1-CG 4.23Å; L319-F368 HydrophobicContact CD1-CE1 4.06Å; L319-F414 HydrophobicContact CD2-CD2 4.07Å; L319-F414 HydrophobicContact CD2-CE2 3.65Å; L319-Y417 HydrophobicContact CD2-CD1 3.89Å; L319-Y417 HydrophobicContact CD2-CD2 4.29Å; L319-Y417 HydrophobicContact CD2-CE1 3.72Å; L319-Y417 HydrophobicContact CD2-CE2 4.12Å; L319-Y417 HydrophobicContact CD2-CG 4.19Å
320	R	96.9	Very high	96	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.6	-48.6	179.1	179.7	161.2	40.3	95.3	12.3	112.5	Y300 G302 E316 L317 S318 W322 M323 C324 W367	Y300-R320 HydrophobicContact CD2-CG 4.09Å; Y300-R320 VanDerWaalsContact CE2-NH1 3.25Å; Y300-R320 VanDerWaalsContact O-CD 3.26Å; Y300-R320 WeakPolarHBondContact O-CD 3.41Å; Y300-R320 PolarHBondContact O-NH1 3.14Å; G302-R320 PolarHBondContact O-NH1 3.21Å; G302-R320 PolarHBondContact O-NH2 3.29Å; E316-R320 VanDerWaalsContact O-CB 3.28Å; E316-R320 WeakPolarHBondContact O-CB 3.31Å; E316-R320 PolarHBondContact O-N 3.41Å; E316-R320 IonicContact OE1-NE 3.85Å; E316-R320 PolarHBondContact OE1-NE 3.1Å; E316-R320 IonicContact OE2-CZ 2.65Å; E316-R320 IonicContact OE2-NE 2.94Å; E316-R320 PolarHBondContact OE2-NE 3.01Å; E316-R320 IonicContact OE2-NH2 3.29Å; E316-R320 PolarHBondContact OE2-NH2 3.47Å; L317-R320 VanDerWaalsContact CD1-NH2 3.32Å; S318-R320 VanDerWaalsContact C-N 3.34Å; R320-W322 PolarHBondContact O-N 3.24Å; R320-M323 PolarHBondContact O-N 3.44Å; R320-C324 WeakPolarHBondContact O-CB 3.4Å; R320-C324 PolarHBondContact O-N 2.95Å; R320-C324 PolarHBondContact O-SG 3.43Å; R320-W367 HydrophobicContact CB-CH2 3.51Å; R320-W367 HydrophobicContact CB-CZ2 3.37Å; R320-W367 HydrophobicContact CB-CZ3 4.15Å; R320-W367 VanDerWaalsContact CD-CZ2 3.48Å; R320-W367 HydrophobicContact CG-CH2 3.39Å; R320-W367 HydrophobicContact CG-CZ2 3.54Å; R320-W367 HydrophobicContact CG-CZ3 4.31Å
321	T	96.1	Very high	96.1	Very high	1 Å²	1	5 Å²	5	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-56.9	-51.7	179.4	-66.3	0	0	0	0	110.2	I220 L317 S318 L319 G326 I328	I220-T321 HydrophobicContact CD1-CG2 4.15Å; I220-T321 VanDerWaalsContact CD1-OG1 3.26Å; I220-T321 WeakPolarHBondContact CD1-OG1 3.47Å; I220-T321 HydrophobicContact CG1-CG2 4.3Å; L317-T321 WeakPolarHBondContact O-CB 3.46Å; L317-T321 PolarHBondContact O-N 2.97Å; L317-T321 PolarHBondContact O-OG1 3.38Å; S318-T321 PolarHBondContact O-N 2.97Å; L319-T321 PolarHBondContact O-N 3.27Å; T321-G326 CarbonylContact O-C 3.44Å; T321-G326 WeakPolarHBondContact O-CA 3.31Å; T321-G326 PolarHBondContact O-N 3.42Å; T321-I328 HydrophobicContact CG2-CD1 4.42Å; T321-I328 HydrophobicContact CG2-CG1 3.83Å
322	W	95.8	Very high	96.1	Very high	9 Å²	9	5 Å²	5	3%	0.034	2%	0.024	C	C	.	.	H	α-helix	trans	-66.8	-45.6	-178.9	-81.5	114.2	0	0	0	113.8	P263 K281 S282 P283 S318 L319 R320 C324 G326 Q327 I328 W416 Y417 I421	P263-W322 HydrophobicContact CG-CH2 4.36Å; P263-W322 HydrophobicContact CG-CZ2 4.13Å; K281-W322 HydrophobicContact CB-CH2 4.15Å; K281-W322 HydrophobicContact CB-CZ2 4.25Å; K281-W322 HydrophobicContact CD-CH2 3.87Å; K281-W322 HydrophobicContact CG-CH2 4.12Å; S282-W322 WeakPolarHBondContact O-CZ2 3.44Å; S282-W322 PolarHBondContact O-NE1 2.98Å; P283-W322 VanDerWaalsContact O-CD1 3.27Å; P283-W322 PolarHBondContact O-NE1 2.84Å; S318-W322 PolarHBondContact O-N 2.93Å; L319-W322 PolarHBondContact O-N 2.96Å; R320-W322 PolarHBondContact O-N 3.24Å; W322-C324 VanDerWaalsContact C-N 3.29Å; W322-C324 PolarHBondContact O-N 3.47Å; W322-G326 VanDerWaalsContact CE3-O 3.27Å; W322-Q327 HydrophobicContact CE3-CB 4.25Å; W322-Q327 HydrophobicContact CH2-CB 3.42Å; W322-Q327 VanDerWaalsContact CH2-CB 3.42Å; W322-Q327 HydrophobicContact CZ2-CB 4.15Å; W322-Q327 HydrophobicContact CZ3-CB 3.5Å; W322-Q327 VanDerWaalsContact CZ3-CB 3.5Å; W322-I328 HydrophobicContact CZ2-CB 4.3Å; W322-W416 WeakPolarHBondContact O-CZ3 3.38Å; W322-Y417 HydrophobicContact CB-CD2 3.65Å; W322-Y417 HydrophobicContact CB-CE2 3.69Å; W322-Y417 AromaticContact CD1-CE2 3.81Å; W322-Y417 HydrophobicContact CG-CD2 4.29Å; W322-Y417 AromaticContact CG-CE2 3.91Å; W322-Y417 HydrophobicContact CG-CE2 3.91Å; W322-I421 HydrophobicContact CB-CG1 4.26Å; W322-I421 HydrophobicContact CB-CG2 4.37Å; W322-I421 HydrophobicContact CD2-CB 4.47Å; W322-I421 HydrophobicContact CD2-CD1 3.93Å; W322-I421 HydrophobicContact CD2-CG1 4.02Å; W322-I421 HydrophobicContact CD2-CG2 3.62Å; W322-I421 HydrophobicContact CE3-CD1 3.35Å; W322-I421 HydrophobicContact CE3-CG1 3.87Å; W322-I421 HydrophobicContact CE3-CG2 4.22Å; W322-I421 HydrophobicContact CG-CG1 4.22Å; W322-I421 HydrophobicContact CG-CG2 3.69Å; W322-I421 HydrophobicContact CH2-CD1 4.39Å; W322-I421 HydrophobicContact CZ2-CG2 4.37Å; W322-I421 HydrophobicContact CZ3-CD1 3.63Å
323	M	96.1	Very high	96.1	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-68.2	-31.5	-177.4	-68.7	170.7	64.5	0	0	111.3	L319 R320 Y325 W367 H370 C411 H412 F414 Y417	L319-M323 HydrophobicContact CB-SD 4.25Å; L319-M323 HydrophobicContact CD2-SD 4.41Å; L319-M323 WeakPolarHBondContact O-CB 3.04Å; L319-M323 WeakPolarHBondContact O-CG 3.44Å; L319-M323 PolarHBondContact O-N 3.49Å; R320-M323 PolarHBondContact O-N 3.44Å; M323-Y325 PolarHBondContact O-N 3.34Å; M323-W367 HydrophobicContact CB-CE3 4.41Å; M323-W367 HydrophobicContact CB-CZ3 4.23Å; M323-W367 HydrophobicContact CE-CE3 3.72Å; M323-W367 HydrophobicContact CE-CZ3 4.34Å; M323-W367 HydrophobicContact SD-CB 4.47Å; M323-W367 HydrophobicContact SD-CD2 4.48Å; M323-W367 HydrophobicContact SD-CE3 3.65Å; M323-W367 HydrophobicContact SD-CZ3 4.4Å; M323-H370 HydrophobicContact CE-CB 4.33Å; M323-C411 HydrophobicContact CB-CB 4.36Å; M323-C411 CarbonylContact O-C 3.59Å; M323-C411 VanDerWaalsContact O-CA 3.3Å; M323-C411 WeakPolarHBondContact O-CA 3.16Å; M323-C411 WeakPolarHBondContact O-CB 3.34Å; M323-H412 WeakPolarHBondContact CE-O 3.29Å; M323-H412 WeakPolarHBondContact O-CB 3.07Å; M323-H412 PolarHBondContact O-N 3.09Å; M323-F414 HydrophobicContact CE-CB 4.17Å; M323-F414 HydrophobicContact SD-CD2 4.23Å; M323-Y417 HydrophobicContact CG-CD2 4.3Å; M323-Y417 HydrophobicContact CG-CG 4.42Å
324	C	95.2	Very high	96.1	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.007	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	44.9	-177.5	-56.5	0	0	0	0	113.1	H218 R320 W322 G326 L409 C411	H218-C324 PolarHBondContact CD2-O 3.11Å; H218-C324 VanDerWaalsContact CD2-O 3.25Å; R320-C324 WeakPolarHBondContact O-CB 3.4Å; R320-C324 PolarHBondContact O-N 2.95Å; R320-C324 PolarHBondContact O-SG 3.43Å; W322-C324 VanDerWaalsContact C-N 3.29Å; W322-C324 PolarHBondContact O-N 3.47Å; C324-G326 VanDerWaalsContact C-N 3.27Å; C324-G326 PolarHBondContact O-N 3.29Å; C324-L409 HydrophobicContact CB-CD1 4.43Å; C324-C411 WeakPolarHBondContact CA-SG 2.84Å; C324-C411 HydrophobicContact CB-CB 4Å; C324-C411 WeakPolarHBondContact CB-SG 3.42Å; C324-C411 WeakPolarHBondContact SG-CB 3.24Å; C324-C411 CovalentContact SG-SG 2.03Å; C324-C411 PolarHBondContact SG-SG 3.37Å
325	Y	93.3	Very high	96	Very high	33 Å²	33	5.1 Å²	5.1	13%	0.129	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	31.8	177.2	-49.5	-80.1	0	0	0	114.3	Y214 V216 K217 H218 M323 N410 H412	Y214-Y325 VanDerWaalsContact CB-CD1 3.48Å; Y214-Y325 AromaticContact CD1-CE1 3.65Å; Y214-Y325 HydrophobicContact CD1-CE1 3.65Å; Y214-Y325 HydrophobicContact CD2-CE1 4.23Å; Y214-Y325 HydrophobicContact CG-CD1 4.11Å; Y214-Y325 AromaticContact CG-CE1 3.47Å; Y214-Y325 HydrophobicContact CG-CE1 3.47Å; Y214-Y325 VanDerWaalsContact CG-CE1 3.47Å; V216-Y325 CarbonylContact C-O 3.58Å; V216-Y325 VanDerWaalsContact CA-O 3.31Å; V216-Y325 WeakPolarHBondContact CA-O 3.37Å; V216-Y325 WeakPolarHBondContact CG1-O 3.01Å; K217-Y325 PolarHBondContact N-O 2.91Å; H218-Y325 PolarHBondContact N-O 3.3Å; M323-Y325 PolarHBondContact O-N 3.34Å; Y325-N410 WeakPolarHBondContact CE2-O 3.24Å; Y325-N410 VanDerWaalsContact CZ-O 3.27Å; Y325-N410 PolarHBondContact OH-O 2.94Å; Y325-H412 AromaticContact CD1-NE2 3.66Å; Y325-H412 AromaticContact CE1-CE1 3.47Å; Y325-H412 VanDerWaalsContact CE1-CE1 3.47Å; Y325-H412 WeakPolarHBondContact CE1-CE1 3.23Å; Y325-H412 AromaticContact CE1-NE2 3.27Å; Y325-H412 VanDerWaalsContact CE1-NE2 3.27Å; Y325-H412 WeakPolarHBondContact CE1-NE2 3.21Å; Y325-H412 AromaticContact CZ-CE1 3.99Å
326	G	94.1	Very high	95.9	Very high	3 Å²	3	5.1 Å²	5.1	3%	0.031	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	178.6	171.8	0	0	0	0	0	112.4	H218 T321 W322 C324	H218-G326 CarbonylContact O-C 3.6Å; H218-G326 WeakPolarHBondContact O-CA 3.38Å; T321-G326 CarbonylContact O-C 3.44Å; T321-G326 WeakPolarHBondContact O-CA 3.31Å; T321-G326 PolarHBondContact O-N 3.42Å; W322-G326 VanDerWaalsContact CE3-O 3.27Å; C324-G326 VanDerWaalsContact C-N 3.27Å; C324-G326 PolarHBondContact O-N 3.29Å
327	Q	94.4	Very high	95.8	Very high	11 Å²	11	5 Å²	5	5%	0.051	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	155.9	169.9	65	173.3	30.6	0	0	111.4	V216 H218 F219 I220 K281 W322 E329	V216-Q327 HydrophobicContact CG1-CB 4.18Å; V216-Q327 HydrophobicContact CG1-CG 3.86Å; H218-Q327 PolarHBondContact O-N 2.73Å; F219-Q327 HydrophobicContact CD1-CG 3.64Å; F219-Q327 HydrophobicContact CE1-CG 4.04Å; I220-Q327 PolarHBondContact N-O 2.7Å; K281-Q327 VanDerWaalsContact CE-OE1 3.23Å; W322-Q327 HydrophobicContact CE3-CB 4.25Å; W322-Q327 HydrophobicContact CH2-CB 3.42Å; W322-Q327 VanDerWaalsContact CH2-CB 3.42Å; W322-Q327 HydrophobicContact CZ2-CB 4.15Å; W322-Q327 HydrophobicContact CZ3-CB 3.5Å; W322-Q327 VanDerWaalsContact CZ3-CB 3.5Å; Q327-E329 VanDerWaalsContact NE2-CD 3.32Å; Q327-E329 PolarHBondContact NE2-OE1 3.47Å
328	I	96.3	Very high	95.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.8	178.1	-60.1	167	0	0	0	108.2	I220 K281 S282 L285 T321 W322	I220-I328 HydrophobicContact CB-CG1 4.36Å; I220-I328 WeakPolarHBondContact O-CA 3.18Å; K281-I328 CarbonylContact C-O 3.58Å; K281-I328 VanDerWaalsContact CA-O 3.29Å; K281-I328 WeakPolarHBondContact CA-O 3.37Å; S282-I328 PolarHBondContact N-O 3.35Å; L285-I328 HydrophobicContact CD1-CD1 4.11Å; L285-I328 HydrophobicContact CD1-CG1 4.46Å; L285-I328 HydrophobicContact CD2-CG2 3.46Å; L285-I328 VanDerWaalsContact CD2-CG2 3.46Å; L285-I328 HydrophobicContact CG-CD1 3.88Å; L285-I328 HydrophobicContact CG-CG1 4.32Å; L285-I328 HydrophobicContact CG-CG2 3.78Å; T321-I328 HydrophobicContact CG2-CD1 4.42Å; T321-I328 HydrophobicContact CG2-CG1 3.83Å; W322-I328 HydrophobicContact CZ2-CB 4.3Å
329	E	96	Very high	95.5	Very high	15 Å²	15	9.1 Å²	9.1	7%	0.07	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	176.7	-65	-175.9	170.9	0	0	112.2	Q182 I220 V221 S222 P279 Q280 K281 Q327 I331	Q182-E329 PolarHBondContact NE2-OE2 2.86Å; I220-E329 PolarHBondContact O-N 3.46Å; V221-E329 CarbonylContact C-O 3.5Å; V221-E329 VanDerWaalsContact CA-O 3.26Å; V221-E329 WeakPolarHBondContact CA-O 3.3Å; V221-E329 HydrophobicContact CG1-CB 4.44Å; S222-E329 PolarHBondContact N-O 3.34Å; P279-E329 HydrophobicContact CB-CB 4.38Å; P279-E329 WeakPolarHBondContact CB-OE2 3.49Å; Q280-E329 CarbonylContact O-C 3.2Å; Q280-E329 VanDerWaalsContact O-CA 3.23Å; Q280-E329 WeakPolarHBondContact O-CA 3.12Å; K281-E329 HydrophobicContact CG-CG 4.07Å; Q327-E329 VanDerWaalsContact NE2-CD 3.32Å; Q327-E329 PolarHBondContact NE2-OE1 3.47Å; E329-I331 HydrophobicContact CB-CD1 3.96Å
330	I	95.9	Very high	95.1	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.036	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.9	164.2	-53.7	-52	0	0	0	108.1	S222 L224 L243 P279 Q280 P332	S222-I330 CarbonylContact O-C 3.57Å; S222-I330 WeakPolarHBondContact O-CA 3.35Å; L224-I330 HydrophobicContact CD1-CG2 4.36Å; L243-I330 HydrophobicContact CD2-CB 4.25Å; L243-I330 HydrophobicContact CD2-CG1 3.85Å; P279-I330 WeakPolarHBondContact CA-O 3.35Å; Q280-I330 PolarHBondContact N-O 3.11Å; Q280-I330 PolarHBondContact O-N 3.01Å; I330-P332 WeakPolarHBondContact O-CD 2.98Å
331	I	95.7	Very high	94.5	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99	-176.5	-47.5	-51.2	0	0	0	109	P178 L179 Q182 V221 S222 L224 P279 E329 C333 S334	P178-I331 HydrophobicContact CB-CG2 4.09Å; L179-I331 HydrophobicContact CD1-CB 4.36Å; L179-I331 HydrophobicContact CD1-CG1 3.85Å; Q182-I331 HydrophobicContact CB-CD1 4.04Å; Q182-I331 HydrophobicContact CB-CG1 4.5Å; Q182-I331 HydrophobicContact CG-CD1 3.64Å; V221-I331 HydrophobicContact CB-CD1 4.18Å; V221-I331 HydrophobicContact CB-CG1 3.96Å; V221-I331 HydrophobicContact CG1-CD1 4.14Å; V221-I331 HydrophobicContact CG1-CG1 4.44Å; S222-I331 PolarHBondContact O-N 3.08Å; L224-I331 PolarHBondContact N-O 3.21Å; P279-I331 HydrophobicContact CB-CD1 3.74Å; P279-I331 HydrophobicContact CG-CD1 4Å; E329-I331 HydrophobicContact CB-CD1 3.96Å; I331-C333 PolarHBondContact O-N 2.94Å; I331-C333 VanDerWaalsContact O-N 3.17Å; I331-S334 WeakPolarHBondContact O-CB 3.46Å; I331-S334 PolarHBondContact O-N 2.85Å
