A0A3Q0KUI5_SCHMA Loading...

DNA-directed primase/polymerase protein

AlphaFold DB , UniProt , Accession A0A3Q0KUI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	51.1	Low	201 Å²	201	139 Å²	139	99%	0.99	65%	0.652	S	S	*	*				0	-56.9	0	-82.1	-171.7	-148.7	0	0	115	R3 L4 K5	M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.03Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-K5 PolarHBondContact O-N 2.87Å
2	K	47.1	Very low	50.9	Low	201 Å²	201	131.5 Å²	131.5	87%	0.874	63%	0.632	S	S	*	*	H	α-helix	trans	-57.4	-34.2	-178	-77.6	-175.7	177.7	178.4	0	114.4	R6	K2-R6 PolarHBondContact O-N 3.27Å
3	R	44.8	Very low	50.7	Low	214 Å²	214	126.6 Å²	126.6	81%	0.808	62%	0.615	S	S	*	*	H	α-helix	trans	-71.6	-37.5	-179.4	-150.5	177.1	-174.5	-178.7	1.4	113.5	M1 R6 L7	M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.03Å; R3-R6 PolarHBondContact O-N 2.94Å; R3-L7 PolarHBondContact O-N 3.32Å
4	L	44.4	Very low	50.4	Low	116 Å²	116	121.9 Å²	121.9	61%	0.607	61%	0.607	S	S	*	*	H	α-helix	trans	-65.7	-45.6	174.5	-95.1	102.9	0	0	0	111.4	M1 R6 L7 D8	M1-L4 PolarHBondContact O-N 3.06Å; L4-R6 PolarHBondContact O-N 2.78Å; L4-L7 PolarHBondContact O-N 3.32Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L4-D8 PolarHBondContact O-N 3.26Å
5	K	55.1	Low	49.8	Very low	161 Å²	161	128 Å²	128	70%	0.7	62%	0.62	S	S	*	*	H	α-helix	trans	-58.3	-32.3	178.3	-74.6	-170.5	175	-173.4	0	113.5	M1 L9	M1-K5 PolarHBondContact O-N 2.87Å; K5-L9 WeakPolarHBondContact O-CB 3.35Å; K5-L9 PolarHBondContact O-N 2.92Å; K5-L9 VanDerWaalsContact O-N 3.17Å
6	R	53.8	Low	49.6	Very low	183 Å²	183	127.6 Å²	127.6	69%	0.691	63%	0.627	S	S	*	*	H	α-helix	trans	-73.4	-43.2	176.9	-168.1	172.4	-176.6	172.6	1.9	111.8	K2 R3 L4 D8 L9 D10	K2-R6 PolarHBondContact O-N 3.27Å; R3-R6 PolarHBondContact O-N 2.94Å; L4-R6 PolarHBondContact O-N 2.78Å; R6-D8 VanDerWaalsContact C-N 3.34Å; R6-D8 PolarHBondContact O-N 2.9Å; R6-L9 PolarHBondContact O-N 3.33Å; R6-D10 WeakPolarHBondContact O-CB 3.22Å; R6-D10 VanDerWaalsContact O-CG 3.26Å; R6-D10 PolarHBondContact O-N 3.35Å
7	L	53.9	Low	49.6	Very low	112 Å²	112	129.2 Å²	129.2	59%	0.586	63%	0.625	S	S	*	*	H	α-helix	trans	-63.2	-39.9	176.2	-74.7	162.3	0	0	0	111.9	R3 L4 D10 A11	R3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.32Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L7-D10 PolarHBondContact O-N 3.13Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 2.87Å
8	D	60.6	Low	49.7	Very low	103 Å²	103	131.9 Å²	131.9	55%	0.551	64%	0.636	S	S	*	*	H	α-helix	trans	-66.3	-38.3	175.6	-71.7	-34.2	0	0	0	112	L4 R6 A12	L4-D8 PolarHBondContact O-N 3.26Å; R6-D8 VanDerWaalsContact C-N 3.34Å; R6-D8 PolarHBondContact O-N 2.9Å; D8-A12 VanDerWaalsContact O-CB 3.22Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 3.26Å
9	L	53.6	Low	50.1	Low	113 Å²	113	133.3 Å²	133.3	59%	0.592	65%	0.646	S	S	*	*	H	α-helix	trans	-66.9	-45.5	174.6	-165.2	77	0	0	0	111.1	K5 R6 A11 A12 V13	K5-L9 WeakPolarHBondContact O-CB 3.35Å; K5-L9 PolarHBondContact O-N 2.92Å; K5-L9 VanDerWaalsContact O-N 3.17Å; R6-L9 PolarHBondContact O-N 3.33Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.37Å; L9-A12 PolarHBondContact O-N 3.12Å; L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.83Å
10	D	50.6	Low	50.9	Low	88 Å²	88	129.4 Å²	129.4	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-64	-38.9	177.2	-69.8	-26	0	0	0	110.9	R6 L7 A14	R6-D10 WeakPolarHBondContact O-CB 3.22Å; R6-D10 VanDerWaalsContact O-CG 3.26Å; R6-D10 PolarHBondContact O-N 3.35Å; L7-D10 PolarHBondContact O-N 3.13Å; D10-A14 WeakPolarHBondContact O-CB 3.49Å; D10-A14 PolarHBondContact O-N 3.07Å
11	A	51	Low	51.9	Low	37 Å²	37	129.4 Å²	129.4	31%	0.306	63%	0.63	S	S	.	*	H	α-helix	trans	-68.4	-39.3	174.2	0	0	0	0	0	112.1	L7 L9 A14 R15	L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 2.87Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.37Å; A11-A14 PolarHBondContact O-N 3.22Å; A11-R15 WeakPolarHBondContact O-CB 3.46Å; A11-R15 VanDerWaalsContact O-CG 3.23Å; A11-R15 WeakPolarHBondContact O-CG 3.35Å; A11-R15 PolarHBondContact O-N 3.5Å
12	A	48.9	Very low	53.2	Low	49 Å²	49	124.9 Å²	124.9	41%	0.405	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-44.7	174.2	0	0	0	0	0	111.1	D8 L9 A14 R15 V16	D8-A12 VanDerWaalsContact O-CB 3.22Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 3.26Å; L9-A12 PolarHBondContact O-N 3.12Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 3.45Å; A12-R15 PolarHBondContact O-N 3.32Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 2.95Å
13	V	48.4	Very low	54.7	Low	68 Å²	68	118 Å²	118	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-62.1	-40	174	171.7	0	0	0	0	110.9	L9 V16 R17	L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.83Å; V13-V16 PolarHBondContact O-N 3.38Å; V13-R17 WeakPolarHBondContact O-CG 3.43Å; V13-R17 PolarHBondContact O-N 3.03Å; V13-R17 VanDerWaalsContact O-N 3.1Å
14	A	46.2	Very low	56.2	Low	61 Å²	61	115.8 Å²	115.8	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-67.5	-39.1	175.4	0	0	0	0	0	112.3	D10 A11 A12 V16 R17	D10-A14 WeakPolarHBondContact O-CB 3.49Å; D10-A14 PolarHBondContact O-N 3.07Å; A11-A14 PolarHBondContact O-N 3.22Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 3.45Å; A14-V16 VanDerWaalsContact C-N 3.29Å; A14-V16 PolarHBondContact O-N 3.32Å; A14-R17 PolarHBondContact O-N 3.41Å
15	R	41.4	Very low	57.6	Low	213 Å²	213	112.5 Å²	112.5	80%	0.804	57%	0.573	S	S	*	*	H	α-helix	trans	-64.8	-31.5	174.1	-75.6	178	-153.2	-165.9	7.6	112.5	A11 A12	A11-R15 WeakPolarHBondContact O-CB 3.46Å; A11-R15 VanDerWaalsContact O-CG 3.23Å; A11-R15 WeakPolarHBondContact O-CG 3.35Å; A11-R15 PolarHBondContact O-N 3.5Å; A12-R15 PolarHBondContact O-N 3.32Å
16	V	45.8	Very low	58.7	Low	121 Å²	121	109.5 Å²	109.5	73%	0.733	57%	0.568	S	S	*	*	H	α-helix	trans	-75.5	-29.4	175.1	174.2	0	0	0	0	111.7	A12 V13 A14 Q18	A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 2.95Å; V13-V16 PolarHBondContact O-N 3.38Å; A14-V16 VanDerWaalsContact C-N 3.29Å; A14-V16 PolarHBondContact O-N 3.32Å; V16-Q18 PolarHBondContact O-N 3.12Å
17	R	50.3	Low	59.3	Low	155 Å²	155	109.9 Å²	109.9	59%	0.585	58%	0.583	S	S	*	*	S	Bend	trans	-77.5	87.4	173	-71.8	-179	-178.9	-172.2	1.3	109.5	V13 A14 I19	V13-R17 WeakPolarHBondContact O-CG 3.43Å; V13-R17 PolarHBondContact O-N 3.03Å; V13-R17 VanDerWaalsContact O-N 3.1Å; A14-R17 PolarHBondContact O-N 3.41Å; R17-I19 PolarHBondContact O-N 3.28Å; R17-I19 VanDerWaalsContact O-N 3.08Å
18	Q	51.8	Low	60.1	Low	179 Å²	179	114.7 Å²	114.7	84%	0.836	60%	0.599	S	S	*	*			trans	-44.2	120.9	168.5	-74.9	-177.2	-4.3	0	0	109.6	V16 P20	V16-Q18 PolarHBondContact O-N 3.12Å; Q18-P20 WeakPolarHBondContact O-CD 3.46Å
19	I	57.8	Low	60.5	Low	158 Å²	158	111.1 Å²	111.1	81%	0.81	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-61.6	121.8	172.7	-61.6	175.1	0	0	0	105.9	R17 Q21	R17-I19 PolarHBondContact O-N 3.28Å; R17-I19 VanDerWaalsContact O-N 3.08Å; I19-Q21 PolarHBondContact O-N 2.94Å