332	P	93.9	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	-29.2	-173.8	-26.9	37.2	0	0	0	114.6	I237 L241 L276 Y278 Q280 I330 S334 R335	I237-P332 HydrophobicContact CG2-CB 4.25Å; L241-P332 HydrophobicContact CD1-CG 3.97Å; L276-P332 WeakPolarHBondContact O-CB 3.47Å; L276-P332 WeakPolarHBondContact O-CG 3.02Å; Y278-P332 VanDerWaalsContact O-CD 3.31Å; Y278-P332 WeakPolarHBondContact O-CD 2.99Å; Y278-P332 WeakPolarHBondContact O-CG 3.19Å; Q280-P332 HydrophobicContact CG-CG 4.32Å; I330-P332 WeakPolarHBondContact O-CD 2.98Å; P332-S334 VanDerWaalsContact C-N 3.27Å; P332-S334 PolarHBondContact O-N 3.37Å; P332-R335 WeakPolarHBondContact O-CG 3.03Å
333	C	94.3	Very high	92.8	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-17.4	175.2	-75.8	0	0	0	0	114	C46 P178 I331	C46-C333 WeakPolarHBondContact CA-SG 3.37Å; C46-C333 HydrophobicContact CB-CB 3.59Å; C46-C333 WeakPolarHBondContact CB-SG 3.48Å; C46-C333 WeakPolarHBondContact SG-CA 3.41Å; C46-C333 WeakPolarHBondContact SG-CB 3.25Å; C46-C333 CovalentContact SG-SG 2.05Å; C46-C333 PolarHBondContact SG-SG 2.69Å; P178-C333 HydrophobicContact CB-CB 3.92Å; P178-C333 HydrophobicContact CG-CB 4.28Å; I331-C333 PolarHBondContact O-N 2.94Å; I331-C333 VanDerWaalsContact O-N 3.17Å
334	S	96.4	Very high	92	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.4	171.4	-177.7	0	0	0	0	108.1	W175 P223 L224 I331 P332	W175-S334 VanDerWaalsContact O-CB 3.27Å; W175-S334 WeakPolarHBondContact O-CB 3.4Å; W175-S334 PolarHBondContact O-OG 3.06Å; P223-S334 CarbonylContact C-O 3.44Å; P223-S334 VanDerWaalsContact CA-O 3.31Å; P223-S334 WeakPolarHBondContact CA-O 3.31Å; P223-S334 WeakPolarHBondContact CB-O 3.49Å; P223-S334 WeakPolarHBondContact CB-OG 3.37Å; L224-S334 PolarHBondContact N-O 3.47Å; I331-S334 WeakPolarHBondContact O-CB 3.46Å; I331-S334 PolarHBondContact O-N 2.85Å; P332-S334 VanDerWaalsContact C-N 3.27Å; P332-S334 PolarHBondContact O-N 3.37Å
335	R	95.9	Very high	91.1	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.4	-176	-58.5	-178.4	-61.1	154.2	2.6	111.1	F41 L172 L224 L226 Y234 D235 P332	F41-R335 HydrophobicContact CD2-CG 4.43Å; F41-R335 VanDerWaalsContact CD2-NE 3.29Å; F41-R335 HydrophobicContact CE2-CG 4.46Å; F41-R335 VanDerWaalsContact CE2-NE 3.33Å; F41-R335 VanDerWaalsContact CG-CZ 3.44Å; L172-R335 HydrophobicContact CB-CB 4.27Å; L172-R335 WeakPolarHBondContact CB-O 3.5Å; L172-R335 HydrophobicContact CD1-CB 3.45Å; L172-R335 VanDerWaalsContact CD1-CB 3.45Å; L172-R335 HydrophobicContact CG-CB 4.46Å; L172-R335 PolarHBondContact N-O 3.4Å; L224-R335 HydrophobicContact CB-CG 4.39Å; L224-R335 HydrophobicContact CD2-CG 4.42Å; L226-R335 HydrophobicContact CD1-CB 4.03Å; L226-R335 HydrophobicContact CD1-CG 4.37Å; Y234-R335 PolarHBondContact O-NH1 2.95Å; D235-R335 IonicContact OD1-CZ 2.88Å; D235-R335 IonicContact OD1-NH1 3.96Å; D235-R335 PolarHBondContact OD1-NH1 2.81Å; D235-R335 IonicContact OD1-NH2 3.03Å; P332-R335 WeakPolarHBondContact O-CG 3.03Å
336	V	97.1	Very high	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.5	176.1	-178.7	0	0	0	0	109.2	V169 T171 W175 P223 L224 I225 L226 L289	V169-V336 HydrophobicContact CB-CG1 3.72Å; V169-V336 HydrophobicContact CG1-CG1 4.28Å; V169-V336 HydrophobicContact CG2-CG1 4.07Å; T171-V336 HydrophobicContact CG2-CG1 4.35Å; T171-V336 HydrophobicContact CG2-CG2 4.2Å; W175-V336 HydrophobicContact CE3-CG2 3.93Å; P223-V336 HydrophobicContact CB-CB 4.26Å; P223-V336 HydrophobicContact CB-CG2 3.75Å; P223-V336 HydrophobicContact CG-CB 4.14Å; P223-V336 HydrophobicContact CG-CG2 3.76Å; L224-V336 PolarHBondContact O-N 2.7Å; I225-V336 WeakPolarHBondContact CA-O 3.37Å; L226-V336 PolarHBondContact N-O 3.5Å; L289-V336 HydrophobicContact CD1-CB 3.89Å; L289-V336 HydrophobicContact CD1-CG1 3.61Å
337	G	95.7	Very high	90	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132	169.9	0	0	0	0	0	110.8	V169 E170 L226 Y234	V169-G337 CarbonylContact C-O 3.49Å; V169-G337 WeakPolarHBondContact CA-O 3.2Å; V169-G337 VanDerWaalsContact CB-O 3.29Å; V169-G337 WeakPolarHBondContact CB-O 3.22Å; E170-G337 PolarHBondContact N-O 2.86Å; E170-G337 PolarHBondContact O-N 3.45Å; L226-G337 CarbonylContact O-C 3.59Å; L226-G337 WeakPolarHBondContact O-CA 3.27Å; Y234-G337 WeakPolarHBondContact OH-CA 3.22Å
338	H	95.7	Very high	89.8	Confident	21 Å²	21	42.5 Å²	42.5	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.9	175.1	-166.4	-75.8	0	0	0	110.4	D166 H168 I225 L226 T228 F340	D166-H338 IonicContact OD2-CD2 3.81Å; D166-H338 IonicContact OD2-NE2 3.7Å; D166-H338 PolarHBondContact OD2-NE2 2.89Å; H168-H338 AromaticContact CD2-CE1 3.52Å; H168-H338 AromaticContact CD2-NE2 3.72Å; H168-H338 AromaticContact NE2-CE1 3.52Å; H168-H338 AromaticContact NE2-NE2 3.66Å; I225-H338 HydrophobicContact CG2-CB 3.61Å; L226-H338 PolarHBondContact O-N 2.77Å; T228-H338 WeakPolarHBondContact CG2-O 3.32Å; T228-H338 PolarHBondContact N-O 3.08Å; T228-H338 PolarHBondContact OG1-O 3.3Å; H338-F340 HydrophobicContact CB-CD2 4.4Å; H338-F340 HydrophobicContact CB-CE1 4.26Å; H338-F340 HydrophobicContact CB-CE2 3.94Å; H338-F340 HydrophobicContact CB-CZ 3.87Å; H338-F340 AromaticContact ND1-CD1 3.57Å; H338-F340 AromaticContact ND1-CE1 3.73Å; H338-F340 AromaticContact ND1-CG 3.9Å; H338-F340 PolarHBondContact ND1-N 2.7Å; H338-F340 PolarHBondContact O-N 3.32Å
339	M	93.3	Very high	89.3	Confident	67 Å²	67	47.4 Å²	47.4	33%	0.33	25%	0.246	S	C	.	.			trans	-88	83.9	171.4	-64.3	-176.4	64.3	0	0	110	I88 H168 T228 R341	I88-M339 HydrophobicContact CD1-CE 3.69Å; I88-M339 HydrophobicContact CD1-SD 4.21Å; I88-M339 HydrophobicContact CG1-CE 4.18Å; I88-M339 HydrophobicContact CG1-SD 4.25Å; I88-M339 HydrophobicContact CG2-SD 3.67Å; H168-M339 HydrophobicContact CB-CB 4.15Å; H168-M339 HydrophobicContact CB-SD 4.32Å; H168-M339 WeakPolarHBondContact O-CB 3.42Å; H168-M339 PolarHBondContact O-N 3.25Å; T228-M339 HydrophobicContact CG2-CG 4.02Å; T228-M339 WeakPolarHBondContact OG1-CA 3.12Å; T228-M339 WeakPolarHBondContact OG1-CG 3.42Å; M339-R341 PolarHBondContact O-N 3.25Å
340	F	88.2	Confident	88.9	Confident	86 Å²	86	52.8 Å²	52.8	38%	0.377	27%	0.273	S	S	.	.			trans	-63.7	130.1	174.3	-62	-72.8	0	0	0	110.7	I225 W254 H338	I225-F340 HydrophobicContact CG2-CZ 3.86Å; W254-F340 HydrophobicContact CZ2-CZ 4.41Å; H338-F340 HydrophobicContact CB-CD2 4.4Å; H338-F340 HydrophobicContact CB-CE1 4.26Å; H338-F340 HydrophobicContact CB-CE2 3.94Å; H338-F340 HydrophobicContact CB-CZ 3.87Å; H338-F340 AromaticContact ND1-CD1 3.57Å; H338-F340 AromaticContact ND1-CE1 3.73Å; H338-F340 AromaticContact ND1-CG 3.9Å; H338-F340 PolarHBondContact ND1-N 2.7Å; H338-F340 PolarHBondContact O-N 3.32Å
341	R	84.9	Confident	88.7	Confident	83 Å²	83	54 Å²	54	31%	0.313	29%	0.288	S	S	.	.			trans	-113.7	144.8	-179.4	-57.6	-179.7	-170.6	-166.1	-1.8	110.1	E84 M339 N343 P345	E84-R341 IonicContact OE1-CZ 2.7Å; E84-R341 VanDerWaalsContact OE1-CZ 3.29Å; E84-R341 IonicContact OE1-NH1 3.78Å; E84-R341 PolarHBondContact OE1-NH1 3.44Å; E84-R341 IonicContact OE1-NH2 2.63Å; E84-R341 PolarHBondContact OE1-NH2 3.17Å; E84-R341 IonicContact OE2-CZ 2.92Å; E84-R341 IonicContact OE2-NH1 2.71Å; E84-R341 PolarHBondContact OE2-NH1 3.47Å; E84-R341 IonicContact OE2-NH2 3.14Å; E84-R341 PolarHBondContact OE2-NH2 2.97Å; M339-R341 PolarHBondContact O-N 3.25Å; R341-N343 VanDerWaalsContact C-N 3.3Å; R341-N343 WeakPolarHBondContact CB-O 3.42Å; R341-P345 VanDerWaalsContact NH1-CG 3.33Å
342	N	79	Confident	88.5	Confident	160 Å²	160	58.3 Å²	58.3	86%	0.856	31%	0.306	S	S	*	.	S	Bend	trans	-72.4	-28	172.4	-63.4	-20.2	0	0	0	112
343	N	77.8	Confident	88.4	Confident	128 Å²	128	64.2 Å²	64.2	68%	0.684	33%	0.334	S	S	*	.	S	Bend	trans	-133.5	153	-176.8	-68.5	-46.8	0	0	0	111.4	R341	R341-N343 VanDerWaalsContact C-N 3.3Å; R341-N343 WeakPolarHBondContact CB-O 3.42Å
344	H	78.3	Confident	88.4	Confident	58 Å²	58	67.1 Å²	67.1	27%	0.269	35%	0.346	S	S	.	.			trans	-78.9	132.7	175.6	-61.7	52.8	0	0	0	108.4	W310 Y346 F348 K352	W310-H344 AromaticContact CE3-NE2 3.46Å; W310-H344 AromaticContact CH2-NE2 4Å; W310-H344 AromaticContact CZ3-NE2 3.45Å; W310-H344 WeakPolarHBondContact CZ3-NE2 3.26Å; H344-Y346 HydrophobicContact CB-CE2 4.39Å; H344-Y346 AromaticContact CD2-CZ 3.92Å; H344-Y346 PolarHBondContact O-N 3.44Å; H344-Y346 VanDerWaalsContact O-N 3.11Å; H344-F348 HydrophobicContact CB-CE2 4.1Å; H344-F348 AromaticContact CD2-CE2 3.86Å; H344-F348 AromaticContact CD2-CZ 3.62Å; H344-F348 AromaticContact CG-CE2 3.99Å; H344-K352 PolarHBondContact CE1-NZ 3.24Å
345	P	77.4	Confident	88.4	Confident	63 Å²	63	67.3 Å²	67.3	41%	0.409	35%	0.347	S	S	.	.	S	Bend	trans	-77.8	11.2	-178.3	37.4	-41.6	0	0	0	112.9	R341	R341-P345 VanDerWaalsContact NH1-CG 3.33Å
346	Y	81.1	Confident	88.3	Confident	51 Å²	51	67.6 Å²	67.6	20%	0.2	35%	0.349	C	S	.	.	S	Bend	trans	-142.3	161.8	-174.6	56.6	-105.2	0	0	0	111.4	I309 W310 H344 F348	I309-Y346 HydrophobicContact CG2-CD2 4.29Å; I309-Y346 HydrophobicContact CG2-CE2 3.74Å; W310-Y346 WeakPolarHBondContact CB-OH 3.43Å; H344-Y346 HydrophobicContact CB-CE2 4.39Å; H344-Y346 AromaticContact CD2-CZ 3.92Å; H344-Y346 PolarHBondContact O-N 3.44Å; H344-Y346 VanDerWaalsContact O-N 3.11Å; Y346-F348 HydrophobicContact CD2-CE2 4.26Å; Y346-F348 HydrophobicContact CE2-CE1 4.37Å; Y346-F348 AromaticContact CE2-CE2 3.89Å; Y346-F348 HydrophobicContact CE2-CE2 3.89Å; Y346-F348 AromaticContact CE2-CZ 3.77Å; Y346-F348 HydrophobicContact CE2-CZ 3.77Å
347	T	83.5	Confident	88.3	Confident	108 Å²	108	68.5 Å²	68.5	66%	0.663	35%	0.354	S	S	*	.			trans	-89.1	156.9	-178.9	55.2	0	0	0	0	111.9
348	F	88.8	Confident	88.3	Confident	21 Å²	21	69.6 Å²	69.6	9%	0.092	36%	0.358	C	S	.	.			trans	-110.5	111.9	170.4	-68.4	-101.9	0	0	0	106.7	I309 W310 H344 Y346 M350 G351 K352 T355	I309-F348 HydrophobicContact CB-CD1 4.15Å; I309-F348 HydrophobicContact CB-CE1 4.27Å; I309-F348 HydrophobicContact CG2-CD1 3.94Å; I309-F348 HydrophobicContact CG2-CE1 3.82Å; I309-F348 HydrophobicContact CG2-CZ 4.49Å; W310-F348 HydrophobicContact CB-CE1 4.41Å; H344-F348 HydrophobicContact CB-CE2 4.1Å; H344-F348 AromaticContact CD2-CE2 3.86Å; H344-F348 AromaticContact CD2-CZ 3.62Å; H344-F348 AromaticContact CG-CE2 3.99Å; Y346-F348 HydrophobicContact CD2-CE2 4.26Å; Y346-F348 HydrophobicContact CE2-CE1 4.37Å; Y346-F348 AromaticContact CE2-CE2 3.89Å; Y346-F348 HydrophobicContact CE2-CE2 3.89Å; Y346-F348 AromaticContact CE2-CZ 3.77Å; Y346-F348 HydrophobicContact CE2-CZ 3.77Å; F348-M350 PolarHBondContact O-N 3.31Å; F348-M350 VanDerWaalsContact O-N 3.12Å; F348-G351 VanDerWaalsContact CB-C 3.43Å; F348-G351 PolarHBondContact O-N 2.78Å; F348-K352 HydrophobicContact CB-CB 4.36Å; F348-K352 HydrophobicContact CD1-CB 4.42Å; F348-K352 HydrophobicContact CD2-CB 3.63Å; F348-K352 HydrophobicContact CD2-CG 3.97Å; F348-K352 HydrophobicContact CE1-CG 4.32Å; F348-K352 HydrophobicContact CE2-CB 3.95Å; F348-K352 HydrophobicContact CE2-CD 4.15Å; F348-K352 HydrophobicContact CE2-CG 3.74Å; F348-K352 VanDerWaalsContact CG-CA 3.5Å; F348-K352 HydrophobicContact CG-CB 3.89Å; F348-K352 HydrophobicContact CG-CG 4.38Å; F348-K352 HydrophobicContact CZ-CB 4.46Å; F348-K352 HydrophobicContact CZ-CG 3.92Å; F348-T355 HydrophobicContact CD1-CG2 3.78Å; F348-T355 HydrophobicContact CE1-CG2 4.21Å
349	P	86.7	Confident	88.4	Confident	103 Å²	103	68.6 Å²	68.6	67%	0.669	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.5	-172.8	-29.9	35.7	0	0	0	114.3
350	M	87.2	Confident	88.6	Confident	128 Å²	128	65.7 Å²	65.7	63%	0.631	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	10.4	178.3	-60	-63	-72.7	0	0	113.3	F348 F354	F348-M350 PolarHBondContact O-N 3.31Å; F348-M350 VanDerWaalsContact O-N 3.12Å; M350-F354 HydrophobicContact CB-CD1 3.7Å; M350-F354 HydrophobicContact CB-CE1 4.14Å; M350-F354 HydrophobicContact CE-CE1 4.36Å; M350-F354 WeakPolarHBondContact O-CB 3.26Å
351	G	91.7	Very high	88.9	Confident	33 Å²	33	61.6 Å²	61.6	34%	0.34	32%	0.322	S	S	.	.			trans	86.8	144.5	-170.1	0	0	0	0	0	113.1	F348 T355	F348-G351 VanDerWaalsContact CB-C 3.43Å; F348-G351 PolarHBondContact O-N 2.78Å; G351-T355 WeakPolarHBondContact O-CB 2.77Å; G351-T355 PolarHBondContact O-N 3.15Å; G351-T355 VanDerWaalsContact O-N 3.12Å; G351-T355 PolarHBondContact O-OG1 2.94Å