20	P	64.9	Low	61.4	Low	54 Å²	54	107.5 Å²	107.5	35%	0.351	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-55.2	135.7	-180	-24.2	33	0	0	0	109.8	Q18 T83 Q86	Q18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-T83 HydrophobicContact CB-CG2 4.41Å; P20-Q86 HydrophobicContact CB-CB 4.23Å
21	Q	73	Confident	62.4	Low	131 Å²	131	105.4 Å²	105.4	61%	0.612	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-57.1	140.4	171.3	-67.7	-170.6	-6.6	0	0	108.6	I19 Y82 Q86	I19-Q21 PolarHBondContact O-N 2.94Å; Q21-Y82 WeakPolarHBondContact O-CE1 3.4Å; Q21-Q86 PolarHBondContact O-NE2 2.65Å
22	P	73.8	Confident	63.8	Low	105 Å²	105	106.6 Å²	106.6	68%	0.682	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.3	147.4	178.9	29	-34	0	0	0	110.6	Q24 Y82	P22-Q24 PolarHBondContact O-N 3.23Å; P22-Y82 VanDerWaalsContact C-CE1 3.49Å; P22-Y82 VanDerWaalsContact O-CE1 3.31Å; P22-Y82 WeakPolarHBondContact O-CE1 3.27Å; P22-Y82 PolarHBondContact O-OH 3.32Å
23	Y	77.9	Confident	65.5	Low	57 Å²	57	106.4 Å²	106.4	22%	0.224	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-72.4	122	174.4	179	-104.3	0	0	0	109.7	A25 P30 Y82	Y23-A25 HydrophobicContact CD1-CB 4.36Å; Y23-A25 HydrophobicContact CE1-CB 4.03Å; Y23-A25 PolarHBondContact O-N 3.48Å; Y23-P30 WeakPolarHBondContact OH-CG 3.42Å; Y23-Y82 AromaticContact CD2-CD1 3.89Å; Y23-Y82 HydrophobicContact CD2-CD1 3.89Å; Y23-Y82 HydrophobicContact CD2-CD2 4.08Å; Y23-Y82 AromaticContact CD2-CG 3.62Å; Y23-Y82 HydrophobicContact CD2-CG 3.62Å; Y23-Y82 HydrophobicContact CG-CD1 4.3Å; Y23-Y82 HydrophobicContact CG-CG 4.44Å
24	Q	76.7	Confident	67.4	Low	168 Å²	168	107.8 Å²	107.8	79%	0.785	56%	0.558	S	S	*	*			trans	-88.8	100.9	177.4	-67.1	-175.4	-10.7	0	0	109.9	P22	P22-Q24 PolarHBondContact O-N 3.23Å
25	A	75.2	Confident	69.5	Low	47 Å²	47	109.7 Å²	109.7	39%	0.388	56%	0.555	S	S	.	*			trans	-78.6	147.4	172.8	0	0	0	0	0	111.5	Y23	Y23-A25 HydrophobicContact CD1-CB 4.36Å; Y23-A25 HydrophobicContact CE1-CB 4.03Å; Y23-A25 PolarHBondContact O-N 3.48Å
26	T	76.3	Confident	71.7	Confident	98 Å²	98	104.4 Å²	104.4	60%	0.601	54%	0.541	S	S	*	.			trans	-109.4	158	169.8	62.5	0	0	0	0	109.3	K28 G29	T26-K28 PolarHBondContact O-N 3.49Å; T26-K28 VanDerWaalsContact O-N 3.14Å; T26-G29 PolarHBondContact O-N 2.91Å; T26-G29 WeakPolarHBondContact OG1-CA 3.17Å; T26-G29 PolarHBondContact OG1-N 3.44Å; T26-G29 VanDerWaalsContact OG1-N 3.12Å
27	L	68.4	Low	73.8	Confident	191 Å²	191	99.9 Å²	99.9	100%	1	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.9	-178.3	-120.6	104.5	0	0	0	113.7
28	K	69.4	Low	75.5	Confident	212 Å²	212	98.1 Å²	98.1	92%	0.922	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	1.3	178.3	-62.1	-174.8	177.8	-176.9	0	113	T26	T26-K28 PolarHBondContact O-N 3.49Å; T26-K28 VanDerWaalsContact O-N 3.14Å
29	G	69.1	Low	77.1	Confident	29 Å²	29	96.2 Å²	96.2	30%	0.299	49%	0.494	S	S	.	.	S	Bend	trans	-89.9	174.9	-176.3	0	0	0	0	0	112.2	T26	T26-G29 PolarHBondContact O-N 2.91Å; T26-G29 WeakPolarHBondContact OG1-CA 3.17Å; T26-G29 PolarHBondContact OG1-N 3.44Å; T26-G29 VanDerWaalsContact OG1-N 3.12Å
30	P	72.4	Confident	78.6	Confident	37 Å²	37	90.9 Å²	90.9	24%	0.24	47%	0.466	C	S	.	.			trans	-65.6	148.8	176.4	19.6	-20.6	0	0	0	110.7	Y23 Q78	Y23-P30 WeakPolarHBondContact OH-CG 3.42Å; P30-Q78 HydrophobicContact CB-CB 4.38Å; P30-Q78 VanDerWaalsContact CB-CD 3.48Å; P30-Q78 HydrophobicContact CB-CG 4.18Å; P30-Q78 HydrophobicContact CG-CB 3.93Å; P30-Q78 HydrophobicContact CG-CG 3.75Å
31	T	72.8	Confident	79.8	Confident	43 Å²	43	93 Å²	93	26%	0.264	47%	0.471	S	S	.	.			trans	-56	136.8	-175.5	-174.7	0	0	0	0	112.9	V33 M54	T31-V33 VanDerWaalsContact C-N 3.26Å; T31-V33 HydrophobicContact CG2-CB 4.46Å; T31-V33 VanDerWaalsContact OG1-CB 3.29Å; T31-V33 WeakPolarHBondContact OG1-CB 3.5Å; T31-V33 WeakPolarHBondContact OG1-CG2 3.48Å; T31-V33 PolarHBondContact OG1-N 3.45Å; T31-V33 VanDerWaalsContact OG1-N 3.15Å; T31-M54 HydrophobicContact CG2-CE 3.9Å
32	S	79.8	Confident	80.8	Confident	62 Å²	62	90 Å²	90	43%	0.434	46%	0.46	S	S	.	.			trans	-85.5	3.2	169.2	50.4	0	0	0	0	113.1	R34	S32-R34 PolarHBondContact O-N 3.49Å
33	V	84.5	Confident	81.8	Confident	46 Å²	46	85 Å²	85	28%	0.279	43%	0.427	S	S	.	.			trans	-58.6	125.2	-178	169.4	0	0	0	0	110.2	T31 F46 F50 M54 S75	T31-V33 VanDerWaalsContact C-N 3.26Å; T31-V33 HydrophobicContact CG2-CB 4.46Å; T31-V33 VanDerWaalsContact OG1-CB 3.29Å; T31-V33 WeakPolarHBondContact OG1-CB 3.5Å; T31-V33 WeakPolarHBondContact OG1-CG2 3.48Å; T31-V33 PolarHBondContact OG1-N 3.45Å; T31-V33 VanDerWaalsContact OG1-N 3.15Å; V33-F46 HydrophobicContact CG1-CE1 3.85Å; V33-F46 HydrophobicContact CG1-CZ 3.82Å; V33-F50 HydrophobicContact CG1-CE1 4.34Å; V33-F50 HydrophobicContact CG1-CZ 4.03Å; V33-F50 HydrophobicContact CG2-CE1 4.14Å; V33-F50 HydrophobicContact CG2-CZ 4.4Å; V33-M54 HydrophobicContact CB-CE 3.88Å; V33-M54 HydrophobicContact CG1-CE 3.71Å; V33-S75 WeakPolarHBondContact O-CA 3.43Å; V33-S75 PolarHBondContact O-OG 3.25Å
34	R	88.9	Confident	82.5	Confident	96 Å²	96	82.4 Å²	82.4	36%	0.362	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	115.5	177.8	-69.1	176.2	72.1	77.3	-4.2	107.7	S32 L73 A74 S75 S79	S32-R34 PolarHBondContact O-N 3.49Å; R34-L73 HydrophobicContact CB-CD1 4.18Å; R34-A74 WeakPolarHBondContact CA-O 3.45Å; R34-S75 WeakPolarHBondContact CG-OG 3.5Å; R34-S75 PolarHBondContact NH1-OG 3.29Å; R34-S79 WeakPolarHBondContact CD-OG 3.46Å; R34-S79 PolarHBondContact NH1-O 3.36Å
35	K	90.5	Very high	83.3	Confident	102 Å²	102	77.9 Å²	77.9	44%	0.443	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.1	178.4	-168.6	168.7	172.7	-179.6	0	110.9	F37 F46 L73 A74	K35-F37 HydrophobicContact CB-CE2 3.74Å; K35-F37 HydrophobicContact CB-CZ 4.13Å; K35-F37 HydrophobicContact CD-CE1 4.16Å; K35-F37 HydrophobicContact CD-CE2 3.96Å; K35-F37 HydrophobicContact CD-CZ 3.44Å; K35-F37 VanDerWaalsContact CD-CZ 3.44Å; K35-F37 HydrophobicContact CG-CD2 4.35Å; K35-F37 HydrophobicContact CG-CE1 4.35Å; K35-F37 HydrophobicContact CG-CE2 3.57Å; K35-F37 HydrophobicContact CG-CZ 3.57Å; K35-F37 WeakPolarHBondContact O-CD2 3.46Å; K35-F46 HydrophobicContact CB-CD1 4.38Å; K35-F46 HydrophobicContact CB-CE1 3.86Å; K35-F46 HydrophobicContact CB-CZ 4.07Å; K35-F46 HydrophobicContact CD-CD2 4.05Å; K35-F46 HydrophobicContact CD-CE1 4.25Å; K35-F46 HydrophobicContact CD-CE2 3.71Å; K35-F46 HydrophobicContact CD-CG 4.45Å; K35-F46 HydrophobicContact CD-CZ 3.81Å; K35-L73 WeakPolarHBondContact O-CA 3.43Å; K35-A74 PolarHBondContact N-O 3.07Å; K35-A74 PolarHBondContact O-N 3.46Å
36	I	87.6	Confident	84.2	Confident	101 Å²	101	77.1 Å²	77.1	52%	0.518	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.8	-178.8	-61.8	164	0	0	0	109.1	Y59 F72 L73	I36-Y59 WeakPolarHBondContact CD1-OH 3.42Å; I36-F72 CarbonylContact C-O 3.52Å; I36-F72 WeakPolarHBondContact CA-O 3.47Å; I36-L73 HydrophobicContact CG1-CD1 3.96Å