352	K	91.5	Very high	89.5	Confident	96 Å²	96	57.7 Å²	57.7	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-51.8	-175.3	178.1	-177.5	176.1	-165.4	0	111.5	H344 F348 T355 I356	H344-K352 PolarHBondContact CE1-NZ 3.24Å; F348-K352 HydrophobicContact CB-CB 4.36Å; F348-K352 HydrophobicContact CD1-CB 4.42Å; F348-K352 HydrophobicContact CD2-CB 3.63Å; F348-K352 HydrophobicContact CD2-CG 3.97Å; F348-K352 HydrophobicContact CE1-CG 4.32Å; F348-K352 HydrophobicContact CE2-CB 3.95Å; F348-K352 HydrophobicContact CE2-CD 4.15Å; F348-K352 HydrophobicContact CE2-CG 3.74Å; F348-K352 VanDerWaalsContact CG-CA 3.5Å; F348-K352 HydrophobicContact CG-CB 3.89Å; F348-K352 HydrophobicContact CG-CG 4.38Å; F348-K352 HydrophobicContact CZ-CB 4.46Å; F348-K352 HydrophobicContact CZ-CG 3.92Å; K352-T355 PolarHBondContact O-N 3.03Å; K352-I356 HydrophobicContact CD-CD1 4.29Å; K352-I356 HydrophobicContact CG-CD1 3.64Å; K352-I356 HydrophobicContact CG-CG1 4.42Å; K352-I356 WeakPolarHBondContact O-CG1 3.49Å; K352-I356 PolarHBondContact O-N 3.42Å
353	E	92.5	Very high	90.4	Very high	124 Å²	124	50.1 Å²	50.1	58%	0.579	27%	0.266	S	S	*	.	H	α-helix	trans	-60.5	-52.7	-176.9	-176.1	176.7	-179.2	0	0	111.5	T355 I356 L357	E353-T355 PolarHBondContact O-N 2.92Å; E353-I356 PolarHBondContact O-N 2.89Å; E353-L357 HydrophobicContact CG-CD1 3.8Å; E353-L357 HydrophobicContact CG-CG 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.28Å; E353-L357 VanDerWaalsContact O-CG 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.16Å
354	F	94	Very high	91.2	Very high	65 Å²	65	44 Å²	44	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-53.4	-43.9	175.8	-179.7	-88.1	0	0	0	112.2	M350 R358 I394	M350-F354 HydrophobicContact CB-CD1 3.7Å; M350-F354 HydrophobicContact CB-CE1 4.14Å; M350-F354 HydrophobicContact CE-CE1 4.36Å; M350-F354 WeakPolarHBondContact O-CB 3.26Å; F354-R358 VanDerWaalsContact O-CB 3.27Å; F354-R358 WeakPolarHBondContact O-CB 3.1Å; F354-R358 PolarHBondContact O-N 3.35Å; F354-I394 HydrophobicContact CD2-CD1 4Å; F354-I394 HydrophobicContact CD2-CG1 3.88Å; F354-I394 HydrophobicContact CD2-CG2 4.21Å; F354-I394 HydrophobicContact CE2-CB 4.38Å; F354-I394 HydrophobicContact CE2-CG1 3.99Å; F354-I394 HydrophobicContact CE2-CG2 3.84Å; F354-I394 HydrophobicContact CZ-CG2 4.08Å
355	T	95.2	Very high	92	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-49	-178.9	-60.2	0	0	0	0	112	N308 I309 F348 G351 K352 E353 R358 N359	N308-T355 HydrophobicContact CB-CG2 3.79Å; N308-T355 WeakPolarHBondContact O-CG2 3.44Å; I309-T355 HydrophobicContact CB-CG2 4.15Å; I309-T355 HydrophobicContact CG1-CG2 4.48Å; F348-T355 HydrophobicContact CD1-CG2 3.78Å; F348-T355 HydrophobicContact CE1-CG2 4.21Å; G351-T355 WeakPolarHBondContact O-CB 2.77Å; G351-T355 PolarHBondContact O-N 3.15Å; G351-T355 VanDerWaalsContact O-N 3.12Å; G351-T355 PolarHBondContact O-OG1 2.94Å; K352-T355 PolarHBondContact O-N 3.03Å; E353-T355 PolarHBondContact O-N 2.92Å; T355-R358 PolarHBondContact O-N 3.25Å; T355-N359 PolarHBondContact O-N 2.77Å; T355-N359 PolarHBondContact O-OD1 2.81Å
356	I	95.5	Very high	92.9	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.108	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-48.4	-179.1	-68.3	173.6	0	0	0	110.3	W310 K352 E353 R358 N359 H360	W310-I356 HydrophobicContact CE3-CD1 4.25Å; W310-I356 HydrophobicContact CE3-CG1 4.44Å; W310-I356 HydrophobicContact CZ3-CD1 3.98Å; K352-I356 HydrophobicContact CD-CD1 4.29Å; K352-I356 HydrophobicContact CG-CD1 3.64Å; K352-I356 HydrophobicContact CG-CG1 4.42Å; K352-I356 WeakPolarHBondContact O-CG1 3.49Å; K352-I356 PolarHBondContact O-N 3.42Å; E353-I356 PolarHBondContact O-N 2.89Å; I356-R358 VanDerWaalsContact C-N 3.3Å; I356-R358 PolarHBondContact O-N 3.33Å; I356-N359 PolarHBondContact O-N 3.11Å; I356-N359 VanDerWaalsContact O-N 3.1Å; I356-H360 VanDerWaalsContact CG2-CE1 3.47Å; I356-H360 WeakPolarHBondContact CG2-CE1 3.35Å; I356-H360 WeakPolarHBondContact CG2-NE2 3.46Å; I356-H360 PolarHBondContact O-CD2 3.02Å; I356-H360 VanDerWaalsContact O-CD2 3.26Å; I356-H360 PolarHBondContact O-N 3.4Å
357	L	95.9	Very high	93.6	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-37.7	179.9	-69.4	-177	0	0	0	112.2	E353 H360 K361 S388 E390 I394	E353-L357 HydrophobicContact CG-CD1 3.8Å; E353-L357 HydrophobicContact CG-CG 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.28Å; E353-L357 VanDerWaalsContact O-CG 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.16Å; L357-H360 PolarHBondContact O-N 3.05Å; L357-K361 VanDerWaalsContact O-CB 3.3Å; L357-K361 WeakPolarHBondContact O-CB 3.14Å; L357-K361 PolarHBondContact O-N 3.4Å; L357-S388 VanDerWaalsContact CD2-OG 3.24Å; L357-S388 WeakPolarHBondContact CD2-OG 3.28Å; L357-E390 HydrophobicContact CD1-CB 3.7Å; L357-I394 HydrophobicContact CB-CD1 3.48Å; L357-I394 VanDerWaalsContact CB-CD1 3.48Å; L357-I394 HydrophobicContact CD1-CD1 3.73Å; L357-I394 HydrophobicContact CG-CD1 4.26Å
358	R	96	Very high	94.2	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.087	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-49.6	172.2	-178.6	178.2	170.1	-79.7	4.6	111	E306 N308 F354 T355 I356 K361 R362 I394 A396	E306-R358 PolarHBondContact O-NH1 3.36Å; E306-R358 PolarHBondContact O-NH2 3.41Å; E306-R358 VanDerWaalsContact O-NH2 3.13Å; N308-R358 PolarHBondContact ND2-NH1 2.7Å; F354-R358 VanDerWaalsContact O-CB 3.27Å; F354-R358 WeakPolarHBondContact O-CB 3.1Å; F354-R358 PolarHBondContact O-N 3.35Å; T355-R358 PolarHBondContact O-N 3.25Å; I356-R358 VanDerWaalsContact C-N 3.3Å; I356-R358 PolarHBondContact O-N 3.33Å; R358-K361 WeakPolarHBondContact O-CB 3.37Å; R358-K361 PolarHBondContact O-N 3.24Å; R358-R362 WeakPolarHBondContact O-CG 3.36Å; R358-R362 PolarHBondContact O-N 3.21Å; R358-I394 HydrophobicContact CB-CG2 3.67Å; R358-I394 HydrophobicContact CG-CG2 4.23Å; R358-A396 PolarHBondContact NH2-O 3.26Å
359	N	97.2	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-39.9	-179	-63.4	-11.6	0	0	0	111.6	M307 N308 G311 T355 I356 K361 R362 T363	M307-N359 WeakPolarHBondContact CA-OD1 3.23Å; M307-N359 HydrophobicContact CG-CB 4.17Å; M307-N359 HydrophobicContact SD-CB 4.36Å; N308-N359 PolarHBondContact N-OD1 3.12Å; N308-N359 PolarHBondContact O-ND2 2.82Å; G311-N359 WeakPolarHBondContact O-CB 3.02Å; G311-N359 PolarHBondContact O-ND2 3.28Å; T355-N359 PolarHBondContact O-N 2.77Å; T355-N359 PolarHBondContact O-OD1 2.81Å; I356-N359 PolarHBondContact O-N 3.11Å; I356-N359 VanDerWaalsContact O-N 3.1Å; N359-K361 VanDerWaalsContact C-N 3.34Å; N359-K361 PolarHBondContact O-N 3.34Å; N359-R362 WeakPolarHBondContact O-CB 3.32Å; N359-R362 PolarHBondContact O-N 2.66Å; N359-T363 PolarHBondContact O-N 3.18Å; N359-T363 VanDerWaalsContact O-N 3.16Å; N359-T363 PolarHBondContact O-OG1 2.77Å
360	H	97.6	Very high	94.7	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.2	-69.6	-166.5	0	0	0	111.2	D249 L250 I356 L357 R362 T363 V364 F384	D249-H360 PolarHBondContact O-CE1 3.26Å; D249-H360 PolarHBondContact O-ND1 2.65Å; L250-H360 HydrophobicContact CB-CB 4.21Å; L250-H360 HydrophobicContact CD2-CB 4.1Å; I356-H360 VanDerWaalsContact CG2-CE1 3.47Å; I356-H360 WeakPolarHBondContact CG2-CE1 3.35Å; I356-H360 WeakPolarHBondContact CG2-NE2 3.46Å; I356-H360 PolarHBondContact O-CD2 3.02Å; I356-H360 VanDerWaalsContact O-CD2 3.26Å; I356-H360 PolarHBondContact O-N 3.4Å; L357-H360 PolarHBondContact O-N 3.05Å; H360-R362 VanDerWaalsContact C-N 3.33Å; H360-R362 PolarHBondContact O-N 2.84Å; H360-T363 WeakPolarHBondContact O-CB 3.27Å; H360-T363 PolarHBondContact O-N 3.03Å; H360-T363 VanDerWaalsContact O-N 3.11Å; H360-V364 PolarHBondContact O-N 2.87Å; H360-F384 HydrophobicContact CB-CE2 4.13Å; H360-F384 HydrophobicContact CB-CZ 4.22Å
361	K	95.8	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-42.5	176.9	-168.1	177.3	-173.3	173.1	0	112	L357 R358 N359 T363 V364 L365 Y385 S391 K392 I394 A396 D445	L357-K361 VanDerWaalsContact O-CB 3.3Å; L357-K361 WeakPolarHBondContact O-CB 3.14Å; L357-K361 PolarHBondContact O-N 3.4Å; R358-K361 WeakPolarHBondContact O-CB 3.37Å; R358-K361 PolarHBondContact O-N 3.24Å; N359-K361 VanDerWaalsContact C-N 3.34Å; N359-K361 PolarHBondContact O-N 3.34Å; K361-T363 VanDerWaalsContact C-N 3.3Å; K361-T363 PolarHBondContact O-N 2.92Å; K361-V364 VanDerWaalsContact O-CG2 3.3Å; K361-V364 WeakPolarHBondContact O-CG2 3.27Å; K361-V364 PolarHBondContact O-N 3.15Å; K361-L365 HydrophobicContact CG-CD1 3.95Å; K361-L365 HydrophobicContact CG-CG 4.25Å; K361-L365 WeakPolarHBondContact O-CB 3.27Å; K361-L365 VanDerWaalsContact O-CG 3.29Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 3.11Å; K361-Y385 VanDerWaalsContact CE-OH 3.24Å; K361-Y385 WeakPolarHBondContact CE-OH 3.49Å; K361-S391 WeakPolarHBondContact CD-O 3.29Å; K361-S391 PolarHBondContact NZ-O 3.02Å; K361-K392 PolarHBondContact NZ-O 2.87Å; K361-K392 VanDerWaalsContact NZ-O 3.13Å; K361-I394 WeakPolarHBondContact CD-O 3.45Å; K361-I394 WeakPolarHBondContact CE-O 3.5Å; K361-I394 PolarHBondContact NZ-O 3.42Å; K361-A396 HydrophobicContact CD-CB 4.21Å; K361-A396 HydrophobicContact CG-CB 4.19Å; K361-D445 WeakPolarHBondContact CE-OD1 3.39Å; K361-D445 IonicContact NZ-OD1 3.79Å; K361-D445 PolarHBondContact NZ-OD1 3.48Å
362	R	96.2	Very high	94.7	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-44.3	174.4	-68.4	178.8	66.7	72.3	7.5	111.8	D304 E306 R358 N359 H360 V366 A396 D398 I399	D304-R362 IonicContact OD1-CZ 3.45Å; D304-R362 IonicContact OD1-NE 3.28Å; D304-R362 IonicContact OD1-NH2 3.78Å; D304-R362 PolarHBondContact OD1-NH2 3.29Å; D304-R362 IonicContact OD2-CZ 3.24Å; D304-R362 VanDerWaalsContact OD2-CZ 3.26Å; D304-R362 IonicContact OD2-NE 2.72Å; D304-R362 PolarHBondContact OD2-NE 2.89Å; D304-R362 IonicContact OD2-NH2 2.88Å; D304-R362 PolarHBondContact OD2-NH2 2.95Å; E306-R362 VanDerWaalsContact CB-CZ 3.42Å; E306-R362 VanDerWaalsContact CB-NH2 3.26Å; R358-R362 WeakPolarHBondContact O-CG 3.36Å; R358-R362 PolarHBondContact O-N 3.21Å; N359-R362 WeakPolarHBondContact O-CB 3.32Å; N359-R362 PolarHBondContact O-N 2.66Å; H360-R362 VanDerWaalsContact C-N 3.33Å; H360-R362 PolarHBondContact O-N 2.84Å; R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 2.61Å; R362-A396 WeakPolarHBondContact CD-O 3.48Å; R362-A396 HydrophobicContact CG-CB 3.99Å; R362-A396 VanDerWaalsContact CG-O 3.23Å; R362-A396 WeakPolarHBondContact CG-O 3.37Å; R362-A396 PolarHBondContact NH1-O 3.44Å; R362-D398 VanDerWaalsContact CZ-O 3.29Å; R362-D398 PolarHBondContact NH1-O 3.39Å; R362-D398 PolarHBondContact NH2-O 3.28Å; R362-I399 HydrophobicContact CB-CG2 4.36Å; R362-I399 HydrophobicContact CG-CG2 4.16Å
363	T	97.5	Very high	94.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-49.8	179	-58.2	0	0	0	0	111.7	L250 M307 E316 L319 N359 H360 K361 V366 W367	L250-T363 HydrophobicContact CD2-CG2 3.61Å; M307-T363 WeakPolarHBondContact CE-OG1 3.5Å; E316-T363 HydrophobicContact CB-CG2 3.97Å; E316-T363 HydrophobicContact CG-CG2 4.27Å; L319-T363 HydrophobicContact CD1-CG2 3.76Å; N359-T363 PolarHBondContact O-N 3.18Å; N359-T363 VanDerWaalsContact O-N 3.16Å; N359-T363 PolarHBondContact O-OG1 2.77Å; H360-T363 WeakPolarHBondContact O-CB 3.27Å; H360-T363 PolarHBondContact O-N 3.03Å; H360-T363 VanDerWaalsContact O-N 3.11Å; K361-T363 VanDerWaalsContact C-N 3.3Å; K361-T363 PolarHBondContact O-N 2.92Å; T363-V366 PolarHBondContact O-N 3.41Å; T363-W367 VanDerWaalsContact O-CD1 3.31Å; T363-W367 PolarHBondContact O-N 2.73Å
364	V	96.2	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-35.6	-176.7	-58.4	0	0	0	0	112.9	L250 H360 K361 V366 F368 Q369 L381 F384	L250-V364 HydrophobicContact CD1-CG1 3.46Å; L250-V364 VanDerWaalsContact CD1-CG1 3.46Å; L250-V364 HydrophobicContact CD2-CG1 3.82Å; L250-V364 HydrophobicContact CG-CG1 4.31Å; H360-V364 PolarHBondContact O-N 2.87Å; K361-V364 VanDerWaalsContact O-CG2 3.3Å; K361-V364 WeakPolarHBondContact O-CG2 3.27Å; K361-V364 PolarHBondContact O-N 3.15Å; V364-V366 PolarHBondContact O-N 2.97Å; V364-F368 HydrophobicContact CB-CB 4.27Å; V364-F368 HydrophobicContact CB-CD1 4.45Å; V364-F368 HydrophobicContact CB-CD2 3.86Å; V364-F368 HydrophobicContact CB-CE2 4.31Å; V364-F368 HydrophobicContact CB-CG 3.94Å; V364-F368 HydrophobicContact CG1-CD1 4.27Å; V364-F368 HydrophobicContact CG1-CD2 3.7Å; V364-F368 HydrophobicContact CG1-CE1 4.2Å; V364-F368 HydrophobicContact CG1-CE2 3.63Å; V364-F368 HydrophobicContact CG1-CG 4.04Å; V364-F368 HydrophobicContact CG1-CZ 3.89Å; V364-F368 WeakPolarHBondContact O-CB 2.93Å; V364-F368 PolarHBondContact O-N 2.88Å; V364-Q369 PolarHBondContact O-N 2.72Å; V364-L381 HydrophobicContact CB-CD2 3.88Å; V364-L381 HydrophobicContact CG2-CD2 3.87Å; V364-F384 HydrophobicContact CB-CD1 4.46Å; V364-F384 HydrophobicContact CB-CG 4.49Å; V364-F384 HydrophobicContact CG1-CB 4.45Å; V364-F384 HydrophobicContact CG1-CD1 4.31Å; V364-F384 HydrophobicContact CG1-CD2 3.84Å; V364-F384 HydrophobicContact CG1-CE2 4.15Å; V364-F384 HydrophobicContact CG1-CG 3.94Å; V364-F384 HydrophobicContact CG1-CZ 4.49Å; V364-F384 HydrophobicContact CG2-CD1 3.74Å; V364-F384 HydrophobicContact CG2-CE1 3.71Å; V364-F384 HydrophobicContact CG2-CG 4.21Å; V364-F384 HydrophobicContact CG2-CZ 4.19Å