37	F	89.1	Confident	85.1	Confident	27 Å²	27	72.5 Å²	72.5	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.2	179.1	-59.5	-95.8	0	0	0	110.4	K35 D42 A43 F46 F72 A74	K35-F37 HydrophobicContact CB-CE2 3.74Å; K35-F37 HydrophobicContact CB-CZ 4.13Å; K35-F37 HydrophobicContact CD-CE1 4.16Å; K35-F37 HydrophobicContact CD-CE2 3.96Å; K35-F37 HydrophobicContact CD-CZ 3.44Å; K35-F37 VanDerWaalsContact CD-CZ 3.44Å; K35-F37 HydrophobicContact CG-CD2 4.35Å; K35-F37 HydrophobicContact CG-CE1 4.35Å; K35-F37 HydrophobicContact CG-CE2 3.57Å; K35-F37 HydrophobicContact CG-CZ 3.57Å; K35-F37 WeakPolarHBondContact O-CD2 3.46Å; F37-D42 HydrophobicContact CB-CB 4.48Å; F37-D42 HydrophobicContact CD1-CB 3.62Å; F37-D42 HydrophobicContact CE1-CB 4.18Å; F37-D42 HydrophobicContact CG-CB 4.31Å; F37-A43 HydrophobicContact CB-CB 3.98Å; F37-A43 HydrophobicContact CD2-CB 3.57Å; F37-A43 HydrophobicContact CE2-CB 4.25Å; F37-A43 HydrophobicContact CG-CB 3.91Å; F37-F46 HydrophobicContact CE1-CB 4.2Å; F37-F46 HydrophobicContact CE2-CB 3.94Å; F37-F46 AromaticContact CE2-CD1 3.92Å; F37-F46 HydrophobicContact CE2-CD1 3.92Å; F37-F46 AromaticContact CE2-CG 3.97Å; F37-F46 HydrophobicContact CE2-CG 3.97Å; F37-F46 HydrophobicContact CZ-CB 3.4Å; F37-F46 AromaticContact CZ-CD1 3.91Å; F37-F46 HydrophobicContact CZ-CD1 3.91Å; F37-F46 AromaticContact CZ-CD2 3.97Å; F37-F46 HydrophobicContact CZ-CD2 3.97Å; F37-F46 AromaticContact CZ-CG 3.48Å; F37-F46 HydrophobicContact CZ-CG 3.48Å; F37-F46 VanDerWaalsContact CZ-CG 3.48Å; F37-F72 HydrophobicContact CB-CB 4.46Å; F37-F72 PolarHBondContact N-O 3.12Å; F37-F72 PolarHBondContact O-N 2.83Å; F37-A74 HydrophobicContact CE2-CB 4.08Å
38	R	84.8	Confident	86.2	Confident	118 Å²	118	67.9 Å²	67.9	45%	0.445	33%	0.329	S	S	.	.	S	Bend	trans	-91.7	-24.1	173.4	-63.9	-61.2	-169.5	161.9	6.7	113	S71	R38-S71 PolarHBondContact NH1-OG 2.82Å
39	K	86.2	Confident	87.2	Confident	139 Å²	139	64.9 Å²	64.9	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-106.5	137.4	175.8	-61.3	-179.2	-178.1	174.7	0	109.9	E41 D42 A43	K39-E41 VanDerWaalsContact C-N 3.33Å; K39-D42 HydrophobicContact CB-CB 4.37Å; K39-D42 WeakPolarHBondContact CB-OD2 3.42Å; K39-A43 PolarHBondContact O-N 2.97Å
40	Q	88.7	Confident	88.1	Confident	45 Å²	45	67.5 Å²	67.5	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-43	178.6	-168.5	173	-84.4	0	0	111.4	D42 A43 I44 F72 V97 N264 N266	Q40-D42 PolarHBondContact O-N 3.21Å; Q40-A43 WeakPolarHBondContact O-CB 3.08Å; Q40-A43 PolarHBondContact O-N 3.33Å; Q40-I44 HydrophobicContact CG-CD1 3.92Å; Q40-I44 HydrophobicContact CG-CG1 4.49Å; Q40-I44 WeakPolarHBondContact O-CG1 3.49Å; Q40-I44 PolarHBondContact O-N 2.91Å; Q40-F72 HydrophobicContact CB-CD1 3.96Å; Q40-F72 HydrophobicContact CB-CD2 4.22Å; Q40-F72 HydrophobicContact CB-CE1 3.58Å; Q40-F72 HydrophobicContact CB-CE2 3.87Å; Q40-F72 HydrophobicContact CB-CG 4.26Å; Q40-F72 HydrophobicContact CB-CZ 3.53Å; Q40-F72 HydrophobicContact CG-CD1 3.8Å; Q40-F72 HydrophobicContact CG-CE1 3.51Å; Q40-F72 HydrophobicContact CG-CG 4.5Å; Q40-F72 HydrophobicContact CG-CZ 4Å; Q40-F72 VanDerWaalsContact OE1-CE1 3.23Å; Q40-V97 HydrophobicContact CG-CG1 4.09Å; Q40-N264 PolarHBondContact NE2-O 2.91Å; Q40-N266 PolarHBondContact OE1-ND2 3.15Å
41	E	90.4	Very high	88.7	Confident	98 Å²	98	67.6 Å²	67.6	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-44	-177.9	-166.8	58.8	-152.3	0	0	112	K39 A43 I44 N45	K39-E41 VanDerWaalsContact C-N 3.33Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.25Å; E41-I44 PolarHBondContact O-N 3.22Å; E41-N45 WeakPolarHBondContact O-CB 3.18Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 2.94Å; E41-N45 PolarHBondContact O-ND2 3.12Å
42	D	94.4	Very high	89.2	Confident	70 Å²	70	71.7 Å²	71.7	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-39.5	178.3	-57.3	-11.9	0	0	0	111.6	F37 K39 Q40 F46	F37-D42 HydrophobicContact CB-CB 4.48Å; F37-D42 HydrophobicContact CD1-CB 3.62Å; F37-D42 HydrophobicContact CE1-CB 4.18Å; F37-D42 HydrophobicContact CG-CB 4.31Å; K39-D42 HydrophobicContact CB-CB 4.37Å; K39-D42 WeakPolarHBondContact CB-OD2 3.42Å; Q40-D42 PolarHBondContact O-N 3.21Å; D42-F46 WeakPolarHBondContact O-CB 3.43Å; D42-F46 PolarHBondContact O-N 2.95Å
43	A	94.3	Very high	89.2	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-42.1	176.5	0	0	0	0	0	112.1	F37 K39 Q40 E41 F46 A47 V56 F72	F37-A43 HydrophobicContact CB-CB 3.98Å; F37-A43 HydrophobicContact CD2-CB 3.57Å; F37-A43 HydrophobicContact CE2-CB 4.25Å; F37-A43 HydrophobicContact CG-CB 3.91Å; K39-A43 PolarHBondContact O-N 2.97Å; Q40-A43 WeakPolarHBondContact O-CB 3.08Å; Q40-A43 PolarHBondContact O-N 3.33Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.25Å; A43-F46 PolarHBondContact O-N 3.38Å; A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 2.94Å; A43-V56 HydrophobicContact CB-CG1 3.81Å; A43-V56 HydrophobicContact CB-CG2 4.38Å; A43-F72 HydrophobicContact CB-CB 3.62Å
44	I	93.1	Very high	89.6	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-50.7	176.1	-71.9	172.8	0	0	0	110	Q40 E41 F46 A47 K48 V56 V97 M99 N264	Q40-I44 HydrophobicContact CG-CD1 3.92Å; Q40-I44 HydrophobicContact CG-CG1 4.49Å; Q40-I44 WeakPolarHBondContact O-CG1 3.49Å; Q40-I44 PolarHBondContact O-N 2.91Å; E41-I44 PolarHBondContact O-N 3.22Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 2.91Å; I44-A47 PolarHBondContact O-N 3.36Å; I44-K48 HydrophobicContact CG2-CD 4.45Å; I44-K48 VanDerWaalsContact CG2-CE 3.47Å; I44-K48 WeakPolarHBondContact O-CG 3.32Å; I44-K48 PolarHBondContact O-N 3.32Å; I44-V56 HydrophobicContact CG1-CG2 4.26Å; I44-V97 HydrophobicContact CD1-CG1 4.15Å; I44-M99 HydrophobicContact CD1-CG 4.26Å; I44-M99 HydrophobicContact CG1-CG 4.02Å; I44-M99 HydrophobicContact CG1-SD 4.23Å; I44-M99 HydrophobicContact CG2-CG 4.4Å; I44-M99 HydrophobicContact CG2-SD 4.21Å; I44-N264 HydrophobicContact CD1-CB 4.01Å
45	N	94.3	Very high	89.8	Confident	73 Å²	73	68 Å²	68	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-38.4	-179.7	-72.6	-28.4	0	0	0	112.3	E41	E41-N45 WeakPolarHBondContact O-CB 3.18Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 2.94Å; E41-N45 PolarHBondContact O-ND2 3.12Å
46	F	94.1	Very high	90.1	Very high	31 Å²	31	63.1 Å²	63.1	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-45.8	171.8	179.5	-96.6	0	0	0	112	V33 K35 F37 D42 A43 I44 K48 Q49 F50 A74	V33-F46 HydrophobicContact CG1-CE1 3.85Å; V33-F46 HydrophobicContact CG1-CZ 3.82Å; K35-F46 HydrophobicContact CB-CD1 4.38Å; K35-F46 HydrophobicContact CB-CE1 3.86Å; K35-F46 HydrophobicContact CB-CZ 4.07Å; K35-F46 HydrophobicContact CD-CD2 4.05Å; K35-F46 HydrophobicContact CD-CE1 4.25Å; K35-F46 HydrophobicContact CD-CE2 3.71Å; K35-F46 HydrophobicContact CD-CG 4.45Å; K35-F46 HydrophobicContact CD-CZ 3.81Å; F37-F46 HydrophobicContact CE1-CB 4.2Å; F37-F46 HydrophobicContact CE2-CB 3.94Å; F37-F46 AromaticContact CE2-CD1 3.92Å; F37-F46 HydrophobicContact CE2-CD1 3.92Å; F37-F46 AromaticContact CE2-CG 3.97Å; F37-F46 HydrophobicContact CE2-CG 3.97Å; F37-F46 HydrophobicContact CZ-CB 3.4Å; F37-F46 AromaticContact CZ-CD1 3.91Å; F37-F46 HydrophobicContact CZ-CD1 3.91Å; F37-F46 AromaticContact CZ-CD2 3.97Å; F37-F46 HydrophobicContact CZ-CD2 3.97Å; F37-F46 AromaticContact CZ-CG 3.48Å; F37-F46 