365	L	94.6	Very high	94.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-70.1	-8.6	176.9	-68.6	-179.5	0	0	0	113.9	K361 Q369 L381 A396 I399 R403 L441 D445	K361-L365 HydrophobicContact CG-CD1 3.95Å; K361-L365 HydrophobicContact CG-CG 4.25Å; K361-L365 WeakPolarHBondContact O-CB 3.27Å; K361-L365 VanDerWaalsContact O-CG 3.29Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 3.11Å; L365-Q369 PolarHBondContact O-OE1 3.13Å; L365-L381 HydrophobicContact CD2-CD1 4.49Å; L365-L381 HydrophobicContact CD2-CD2 4.47Å; L365-A396 HydrophobicContact CD1-CB 3.83Å; L365-I399 HydrophobicContact CB-CD1 3.64Å; L365-I399 HydrophobicContact CD1-CD1 4.04Å; L365-I399 HydrophobicContact CG-CD1 4.5Å; L365-R403 PolarHBondContact O-NE 2.93Å; L365-L441 HydrophobicContact CD2-CD2 4.38Å; L365-D445 HydrophobicContact CD1-CB 4.42Å; L365-D445 HydrophobicContact CD2-CB 4.14Å
366	V	95.7	Very high	93.9	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-103.8	-55.6	172.1	176.4	0	0	0	0	109.6	R362 T363 V364 H370 I399 R402 R403 P406	R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 2.61Å; T363-V366 PolarHBondContact O-N 3.41Å; V364-V366 PolarHBondContact O-N 2.97Å; V366-H370 PolarHBondContact O-N 3.39Å; V366-I399 HydrophobicContact CG2-CB 4.41Å; V366-R402 HydrophobicContact CG1-CB 4.28Å; V366-R402 HydrophobicContact CG2-CB 3.57Å; V366-R403 HydrophobicContact CG2-CG 4.19Å; V366-P406 HydrophobicContact CG1-CG 4.14Å
367	W	97.4	Very high	93.6	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-89.6	-38.9	-165.2	-63.4	102.3	0	0	0	113.3	E316 L319 R320 M323 T363 Q369 H370 I405 P406 F414	E316-W367 PolarHBondContact OE1-NE1 2.82Å; L319-W367 HydrophobicContact CB-CB 4.28Å; L319-W367 HydrophobicContact CB-CD2 4.29Å; L319-W367 HydrophobicContact CB-CG 4.07Å; L319-W367 HydrophobicContact CD1-CB 3.84Å; L319-W367 HydrophobicContact CD1-CG 4.23Å; R320-W367 HydrophobicContact CB-CH2 3.51Å; R320-W367 HydrophobicContact CB-CZ2 3.37Å; R320-W367 HydrophobicContact CB-CZ3 4.15Å; R320-W367 VanDerWaalsContact CD-CZ2 3.48Å; R320-W367 HydrophobicContact CG-CH2 3.39Å; R320-W367 HydrophobicContact CG-CZ2 3.54Å; R320-W367 HydrophobicContact CG-CZ3 4.31Å; M323-W367 HydrophobicContact CB-CE3 4.41Å; M323-W367 HydrophobicContact CB-CZ3 4.23Å; M323-W367 HydrophobicContact CE-CE3 3.72Å; M323-W367 HydrophobicContact CE-CZ3 4.34Å; M323-W367 HydrophobicContact SD-CB 4.47Å; M323-W367 HydrophobicContact SD-CD2 4.48Å; M323-W367 HydrophobicContact SD-CE3 3.65Å; M323-W367 HydrophobicContact SD-CZ3 4.4Å; T363-W367 VanDerWaalsContact O-CD1 3.31Å; T363-W367 PolarHBondContact O-N 2.73Å; W367-Q369 VanDerWaalsContact C-N 3.3Å; W367-Q369 PolarHBondContact O-N 3.37Å; W367-H370 PolarHBondContact O-N 3.13Å; W367-I405 HydrophobicContact CH2-CG2 4.32Å; W367-P406 HydrophobicContact CE3-CG 4.29Å; W367-P406 HydrophobicContact CH2-CG 3.89Å; W367-P406 HydrophobicContact CZ2-CG 4.45Å; W367-P406 HydrophobicContact CZ3-CB 4.33Å; W367-P406 HydrophobicContact CZ3-CG 3.82Å; W367-F414 WeakPolarHBondContact O-CB 3.37Å
368	F	95.5	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-27.3	178.8	-69.2	14.6	0	0	0	111.3	W248 L250 L319 V364 H370 L381 F384 F414	W248-F368 AromaticContact CE3-CE2 3.79Å; W248-F368 HydrophobicContact CE3-CE2 3.79Å; W248-F368 HydrophobicContact CE3-CZ 4.35Å; W248-F368 HydrophobicContact CZ3-CD2 4.17Å; W248-F368 AromaticContact CZ3-CE2 3.69Å; W248-F368 HydrophobicContact CZ3-CE2 3.69Å; W248-F368 HydrophobicContact CZ3-CZ 4.26Å; L250-F368 HydrophobicContact CD1-CE2 4.23Å; L250-F368 HydrophobicContact CD1-CZ 3.81Å; L319-F368 HydrophobicContact CD1-CE1 4.06Å; V364-F368 HydrophobicContact CB-CB 4.27Å; V364-F368 HydrophobicContact CB-CD1 4.45Å; V364-F368 HydrophobicContact CB-CD2 3.86Å; V364-F368 HydrophobicContact CB-CE2 4.31Å; V364-F368 HydrophobicContact CB-CG 3.94Å; V364-F368 HydrophobicContact CG1-CD1 4.27Å; V364-F368 HydrophobicContact CG1-CD2 3.7Å; V364-F368 HydrophobicContact CG1-CE1 4.2Å; V364-F368 HydrophobicContact CG1-CE2 3.63Å; V364-F368 HydrophobicContact CG1-CG 4.04Å; V364-F368 HydrophobicContact CG1-CZ 3.89Å; V364-F368 WeakPolarHBondContact O-CB 2.93Å; V364-F368 PolarHBondContact O-N 2.88Å; F368-H370 VanDerWaalsContact C-N 3.35Å; F368-L381 HydrophobicContact CB-CD2 4.17Å; F368-F384 HydrophobicContact CE2-CB 4.23Å; F368-F414 HydrophobicContact CB-CD1 4.29Å; F368-F414 AromaticContact CD1-CD1 3.92Å; F368-F414 HydrophobicContact CD1-CD1 3.92Å; F368-F414 HydrophobicContact CD1-CD2 4.02Å; F368-F414 AromaticContact CD1-CE1 3.62Å; F368-F414 HydrophobicContact CD1-CE1 3.62Å; F368-F414 AromaticContact CD1-CE2 3.75Å; F368-F414 HydrophobicContact CD1-CE2 3.75Å; F368-F414 HydrophobicContact CD1-CG 4.12Å; F368-F414 AromaticContact CD1-CZ 3.54Å; F368-F414 HydrophobicContact CD1-CZ 3.54Å; F368-F414 HydrophobicContact CD2-CE1 4.19Å; F368-F414 HydrophobicContact CE1-CD1 4.47Å; F368-F414 HydrophobicContact CE1-CD2 4.28Å; F368-F414 AromaticContact CE1-CE1 3.76Å; F368-F414 HydrophobicContact CE1-CE1 3.76Å; F368-F414 AromaticContact CE1-CE2 3.56Å; F368-F414 HydrophobicContact CE1-CE2 3.56Å; F368-F414 AromaticContact CE1-CZ 3.25Å; F368-F414 HydrophobicContact CE1-CZ 3.25Å; F368-F414 HydrophobicContact CE2-CE1 4.3Å; F368-F414 HydrophobicContact CE2-CZ 4.35Å; F368-F414 HydrophobicContact CG-CD1 4.09Å; F368-F414 AromaticContact CG-CE1 3.86Å; F368-F414 HydrophobicContact CG-CE1 3.86Å; F368-F414 HydrophobicContact CG-CZ 4.22Å; F368-F414 HydrophobicContact CZ-CE1 4.09Å; F368-F414 HydrophobicContact CZ-CE2 4.41Å; F368-F414 AromaticContact CZ-CZ 3.7Å; F368-F414 HydrophobicContact CZ-CZ 3.7Å
369	Q	91.3	Very high	93	Very high	50 Å²	50	36.8 Å²	36.8	23%	0.234	20%	0.195	C	C	.	.	S	Bend	trans	-77.7	-18.3	174.5	-67.8	-166	-53	0	0	113.6	V364 L365 W367 D371 L381	V364-Q369 PolarHBondContact O-N 2.72Å; L365-Q369 PolarHBondContact O-OE1 3.13Å; W367-Q369 VanDerWaalsContact C-N 3.3Å; W367-Q369 PolarHBondContact O-N 3.37Å; Q369-D371 PolarHBondContact O-N 3.23Å; Q369-L381 HydrophobicContact CG-CD1 3.6Å; Q369-L381 HydrophobicContact CG-CD2 4.38Å; Q369-L381 HydrophobicContact CG-CG 4.19Å
370	H	94.5	Very high	92.9	Very high	31 Å²	31	37.3 Å²	37.3	14%	0.144	20%	0.197	C	C	.	.			trans	-76.2	79.1	177.5	-172.7	64.7	0	0	0	110.6	M323 V366 W367 F368 P406 C411 H412 T413 F414	M323-H370 HydrophobicContact CE-CB 4.33Å; V366-H370 PolarHBondContact O-N 3.39Å; W367-H370 PolarHBondContact O-N 3.13Å; F368-H370 VanDerWaalsContact C-N 3.35Å; H370-P406 HydrophobicContact CB-CB 4.13Å; H370-P406 HydrophobicContact CB-CG 4.34Å; H370-P406 VanDerWaalsContact CE1-CB 3.45Å; H370-P406 WeakPolarHBondContact CE1-CB 3.49Å; H370-P406 VanDerWaalsContact CG-CB 3.42Å; H370-P406 VanDerWaalsContact ND1-CB 3.32Å; H370-P406 WeakPolarHBondContact ND1-CB 3.28Å; H370-C411 PolarHBondContact NE2-O 3.29Å; H370-H412 PolarHBondContact CD2-O 2.55Å; H370-H412 VanDerWaalsContact CD2-O 3.24Å; H370-T413 CarbonylContact O-C 3.47Å; H370-T413 VanDerWaalsContact O-CA 3.25Å; H370-T413 WeakPolarHBondContact O-CA 3.41Å; H370-F414 PolarHBondContact O-N 2.72Å
371	D	92.3	Very high	92.6	Very high	26 Å²	26	37.2 Å²	37.2	14%	0.139	20%	0.197	C	C	.	.			trans	-141.9	149.7	176.2	-148.3	-67.9	0	0	0	110.8	Q369 N373 A377 T415	Q369-D371 PolarHBondContact O-N 3.23Å; D371-N373 VanDerWaalsContact C-N 3.26Å; D371-N373 PolarHBondContact OD1-N 2.98Å; D371-N373 VanDerWaalsContact OD1-N 3.15Å; D371-A377 HydrophobicContact CB-CB 4.23Å; D371-T415 WeakPolarHBondContact OD2-CB 3.29Å; D371-T415 PolarHBondContact OD2-N 3.06Å; D371-T415 PolarHBondContact OD2-OG1 3.31Å
372	T	85.7	Confident	92.4	Very high	135 Å²	135	37.7 Å²	37.7	83%	0.828	20%	0.2	S	C	*	.	S	Bend	trans	-74.4	-23.4	176.6	52.4	0	0	0	0	111.4	T413	T372-T413 HydrophobicContact CG2-CG2 4.01Å
373	N	90.3	Very high	92.3	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.364	21%	0.205	S	C	.	.			trans	-103.2	106.3	176.2	-173.9	-17.8	0	0	0	110.8	D371 T375 L376 A377	D371-N373 VanDerWaalsContact C-N 3.26Å; D371-N373 PolarHBondContact OD1-N 2.98Å; D371-N373 VanDerWaalsContact OD1-N 3.15Å; N373-T375 PolarHBondContact O-N 3.21Å; N373-T375 VanDerWaalsContact O-N 3.15Å; N373-T375 WeakPolarHBondContact OD1-CA 3.46Å; N373-T375 WeakPolarHBondContact OD1-CB 3.31Å; N373-T375 PolarHBondContact OD1-N 3.44Å; N373-T375 PolarHBondContact OD1-OG1 3.11Å; N373-L376 HydrophobicContact CB-CB 4.21Å; N373-L376 HydrophobicContact CB-CD1 3.98Å; N373-L376 HydrophobicContact CB-CG 4.09Å; N373-L376 PolarHBondContact O-N 2.58Å; N373-L376 VanDerWaalsContact O-N 3.09Å; N373-A377 PolarHBondContact O-N 3.43Å
374	L	86.9	Confident	92.2	Very high	117 Å²	117	38.9 Å²	38.9	61%	0.613	21%	0.205	S	C	*	.	H	α-helix	trans	-59.7	-27.3	179.1	-172.7	63.4	0	0	0	113.1	K378	L374-K378 VanDerWaalsContact O-CG 3.31Å; L374-K378 WeakPolarHBondContact O-CG 3.3Å; L374-K378 PolarHBondContact O-N 3.07Å
375	T	89.2	Confident	92	Very high	104 Å²	104	39.2 Å²	39.2	64%	0.638	21%	0.206	S	C	*	.	H	α-helix	trans	-67.5	-45.4	176.5	-50	0	0	0	0	110.7	N373 K378 E379	N373-T375 PolarHBondContact O-N 3.21Å; N373-T375 VanDerWaalsContact O-N 3.15Å; N373-T375 WeakPolarHBondContact OD1-CA 3.46Å; N373-T375 WeakPolarHBondContact OD1-CB 3.31Å; N373-T375 PolarHBondContact OD1-N 3.44Å; N373-T375 PolarHBondContact OD1-OG1 3.11Å; T375-K378 PolarHBondContact O-N 3.06Å; T375-E379 PolarHBondContact O-N 3.49Å
376	L	90	Very high	92	Very high	47 Å²	47	41 Å²	41	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-43.9	176	-70.3	177.9	0	0	0	111.2	N373 K378 E379 Y380 T415	N373-L376 HydrophobicContact CB-CB 4.21Å; N373-L376 HydrophobicContact CB-CD1 3.98Å; N373-L376 HydrophobicContact CB-CG 4.09Å; N373-L376 PolarHBondContact O-N 2.58Å; N373-L376 VanDerWaalsContact O-N 3.09Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 3.41Å; L376-E379 WeakPolarHBondContact O-CB 3.36Å; L376-E379 PolarHBondContact O-N 2.87Å; L376-Y380 HydrophobicContact CB-CD2 4.47Å; L376-Y380 HydrophobicContact CB-CE2 3.84Å; L376-Y380 WeakPolarHBondContact O-CD2 3.49Å; L376-Y380 PolarHBondContact O-N 2.72Å; L376-T415 HydrophobicContact CD1-CG2 4.45Å
377	A	89.8	Confident	91.9	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-42.6	175.6	0	0	0	0	0	112.3	D371 N373 L381	D371-A377 HydrophobicContact CB-CB 4.23Å; N373-A377 PolarHBondContact O-N 3.43Å; A377-L381 WeakPolarHBondContact O-CG 3.44Å; A377-L381 PolarHBondContact O-N 3.34Å; A377-L381 VanDerWaalsContact O-N 3.16Å
378	K	89.2	Confident	91.7	Very high	103 Å²	103	43.8 Å²	43.8	45%	0.448	24%	0.235	S	C	.	.	H	α-helix	trans	-65.8	-40.6	174.7	-74.6	175.8	179.3	-176.6	0	112.1	L374 T375 L376 L381 S382	L374-K378 VanDerWaalsContact O-CG 3.31Å; L374-K378 WeakPolarHBondContact O-CG 3.3Å; L374-K378 PolarHBondContact O-N 3.07Å; T375-K378 PolarHBondContact O-N 3.06Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 3.41Å; K378-L381 PolarHBondContact O-N 3.14Å; K378-S382 WeakPolarHBondContact O-CB 3.47Å; K378-S382 PolarHBondContact O-N 3.35Å; K378-S382 PolarHBondContact O-OG 3.03Å
379	E	90.9	Very high	91.5	Very high	68 Å²	68	46.5 Å²	46.5	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-46.1	177.3	-165.1	-175.2	171.6	0	0	111.5	T375 L376 L381 S382 Y383 I434	T375-E379 PolarHBondContact O-N 3.49Å; L376-E379 WeakPolarHBondContact O-CB 3.36Å; L376-E379 PolarHBondContact O-N 2.87Å; E379-L381 PolarHBondContact O-N 3.16Å; E379-S382 CarbonylContact O-C 3.58Å; E379-S382 WeakPolarHBondContact O-CA 3.27Å; E379-S382 VanDerWaalsContact O-CB 3.29Å; E379-S382 WeakPolarHBondContact O-CB 3.37Å; E379-S382 PolarHBondContact O-N 3.42Å; E379-Y383 HydrophobicContact CG-CD2 4.48Å; E379-Y383 HydrophobicContact CG-CE2 3.69Å; E379-Y383 WeakPolarHBondContact O-CD2 3.4Å; E379-Y383 PolarHBondContact O-N 3.46Å; E379-Y383 PolarHBondContact OE1-OH 3.31Å; E379-I434 HydrophobicContact CG-CD1 4.14Å
380	Y	93.6	Very high	91.4	Very high	11 Å²	11	48.7 Å²	48.7	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-41.1	177.4	-58.9	-35.7	0	0	0	113	W248 L376 S382 Y383 F384 F414 T415 L418	W248-Y380 AromaticContact CH2-CD1 3.72Å; W248-Y380 HydrophobicContact CH2-CD1 3.72Å; W248-Y380 HydrophobicContact CH2-CE1 4.42Å; W248-Y380 HydrophobicContact CH2-CG 4.32Å; W248-Y380 HydrophobicContact CZ3-CD1 4.25Å; W248-Y380 HydrophobicContact CZ3-CG 4.5Å; L376-Y380 HydrophobicContact CB-CD2 4.47Å; L376-Y380 HydrophobicContact CB-CE2 3.84Å; L376-Y380 WeakPolarHBondContact O-CD2 3.49Å; L376-Y380 PolarHBondContact O-N 2.72Å; Y380-S382 VanDerWaalsContact C-N 3.29Å; Y380-Y383 HydrophobicContact CD1-CD2 4.26Å; Y380-Y383 HydrophobicContact CD1-CE2 4.37Å; Y380-Y383 PolarHBondContact O-N 3.02Å; Y380-F384 PolarHBondContact O-N 3.29Å; Y380-F414 HydrophobicContact CD1-CE1 4.49Å; Y380-F414 AromaticContact CD2-CD1 3.55Å; Y380-F414 HydrophobicContact CD2-CD1 3.55Å; Y380-F414 HydrophobicContact CD2-CE1 4.23Å; Y380-F414 AromaticContact CE2-CD1 3.95Å; Y380-F414 HydrophobicContact CE2-CD1 3.95Å; Y380-F414 AromaticContact CG-CD1 3.87Å; Y380-F414 HydrophobicContact CG-CD1 3.87Å; Y380-F414 HydrophobicContact CG-CE1 4.08Å; Y380-T415 WeakPolarHBondContact CE2-OG1 3.46Å; Y380-T415 PolarHBondContact OH-OG1 3.21Å; Y380-L418 HydrophobicContact CD1-CD1 4.2Å; Y380-L418 HydrophobicContact CE1-CD1 3.66Å
381	L	92.7	Very high	91.3	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-35.9	171.4	-72.9	-179.8	0	0	0	112.1	V364 L365 F368 Q369 A377 K378 E379 Y383 F384 Y385 L441	V364-L381 HydrophobicContact CB-CD2 3.88Å; V364-L381 HydrophobicContact CG2-CD2 3.87Å; L365-L381 HydrophobicContact CD2-CD1 4.49Å; L365-L381 HydrophobicContact CD2-CD2 4.47Å; F368-L381 HydrophobicContact CB-CD2 4.17Å; Q369-L381 HydrophobicContact CG-CD1 3.6Å; Q369-L381 HydrophobicContact CG-CD2 4.38Å; Q369-L381 HydrophobicContact CG-CG 4.19Å; A377-L381 WeakPolarHBondContact O-CG 3.44Å; A377-L381 PolarHBondContact O-N 3.34Å; A377-L381 VanDerWaalsContact O-N 3.16Å; K378-L381 PolarHBondContact O-N 3.14Å; E379-L381 PolarHBondContact O-N 3.16Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; L381-F384 PolarHBondContact O-N 3.21Å; L381-Y385 HydrophobicContact CB-CD2 4.26Å; L381-Y385 HydrophobicContact CB-CE2 4.26Å; L381-Y385 WeakPolarHBondContact O-CB 3.4Å; L381-Y385 WeakPolarHBondContact O-CD2 3.02Å; L381-Y385 PolarHBondContact O-N 3.42Å; L381-L441 HydrophobicContact CD1-CD2 3.88Å
382	S	91.8	Very high	91.1	Very high	10 Å²	10	48 Å²	48	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-38.3	178	-56.2	0	0	0	0	111.4	K378 E379 Y380 T386	K378-S382 WeakPolarHBondContact O-CB 3.47Å; K378-S382 PolarHBondContact O-N 3.35Å; K378-S382 PolarHBondContact O-OG 3.03Å; E379-S382 CarbonylContact O-C 3.58Å; E379-S382 WeakPolarHBondContact O-CA 3.27Å; E379-S382 VanDerWaalsContact O-CB 3.29Å; E379-S382 WeakPolarHBondContact O-CB 3.37Å; E379-S382 PolarHBondContact O-N 3.42Å; Y380-S382 VanDerWaalsContact C-N 3.29Å; S382-T386 VanDerWaalsContact O-CB 3.27Å; S382-T386 WeakPolarHBondContact O-CB 3.09Å; S382-T386 PolarHBondContact O-N 3.36Å; S382-T386 PolarHBondContact O-OG1 2.61Å
383	Y	93.9	Very high	91.2	Very high	27 Å²	27	48.4 Å²	48.4	11%	0.106	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-51.4	170.9	-65.4	-45.9	0	0	0	111.3	W248 E379 Y380 L381 Y385 T386 V387 A429 I432 I434	W248-Y383 HydrophobicContact CE3-CD2 4.41Å; W248-Y383 HydrophobicContact CE3-CG 4.44Å; W248-Y383 AromaticContact CH2-CD2 3.98Å; W248-Y383 HydrophobicContact CH2-CD2 3.98Å; W248-Y383 HydrophobicContact CZ2-CD2 4.2Å; W248-Y383 HydrophobicContact CZ3-CD2 4.09Å; E379-Y383 HydrophobicContact CG-CD2 4.48Å; E379-Y383 HydrophobicContact CG-CE2 3.69Å; E379-Y383 WeakPolarHBondContact O-CD2 3.4Å; E379-Y383 PolarHBondContact O-N 3.46Å; E379-Y383 PolarHBondContact OE1-OH 3.31Å; Y380-Y383 HydrophobicContact CD1-CD2 4.26Å; Y380-Y383 HydrophobicContact CD1-CE2 4.37Å; Y380-Y383 PolarHBondContact O-N 3.02Å; L381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-Y385 PolarHBondContact O-N 3.24Å; Y383-T386 PolarHBondContact O-N 2.74Å; Y383-V387 WeakPolarHBondContact O-CG2 3.3Å; Y383-V387 PolarHBondContact O-N 2.03Å; Y383-V387 VanDerWaalsContact O-N 3.17Å; Y383-A429 HydrophobicContact CD2-CB 4.03Å; Y383-A429 HydrophobicContact CE1-CB 4.44Å; Y383-A429 HydrophobicContact CE2-CB 3.84Å; Y383-A429 HydrophobicContact CG-CB 4.47Å; Y383-I432 HydrophobicContact CD1-CB 3.74Å; Y383-I432 HydrophobicContact CD1-CD1 4.18Å; Y383-I432 HydrophobicContact CD1-CG2 3.79Å; Y383-I432 HydrophobicContact CE1-CB 4.18Å; Y383-I432 HydrophobicContact CG-CD1 4.37Å; Y383-I434 HydrophobicContact CD1-CD1 4Å; Y383-I434 HydrophobicContact CD1-CG1 3.87Å; Y383-I434 HydrophobicContact CE1-CD1 3.67Å; Y383-I434 HydrophobicContact CE1-CG1 3.82Å
384	F	94.6	Very high	91.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-50.9	176.8	168.9	-102.1	0	0	0	112.4	W248 L250 H360 V364 F368 Y380 L381 T386 V387 S388 S391	W248-F384 WeakPolarHBondContact O-CA 3.2Å; W248-F384 VanDerWaalsContact O-CD2 3.26Å; W248-F384 WeakPolarHBondContact O-CD2 3.4Å; L250-F384 HydrophobicContact CD1-CD2 3.72Å; L250-F384 HydrophobicContact CD1-CE2 3.99Å; H360-F384 HydrophobicContact CB-CE2 4.13Å; H360-F384 HydrophobicContact CB-CZ 4.22Å; V364-F384 HydrophobicContact CB-CD1 4.46Å; V364-F384 HydrophobicContact CB-CG 4.49Å; V364-F384 HydrophobicContact CG1-CB 4.45Å; V364-F384 HydrophobicContact CG1-CD1 4.31Å; V364-F384 HydrophobicContact CG1-CD2 3.84Å; V364-F384 HydrophobicContact CG1-CE2 4.15Å; V364-F384 HydrophobicContact CG1-CG 3.94Å; V364-F384 HydrophobicContact CG1-CZ 4.49Å; V364-F384 HydrophobicContact CG2-CD1 3.74Å; V364-F384 HydrophobicContact CG2-CE1 3.71Å; V364-F384 HydrophobicContact CG2-CG 4.21Å; V364-F384 HydrophobicContact CG2-CZ 4.19Å; F368-F384 HydrophobicContact CE2-CB 4.23Å; Y380-F384 PolarHBondContact O-N 3.29Å; L381-F384 PolarHBondContact O-N 3.21Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.92Å; F384-V387 VanDerWaalsContact O-CG2 3.28Å; F384-V387 WeakPolarHBondContact O-CG2 3.35Å; F384-V387 PolarHBondContact O-N 2.69Å; F384-S388 WeakPolarHBondContact O-CB 3.3Å; F384-S388 PolarHBondContact O-N 2.99Å; F384-S391 WeakPolarHBondContact CE1-OG 3.14Å
385	Y	93	Very high	91.4	Very high	7 Å²	7	43 Å²	43	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-19.4	-178.1	-74.1	-51.7	0	0	0	114.2	K361 L381 Y383 P389 S391 K392 D445	K361-Y385 VanDerWaalsContact CE-OH 3.24Å; K361-Y385 WeakPolarHBondContact CE-OH 3.49Å; L381-Y385 HydrophobicContact CB-CD2 4.26Å; L381-Y385 HydrophobicContact CB-CE2 4.26Å; L381-Y385 WeakPolarHBondContact O-CB 3.4Å; L381-Y385 WeakPolarHBondContact O-CD2 3.02Å; L381-Y385 PolarHBondContact O-N 3.42Å; Y383-Y385 PolarHBondContact O-N 3.24Å; Y385-P389 VanDerWaalsContact O-CA 3.3Å; Y385-P389 WeakPolarHBondContact O-CA 3.16Å; Y385-S391 VanDerWaalsContact CD1-OG 3.23Å; Y385-S391 WeakPolarHBondContact CD1-OG 3.34Å; Y385-S391 WeakPolarHBondContact CE1-OG 3.3Å; Y385-K392 HydrophobicContact CD1-CG 3.53Å; Y385-K392 HydrophobicContact CE1-CG 4.01Å; Y385-K392 HydrophobicContact CG-CG 4.04Å; Y385-D445 PolarHBondContact OH-OD2 2.91Å; Y385-D445 VanDerWaalsContact OH-OD2 3.12Å
386	T	93.2	Very high	91.6	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-74.2	-42.3	172.2	-62.2	0	0	0	0	110.6	S382 Y383 F384 I432 V433	S382-T386 VanDerWaalsContact O-CB 3.27Å; S382-T386 WeakPolarHBondContact O-CB 3.09Å; S382-T386 PolarHBondContact O-N 3.36Å; S382-T386 PolarHBondContact O-OG1 2.61Å; Y383-T386 PolarHBondContact O-N 2.74Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.92Å; T386-I432 HydrophobicContact CG2-CG2 3.7Å; T386-V433 WeakPolarHBondContact CG2-O 3.12Å
387	V	93.6	Very high	91.7	Very high	63 Å²	63	38.1 Å²	38.1	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-84.6	-18.9	179.6	-58.7	0	0	0	0	113.4	W248 D249 Y383 F384 I432	W248-V387 HydrophobicContact CB-CG2 3.89Å; D249-V387 HydrophobicContact CB-CB 4.44Å; D249-V387 HydrophobicContact CB-CG2 3.72Å; Y383-V387 WeakPolarHBondContact O-CG2 3.3Å; Y383-V387 PolarHBondContact O-N 2.03Å; Y383-V387 VanDerWaalsContact O-N 3.17Å; F384-V387 VanDerWaalsContact O-CG2 3.28Å; F384-V387 WeakPolarHBondContact O-CG2 3.35Å; F384-V387 PolarHBondContact O-N 2.69Å; V387-I432 HydrophobicContact CG1-CD1 3.9Å; V387-I432 HydrophobicContact CG1-CG1 4.31Å; V387-I432 HydrophobicContact CG1-CG2 4.3Å
388	S	93.5	Very high	91.8	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.224	C	C	.	.			trans	-132	67.7	177.8	-174.4	0	0	0	0	111.4	L357 F384 E390 S391	L357-S388 VanDerWaalsContact CD2-OG 3.24Å; L357-S388 WeakPolarHBondContact CD2-OG 3.28Å; F384-S388 WeakPolarHBondContact O-CB 3.3Å; F384-S388 PolarHBondContact O-N 2.99Å; S388-E390 VanDerWaalsContact C-N 3.32Å; S388-E390 PolarHBondContact O-N 2.92Å; S388-S391 WeakPolarHBondContact O-CB 3.27Å; S388-S391 PolarHBondContact O-N 3.16Å; S388-S391 PolarHBondContact O-OG 2.9Å
389	P	91.2	Very high	92.1	Very high	57 Å²	57	36.3 Å²	36.3	37%	0.37	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-64.4	-32	-174.5	24.3	-32.7	0	0	0	113.8	Y385 S391 K392	Y385-P389 VanDerWaalsContact O-CA 3.3Å; Y385-P389 WeakPolarHBondContact O-CA 3.16Å; P389-S391 PolarHBondContact O-N 3.45Å; P389-K392 WeakPolarHBondContact O-CB 3.15Å; P389-K392 WeakPolarHBondContact O-CG 3.46Å; P389-K392 PolarHBondContact O-N 3.48Å; P389-K392 VanDerWaalsContact O-N 3.14Å
390	E	90.7	Very high	92.3	Very high	96 Å²	96	41 Å²	41	45%	0.449	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63.7	-25.6	179.7	-62.4	76	-163	0	0	112.2	L357 S388 K392 I393	L357-E390 HydrophobicContact CD1-CB 3.7Å; S388-E390 VanDerWaalsContact C-N 3.32Å; S388-E390 PolarHBondContact O-N 2.92Å; E390-K392 PolarHBondContact O-N 3.23Å; E390-I393 VanDerWaalsContact O-CG1 3.27Å; E390-I393 WeakPolarHBondContact O-CG1 3.41Å; E390-I393 PolarHBondContact O-N 3.42Å
391	S	90.9	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.3	177.5	70.2	0	0	0	0	112.8	K361 F384 Y385 S388 P389 I393 I394	K361-S391 WeakPolarHBondContact CD-O 3.29Å; K361-S391 PolarHBondContact NZ-O 3.02Å; F384-S391 WeakPolarHBondContact CE1-OG 3.14Å; Y385-S391 VanDerWaalsContact CD1-OG 3.23Å; Y385-S391 WeakPolarHBondContact CD1-OG 3.34Å; Y385-S391 WeakPolarHBondContact CE1-OG 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.27Å; S388-S391 PolarHBondContact O-N 3.16Å; S388-S391 PolarHBondContact O-OG 2.9Å; P389-S391 PolarHBondContact O-N 3.45Å; S391-I393 VanDerWaalsContact C-N 3.32Å; S391-I393 PolarHBondContact O-N 3.32Å; S391-I394 PolarHBondContact O-N 3.5Å
392	K	87.8	Confident	92.4	Very high	43 Å²	43	44 Å²	44	19%	0.187	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.4	-43.6	179.1	-68.1	179.5	-178.6	-179.3	0	111.9	K361 Y385 P389 E390 I394 D437 T442	K361-K392 PolarHBondContact NZ-O 2.87Å; K361-K392 VanDerWaalsContact NZ-O 3.13Å; Y385-K392 HydrophobicContact CD1-CG 3.53Å; Y385-K392 HydrophobicContact CE1-CG 4.01Å; Y385-K392 HydrophobicContact CG-CG 4.04Å; P389-K392 WeakPolarHBondContact O-CB 3.15Å; P389-K392 WeakPolarHBondContact O-CG 3.46Å; P389-K392 PolarHBondContact O-N 3.48Å; P389-K392 VanDerWaalsContact O-N 3.14Å; E390-K392 PolarHBondContact O-N 3.23Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.87Å; K392-D437 PolarHBondContact NZ-O 3.18Å; K392-T442 HydrophobicContact CB-CG2 4.16Å; K392-T442 WeakPolarHBondContact O-CG2 3.28Å
393	I	88.5	Confident	92.5	Very high	143 Å²	143	47.3 Å²	47.3	73%	0.733	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-85	-4.3	-175.5	62.4	166.1	0	0	0	113.8	E390 S391	E390-I393 VanDerWaalsContact O-CG1 3.27Å; E390-I393 WeakPolarHBondContact O-CG1 3.41Å; E390-I393 PolarHBondContact O-N 3.42Å; S391-I393 VanDerWaalsContact C-N 3.32Å; S391-I393 PolarHBondContact O-N 3.32Å
394	I	90.4	Very high	92.6	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.051	27%	0.273	C	S	.	.	S	Bend	trans	-92.8	124	-177.7	-64.3	173.6	0	0	0	109.2	F354 L357 R358 K361 S391 K392	F354-I394 HydrophobicContact CD2-CD1 4Å; F354-I394 HydrophobicContact CD2-CG1 3.88Å; F354-I394 HydrophobicContact CD2-CG2 4.21Å; F354-I394 HydrophobicContact CE2-CB 4.38Å; F354-I394 HydrophobicContact CE2-CG1 3.99Å; F354-I394 HydrophobicContact CE2-CG2 3.84Å; F354-I394 HydrophobicContact CZ-CG2 4.08Å; L357-I394 HydrophobicContact CB-CD1 3.48Å; L357-I394 VanDerWaalsContact CB-CD1 3.48Å; L357-I394 HydrophobicContact CD1-CD1 3.73Å; L357-I394 HydrophobicContact CG-CD1 4.26Å; R358-I394 HydrophobicContact CB-CG2 3.67Å; R358-I394 HydrophobicContact CG-CG2 4.23Å; K361-I394 WeakPolarHBondContact CD-O 3.45Å; K361-I394 WeakPolarHBondContact CE-O 3.5Å; K361-I394 PolarHBondContact NZ-O 3.42Å; S391-I394 PolarHBondContact O-N 3.5Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.87Å
395	P	91.2	Very high	92.6	Very high	62 Å²	62	52.1 Å²	52.1	40%	0.403	28%	0.277	S	S	.	.			trans	-73.3	129.9	176.1	28.4	-32.8	0	0	0	110.8	G397	P395-G397 VanDerWaalsContact C-N 3.25Å; P395-G397 PolarHBondContact O-N 3.05Å