HydrophobicContact CZ-CG 3.48Å; F37-F46 VanDerWaalsContact CZ-CG 3.48Å; D42-F46 WeakPolarHBondContact O-CB 3.43Å; D42-F46 PolarHBondContact O-N 2.95Å; A43-F46 PolarHBondContact O-N 3.38Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 2.91Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.16Å; F46-Q49 WeakPolarHBondContact O-CB 3.4Å; F46-Q49 PolarHBondContact O-N 3.45Å; F46-F50 HydrophobicContact CD1-CE2 4.19Å; F46-F50 HydrophobicContact CD2-CE2 4.39Å; F46-F50 HydrophobicContact CE1-CD2 4.33Å; F46-F50 AromaticContact CE1-CE2 3.65Å; F46-F50 HydrophobicContact CE1-CE2 3.65Å; F46-F50 HydrophobicContact CE1-CZ 4.31Å; F46-F50 AromaticContact CE2-CE2 3.87Å; F46-F50 HydrophobicContact CE2-CE2 3.87Å; F46-F50 HydrophobicContact CE2-CZ 4.37Å; F46-F50 AromaticContact CZ-CE2 3.47Å; F46-F50 HydrophobicContact CZ-CE2 3.47Å; F46-F50 VanDerWaalsContact CZ-CE2 3.47Å; F46-F50 AromaticContact CZ-CZ 3.84Å; F46-F50 HydrophobicContact CZ-CZ 3.84Å; F46-F50 WeakPolarHBondContact O-CD2 3.32Å; F46-A74 HydrophobicContact CD1-CB 3.55Å; F46-A74 HydrophobicContact CE1-CB 4.01Å
47	A	93.7	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-36.2	-178.1	0	0	0	0	0	113	A43 I44 Q49 F50 M54 V56 A74	A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 2.94Å; I44-A47 PolarHBondContact O-N 3.36Å; A47-Q49 PolarHBondContact O-N 3.47Å; A47-Q49 VanDerWaalsContact O-N 3.17Å; A47-F50 PolarHBondContact O-N 3.23Å; A47-M54 HydrophobicContact CB-CB 4.38Å; A47-M54 HydrophobicContact CB-CG 3.77Å; A47-V56 HydrophobicContact CB-CG2 3.54Å; A47-A74 HydrophobicContact CB-CB 4.42Å
48	K	91.7	Very high	90.7	Very high	94 Å²	94	57 Å²	57	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-56.8	-30.4	177.7	-72.4	-175.6	-167.9	-154.2	0	113.6	I44 F46 F50 G51 D101	I44-K48 HydrophobicContact CG2-CD 4.45Å; I44-K48 VanDerWaalsContact CG2-CE 3.47Å; I44-K48 WeakPolarHBondContact O-CG 3.32Å; I44-K48 PolarHBondContact O-N 3.32Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.16Å; K48-F50 PolarHBondContact O-N 3.01Å; K48-G51 PolarHBondContact O-N 3.28Å; K48-D101 WeakPolarHBondContact CE-OD2 3.26Å; K48-D101 IonicContact NZ-OD1 3.25Å; K48-D101 IonicContact NZ-OD2 3.34Å; K48-D101 PolarHBondContact NZ-OD2 3.38Å
49	Q	90.4	Very high	90.8	Very high	150 Å²	150	53 Å²	53	70%	0.701	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.4	179.4	-60.2	173.7	1.7	0	0	113.2	F46 A47	F46-Q49 WeakPolarHBondContact O-CB 3.4Å; F46-Q49 PolarHBondContact O-N 3.45Å; A47-Q49 PolarHBondContact O-N 3.47Å; A47-Q49 VanDerWaalsContact O-N 3.17Å
50	F	87.9	Confident	90	Very high	84 Å²	84	48.1 Å²	48.1	37%	0.368	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	2.8	-177	-66.4	-94.5	0	0	0	113.2	V33 F46 A47 K48 M54	V33-F50 HydrophobicContact CG1-CE1 4.34Å; V33-F50 HydrophobicContact CG1-CZ 4.03Å; V33-F50 HydrophobicContact CG2-CE1 4.14Å; V33-F50 HydrophobicContact CG2-CZ 4.4Å; F46-F50 HydrophobicContact CD1-CE2 4.19Å; F46-F50 HydrophobicContact CD2-CE2 4.39Å; F46-F50 HydrophobicContact CE1-CD2 4.33Å; F46-F50 AromaticContact CE1-CE2 3.65Å; F46-F50 HydrophobicContact CE1-CE2 3.65Å; F46-F50 HydrophobicContact CE1-CZ 4.31Å; F46-F50 AromaticContact CE2-CE2 3.87Å; F46-F50 HydrophobicContact CE2-CE2 3.87Å; F46-F50 HydrophobicContact CE2-CZ 4.37Å; F46-F50 AromaticContact CZ-CE2 3.47Å; F46-F50 HydrophobicContact CZ-CE2 3.47Å; F46-F50 VanDerWaalsContact CZ-CE2 3.47Å; F46-F50 AromaticContact CZ-CZ 3.84Å; F46-F50 HydrophobicContact CZ-CZ 3.84Å; F46-F50 WeakPolarHBondContact O-CD2 3.32Å; A47-F50 PolarHBondContact O-N 3.23Å; K48-F50 PolarHBondContact O-N 3.01Å; F50-M54 HydrophobicContact CB-CB 3.47Å; F50-M54 VanDerWaalsContact CB-CB 3.47Å; F50-M54 HydrophobicContact CB-CE 3.72Å; F50-M54 HydrophobicContact CB-CG 3.95Å; F50-M54 HydrophobicContact CD1-CE 3.47Å; F50-M54 VanDerWaalsContact CD1-CE 3.47Å; F50-M54 HydrophobicContact CD2-CE 3.67Å; F50-M54 HydrophobicContact CD2-CG 4.25Å; F50-M54 HydrophobicContact CE1-CE 3.93Å; F50-M54 HydrophobicContact CE2-CE 4.12Å; F50-M54 HydrophobicContact CG-CB 4.3Å; F50-M54 HydrophobicContact CG-CE 3.33Å; F50-M54 HydrophobicContact CG-CG 4.27Å; F50-M54 HydrophobicContact CZ-CE 4.23Å
51	G	85.4	Confident	88.6	Confident	38 Å²	38	47.5 Å²	47.5	39%	0.392	24%	0.236	S	C	.	.			trans	72.5	-157.4	-178	0	0	0	0	0	114	K48 E53 R102	K48-G51 PolarHBondContact O-N 3.28Å; G51-E53 PolarHBondContact O-N 3.37Å; G51-R102 PolarHBondContact O-NH2 3.16Å
52	Q	82.3	Confident	86.8	Confident	130 Å²	130	48.1 Å²	48.1	61%	0.607	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.7	-168.8	-67.3	-177	-3.8	0	0	114.1	M54 R102	Q52-M54 PolarHBondContact O-N 3.33Å; Q52-R102 PolarHBondContact O-NH1 3.26Å
53	E	81.7	Confident	84.5	Confident	123 Å²	123	49.1 Å²	49.1	58%	0.575	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.1	-178.4	-62.3	-166	157.6	0	0	113.6	G51	G51-E53 PolarHBondContact O-N 3.37Å
54	M	91.6	Very high	82.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.3	179.9	-170.5	66.9	71.9	0	0	109.9	T31 V33 A47 F50 Q52 S75 R102	T31-M54 HydrophobicContact CG2-CE 3.9Å; V33-M54 HydrophobicContact CB-CE 3.88Å; V33-M54 HydrophobicContact CG1-CE 3.71Å; A47-M54 HydrophobicContact CB-CB 4.38Å; A47-M54 HydrophobicContact CB-CG 3.77Å; F50-M54 HydrophobicContact CB-CB 3.47Å; F50-M54 VanDerWaalsContact CB-CB 3.47Å; F50-M54 HydrophobicContact CB-CE 3.72Å; F50-M54 HydrophobicContact CB-CG 3.95Å; F50-M54 HydrophobicContact CD1-CE 3.47Å; F50-M54 VanDerWaalsContact CD1-CE 3.47Å; F50-M54 HydrophobicContact CD2-CE 3.67Å; F50-M54 HydrophobicContact CD2-CG 4.25Å; F50-M54 HydrophobicContact CE1-CE 3.93Å; F50-M54 HydrophobicContact CE2-CE 4.12Å; F50-M54 HydrophobicContact CG-CB 4.3Å; F50-M54 HydrophobicContact CG-CE 3.33Å; F50-M54 HydrophobicContact CG-CG 4.27Å; F50-M54 HydrophobicContact CZ-CE 4.23Å; Q52-M54 PolarHBondContact O-N 3.33Å; M54-S75 VanDerWaalsContact SD-CA 3.5Å; M54-S75 PolarHBondContact SD-N 3.32Å; M54-R102 PolarHBondContact O-NH1 2.9Å; M54-R102 PolarHBondContact O-NH2 2.97Å
55	M	94.4	Very high	79.6	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	159.4	-179	-61.1	-67.3	-75.8	0	0	110.5	F57 A74 S75 I77 E96 R102 L307 T309	M55-F57 HydrophobicContact CB-CD2 4.28Å; M55-F57 HydrophobicContact CB-CE1 4.39Å; M55-F57 HydrophobicContact CB-CE2 3.53Å; M55-F57 HydrophobicContact CB-CZ 3.59Å; M55-F57 HydrophobicContact CG-CE2 4.45Å; M55-F57 HydrophobicContact CG-CZ 4.17Å; M55-A74 VanDerWaalsContact O-CA 3.31Å; M55-A74 WeakPolarHBondContact O-CA 3.29Å; M55-S75 PolarHBondContact N-O 3.31Å; M55-S75 PolarHBondContact O-N 3.49Å; M55-I77 HydrophobicContact CG-CD1 3.94Å; M55-I77 HydrophobicContact CG-CG1 3.49Å; M55-I77 VanDerWaalsContact CG-CG1 3.49Å; M55-I77 HydrophobicContact SD-CD1 4.41Å; M55-E96 HydrophobicContact CE-CG 4.23Å; M55-E96 WeakPolarHBondContact CE-OE1 3.34Å; M55-R102 PolarHBondContact SD-NH1 3.4Å; M55-L307 HydrophobicContact CE-CD1 4.28Å; M55-T309 WeakPolarHBondContact CE-OG1 3.44Å