396	A	92.5	Very high	92.7	Very high	7 Å²	7	51.9 Å²	51.9	6%	0.058	28%	0.276	C	S	.	.			trans	-71.6	-19.5	179.5	0	0	0	0	0	113.2	R358 K361 R362 L365 I399	R358-A396 PolarHBondContact NH2-O 3.26Å; K361-A396 HydrophobicContact CD-CB 4.21Å; K361-A396 HydrophobicContact CG-CB 4.19Å; R362-A396 WeakPolarHBondContact CD-O 3.48Å; R362-A396 HydrophobicContact CG-CB 3.99Å; R362-A396 VanDerWaalsContact CG-O 3.23Å; R362-A396 WeakPolarHBondContact CG-O 3.37Å; R362-A396 PolarHBondContact NH1-O 3.44Å; L365-A396 HydrophobicContact CD1-CB 3.83Å; A396-I399 HydrophobicContact CB-CG2 4.39Å
397	G	92.5	Very high	92.7	Very high	40 Å²	40	55.1 Å²	55.1	41%	0.412	29%	0.292	S	S	.	.			trans	74.7	-167.5	-168.2	0	0	0	0	0	112	P395 I399	P395-G397 VanDerWaalsContact C-N 3.25Å; P395-G397 PolarHBondContact O-N 3.05Å; G397-I399 PolarHBondContact O-N 3.26Å
398	D	93.3	Very high	92.7	Very high	65 Å²	65	56 Å²	56	35%	0.348	30%	0.301	S	S	.	.			trans	-69.7	122.4	-177.9	-171.6	-2.9	0	0	0	111.4	R362 R400	R362-D398 VanDerWaalsContact CZ-O 3.29Å; R362-D398 PolarHBondContact NH1-O 3.39Å; R362-D398 PolarHBondContact NH2-O 3.28Å; D398-R400 VanDerWaalsContact OD1-CB 3.28Å; D398-R400 WeakPolarHBondContact OD1-CB 3.13Å; D398-R400 VanDerWaalsContact OD1-CG 3.27Å; D398-R400 WeakPolarHBondContact OD1-CG 3.3Å; D398-R400 IonicContact OD1-CZ 3.92Å; D398-R400 PolarHBondContact OD1-N 3.12Å; D398-R400 IonicContact OD1-NE 2.99Å; D398-R400 PolarHBondContact OD1-NE 3.21Å; D398-R400 IonicContact OD1-NH2 3.97Å; D398-R400 IonicContact OD2-CZ 3.36Å; D398-R400 IonicContact OD2-NE 3.17Å; D398-R400 PolarHBondContact OD2-NE 3.14Å; D398-R400 IonicContact OD2-NH2 2.71Å; D398-R400 PolarHBondContact OD2-NH2 3.2Å
399	I	94.8	Very high	92.7	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	31%	0.307	C	S	.	.			trans	-117.5	6.1	177.6	57.3	175.2	0	0	0	112.7	R362 L365 V366 A396 G397 S401 R402 R403	R362-I399 HydrophobicContact CB-CG2 4.36Å; R362-I399 HydrophobicContact CG-CG2 4.16Å; L365-I399 HydrophobicContact CB-CD1 3.64Å; L365-I399 HydrophobicContact CD1-CD1 4.04Å; L365-I399 HydrophobicContact CG-CD1 4.5Å; V366-I399 HydrophobicContact CG2-CB 4.41Å; A396-I399 HydrophobicContact CB-CG2 4.39Å; G397-I399 PolarHBondContact O-N 3.26Å; I399-S401 VanDerWaalsContact C-N 3.35Å; I399-S401 PolarHBondContact O-N 3.23Å; I399-R402 PolarHBondContact O-N 3.33Å; I399-R403 HydrophobicContact CD1-CG 4.35Å; I399-R403 HydrophobicContact CG1-CG 4.37Å; I399-R403 PolarHBondContact O-N 2.9Å
400	R	94	Very high	92.7	Very high	168 Å²	168	60.3 Å²	60.3	63%	0.634	32%	0.32	S	S	*	.	H	α-helix	trans	-59	-44.9	-175.7	-67.5	174.9	-64.5	175.5	0.6	112	D398 R402 R403 I404	D398-R400 VanDerWaalsContact OD1-CB 3.28Å; D398-R400 WeakPolarHBondContact OD1-CB 3.13Å; D398-R400 VanDerWaalsContact OD1-CG 3.27Å; D398-R400 WeakPolarHBondContact OD1-CG 3.3Å; D398-R400 IonicContact OD1-CZ 3.92Å; D398-R400 PolarHBondContact OD1-N 3.12Å; D398-R400 IonicContact OD1-NE 2.99Å; D398-R400 PolarHBondContact OD1-NE 3.21Å; D398-R400 IonicContact OD1-NH2 3.97Å; D398-R400 IonicContact OD2-CZ 3.36Å; D398-R400 IonicContact OD2-NE 3.17Å; D398-R400 PolarHBondContact OD2-NE 3.14Å; D398-R400 IonicContact OD2-NH2 2.71Å; D398-R400 PolarHBondContact OD2-NH2 3.2Å; R400-R402 PolarHBondContact O-N 2.85Å; R400-R403 PolarHBondContact O-N 3.05Å; R400-I404 PolarHBondContact O-N 3.48Å
401	S	93.5	Very high	93	Very high	66 Å²	66	56.2 Å²	56.2	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-25.3	177.4	62.9	0	0	0	0	113.2	I399 I404	I399-S401 VanDerWaalsContact C-N 3.35Å; I399-S401 PolarHBondContact O-N 3.23Å; S401-I404 WeakPolarHBondContact O-CG1 3.36Å
402	R	96.2	Very high	93.2	Very high	13 Å²	13	57.1 Å²	57.1	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-86.4	-41.8	176.4	-57.6	-52.4	-59.9	178.5	-1.4	112	G301 D304 E316 V366 I399 R400 I404 I405 P406	G301-R402 PolarHBondContact O-NH1 2.66Å; D304-R402 HydrophobicContact CB-CG 4.42Å; E316-R402 IonicContact OE1-CZ 2.61Å; E316-R402 IonicContact OE1-NE 3.86Å; E316-R402 IonicContact OE1-NH2 3.75Å; E316-R402 PolarHBondContact OE1-NH2 2.81Å; E316-R402 IonicContact OE2-NH2 2.84Å; E316-R402 PolarHBondContact OE2-NH2 3.13Å; V366-R402 HydrophobicContact CG1-CB 4.28Å; V366-R402 HydrophobicContact CG2-CB 3.57Å; I399-R402 PolarHBondContact O-N 3.33Å; R400-R402 PolarHBondContact O-N 2.85Å; R402-I404 PolarHBondContact O-N 3.37Å; R402-I405 WeakPolarHBondContact O-CB 3.33Å; R402-I405 PolarHBondContact O-N 2.77Å; R402-I405 VanDerWaalsContact O-N 3.09Å; R402-P406 WeakPolarHBondContact O-CD 3.34Å
403	R	93.9	Very high	93.6	Very high	79 Å²	79	56.4 Å²	56.4	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-23.4	179.1	-80.3	-174.8	167.4	159.2	-3	114.1	L365 V366 I399 R400 D445	L365-R403 PolarHBondContact O-NE 2.93Å; V366-R403 HydrophobicContact CG2-CG 4.19Å; I399-R403 HydrophobicContact CD1-CG 4.35Å; I399-R403 HydrophobicContact CG1-CG 4.37Å; I399-R403 PolarHBondContact O-N 2.9Å; R400-R403 PolarHBondContact O-N 3.05Å; R403-D445 PolarHBondContact NH2-O 3.34Å
404	I	94.5	Very high	94	Very high	112 Å²	112	49.6 Å²	49.6	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-75	-23.3	175.5	59.5	167.3	0	0	0	113.5	R400 S401 R402 N407 S408	R400-I404 PolarHBondContact O-N 3.48Å; S401-I404 WeakPolarHBondContact O-CG1 3.36Å; R402-I404 PolarHBondContact O-N 3.37Å; I404-N407 PolarHBondContact O-N 3.14Å; I404-S408 WeakPolarHBondContact O-CB 3.43Å; I404-S408 PolarHBondContact O-N 2.82Å; I404-S408 PolarHBondContact O-OG 3.45Å
405	I	95.6	Very high	94.3	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-49.3	-171.4	-63	171.3	0	0	0	112.3	W367 R402 N407 S408 L409	W367-I405 HydrophobicContact CH2-CG2 4.32Å; R402-I405 WeakPolarHBondContact O-CB 3.33Å; R402-I405 PolarHBondContact O-N 2.77Å; R402-I405 VanDerWaalsContact O-N 3.09Å; I405-N407 PolarHBondContact O-N 3.45Å; I405-S408 PolarHBondContact O-N 2.99Å; I405-S408 PolarHBondContact O-OG 3.49Å; I405-S408 VanDerWaalsContact O-OG 3.13Å; I405-L409 HydrophobicContact CG2-CD1 3.69Å; I405-L409 HydrophobicContact CG2-CG 4.37Å; I405-L409 PolarHBondContact O-N 2.87Å; I405-L409 VanDerWaalsContact O-N 3.09Å
406	P	95.6	Very high	94.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-39.8	-178.5	-25.6	34.7	0	0	0	112.9	V366 W367 H370 R402 N410 C411	V366-P406 HydrophobicContact CG1-CG 4.14Å; W367-P406 HydrophobicContact CE3-CG 4.29Å; W367-P406 HydrophobicContact CH2-CG 3.89Å; W367-P406 HydrophobicContact CZ2-CG 4.45Å; W367-P406 HydrophobicContact CZ3-CB 4.33Å; W367-P406 HydrophobicContact CZ3-CG 3.82Å; H370-P406 HydrophobicContact CB-CB 4.13Å; H370-P406 HydrophobicContact CB-CG 4.34Å; H370-P406 VanDerWaalsContact CE1-CB 3.45Å; H370-P406 WeakPolarHBondContact CE1-CB 3.49Å; H370-P406 VanDerWaalsContact CG-CB 3.42Å; H370-P406 VanDerWaalsContact ND1-CB 3.32Å; H370-P406 WeakPolarHBondContact ND1-CB 3.28Å; R402-P406 WeakPolarHBondContact O-CD 3.34Å; P406-N410 PolarHBondContact O-N 3.42Å; P406-C411 HydrophobicContact CB-CB 4.4Å; P406-C411 PolarHBondContact O-N 2.95Å
407	N	93.2	Very high	94.7	Very high	108 Å²	108	50.1 Å²	50.1	58%	0.578	27%	0.265	S	S	*	.	H	α-helix	trans	-75.1	-43.7	178.7	-68.8	-33.9	0	0	0	112.4	I404 I405 L409 N410	I404-N407 PolarHBondContact O-N 3.14Å; I405-N407 PolarHBondContact O-N 3.45Å; N407-L409 PolarHBondContact O-N 2.93Å; N407-N410 PolarHBondContact O-N 3.18Å
408	S	93.2	Very high	94.9	Very high	81 Å²	81	48.2 Å²	48.2	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-65	-28.6	-177.7	69.9	0	0	0	0	113	I404 I405	I404-S408 WeakPolarHBondContact O-CB 3.43Å; I404-S408 PolarHBondContact O-N 2.82Å; I404-S408 PolarHBondContact O-OG 3.45Å; I405-S408 PolarHBondContact O-N 2.99Å; I405-S408 PolarHBondContact O-OG 3.49Å; I405-S408 VanDerWaalsContact O-OG 3.13Å
409	L	92.6	Very high	94.9	Very high	32 Å²	32	48.1 Å²	48.1	17%	0.168	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.4	178.7	-60.3	179.3	0	0	0	113.5	C324 I405 N407 C411	C324-L409 HydrophobicContact CB-CD1 4.43Å; I405-L409 HydrophobicContact CG2-CD1 3.69Å; I405-L409 HydrophobicContact CG2-CG 4.37Å; I405-L409 PolarHBondContact O-N 2.87Å; I405-L409 VanDerWaalsContact O-N 3.09Å; N407-L409 PolarHBondContact O-N 2.93Å; L409-C411 VanDerWaalsContact C-N 3.28Å; L409-C411 VanDerWaalsContact CB-SG 3.55Å; L409-C411 PolarHBondContact O-N 3.49Å
410	N	93.1	Very high	94.8	Very high	121 Å²	121	50.9 Å²	50.9	65%	0.647	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.7	-175.3	-62.6	-60	0	0	0	113.4	Y325 P406 N407	Y325-N410 WeakPolarHBondContact CE2-O 3.24Å; Y325-N410 VanDerWaalsContact CZ-O 3.27Å; Y325-N410 PolarHBondContact OH-O 2.94Å; P406-N410 PolarHBondContact O-N 3.42Å; N407-N410 PolarHBondContact O-N 3.18Å
411	C	95.5	Very high	94.9	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.068	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-65.3	149.1	-176.3	-51.6	0	0	0	0	111.8	M323 C324 H370 P406 L409	M323-C411 HydrophobicContact CB-CB 4.36Å; M323-C411 CarbonylContact O-C 3.59Å; M323-C411 VanDerWaalsContact O-CA 3.3Å; M323-C411 WeakPolarHBondContact O-CA 3.16Å; M323-C411 WeakPolarHBondContact O-CB 3.34Å; C324-C411 WeakPolarHBondContact CA-SG 2.84Å; C324-C411 HydrophobicContact CB-CB 4Å; C324-C411 WeakPolarHBondContact CB-SG 3.42Å; C324-C411 WeakPolarHBondContact SG-CB 3.24Å; C324-C411 CovalentContact SG-SG 2.03Å; C324-C411 PolarHBondContact SG-SG 3.37Å; H370-C411 PolarHBondContact NE2-O 3.29Å; P406-C411 HydrophobicContact CB-CB 4.4Å; P406-C411 PolarHBondContact O-N 2.95Å; L409-C411 VanDerWaalsContact C-N 3.28Å; L409-C411 VanDerWaalsContact CB-SG 3.55Å; L409-C411 PolarHBondContact O-N 3.49Å
412	H	95.3	Very high	95	Very high	20 Å²	20	40 Å²	40	9%	0.093	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-58.4	156.1	168.9	-66.5	-46.4	0	0	0	112.1	Y214 M323 Y325 H370 W416	Y214-H412 AromaticContact CD2-CE1 3.3Å; Y214-H412 WeakPolarHBondContact CD2-CE1 3.37Å; Y214-H412 AromaticContact CD2-NE2 3.56Å; Y214-H412 AromaticContact CE2-CE1 3.41Å; Y214-H412 VanDerWaalsContact CE2-CE1 3.41Å; Y214-H412 WeakPolarHBondContact CE2-CE1 3.21Å; Y214-H412 AromaticContact CG-CE1 3.83Å; Y214-H412 AromaticContact CG-NE2 3.99Å; M323-H412 WeakPolarHBondContact CE-O 3.29Å; M323-H412 WeakPolarHBondContact O-CB 3.07Å; M323-H412 PolarHBondContact O-N 3.09Å; Y325-H412 AromaticContact CD1-NE2 3.66Å; Y325-H412 AromaticContact CE1-CE1 3.47Å; Y325-H412 VanDerWaalsContact CE1-CE1 3.47Å; Y325-H412 WeakPolarHBondContact CE1-CE1 3.23Å; Y325-H412 AromaticContact CE1-NE2 3.27Å; Y325-H412 VanDerWaalsContact CE1-NE2 3.27Å; Y325-H412 WeakPolarHBondContact CE1-NE2 3.21Å; Y325-H412 AromaticContact CZ-CE1 3.99Å; H370-H412 PolarHBondContact CD2-O 2.55Å; H370-H412 VanDerWaalsContact CD2-O 3.24Å; H412-W416 HydrophobicContact CB-CB 3.94Å; H412-W416 HydrophobicContact CB-CD2 3.52Å; H412-W416 HydrophobicContact CB-CE3 3.47Å; H412-W416 VanDerWaalsContact CB-CE3 3.47Å; H412-W416 HydrophobicContact CB-CG 3.71Å; H412-W416 HydrophobicContact CB-CZ3 4.22Å; H412-W416 AromaticContact CD2-CD2 3.61Å; H412-W416 AromaticContact CD2-CE2 3.48Å; H412-W416 VanDerWaalsContact CD2-CE2 3.48Å; H412-W416 AromaticContact CD2-CE3 3.71Å; H412-W416 AromaticContact CD2-CH2 3.64Å; H412-W416 AromaticContact CD2-CZ2 3.52Å; H412-W416 AromaticContact CD2-CZ3 3.73Å; H412-W416 AromaticContact CG-CD2 3.53Å; H412-W416 AromaticContact CG-CE2 3.78Å; H412-W416 AromaticContact CG-CE3 3.78Å; H412-W416 AromaticContact CG-CG 3.86Å; H412-W416 AromaticContact NE2-CE2 3.88Å; H412-W416 AromaticContact NE2-CZ2 3.84Å
413	T	96.8	Very high	94.8	Very high	28 Å²	28	41.4 Å²	41.4	17%	0.172	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.7	164.1	178.3	63.2	0	0	0	0	112.2	H370 T372 T415 W416 Y417	H370-T413 CarbonylContact O-C 3.47Å; H370-T413 VanDerWaalsContact O-CA 3.25Å; H370-T413 WeakPolarHBondContact O-CA 3.41Å; T372-T413 HydrophobicContact CG2-CG2 4.01Å; T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 2.87Å; T413-W416 WeakPolarHBondContact O-CB 3.41Å; T413-W416 PolarHBondContact O-N 3.06Å; T413-W416 VanDerWaalsContact O-N 3.14Å; T413-W416 PolarHBondContact OG1-N 3.15Å; T413-Y417 PolarHBondContact O-N 2.95Å; T413-Y417 VanDerWaalsContact O-N 3.16Å