56	V	96.3	Very high	77.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.1	168.2	-177.3	0	0	0	0	108.4	A43 I44 A47 F72 L73 V97 M99	A43-V56 HydrophobicContact CB-CG1 3.81Å; A43-V56 HydrophobicContact CB-CG2 4.38Å; I44-V56 HydrophobicContact CG1-CG2 4.26Å; A47-V56 HydrophobicContact CB-CG2 3.54Å; V56-F72 HydrophobicContact CG1-CB 4.35Å; V56-L73 WeakPolarHBondContact CA-O 3.49Å; V56-V97 HydrophobicContact CB-CB 4.03Å; V56-V97 HydrophobicContact CB-CG2 4.35Å; V56-V97 HydrophobicContact CG1-CB 3.96Å; V56-V97 HydrophobicContact CG1-CG2 3.76Å; V56-V97 WeakPolarHBondContact O-CB 3.24Å; V56-V97 PolarHBondContact O-N 3.46Å; V56-M99 HydrophobicContact CB-CE 4.47Å; V56-M99 HydrophobicContact CG2-CE 4.19Å; V56-M99 HydrophobicContact CG2-SD 4.13Å
57	F	95.7	Very high	75.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.7	172.3	-56.6	-78.8	0	0	0	109	M55 F72 L73 F80 Y95 L269 W303 L307	M55-F57 HydrophobicContact CB-CD2 4.28Å; M55-F57 HydrophobicContact CB-CE1 4.39Å; M55-F57 HydrophobicContact CB-CE2 3.53Å; M55-F57 HydrophobicContact CB-CZ 3.59Å; M55-F57 HydrophobicContact CG-CE2 4.45Å; M55-F57 HydrophobicContact CG-CZ 4.17Å; F57-F72 CarbonylContact O-C 3.57Å; F57-F72 WeakPolarHBondContact O-CA 3.18Å; F57-L73 PolarHBondContact N-O 2.8Å; F57-L73 PolarHBondContact O-N 3.42Å; F57-F80 HydrophobicContact CB-CD2 4.36Å; F57-F80 HydrophobicContact CB-CE2 3.84Å; F57-F80 HydrophobicContact CB-CZ 4.34Å; F57-F80 HydrophobicContact CD1-CD2 4.5Å; F57-F80 HydrophobicContact CD1-CE1 4.3Å; F57-F80 HydrophobicContact CD1-CE2 4.2Å; F57-F80 HydrophobicContact CD1-CZ 4.1Å; F57-F80 HydrophobicContact CD2-CB 4.28Å; F57-F80 HydrophobicContact CD2-CD1 4.35Å; F57-F80 AromaticContact CD2-CD2 3.31Å; F57-F80 HydrophobicContact CD2-CD2 3.31Å; F57-F80 AromaticContact CD2-CE2 3.65Å; F57-F80 HydrophobicContact CD2-CE2 3.65Å; F57-F80 AromaticContact CD2-CG 3.71Å; F57-F80 HydrophobicContact CD2-CG 3.71Å; F57-F80 HydrophobicContact CD2-CZ 4.31Å; F57-F80 HydrophobicContact CE1-CD1 4.22Å; F57-F80 HydrophobicContact CE1-CE1 4.25Å; F57-F80 HydrophobicContact CE1-CG 4.47Å; F57-F80 HydrophobicContact CE1-CZ 4.5Å; F57-F80 HydrophobicContact CE2-CB 3.69Å; F57-F80 AromaticContact CE2-CD1 3.98Å; F57-F80 HydrophobicContact CE2-CD1 3.98Å; F57-F80 AromaticContact CE2-CD2 3.6Å; F57-F80 HydrophobicContact CE2-CD2 3.6Å; F57-F80 HydrophobicContact CE2-CE2 4.24Å; F57-F80 AromaticContact CE2-CG 3.45Å; F57-F80 HydrophobicContact CE2-CG 3.45Å; F57-F80 VanDerWaalsContact CE2-CG 3.45Å; F57-F80 AromaticContact CG-CD2 3.81Å; F57-F80 HydrophobicContact CG-CD2 3.81Å; F57-F80 HydrophobicContact CG-CE1 4.47Å; F57-F80 AromaticContact CG-CE2 3.61Å; F57-F80 HydrophobicContact CG-CE2 3.61Å; F57-F80 HydrophobicContact CG-CG 4.32Å; F57-F80 AromaticContact CG-CZ 3.98Å; F57-F80 HydrophobicContact CG-CZ 3.98Å; F57-F80 HydrophobicContact CZ-CB 4.24Å; F57-F80 AromaticContact CZ-CD1 3.9Å; F57-F80 HydrophobicContact CZ-CD1 3.9Å; F57-F80 HydrophobicContact CZ-CD2 4.31Å; F57-F80 HydrophobicContact CZ-CE1 4.38Å; F57-F80 AromaticContact CZ-CG 3.87Å; F57-F80 HydrophobicContact CZ-CG 3.87Å; F57-Y95 CarbonylContact C-O 3.57Å; F57-Y95 WeakPolarHBondContact CA-O 3.16Å; F57-L269 HydrophobicContact CD1-CD1 3.73Å; F57-L269 HydrophobicContact CD1-CD2 4.15Å; F57-L269 HydrophobicContact CD1-CG 4.48Å; F57-L269 HydrophobicContact CE1-CD1 4.1Å; F57-L269 HydrophobicContact CE1-CD2 4.15Å; F57-W303 HydrophobicContact CE1-CH2 4.26Å; F57-L307 HydrophobicContact CE1-CD2 4.03Å; F57-L307 HydrophobicContact CZ-CD1 4.46Å
58	S	93.8	Very high	73.3	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.7	169	82.4	0	0	0	0	110.9	R70 S71 H94 Y95 N266	S58-R70 WeakPolarHBondContact OG-CD 3.39Å; S58-S71 CarbonylContact C-O 3.58Å; S58-S71 VanDerWaalsContact CA-O 3.25Å; S58-S71 WeakPolarHBondContact CA-O 2.9Å; S58-H94 CarbonylContact O-C 3.49Å; S58-H94 VanDerWaalsContact O-CA 3.28Å; S58-H94 WeakPolarHBondContact O-CA 3.42Å; S58-Y95 PolarHBondContact N-O 3.44Å; S58-Y95 PolarHBondContact O-N 2.86Å; S58-N266 WeakPolarHBondContact CB-OD1 3.33Å; S58-N266 PolarHBondContact OG-OD1 2.74Å
59	Y	85.4	Confident	72.1	Confident	33 Å²	33	63.4 Å²	63.4	13%	0.129	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.1	178.5	65.9	-80.5	0	0	0	111.1	I36 L64 R70 S71 L73 C93	I36-Y59 WeakPolarHBondContact CD1-OH 3.42Å; Y59-L64 HydrophobicContact CE2-CD1 4.41Å; Y59-R70 WeakPolarHBondContact O-CA 3.35Å; Y59-S71 PolarHBondContact N-O 2.98Å; Y59-S71 PolarHBondContact O-N 2.84Å; Y59-L73 HydrophobicContact CD1-CB 4.42Å; Y59-L73 HydrophobicContact CE1-CB 4.05Å; Y59-C93 VanDerWaalsContact CA-O 3.31Å; Y59-C93 WeakPolarHBondContact CA-O 3.17Å
60	E	70.8	Confident	71.6	Confident	37 Å²	37	60 Å²	60	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.2	177	-65.9	166.6	-147.8	0	0	108.1	R70 C93 L275	E60-R70 HydrophobicContact CG-CB 4.11Å; E60-R70 HydrophobicContact CG-CG 4.4Å; E60-R70 IonicContact OE1-CZ 3.43Å; E60-R70 IonicContact OE1-NE 3.18Å; E60-R70 PolarHBondContact OE1-NE 2.76Å; E60-R70 IonicContact OE1-NH2 3.01Å; E60-R70 PolarHBondContact OE1-NH2 3.13Å; E60-C93 PolarHBondContact N-O 3.27Å; E60-L275 HydrophobicContact CB-CD2 4.1Å
61	S	59.4	Low	71.5	Confident	31 Å²	31	56 Å²	56	22%	0.217	31%	0.314	C	S	.	.			trans	-134.3	133.8	177.1	-174.1	0	0	0	0	111.3	S63	S61-S63 PolarHBondContact O-N 2.86Å; S61-S63 PolarHBondContact OG-N 2.69Å; S61-S63 PolarHBondContact OG-OG 3.32Å
62	L	52.6	Low	71.7	Confident	112 Å²	112	55 Å²	55	59%	0.586	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-67.6	-24.4	171.4	-65.9	170.5	0	0	0	112.2	L64 L275	L62-L64 VanDerWaalsContact C-N 3.28Å; L62-L64 PolarHBondContact O-N 3.13Å; L62-L275 HydrophobicContact CD2-CD2 4.45Å; L62-L275 HydrophobicContact CG-CD1 4.27Å
63	S	44.7	Very low	72.2	Confident	90 Å²	90	49.1 Å²	49.1	63%	0.629	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-75.2	-10.5	-172.2	60.1	0	0	0	0	114.9	S61 G65	S61-S63 PolarHBondContact O-N 2.86Å; S61-S63 PolarHBondContact OG-N 2.69Å; S61-S63 PolarHBondContact OG-OG 3.32Å; S63-G65 PolarHBondContact O-N 2.98Å
64	L	45.8	Very low	72.8	Confident	72 Å²	72	43.3 Å²	43.3	38%	0.377	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-90.9	14.1	-171.9	-78.3	166.2	0	0	0	114.5	Y59 L62 N66	Y59-L64 HydrophobicContact CE2-CD1 4.41Å; L62-L64 VanDerWaalsContact C-N 3.28Å; L62-L64 PolarHBondContact O-N 3.13Å; L64-N66 PolarHBondContact O-N 2.76Å
65	G	38.5	Very low	72.8	Confident	67 Å²	67	43.2 Å²	43.2	69%	0.691	24%	0.244	S	C	*	.	S	Bend	trans	69.9	-17.4	178.4	0	0	0	0	0	115.3	S63	S63-G65 PolarHBondContact O-N 2.98Å
66	N	45.7	Very low	72.6	Confident	78 Å²	78	43.2 Å²	43.2	42%	0.417	24%	0.244	S	C	.	.	S	Bend	trans	-105.9	79.9	172	-61.4	-9.4	0	0	0	108.1	L64 G68 Q69	L64-N66 PolarHBondContact O-N 2.76Å; N66-G68 PolarHBondContact O-N 2.7Å; N66-G68 VanDerWaalsContact O-N 3.16Å; N66-Q69 HydrophobicContact CB-CB 3.9Å; N66-Q69 PolarHBondContact ND2-OE1 3.31Å; N66-Q69 PolarHBondContact O-N 3.34Å
67	E	49	Very low	72.4	Confident	166 Å²	166	43.5 Å²	43.5	78%	0.776	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	121.5	-174.1	-64.7	-174.4	167.8	0	0	111.9	Q69	E67-Q69 VanDerWaalsContact C-N 3.26Å; E67-Q69 PolarHBondContact O-N 3.06Å