414	F	97.2	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-34.5	173.8	-172.3	-122.9	0	0	0	112.2	W248 L319 M323 W367 F368 H370 Y380 W416 Y417 L418	W248-F414 AromaticContact CH2-CE1 3.83Å; W248-F414 HydrophobicContact CH2-CE1 3.83Å; W248-F414 HydrophobicContact CH2-CZ 4.35Å; W248-F414 AromaticContact CZ3-CE1 3.94Å; W248-F414 HydrophobicContact CZ3-CE1 3.94Å; W248-F414 HydrophobicContact CZ3-CZ 4.42Å; L319-F414 HydrophobicContact CD2-CD2 4.07Å; L319-F414 HydrophobicContact CD2-CE2 3.65Å; M323-F414 HydrophobicContact CE-CB 4.17Å; M323-F414 HydrophobicContact SD-CD2 4.23Å; W367-F414 WeakPolarHBondContact O-CB 3.37Å; F368-F414 HydrophobicContact CB-CD1 4.29Å; F368-F414 AromaticContact CD1-CD1 3.92Å; F368-F414 HydrophobicContact CD1-CD1 3.92Å; F368-F414 HydrophobicContact CD1-CD2 4.02Å; F368-F414 AromaticContact CD1-CE1 3.62Å; F368-F414 HydrophobicContact CD1-CE1 3.62Å; F368-F414 AromaticContact CD1-CE2 3.75Å; F368-F414 HydrophobicContact CD1-CE2 3.75Å; F368-F414 HydrophobicContact CD1-CG 4.12Å; F368-F414 AromaticContact CD1-CZ 3.54Å; F368-F414 HydrophobicContact CD1-CZ 3.54Å; F368-F414 HydrophobicContact CD2-CE1 4.19Å; F368-F414 HydrophobicContact CE1-CD1 4.47Å; F368-F414 HydrophobicContact CE1-CD2 4.28Å; F368-F414 AromaticContact CE1-CE1 3.76Å; F368-F414 HydrophobicContact CE1-CE1 3.76Å; F368-F414 AromaticContact CE1-CE2 3.56Å; F368-F414 HydrophobicContact CE1-CE2 3.56Å; F368-F414 AromaticContact CE1-CZ 3.25Å; F368-F414 HydrophobicContact CE1-CZ 3.25Å; F368-F414 HydrophobicContact CE2-CE1 4.3Å; F368-F414 HydrophobicContact CE2-CZ 4.35Å; F368-F414 HydrophobicContact CG-CD1 4.09Å; F368-F414 AromaticContact CG-CE1 3.86Å; F368-F414 HydrophobicContact CG-CE1 3.86Å; F368-F414 HydrophobicContact CG-CZ 4.22Å; F368-F414 HydrophobicContact CZ-CE1 4.09Å; F368-F414 HydrophobicContact CZ-CE2 4.41Å; F368-F414 AromaticContact CZ-CZ 3.7Å; F368-F414 HydrophobicContact CZ-CZ 3.7Å; H370-F414 PolarHBondContact O-N 2.72Å; Y380-F414 HydrophobicContact CD1-CE1 4.49Å; Y380-F414 AromaticContact CD2-CD1 3.55Å; Y380-F414 HydrophobicContact CD2-CD1 3.55Å; Y380-F414 HydrophobicContact CD2-CE1 4.23Å; Y380-F414 AromaticContact CE2-CD1 3.95Å; Y380-F414 HydrophobicContact CE2-CD1 3.95Å; Y380-F414 AromaticContact CG-CD1 3.87Å; Y380-F414 HydrophobicContact CG-CD1 3.87Å; Y380-F414 HydrophobicContact CG-CE1 4.08Å; F414-W416 VanDerWaalsContact C-N 3.27Å; F414-W416 PolarHBondContact O-N 2.87Å; F414-Y417 HydrophobicContact CD2-CD1 4.09Å; F414-Y417 HydrophobicContact CD2-CG 4.45Å; F414-Y417 AromaticContact CE2-CD1 3.71Å; F414-Y417 HydrophobicContact CE2-CD1 3.71Å; F414-Y417 HydrophobicContact CE2-CE1 4.29Å; F414-Y417 HydrophobicContact CE2-CG 4.47Å; F414-Y417 WeakPolarHBondContact O-CB 3.2Å; F414-Y417 PolarHBondContact O-N 2.84Å; F414-Y417 VanDerWaalsContact O-N 3.07Å; F414-L418 HydrophobicContact CD1-CD1 4.04Å; F414-L418 HydrophobicContact CD1-CG 4.34Å; F414-L418 HydrophobicContact CE1-CD1 3.73Å; F414-L418 HydrophobicContact CE1-CD2 4.24Å; F414-L418 HydrophobicContact CE1-CG 4Å; F414-L418 HydrophobicContact CE2-CD2 4.37Å; F414-L418 HydrophobicContact CE2-CG 4.36Å; F414-L418 HydrophobicContact CZ-CD1 4.21Å; F414-L418 HydrophobicContact CZ-CD2 3.87Å; F414-L418 HydrophobicContact CZ-CG 3.99Å; F414-L418 PolarHBondContact O-N 3.18Å
415	T	96.7	Very high	94.9	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-43.3	170.1	-60.9	0	0	0	0	111.7	D371 L376 Y380 T413 Y417 L418 D419	D371-T415 WeakPolarHBondContact OD2-CB 3.29Å; D371-T415 PolarHBondContact OD2-N 3.06Å; D371-T415 PolarHBondContact OD2-OG1 3.31Å; L376-T415 HydrophobicContact CD1-CG2 4.45Å; Y380-T415 WeakPolarHBondContact CE2-OG1 3.46Å; Y380-T415 PolarHBondContact OH-OG1 3.21Å; T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 2.87Å; T415-Y417 VanDerWaalsContact C-N 3.32Å; T415-Y417 PolarHBondContact O-N 3.38Å; T415-L418 PolarHBondContact O-N 2.69Å; T415-D419 WeakPolarHBondContact O-CB 3.14Å; T415-D419 VanDerWaalsContact O-CG 3.32Å; T415-D419 PolarHBondContact O-N 3.06Å
416	W	95.4	Very high	94.8	Very high	68 Å²	68	37.8 Å²	37.8	26%	0.258	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-40.7	175.9	177.4	96.6	0	0	0	112.1	W322 H412 T413 F414 D419 N420 I421	W322-W416 WeakPolarHBondContact O-CZ3 3.38Å; H412-W416 HydrophobicContact CB-CB 3.94Å; H412-W416 HydrophobicContact CB-CD2 3.52Å; H412-W416 HydrophobicContact CB-CE3 3.47Å; H412-W416 VanDerWaalsContact CB-CE3 3.47Å; H412-W416 HydrophobicContact CB-CG 3.71Å; H412-W416 HydrophobicContact CB-CZ3 4.22Å; H412-W416 AromaticContact CD2-CD2 3.61Å; H412-W416 AromaticContact CD2-CE2 3.48Å; H412-W416 VanDerWaalsContact CD2-CE2 3.48Å; H412-W416 AromaticContact CD2-CE3 3.71Å; H412-W416 AromaticContact CD2-CH2 3.64Å; H412-W416 AromaticContact CD2-CZ2 3.52Å; H412-W416 AromaticContact CD2-CZ3 3.73Å; H412-W416 AromaticContact CG-CD2 3.53Å; H412-W416 AromaticContact CG-CE2 3.78Å; H412-W416 AromaticContact CG-CE3 3.78Å; H412-W416 AromaticContact CG-CG 3.86Å; H412-W416 AromaticContact NE2-CE2 3.88Å; H412-W416 AromaticContact NE2-CZ2 3.84Å; T413-W416 WeakPolarHBondContact O-CB 3.41Å; T413-W416 PolarHBondContact O-N 3.06Å; T413-W416 VanDerWaalsContact O-N 3.14Å; T413-W416 PolarHBondContact OG1-N 3.15Å; F414-W416 VanDerWaalsContact C-N 3.27Å; F414-W416 PolarHBondContact O-N 2.87Å; W416-D419 PolarHBondContact O-N 3.4Å; W416-N420 VanDerWaalsContact CD1-ND2 3.3Å; W416-N420 HydrophobicContact CD2-CB 4.41Å; W416-N420 HydrophobicContact CZ2-CB 4.19Å; W416-N420 PolarHBondContact NE1-ND2 3.13Å; W416-N420 WeakPolarHBondContact O-CB 3.36Å; W416-N420 PolarHBondContact O-N 3.23Å; W416-N420 PolarHBondContact O-ND2 3.09Å; W416-I421 HydrophobicContact CE3-CG1 4.45Å; W416-I421 HydrophobicContact CH2-CD1 3.88Å; W416-I421 HydrophobicContact CH2-CG1 3.99Å; W416-I421 HydrophobicContact CZ3-CD1 4.12Å; W416-I421 HydrophobicContact CZ3-CG1 3.68Å
417	Y	96.4	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-47.9	175.9	174.6	-90.4	0	0	0	111.3	F246 P283 L319 W322 M323 T413 F414 T415 D419 N420 I421 Y422	F246-Y417 HydrophobicContact CE1-CE1 4.31Å; F246-Y417 WeakPolarHBondContact CE1-OH 3.45Å; F246-Y417 HydrophobicContact CZ-CE1 4.14Å; P283-Y417 PolarHBondContact O-OH 3.23Å; L319-Y417 HydrophobicContact CD2-CD1 3.89Å; L319-Y417 HydrophobicContact CD2-CD2 4.29Å; L319-Y417 HydrophobicContact CD2-CE1 3.72Å; L319-Y417 HydrophobicContact CD2-CE2 4.12Å; L319-Y417 HydrophobicContact CD2-CG 4.19Å; W322-Y417 HydrophobicContact CB-CD2 3.65Å; W322-Y417 HydrophobicContact CB-CE2 3.69Å; W322-Y417 AromaticContact CD1-CE2 3.81Å; W322-Y417 HydrophobicContact CG-CD2 4.29Å; W322-Y417 AromaticContact CG-CE2 3.91Å; W322-Y417 HydrophobicContact CG-CE2 3.91Å; M323-Y417 HydrophobicContact CG-CD2 4.3Å; M323-Y417 HydrophobicContact CG-CG 4.42Å; T413-Y417 PolarHBondContact O-N 2.95Å; T413-Y417 VanDerWaalsContact O-N 3.16Å; F414-Y417 HydrophobicContact CD2-CD1 4.09Å; F414-Y417 HydrophobicContact CD2-CG 4.45Å; F414-Y417 AromaticContact CE2-CD1 3.71Å; F414-Y417 HydrophobicContact CE2-CD1 3.71Å; F414-Y417 HydrophobicContact CE2-CE1 4.29Å; F414-Y417 HydrophobicContact CE2-CG 4.47Å; F414-Y417 WeakPolarHBondContact O-CB 3.2Å; F414-Y417 PolarHBondContact O-N 2.84Å; F414-Y417 VanDerWaalsContact O-N 3.07Å; T415-Y417 VanDerWaalsContact C-N 3.32Å; T415-Y417 PolarHBondContact O-N 3.38Å; Y417-D419 VanDerWaalsContact C-N 3.33Å; Y417-D419 PolarHBondContact O-N 3.41Å; Y417-N420 PolarHBondContact O-N 3.48Å; Y417-I421 HydrophobicContact CD2-CG1 4.03Å; Y417-I421 PolarHBondContact O-N 3.26Å; Y417-I421 WeakPolarHBondContact O-CB 3.25Å; Y417-I421 VanDerWaalsContact O-CB 3.3Å; Y417-I421 WeakPolarHBondContact O-CA 3.38Å; Y417-I421 HydrophobicContact CG-CB 4.31Å; Y417-I421 HydrophobicContact CE2-CG2 3.51Å; Y417-I421 HydrophobicContact CE2-CG1 4.43Å; Y417-I421 HydrophobicContact CE2-CB 3.83Å; Y417-I421 HydrophobicContact CD2-CG2 3.98Å; Y417-I421 HydrophobicContact CD2-CB 3.77Å; Y417-Y422 HydrophobicContact CE1-CD1 4.13Å; Y417-Y422 HydrophobicContact CE1-CG 4.44Å; Y417-Y422 PolarHBondContact O-N 3.26Å
418	L	95.8	Very high	94.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-42.2	176.7	-70.9	178.9	0	0	0	111.9	W248 Y380 F414 T415 Y422 P423 L425 K426	W248-L418 HydrophobicContact CH2-CD1 4.01Å; W248-L418 HydrophobicContact CZ2-CD1 4.31Å; W248-L418 HydrophobicContact CZ2-CD2 4.39Å; Y380-L418 HydrophobicContact CD1-CD1 4.2Å; Y380-L418 HydrophobicContact CE1-CD1 3.66Å; F414-L418 HydrophobicContact CD1-CD1 4.04Å; F414-L418 HydrophobicContact CD1-CG 4.34Å; F414-L418 HydrophobicContact CE1-CD1 3.73Å; F414-L418 HydrophobicContact CE1-CD2 4.24Å; F414-L418 HydrophobicContact CE1-CG 4Å; F414-L418 HydrophobicContact CE2-CD2 4.37Å; F414-L418 HydrophobicContact CE2-CG 4.36Å; F414-L418 HydrophobicContact CZ-CD1 4.21Å; F414-L418 HydrophobicContact CZ-CD2 3.87Å; F414-L418 HydrophobicContact CZ-CG 3.99Å; F414-L418 PolarHBondContact O-N 3.18Å; T415-L418 PolarHBondContact O-N 2.69Å; L418-Y422 CarbonylContact O-C 3.45Å; L418-P423 WeakPolarHBondContact O-CA 3.37Å; L418-L425 HydrophobicContact CD2-CB 4.18Å; L418-L425 HydrophobicContact CD2-CD2 3.83Å; L418-L425 HydrophobicContact CD2-CG 4.02Å; L418-K426 HydrophobicContact CD2-CB 4.41Å; L418-K426 HydrophobicContact CB-CG 4.3Å; L418-K426 HydrophobicContact CB-CB 4.09Å; L418-K426 HydrophobicContact CB-CD 4.2Å
419	D	94.1	Very high	94.7	Very high	63 Å²	63	38.2 Å²	38.2	34%	0.337	19%	0.192	S	C	.	.	H	α-helix	trans	-73.1	-33.8	-177	-73.8	-21.2	0	0	0	113.7	L264 T415 W416 Y417 K426	L264-D419 WeakPolarHBondContact CD1-O 3.43Å; T415-D419 WeakPolarHBondContact O-CB 3.14Å; T415-D419 VanDerWaalsContact O-CG 3.32Å; T415-D419 PolarHBondContact O-N 3.06Å; W416-D419 PolarHBondContact O-N 3.4Å; Y417-D419 VanDerWaalsContact C-N 3.33Å; Y417-D419 PolarHBondContact O-N 3.41Å; D419-K426 VanDerWaalsContact OD1-CD 3.31Å; D419-K426 WeakPolarHBondContact OD1-CD 3.46Å; D419-K426 WeakPolarHBondContact OD1-CE 3.32Å; D419-K426 IonicContact OD1-NZ 3.84Å; D419-K426 PolarHBondContact OD1-NZ 3.09Å; D419-K426 IonicContact OD2-NZ 2.79Å
420	N	93.2	Very high	94.7	Very high	61 Å²	61	44.4 Å²	44.4	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-111.2	-31	-168.6	-64.2	-87.2	0	0	0	113.6	L264 W416 Y417	L264-N420 PolarHBondContact N-O 3.46Å; W416-N420 VanDerWaalsContact CD1-ND2 3.3Å; W416-N420 HydrophobicContact CD2-CB 4.41Å; W416-N420 HydrophobicContact CZ2-CB 4.19Å; W416-N420 PolarHBondContact NE1-ND2 3.13Å; W416-N420 WeakPolarHBondContact O-CB 3.36Å; W416-N420 PolarHBondContact O-N 3.23Å; W416-N420 PolarHBondContact O-ND2 3.09Å; Y417-N420 PolarHBondContact O-N 3.48Å
421	I	94.7	Very high	94.7	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-46.8	-171.4	-52.6	-52.8	0	0	0	111.1	P263 P283 W322 W416 Y417	P263-I421 HydrophobicContact CB-CD1 4.18Å; P263-I421 HydrophobicContact CB-CG2 4.43Å; P263-I421 HydrophobicContact CG-CG2 3.95Å; P283-I421 HydrophobicContact CB-CG2 4.27Å; W322-I421 HydrophobicContact CB-CG1 4.26Å; W322-I421 HydrophobicContact CB-CG2 4.37Å; W322-I421 HydrophobicContact CD2-CB 4.47Å; W322-I421 HydrophobicContact CD2-CD1 3.93Å; W322-I421 HydrophobicContact CD2-CG1 4.02Å; W322-I421 HydrophobicContact CD2-CG2 3.62Å; W322-I421 HydrophobicContact CE3-CD1 3.35Å; W322-I421 HydrophobicContact CE3-CG1 3.87Å; W322-I421 HydrophobicContact CE3-CG2 4.22Å; W322-I421 HydrophobicContact CG-CG1 4.22Å; W322-I421 HydrophobicContact CG-CG2 3.69Å; W322-I421 HydrophobicContact CH2-CD1 4.39Å; W322-I421 HydrophobicContact CZ2-CG2 4.37Å; W322-I421 HydrophobicContact CZ3-CD1 3.63Å; W416-I421 HydrophobicContact CE3-CG1 4.45Å; W416-I421 HydrophobicContact CH2-CD1 3.88Å; W416-I421 HydrophobicContact CH2-CG1 3.99Å; W416-I421 HydrophobicContact CZ3-CD1 4.12Å; W416-I421 HydrophobicContact CZ3-CG1 3.68Å; Y417-I421 HydrophobicContact CD2-CG1 4.03Å; Y417-I421 PolarHBondContact O-N 3.26Å; Y417-I421 WeakPolarHBondContact O-CB 3.25Å; Y417-I421 VanDerWaalsContact O-CB 3.3Å; Y417-I421 WeakPolarHBondContact O-CA 3.38Å; Y417-I421 HydrophobicContact CG-CB 4.31Å; Y417-I421 HydrophobicContact CE2-CG2 3.51Å; Y417-I421 HydrophobicContact CE2-CG1 4.43Å; Y417-I421 HydrophobicContact CE2-CB 3.83Å; Y417-I421 HydrophobicContact CD2-CG2 3.98Å; Y417-I421 HydrophobicContact CD2-CB 3.77Å