68	G	55.3	Low	72.2	Confident	29 Å²	29	44.9 Å²	44.9	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	2.6	176	0	0	0	0	0	116.1	N66 R70	N66-G68 PolarHBondContact O-N 2.7Å; N66-G68 VanDerWaalsContact O-N 3.16Å; G68-R70 PolarHBondContact O-N 3.41Å
69	Q	67.5	Low	72	Confident	89 Å²	89	44.9 Å²	44.9	42%	0.416	25%	0.252	S	S	.	.			trans	-72.3	123.7	176	-167.4	179	28	0	0	110.9	N66 E67 S71	N66-Q69 HydrophobicContact CB-CB 3.9Å; N66-Q69 PolarHBondContact ND2-OE1 3.31Å; N66-Q69 PolarHBondContact O-N 3.34Å; E67-Q69 VanDerWaalsContact C-N 3.26Å; E67-Q69 PolarHBondContact O-N 3.06Å; Q69-S71 PolarHBondContact O-N 3.29Å
70	R	80	Confident	72.3	Confident	77 Å²	77	43.4 Å²	43.4	29%	0.291	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.5	178	-168.4	170.3	-71.8	172	3.3	111	S58 Y59 E60 G68 F72 N266	S58-R70 WeakPolarHBondContact OG-CD 3.39Å; Y59-R70 WeakPolarHBondContact O-CA 3.35Å; E60-R70 HydrophobicContact CG-CB 4.11Å; E60-R70 HydrophobicContact CG-CG 4.4Å; E60-R70 IonicContact OE1-CZ 3.43Å; E60-R70 IonicContact OE1-NE 3.18Å; E60-R70 PolarHBondContact OE1-NE 2.76Å; E60-R70 IonicContact OE1-NH2 3.01Å; E60-R70 PolarHBondContact OE1-NH2 3.13Å; G68-R70 PolarHBondContact O-N 3.41Å; R70-F72 HydrophobicContact CB-CZ 4.38Å; R70-F72 HydrophobicContact CG-CE1 4.08Å; R70-F72 HydrophobicContact CG-CE2 4.35Å; R70-F72 HydrophobicContact CG-CZ 3.85Å; R70-N266 PolarHBondContact NH1-ND2 3.17Å
71	S	84.8	Confident	73.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	155.9	168.7	-56.4	0	0	0	0	109.4	R38 S58 Y59 Q69	R38-S71 PolarHBondContact NH1-OG 2.82Å; S58-S71 CarbonylContact C-O 3.58Å; S58-S71 VanDerWaalsContact CA-O 3.25Å; S58-S71 WeakPolarHBondContact CA-O 2.9Å; Y59-S71 PolarHBondContact N-O 2.98Å; Y59-S71 PolarHBondContact O-N 2.84Å; Q69-S71 PolarHBondContact O-N 3.29Å
72	F	91	Very high	74.8	Confident	17 Å²	17	43.2 Å²	43.2	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	-176.5	-58.4	-85.6	0	0	0	109.8	I36 F37 Q40 A43 V56 F57 R70 V97	I36-F72 CarbonylContact C-O 3.52Å; I36-F72 WeakPolarHBondContact CA-O 3.47Å; F37-F72 HydrophobicContact CB-CB 4.46Å; F37-F72 PolarHBondContact N-O 3.12Å; F37-F72 PolarHBondContact O-N 2.83Å; Q40-F72 HydrophobicContact CB-CD1 3.96Å; Q40-F72 HydrophobicContact CB-CD2 4.22Å; Q40-F72 HydrophobicContact CB-CE1 3.58Å; Q40-F72 HydrophobicContact CB-CE2 3.87Å; Q40-F72 HydrophobicContact CB-CG 4.26Å; Q40-F72 HydrophobicContact CB-CZ 3.53Å; Q40-F72 HydrophobicContact CG-CD1 3.8Å; Q40-F72 HydrophobicContact CG-CE1 3.51Å; Q40-F72 HydrophobicContact CG-CG 4.5Å; Q40-F72 HydrophobicContact CG-CZ 4Å; Q40-F72 VanDerWaalsContact OE1-CE1 3.23Å; A43-F72 HydrophobicContact CB-CB 3.62Å; V56-F72 HydrophobicContact CG1-CB 4.35Å; F57-F72 CarbonylContact O-C 3.57Å; F57-F72 WeakPolarHBondContact O-CA 3.18Å; R70-F72 HydrophobicContact CB-CZ 4.38Å; R70-F72 HydrophobicContact CG-CE1 4.08Å; R70-F72 HydrophobicContact CG-CE2 4.35Å; R70-F72 HydrophobicContact CG-CZ 3.85Å; F72-V97 HydrophobicContact CD1-CG2 4.06Å; F72-V97 HydrophobicContact CE1-CG2 4.29Å
73	L	92.1	Very high	76.4	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.4	178.9	171.2	63.9	0	0	0	109.1	R34 K35 I36 V56 F57 Y59 F80	R34-L73 HydrophobicContact CB-CD1 4.18Å; K35-L73 WeakPolarHBondContact O-CA 3.43Å; I36-L73 HydrophobicContact CG1-CD1 3.96Å; V56-L73 WeakPolarHBondContact CA-O 3.49Å; F57-L73 PolarHBondContact N-O 2.8Å; F57-L73 PolarHBondContact O-N 3.42Å; Y59-L73 HydrophobicContact CD1-CB 4.42Å; Y59-L73 HydrophobicContact CE1-CB 4.05Å; L73-F80 HydrophobicContact CD2-CD2 3.77Å; L73-F80 HydrophobicContact CD2-CE2 4.01Å
74	A	94.3	Very high	78.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.4	163.8	0	0	0	0	0	109.2	R34 K35 F37 F46 A47 M55	R34-A74 WeakPolarHBondContact CA-O 3.45Å; K35-A74 PolarHBondContact N-O 3.07Å; K35-A74 PolarHBondContact O-N 3.46Å; F37-A74 HydrophobicContact CE2-CB 4.08Å; F46-A74 HydrophobicContact CD1-CB 3.55Å; F46-A74 HydrophobicContact CE1-CB 4.01Å; A47-A74 HydrophobicContact CB-CB 4.42Å; M55-A74 VanDerWaalsContact O-CA 3.31Å; M55-A74 WeakPolarHBondContact O-CA 3.29Å
75	S	92	Very high	80.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	148.1	-179.2	-171.3	0	0	0	0	112.3	V33 R34 M54 M55	V33-S75 WeakPolarHBondContact O-CA 3.43Å; V33-S75 PolarHBondContact O-OG 3.25Å; R34-S75 WeakPolarHBondContact CG-OG 3.5Å; R34-S75 PolarHBondContact NH1-OG 3.29Å; M54-S75 VanDerWaalsContact SD-CA 3.5Å; M54-S75 PolarHBondContact SD-N 3.32Å; M55-S75 PolarHBondContact N-O 3.31Å; M55-S75 PolarHBondContact O-N 3.49Å
76	G	91.1	Very high	82.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	147	166.3	0	0	0	0	0	111.8	Q78 S79 F80	G76-Q78 VanDerWaalsContact C-N 3.34Å; G76-Q78 PolarHBondContact O-N 3.24Å; G76-S79 PolarHBondContact O-N 3.3Å; G76-F80 WeakPolarHBondContact O-CB 3.41Å; G76-F80 PolarHBondContact O-N 3.27Å
77	I	91.9	Very high	84.7	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-44.5	-173	-63.6	172.8	0	0	0	112	M55 F80 F81 W300 W303 A304 L307 Y310	M55-I77 HydrophobicContact CG-CD1 3.94Å; M55-I77 HydrophobicContact CG-CG1 3.49Å; M55-I77 VanDerWaalsContact CG-CG1 3.49Å; M55-I77 HydrophobicContact SD-CD1 4.41Å; I77-F80 PolarHBondContact O-N 3.3Å; I77-F81 WeakPolarHBondContact O-CB 3.5Å; I77-F81 PolarHBondContact O-N 3.17Å; I77-W300 HydrophobicContact CG2-CE3 3.86Å; I77-W300 HydrophobicContact CG2-CZ3 4.27Å; I77-W303 HydrophobicContact CG2-CZ3 4.29Å; I77-A304 HydrophobicContact CG2-CB 3.9Å; I77-L307 HydrophobicContact CD1-CD1 4.21Å; I77-L307 HydrophobicContact CG1-CD1 4.27Å; I77-L307 HydrophobicContact CG2-CD1 4.23Å; I77-Y310 HydrophobicContact CD1-CD2 3.38Å; I77-Y310 HydrophobicContact CD1-CE2 4Å; I77-Y310 HydrophobicContact CD1-CG 4.24Å
78	Q	90.7	Very high	86.2	Confident	28 Å²	28	29.4 Å²	29.4	13%	0.131	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-46.1	-177.2	-56.4	88.1	-14	0	0	111.3	P30 G76 F80 F81 Y82 W300	P30-Q78 HydrophobicContact CB-CB 4.38Å; P30-Q78 VanDerWaalsContact CB-CD 3.48Å; P30-Q78 HydrophobicContact CB-CG 4.18Å; P30-Q78 HydrophobicContact CG-CB 3.93Å; P30-Q78 HydrophobicContact CG-CG 3.75Å; G76-Q78 VanDerWaalsContact C-N 3.34Å; G76-Q78 PolarHBondContact O-N 3.24Å; Q78-F80 VanDerWaalsContact C-N 3.34Å; Q78-F81 PolarHBondContact O-N 2.9Å; Q78-Y82 WeakPolarHBondContact O-CB 3.25Å; Q78-Y82 PolarHBondContact O-N 2.83Å; Q78-W300 HydrophobicContact CB-CD2 4.5Å; Q78-W300 HydrophobicContact CB-CG 4.42Å; Q78-W300 HydrophobicContact CG-CD2 3.5Å; Q78-W300 VanDerWaalsContact CG-CE2 3.44Å; Q78-W300 HydrophobicContact CG-CE3 3.93Å; Q78-W300 HydrophobicContact CG-CG 3.86Å; Q78-W300 HydrophobicContact CG-CH2 4.22Å; Q78-W300 HydrophobicContact CG-CZ2 3.82Å; Q78-W300 HydrophobicContact CG-CZ3 4.27Å; Q78-W300 VanDerWaalsContact NE2-CH2 3.29Å
79	S	89.2	Confident	87.5	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-42.7	176.7	-177.3	0	0	0	0	111.1	R34 G76 T83	R34-S79 WeakPolarHBondContact CD-OG 3.46Å; R34-S79 PolarHBondContact NH1-O 3.36Å; G76-S79 PolarHBondContact O-N 3.3Å; S79-T83 PolarHBondContact O-N 3.09Å; S79-T83 PolarHBondContact O-OG1 3.41Å
80	F	92.5	Very high	88	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-55.5	173.7	-178.2	-90	0	0	0	112	F57 L73 G76 I77 Q78 Y82 T83 Y84 H94 L269 W303	F57-F80 HydrophobicContact CB-CD2 4.36Å; F57-F80 HydrophobicContact CB-CE2 3.84Å; F57-F80 HydrophobicContact CB-CZ 4.34Å; F57-F80 HydrophobicContact CD1-CD2 4.5Å; F57-F80 HydrophobicContact CD1-CE1 4.3Å; F57-F80 HydrophobicContact CD1-CE2 4.2Å; F57-F80 HydrophobicContact CD1-CZ 4.1Å; F57-F80 HydrophobicContact CD2-CB 4.28Å; F57-F80 HydrophobicContact CD2-CD1 4.35Å; F57-F80 AromaticContact CD2-CD2 3.31Å; F57-F80 HydrophobicContact CD2-CD2 3.31Å; F57-F80 AromaticContact CD2-CE2 3.65Å; F57-F80 HydrophobicContact CD2-CE2 3.65Å; F57-F80 AromaticContact CD2-CG 3.71Å; F57-F80 HydrophobicContact CD2-CG 3.71Å; F57-F80 HydrophobicContact CD2-CZ 4.31Å; F57-F80 HydrophobicContact CE1-CD1 4.22Å; F57-F80 HydrophobicContact CE1-CE1 4.25Å; F57-F80 HydrophobicContact CE1-CG 4.47Å; F57-F80 HydrophobicContact CE1-CZ 4.5Å; F57-F80 HydrophobicContact CE2-CB 3.69Å; F57-F80 AromaticContact CE2-CD1 3.98Å; F57-F80 HydrophobicContact CE2-CD1 3.98Å; F57-F80 AromaticContact CE2-CD2 3.6Å; F57-F80 HydrophobicContact CE2-CD2 3.6Å; F57-F80 HydrophobicContact CE2-CE2 4.24Å; F57-F80 AromaticContact CE2-CG 3.45Å; F57-F80 HydrophobicContact CE2-CG 3.45Å; F57-F80 VanDerWaalsContact CE2-CG 3.45Å; F57-F80 AromaticContact CG-CD2 3.81Å; F57-F80 HydrophobicContact CG-CD2 3.81Å; F57-F80 HydrophobicContact CG-CE1 4.47Å; F57-F80 AromaticContact CG-CE2 3.61Å; F57-F80 HydrophobicContact CG-CE2 3.61Å; F57-F80 HydrophobicContact CG-CG 4.32Å; F57-F80 AromaticContact CG-CZ 3.98Å; F57-F80 HydrophobicContact CG-CZ 3.98Å; F57-F80 HydrophobicContact CZ-CB 4.24Å; F57-F80 AromaticContact CZ-CD1 3.9Å; F57-F80 HydrophobicContact CZ-CD1 3.9Å; F57-F80 HydrophobicContact CZ-CD2 4.31Å; F57-F80 HydrophobicContact CZ-CE1 4.38Å; F57-F80 AromaticContact CZ-CG 3.87Å; F57-F80 HydrophobicContact CZ-CG 3.87Å; L73-F80 HydrophobicContact CD2-CD2 3.77Å; L73-F80 HydrophobicContact CD2-CE2 4.01Å; G76-F80 WeakPolarHBondContact O-CB 3.41Å; G76-F80 PolarHBondContact O-N 3.27Å; I77-F80 PolarHBondContact O-N 3.3Å; Q78-F80 VanDerWaalsContact C-N 3.34Å; F80-Y82 VanDerWaalsContact C-N 3.28Å; F80-Y82 PolarHBondContact O-N 2.8Å; F80-T83 PolarHBondContact O-N 3.08Å; F80-Y84 HydrophobicContact CD1-CG 4.48Å; F80-Y84 HydrophobicContact CE1-CD1 4.3Å; F80-Y84 AromaticContact CE1-CD2 3.79Å; F80-Y84 HydrophobicContact CE1-CD2 3.79Å; F80-Y84 HydrophobicContact CE1-CE2 4.44Å; F80-Y84 AromaticContact CE1-CG 3.7Å; F80-Y84 HydrophobicContact CE1-CG 3.7Å; F80-Y84 AromaticContact CZ-CD2 3.75Å; F80-Y84 HydrophobicContact CZ-CD2 3.75Å; F80-Y84 HydrophobicContact CZ-CE2 4.33Å; F80-Y84 HydrophobicContact CZ-CG 4.13Å; F80-Y84 VanDerWaalsContact O-CB 3.24Å; F80-Y84 WeakPolarHBondContact O-CB 3.44Å; F80-Y84 PolarHBondContact O-N 2.9Å; F80-H94 AromaticContact CE2-CD2 3.88Å; F80-H94 HydrophobicContact CZ-CB 4.33Å; F80-H94 AromaticContact CZ-CD2 3.77Å; F80-L269 HydrophobicContact CE1-CD1 3.63Å; F80-L269 HydrophobicContact CZ-CD1 3.59Å; F80-W303 AromaticContact CD1-CH2 3.52Å; F80-W303 HydrophobicContact CD1-CH2 3.52Å; F80-W303 HydrophobicContact CD1-CZ2 4.36Å; F80-W303 AromaticContact CD1-CZ3 4Å; F80-W303 HydrophobicContact CD1-CZ3 4Å; F80-W303 AromaticContact CE1-CH2 3.48Å; F80-W303 HydrophobicContact CE1-CH2 3.48Å; F80-W303 VanDerWaalsContact CE1-CH2 3.48Å; F80-W303 AromaticContact CE1-CZ2 3.94Å; F80-W303 HydrophobicContact CE1-CZ2 3.94Å; F80-W303 HydrophobicContact CE1-CZ3 4.39Å
81	F	92.5	Very high	87.8	Confident	10 Å²	10	29.6 Å²	29.6	4%	0.044	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-41.3	-177.7	178.7	-102.9	0	0	0	112.1	I77 Q78 T83 Y84 K85 F293 W297 W300 W303	I77-F81 WeakPolarHBondContact O-CB 3.5Å; I77-F81 PolarHBondContact O-N 3.17Å; Q78-F81 PolarHBondContact O-N 2.9Å; F81-T83 VanDerWaalsContact C-N 3.32Å; F81-T83 PolarHBondContact O-N 2.95Å; F81-Y84 PolarHBondContact O-N 3.08Å; F81-K85 HydrophobicContact CD1-CD 4.32Å; F81-K85 HydrophobicContact CE1-CD 3.88Å; F81-K85 HydrophobicContact CZ-CB 4.43Å; F81-K85 HydrophobicContact CZ-CD 4.38Å; F81-K85 WeakPolarHBondContact O-CG 3.42Å; F81-K85 PolarHBondContact O-N 3.03Å; F81-F293 HydrophobicContact CD2-CE1 4.45Å; F81-F293 AromaticContact CE2-CE1 3.55Å; F81-F293 HydrophobicContact CE2-CE1 3.55Å; F81-F293 AromaticContact CE2-CZ 3.84Å; F81-F293 HydrophobicContact CE2-CZ 3.84Å; F81-F293 AromaticContact CZ-CE1 3.99Å; F81-F293 HydrophobicContact CZ-CE1 3.99Å; F81-W297 HydrophobicContact CE2-CB 4.48Å; F81-W297 HydrophobicContact CZ-CB 4.46Å; F81-W300 HydrophobicContact CB-CB 3.94Å; F81-W300 VanDerWaalsContact CD1-CA 3.5Å; F81-W300 HydrophobicContact CD1-CB 3.45Å; F81-W300 VanDerWaalsContact CD1-CB 3.45Å; F81-W300 HydrophobicContact CE1-CB 4.08Å; F81-W300 HydrophobicContact CG-CB 3.77Å; F81-W303 HydrophobicContact CB-CE3 4.19Å; F81-W303 HydrophobicContact CB-CZ3 4.42Å; F81-W303 HydrophobicContact CD2-CB 3.7Å; F81-W303 AromaticContact CD2-CD2 3.54Å; F81-W303 HydrophobicContact CD2-CD2 3.54Å; F81-W303 AromaticContact CD2-CE3 3.67Å; F81-W303 HydrophobicContact CD2-CE3 3.67Å; F81-W303 AromaticContact CD2-CG 3.56Å; F81-W303 HydrophobicContact CD2-CG 3.56Å; F81-W303 HydrophobicContact CD2-CZ3 4.49Å; F81-W303 HydrophobicContact CE2-CB 3.37Å; F81-W303 HydrophobicContact CE2-CD2 4.03Å; F81-W303 AromaticContact CE2-CG 3.5Å; F81-W303 HydrophobicContact CE2-CG 3.5Å; F81-W303 HydrophobicContact CG-CE3 4.32Å; F81-W303 HydrophobicContact CZ-CB 4.2Å
82	Y	89.1	Confident	87.9	Confident	53 Å²	53	30.2 Å²	30.2	21%	0.208	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-42.7	179.2	-176.9	-95.6	0	0	0	112.7	Q21 P22 Y23 Q78 F80 Q86	Q21-Y82 WeakPolarHBondContact O-CE1 3.4Å; P22-Y82 VanDerWaalsContact C-CE1 3.49Å; P22-Y82 VanDerWaalsContact O-CE1 3.31Å; P22-Y82 WeakPolarHBondContact O-CE1 3.27Å; P22-Y82 PolarHBondContact O-OH 3.32Å; Y23-Y82 AromaticContact CD2-CD1 3.89Å; Y23-Y82 HydrophobicContact CD2-CD1 3.89Å; Y23-Y82 HydrophobicContact CD2-CD2 4.08Å; Y23-Y82 AromaticContact CD2-CG 3.62Å; Y23-Y82 HydrophobicContact CD2-CG 3.62Å; Y23-Y82 HydrophobicContact CG-CD1 4.3Å; Y23-Y82 HydrophobicContact CG-CG 4.44Å; Q78-Y82 WeakPolarHBondContact O-CB 3.25Å; Q78-Y82 PolarHBondContact O-N 2.83Å; F80-Y82 VanDerWaalsContact C-N 3.28Å; F80-Y82 PolarHBondContact O-N 2.8Å; Y82-Q86 PolarHBondContact O-NE2 3.45Å
83	T	86.3	Confident	87.7	Confident	28 Å²	28	29.8 Å²	29.8	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-73.4	-44.4	173.6	-54.4	0	0	0	0	111.1	P20 S79 F80 F81 K85 Q86 M87	P20-T83 HydrophobicContact CB-CG2 4.41Å; S79-T83 PolarHBondContact O-N 3.09Å; S79-T83 PolarHBondContact O-OG1 3.41Å; F80-T83 PolarHBondContact O-N 3.08Å; F81-T83 VanDerWaalsContact C-N 3.32Å; F81-T83 PolarHBondContact O-N 2.95Å; T83-K85 PolarHBondContact O-N 2.77Å; T83-Q86 PolarHBondContact O-N 2.91Å; T83-Q86 VanDerWaalsContact O-N 3.15Å; T83-M87 PolarHBondContact O-N 3.44Å