422	Y	95.5	Very high	94.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.			trans	-131.6	63.8	-176.9	-155.8	-172.3	0	0	0	114.5	G245 F246 H255 V261 P283 Y417 L418 L424 L425 K426	G245-Y422 WeakPolarHBondContact CA-OH 3.43Å; F246-Y422 HydrophobicContact CD1-CD1 4.3Å; F246-Y422 AromaticContact CD1-CE1 3.88Å; F246-Y422 HydrophobicContact CD1-CE1 3.88Å; F246-Y422 AromaticContact CE1-CD1 3.9Å; F246-Y422 HydrophobicContact CE1-CD1 3.9Å; F246-Y422 AromaticContact CE1-CE1 3.95Å; F246-Y422 HydrophobicContact CE1-CE1 3.95Å; F246-Y422 HydrophobicContact CG-CE1 4.36Å; F246-Y422 HydrophobicContact CZ-CD1 4.3Å; F246-Y422 HydrophobicContact CZ-CE1 4.46Å; F246-Y422 PolarHBondContact N-OH 2.94Å; F246-Y422 VanDerWaalsContact N-OH 3.14Å; F246-Y422 WeakPolarHBondContact O-CE1 3.12Å; F246-Y422 PolarHBondContact O-OH 3.04Å; H255-Y422 PolarHBondContact NE2-OH 3.12Å; H255-Y422 VanDerWaalsContact NE2-OH 3.11Å; V261-Y422 HydrophobicContact CG2-CD2 4.17Å; V261-Y422 HydrophobicContact CG2-CE2 3.69Å; P283-Y422 HydrophobicContact CB-CD1 3.99Å; P283-Y422 HydrophobicContact CB-CD2 4.11Å; P283-Y422 HydrophobicContact CB-CG 3.78Å; P283-Y422 HydrophobicContact CG-CD2 4.01Å; P283-Y422 HydrophobicContact CG-CG 4.17Å; Y417-Y422 HydrophobicContact CE1-CD1 4.13Å; Y417-Y422 HydrophobicContact CE1-CG 4.44Å; Y417-Y422 PolarHBondContact O-N 3.26Å; L418-Y422 CarbonylContact O-C 3.45Å; Y422-L424 HydrophobicContact CD2-CB 4.19Å; Y422-L424 HydrophobicContact CE2-CB 4.02Å; Y422-L424 PolarHBondContact O-N 3.36Å; Y422-L425 HydrophobicContact CD1-CB 3.58Å; Y422-L425 PolarHBondContact O-N 2.89Å; Y422-L425 HydrophobicContact CG-CB 3.76Å; Y422-L425 HydrophobicContact CE2-CB 4.2Å; Y422-L425 HydrophobicContact CE1-CG 4.25Å; Y422-L425 HydrophobicContact CE1-CD2 3.91Å; Y422-L425 HydrophobicContact CE1-CB 3.69Å; Y422-L425 HydrophobicContact CD2-CB 4.09Å; Y422-L425 HydrophobicContact CD1-CG 4.26Å; Y422-L425 HydrophobicContact CD1-CD2 3.73Å; Y422-K426 PolarHBondContact O-N 3.23Å
423	P	93.8	Very high	94.3	Very high	42 Å²	42	49.3 Å²	49.3	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-25.9	-179.4	-21.1	32.5	0	0	0	114.3	L264 L418 K426 K427	L264-P423 HydrophobicContact CD1-CG 3.86Å; L264-P423 HydrophobicContact CD2-CG 4.33Å; L264-P423 HydrophobicContact CG-CG 3.8Å; L418-P423 WeakPolarHBondContact O-CA 3.37Å; P423-K426 PolarHBondContact O-N 2.82Å; P423-K426 WeakPolarHBondContact O-CB 3.45Å; P423-K427 PolarHBondContact O-N 3.22Å
424	L	93.2	Very high	93.7	Very high	48 Å²	48	50.5 Å²	50.5	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-44.6	176.1	-176.9	60.6	0	0	0	111.1	Y422 K426 K427 E428	Y422-L424 HydrophobicContact CD2-CB 4.19Å; Y422-L424 HydrophobicContact CE2-CB 4.02Å; Y422-L424 PolarHBondContact O-N 3.36Å; L424-K426 PolarHBondContact O-N 2.56Å; L424-K426 VanDerWaalsContact C-N 3.29Å; L424-K427 WeakPolarHBondContact O-CB 3.2Å; L424-K427 PolarHBondContact O-N 2.98Å; L424-K427 VanDerWaalsContact O-N 3.1Å; L424-E428 WeakPolarHBondContact O-CG 3.34Å; L424-E428 PolarHBondContact O-N 2.87Å
425	L	95.4	Very high	92.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-38.7	174.9	-178.6	63.8	0	0	0	111.9	F246 W248 L418 Y422 K427 E428 A429	F246-L425 HydrophobicContact CD2-CD2 4.32Å; F246-L425 HydrophobicContact CE2-CD2 3.62Å; F246-L425 HydrophobicContact CZ-CD2 3.72Å; W248-L425 HydrophobicContact CD2-CD1 4.25Å; W248-L425 HydrophobicContact CG-CD1 4.02Å; W248-L425 HydrophobicContact CZ2-CG 4.18Å; W248-L425 PolarHBondContact NE1-O 2.91Å; L418-L425 HydrophobicContact CD2-CB 4.18Å; L418-L425 HydrophobicContact CD2-CD2 3.83Å; L418-L425 HydrophobicContact CD2-CG 4.02Å; Y422-L425 HydrophobicContact CD1-CB 3.58Å; Y422-L425 PolarHBondContact O-N 2.89Å; Y422-L425 HydrophobicContact CG-CB 3.76Å; Y422-L425 HydrophobicContact CE2-CB 4.2Å; Y422-L425 HydrophobicContact CE1-CG 4.25Å; Y422-L425 HydrophobicContact CE1-CD2 3.91Å; Y422-L425 HydrophobicContact CE1-CB 3.69Å; Y422-L425 HydrophobicContact CD2-CB 4.09Å; Y422-L425 HydrophobicContact CD1-CG 4.26Å; Y422-L425 HydrophobicContact CD1-CD2 3.73Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.33Å; L425-E428 PolarHBondContact O-N 2.94Å; L425-A429 PolarHBondContact O-N 2.94Å
426	K	94.8	Very high	91.3	Very high	83 Å²	83	61.2 Å²	61.2	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-41.8	174.4	-165.7	178.5	-175.8	177.2	0	111.7	L418 D419 Y422 P423 L424 A429	L418-K426 HydrophobicContact CD2-CB 4.41Å; L418-K426 HydrophobicContact CB-CG 4.3Å; L418-K426 HydrophobicContact CB-CB 4.09Å; L418-K426 HydrophobicContact CB-CD 4.2Å; D419-K426 VanDerWaalsContact OD1-CD 3.31Å; D419-K426 WeakPolarHBondContact OD1-CD 3.46Å; D419-K426 WeakPolarHBondContact OD1-CE 3.32Å; D419-K426 IonicContact OD1-NZ 3.84Å; D419-K426 PolarHBondContact OD1-NZ 3.09Å; D419-K426 IonicContact OD2-NZ 2.79Å; Y422-K426 PolarHBondContact O-N 3.23Å; P423-K426 PolarHBondContact O-N 2.82Å; P423-K426 WeakPolarHBondContact O-CB 3.45Å; L424-K426 PolarHBondContact O-N 2.56Å; L424-K426 VanDerWaalsContact C-N 3.29Å; K426-A429 VanDerWaalsContact O-CB 3.31Å; K426-A429 PolarHBondContact O-N 3.22Å; K426-A429 WeakPolarHBondContact O-CB 3.43Å
427	K	93.5	Very high	89.9	Confident	142 Å²	142	63.8 Å²	63.8	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-65.7	-41	176.9	-174.2	-177.8	176.2	-174.2	0	111.4	P423 L424 L425 A429 Q430	P423-K427 PolarHBondContact O-N 3.22Å; L424-K427 WeakPolarHBondContact O-CB 3.2Å; L424-K427 PolarHBondContact O-N 2.98Å; L424-K427 VanDerWaalsContact O-N 3.1Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.33Å; K427-A429 PolarHBondContact O-N 3.35Å; K427-Q430 WeakPolarHBondContact O-CB 3.2Å; K427-Q430 PolarHBondContact O-N 2.94Å
428	E	93.7	Very high	88.2	Confident	51 Å²	51	64 Å²	64	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-32.6	177.4	-71.9	-179.7	-173.9	0	0	112.6	R253 L424 L425 Q430 S431	R253-E428 IonicContact NH1-OE2 3.26Å; L424-E428 WeakPolarHBondContact O-CG 3.34Å; L424-E428 PolarHBondContact O-N 2.87Å; L425-E428 PolarHBondContact O-N 2.94Å; E428-Q430 PolarHBondContact O-N 3.24Å; E428-Q430 VanDerWaalsContact O-N 3.14Å; E428-S431 PolarHBondContact O-N 2.82Å; E428-S431 VanDerWaalsContact O-N 3.08Å; E428-S431 PolarHBondContact O-OG 3.02Å
429	A	93.3	Very high	86.2	Confident	7 Å²	7	71.8 Å²	71.8	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-56.3	-32	178.1	0	0	0	0	0	113.1	W248 Y383 L425 K426 K427 S431 I432	W248-A429 HydrophobicContact CZ2-CB 3.64Å; Y383-A429 HydrophobicContact CD2-CB 4.03Å; Y383-A429 HydrophobicContact CE1-CB 4.44Å; Y383-A429 HydrophobicContact CE2-CB 3.84Å; Y383-A429 HydrophobicContact CG-CB 4.47Å; L425-A429 PolarHBondContact O-N 2.94Å; K426-A429 VanDerWaalsContact O-CB 3.31Å; K426-A429 PolarHBondContact O-N 3.22Å; K426-A429 WeakPolarHBondContact O-CB 3.43Å; K427-A429 PolarHBondContact O-N 3.35Å; A429-S431 PolarHBondContact O-N 2.88Å; A429-S431 VanDerWaalsContact O-N 3.11Å; A429-I432 WeakPolarHBondContact O-CB 3.42Å; A429-I432 PolarHBondContact O-N 3.36Å
430	Q	91.5	Very high	84.3	Confident	161 Å²	161	77.7 Å²	77.7	75%	0.752	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.1	-179.2	-60	178.3	-23.7	0	0	113.5	K427 E428	K427-Q430 WeakPolarHBondContact O-CB 3.2Å; K427-Q430 PolarHBondContact O-N 2.94Å; E428-Q430 PolarHBondContact O-N 3.24Å; E428-Q430 VanDerWaalsContact O-N 3.14Å
431	S	92.8	Very high	82.5	Confident	97 Å²	97	77.2 Å²	77.2	68%	0.678	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.8	176.9	68.4	0	0	0	0	113.6	E428 A429	E428-S431 PolarHBondContact O-N 2.82Å; E428-S431 VanDerWaalsContact O-N 3.08Å; E428-S431 PolarHBondContact O-OG 3.02Å; A429-S431 PolarHBondContact O-N 2.88Å; A429-S431 VanDerWaalsContact O-N 3.11Å
432	I	92.9	Very high	80.4	Confident	29 Å²	29	78.3 Å²	78.3	15%	0.149	39%	0.387	C	S	.	.			trans	-89.9	111.9	-176.9	-56.7	174.1	0	0	0	108.9	W248 Y383 T386 V387 A429 I434	W248-I432 HydrophobicContact CB-CD1 3.87Å; W248-I432 HydrophobicContact CD2-CD1 4.46Å; W248-I432 HydrophobicContact CG-CD1 3.67Å; Y383-I432 HydrophobicContact CD1-CB 3.74Å; Y383-I432 HydrophobicContact CD1-CD1 4.18Å; Y383-I432 HydrophobicContact CD1-CG2 3.79Å; Y383-I432 HydrophobicContact CE1-CB 4.18Å; Y383-I432 HydrophobicContact CG-CD1 4.37Å; T386-I432 HydrophobicContact CG2-CG2 3.7Å; V387-I432 HydrophobicContact CG1-CD1 3.9Å; V387-I432 HydrophobicContact CG1-CG1 4.31Å; V387-I432 HydrophobicContact CG1-CG2 4.3Å; A429-I432 WeakPolarHBondContact O-CB 3.42Å; A429-I432 PolarHBondContact O-N 3.36Å; I432-I434 PolarHBondContact O-N 3.34Å
433	V	89.8	Confident	78.3	Confident	128 Å²	128	82.2 Å²	82.2	78%	0.776	42%	0.42	S	S	*	.			trans	-82.6	106.6	172.6	-177	0	0	0	0	108.6	T386 N435	T386-V433 WeakPolarHBondContact CG2-O 3.12Å; V433-N435 PolarHBondContact O-N 3.26Å
434	I	85.1	Confident	76.4	Confident	53 Å²	53	86.1 Å²	86.1	27%	0.272	43%	0.433	S	S	.	.			trans	-65.1	122.9	179.5	-62.7	170.3	0	0	0	109.2	E379 Y383 I432 T438	E379-I434 HydrophobicContact CG-CD1 4.14Å; Y383-I434 HydrophobicContact CD1-CD1 4Å; Y383-I434 HydrophobicContact CD1-CG1 3.87Å; Y383-I434 HydrophobicContact CE1-CD1 3.67Å; Y383-I434 HydrophobicContact CE1-CG1 3.82Å; I432-I434 PolarHBondContact O-N 3.34Å; I434-T438 WeakPolarHBondContact CG2-OG1 3.49Å
435	N	74.3	Confident	74.8	Confident	85 Å²	85	83.9 Å²	83.9	46%	0.455	42%	0.421	S	S	.	.			trans	-74.1	129.6	172.8	-178	-3.7	0	0	0	109.5	V433 D437 T438	V433-N435 PolarHBondContact O-N 3.26Å; N435-D437 PolarHBondContact O-N 3.17Å; N435-D437 PolarHBondContact OD1-N 2.71Å; N435-T438 WeakPolarHBondContact O-CB 3.27Å; N435-T438 PolarHBondContact O-N 2.99Å; N435-T438 PolarHBondContact O-OG1 3.35Å
436	E	68.2	Low	72.8	Confident	162 Å²	162	89.7 Å²	89.7	76%	0.757	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-53.4	-28.4	179.4	-65.5	-173	171.9	0	0	113.1	T438 Y439	E436-T438 PolarHBondContact O-N 3.4Å; E436-Y439 WeakPolarHBondContact O-CD2 3.31Å; E436-Y439 PolarHBondContact O-N 2.97Å
437	D	65.9	Low	70.1	Confident	121 Å²	121	93.3 Å²	93.3	65%	0.647	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-66.5	1.5	174	-63	-33	0	0	0	114.3	K392 N435	K392-D437 PolarHBondContact NZ-O 3.18Å; N435-D437 PolarHBondContact O-N 3.17Å; N435-D437 PolarHBondContact OD1-N 2.71Å
438	T	60.4	Low	69	Low	6 Å²	6	90.9 Å²	90.9	4%	0.037	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-84.3	-10.9	175.3	50.1	0	0	0	0	114.4	I434 N435 E436 Y440	I434-T438 WeakPolarHBondContact CG2-OG1 3.49Å; N435-T438 WeakPolarHBondContact O-CB 3.27Å; N435-T438 PolarHBondContact O-N 2.99Å; N435-T438 PolarHBondContact O-OG1 3.35Å; E436-T438 PolarHBondContact O-N 3.4Å; T438-Y440 PolarHBondContact O-N 3.32Å
439	Y	54.2	Low	67.7	Low	164 Å²	164	92.9 Å²	92.9	64%	0.643	48%	0.479	S	S	*	.			trans	-66.7	-1.4	-168.3	-94.1	-73.8	0	0	0	117.5	E436	E436-Y439 WeakPolarHBondContact O-CD2 3.31Å; E436-Y439 PolarHBondContact O-N 2.97Å
440	Y	53.4	Low	66.3	Low	187 Å²	187	97.7 Å²	97.7	73%	0.733	50%	0.503	S	S	*	.			trans	-108.1	100.8	177.6	-58	-78.6	0	0	0	109.4	T438 T442	T438-Y440 PolarHBondContact O-N 3.32Å; Y440-T442 VanDerWaalsContact C-N 3.32Å; Y440-T442 PolarHBondContact O-N 3.3Å
441	L	55.2	Low	64.8	Low	51 Å²	51	94 Å²	94	27%	0.267	49%	0.488	S	S	.	.			trans	-42.3	112.2	143	-85	162.9	0	0	0	104.8	L365 L381 D445	L365-L441 HydrophobicContact CD2-CD2 4.38Å; L381-L441 HydrophobicContact CD1-CD2 3.88Å; L441-D445 HydrophobicContact CB-CB 4.36Å; L441-D445 HydrophobicContact CD2-CB 3.68Å
442	T	52.5	Low	63	Low	27 Å²	27	93.8 Å²	93.8	17%	0.166	48%	0.476	C	S	.	.			trans	-60.5	154.2	-174.4	59.6	0	0	0	0	107.8	K392 Y440 F444 D445	K392-T442 HydrophobicContact CB-CG2 4.16Å; K392-T442 WeakPolarHBondContact O-CG2 3.28Å; Y440-T442 VanDerWaalsContact C-N 3.32Å; Y440-T442 PolarHBondContact O-N 3.3Å; T442-F444 PolarHBondContact O-N 2.91Å; T442-D445 PolarHBondContact N-OD2 3.09Å; T442-D445 PolarHBondContact O-N 3.15Å; T442-D445 PolarHBondContact OG1-OD1 3.28Å; T442-D445 PolarHBondContact OG1-OD2 2.85Å
443	A	50.5	Low	61	Low	83 Å²	83	98.1 Å²	98.1	69%	0.686	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-22.6	177.3	0	0	0	0	0	112.7
444	F	53.5	Low	59	Low	123 Å²	123	96 Å²	96	54%	0.539	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.5	175.8	-56.7	-72.1	0	0	0	115.4	T442	T442-F444 PolarHBondContact O-N 2.91Å
445	D	60.4	Low	57	Low	2 Å²	2	99.3 Å²	99.3	1%	0.011	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.7	-173.3	-57.9	-29.5	0	0	0	113.2	K361 L365 Y385 R403 L441 T442	K361-D445 WeakPolarHBondContact CE-OD1 3.39Å; K361-D445 IonicContact NZ-OD1 3.79Å; K361-D445 PolarHBondContact NZ-OD1 3.48Å; L365-D445 HydrophobicContact CD1-CB 4.42Å; L365-D445 HydrophobicContact CD2-CB 4.14Å; Y385-D445 PolarHBondContact OH-OD2 2.91Å; Y385-D445 VanDerWaalsContact OH-OD2 3.12Å; R403-D445 PolarHBondContact NH2-O 3.34Å; L441-D445 HydrophobicContact CB-CB 4.36Å; L441-D445 HydrophobicContact CD2-CB 3.68Å; T442-D445 PolarHBondContact N-OD2 3.09Å; T442-D445 PolarHBondContact O-N 3.15Å; T442-D445 PolarHBondContact OG1-OD1 3.28Å; T442-D445 PolarHBondContact OG1-OD2 2.85Å
446	N	52.2	Low	55.5	Low	122 Å²	122	100.5 Å²	100.5	65%	0.652	50%	0.497	S	S	*	.			trans	-90.4	-10	177	-73.6	-21.3	0	0	0	113.6
447	L	39.8	Very low	54.4	Low	158 Å²	158	94.9 Å²	94.9	83%	0.827	47%	0.474	S	S	*	.			trans	-84	0	170.3	-69.3	166.5	0	0	0	109.8

Retrieved 447 of 447 residues in 127.3 ms (Link to these results)

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