84	Y	90.9	Very high	87.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-42.3	-173.5	-175.5	-107	0	0	0	113.1	F80 F81 Q86 M87 R92 H94 A270 G271 S272 F293 W303	F80-Y84 HydrophobicContact CD1-CG 4.48Å; F80-Y84 HydrophobicContact CE1-CD1 4.3Å; F80-Y84 AromaticContact CE1-CD2 3.79Å; F80-Y84 HydrophobicContact CE1-CD2 3.79Å; F80-Y84 HydrophobicContact CE1-CE2 4.44Å; F80-Y84 AromaticContact CE1-CG 3.7Å; F80-Y84 HydrophobicContact CE1-CG 3.7Å; F80-Y84 AromaticContact CZ-CD2 3.75Å; F80-Y84 HydrophobicContact CZ-CD2 3.75Å; F80-Y84 HydrophobicContact CZ-CE2 4.33Å; F80-Y84 HydrophobicContact CZ-CG 4.13Å; F80-Y84 VanDerWaalsContact O-CB 3.24Å; F80-Y84 WeakPolarHBondContact O-CB 3.44Å; F80-Y84 PolarHBondContact O-N 2.9Å; F81-Y84 PolarHBondContact O-N 3.08Å; Y84-Q86 PolarHBondContact O-N 3.21Å; Y84-M87 HydrophobicContact CD2-SD 4.31Å; Y84-M87 WeakPolarHBondContact O-CB 3.24Å; Y84-M87 PolarHBondContact O-N 2.66Å; Y84-M87 VanDerWaalsContact O-N 3.14Å; Y84-R92 HydrophobicContact CD2-CG 4.31Å; Y84-R92 HydrophobicContact CE2-CB 3.8Å; Y84-R92 HydrophobicContact CE2-CG 3.8Å; Y84-R92 PolarHBondContact O-NE 2.71Å; Y84-H94 HydrophobicContact CE2-CB 4.06Å; Y84-H94 AromaticContact CE2-CG 3.91Å; Y84-H94 AromaticContact CE2-ND1 3.81Å; Y84-A270 PolarHBondContact OH-O 3.22Å; Y84-G271 PolarHBondContact OH-O 3.12Å; Y84-S272 WeakPolarHBondContact OH-CA 3.44Å; Y84-S272 VanDerWaalsContact OH-CB 3.32Å; Y84-S272 WeakPolarHBondContact OH-CB 3.39Å; Y84-S272 PolarHBondContact OH-N 3.04Å; Y84-S272 VanDerWaalsContact OH-N 3.08Å; Y84-S272 PolarHBondContact OH-OG 2.77Å; Y84-F293 HydrophobicContact CD1-CE2 4.36Å; Y84-F293 AromaticContact CD1-CZ 3.86Å; Y84-F293 HydrophobicContact CD1-CZ 3.86Å; Y84-F293 AromaticContact CE1-CE2 3.9Å; Y84-F293 HydrophobicContact CE1-CE2 3.9Å; Y84-F293 AromaticContact CE1-CZ 3.83Å; Y84-F293 HydrophobicContact CE1-CZ 3.83Å; Y84-W303 HydrophobicContact CD1-CZ2 4.15Å; Y84-W303 HydrophobicContact CE1-CZ2 4.08Å; Y84-W303 AromaticContact CE1-NE1 3.92Å
85	K	88.9	Confident	87.9	Confident	96 Å²	96	31.4 Å²	31.4	42%	0.417	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25	178.8	74.1	179	-176.2	173.6	0	113.7	F81 T83 R92 F293	F81-K85 HydrophobicContact CD1-CD 4.32Å; F81-K85 HydrophobicContact CE1-CD 3.88Å; F81-K85 HydrophobicContact CZ-CB 4.43Å; F81-K85 HydrophobicContact CZ-CD 4.38Å; F81-K85 WeakPolarHBondContact O-CG 3.42Å; F81-K85 PolarHBondContact O-N 3.03Å; T83-K85 PolarHBondContact O-N 2.77Å; K85-R92 PolarHBondContact O-NH2 3.3Å; K85-R92 VanDerWaalsContact O-NH2 3.08Å; K85-F293 HydrophobicContact CB-CD1 3.92Å; K85-F293 HydrophobicContact CB-CE1 3.64Å
86	Q	85	Confident	88.1	Confident	68 Å²	68	31.4 Å²	31.4	32%	0.318	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.7	179.2	-62.4	178.9	71.6	0	0	112.7	P20 Q21 Y82 T83 Y84	P20-Q86 HydrophobicContact CB-CB 4.23Å; Q21-Q86 PolarHBondContact O-NE2 2.65Å; Y82-Q86 PolarHBondContact O-NE2 3.45Å; T83-Q86 PolarHBondContact O-N 2.91Å; T83-Q86 VanDerWaalsContact O-N 3.15Å; Y84-Q86 PolarHBondContact O-N 3.21Å
87	M	84.3	Confident	88.3	Confident	49 Å²	49	31.4 Å²	31.4	24%	0.241	17%	0.174	C	C	.	.	S	Bend	trans	-68.7	142.2	179.3	-60.9	-176.6	70	0	0	110.6	T83 Y84 S91 R92	T83-M87 PolarHBondContact O-N 3.44Å; Y84-M87 HydrophobicContact CD2-SD 4.31Å; Y84-M87 WeakPolarHBondContact O-CB 3.24Å; Y84-M87 PolarHBondContact O-N 2.66Å; Y84-M87 VanDerWaalsContact O-N 3.14Å; M87-S91 WeakPolarHBondContact CE-O 3.17Å; M87-R92 HydrophobicContact CB-CG 3.89Å; M87-R92 PolarHBondContact O-NE 3.22Å; M87-R92 PolarHBondContact O-NH2 3.05Å
88	A	80.5	Confident	88.4	Confident	52 Å²	52	31.1 Å²	31.1	43%	0.43	17%	0.173	S	C	.	.			trans	-57.2	140.1	167.4	0	0	0	0	0	110.1	S90 S91	A88-S90 PolarHBondContact O-N 3.12Å; A88-S90 VanDerWaalsContact O-N 3.17Å; A88-S91 WeakPolarHBondContact O-CB 3.08Å; A88-S91 PolarHBondContact O-N 3.29Å
89	P	83.1	Confident	88.4	Confident	62 Å²	62	29.8 Å²	29.8	40%	0.403	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-54.2	-38.2	-177.4	-27.3	34.2	0	0	0	114	S91 R92 L280	P89-S91 PolarHBondContact O-N 3.11Å; P89-R92 WeakPolarHBondContact O-CB 3.28Å; P89-R92 PolarHBondContact O-N 3.44Å; P89-R92 VanDerWaalsContact O-N 3.07Å; P89-L280 HydrophobicContact CB-CD1 3.8Å; P89-L280 HydrophobicContact CB-CD2 3.92Å; P89-L280 HydrophobicContact CB-CG 4.47Å
90	S	78.3	Confident	88.2	Confident	97 Å²	97	31.6 Å²	31.6	68%	0.678	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-64.2	-17.6	176.5	60.1	0	0	0	0	114.6	A88	A88-S90 PolarHBondContact O-N 3.12Å; A88-S90 VanDerWaalsContact O-N 3.17Å
91	S	76.4	Confident	87.7	Confident	41 Å²	41	35.1 Å²	35.1	29%	0.287	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-96.6	-4.8	178	-58	0	0	0	0	112.3	M87 A88 P89 C93	M87-S91 WeakPolarHBondContact CE-O 3.17Å; A88-S91 WeakPolarHBondContact O-CB 3.08Å; A88-S91 PolarHBondContact O-N 3.29Å; P89-S91 PolarHBondContact O-N 3.11Å; S91-C93 PolarHBondContact O-N 3.37Å; S91-C93 VanDerWaalsContact O-N 3.1Å
92	R	86.2	Confident	87.6	Confident	14 Å²	14	35.3 Å²	35.3	5%	0.053	20%	0.197	C	C	.	.			trans	-86.4	77	-178.8	-63.6	177.9	-161.2	175.5	-1.5	109.7	Y84 K85 M87 P89 G271 S272 C273	Y84-R92 HydrophobicContact CD2-CG 4.31Å; Y84-R92 HydrophobicContact CE2-CB 3.8Å; Y84-R92 HydrophobicContact CE2-CG 3.8Å; Y84-R92 PolarHBondContact O-NE 2.71Å; K85-R92 PolarHBondContact O-NH2 3.3Å; K85-R92 VanDerWaalsContact O-NH2 3.08Å; M87-R92 HydrophobicContact CB-CG 3.89Å; M87-R92 PolarHBondContact O-NE 3.22Å; M87-R92 PolarHBondContact O-NH2 3.05Å; P89-R92 WeakPolarHBondContact O-CB 3.28Å; P89-R92 PolarHBondContact O-N 3.44Å; P89-R92 VanDerWaalsContact O-N 3.07Å; R92-G271 WeakPolarHBondContact CB-O 3.45Å; R92-G271 WeakPolarHBondContact CD-O 3.33Å; R92-S272 VanDerWaalsContact C-OG 3.23Å; R92-S272 CarbonylContact O-C 3.43Å; R92-S272 WeakPolarHBondContact O-CA 3.33Å; R92-S272 WeakPolarHBondContact O-CB 3.47Å; R92-S272 PolarHBondContact O-OG 3.46Å; R92-C273 PolarHBondContact O-N 3.18Å
93	C	87.1	Confident	87.8	Confident	7 Å²	7	33.4 Å²	33.4	5%	0.047	19%	0.191	C	C	.	.			trans	-105.7	60.5	175	-61.5	0	0	0	0	111.5	Y59 E60 S91	Y59-C93 VanDerWaalsContact CA-O 3.31Å; Y59-C93 WeakPolarHBondContact CA-O 3.17Å; E60-C93 PolarHBondContact N-O 3.27Å; S91-C93 PolarHBondContact O-N 3.37Å; S91-C93 VanDerWaalsContact O-N 3.1Å
94	H	92.9	Very high	88.2	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.065	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150	-168.5	-61.7	65	0	0	0	112.4	S58 F80 Y84 L269 S272	S58-H94 CarbonylContact O-C 3.49Å; S58-H94 VanDerWaalsContact O-CA 3.28Å; S58-H94 WeakPolarHBondContact O-CA 3.42Å; F80-H94 AromaticContact CE2-CD2 3.88Å; F80-H94 HydrophobicContact CZ-CB 4.33Å; F80-H94 AromaticContact CZ-CD2 3.77Å; Y84-H94 HydrophobicContact CE2-CB 4.06Å; Y84-H94 AromaticContact CE2-CG 3.91Å; Y84-H94 AromaticContact CE2-ND1 3.81Å; H94-L269 HydrophobicContact CB-CD1 3.58Å; H94-L269 HydrophobicContact CB-CG 4.21Å; H94-L269 PolarHBondContact O-N 3.31Å; H94-L269 VanDerWaalsContact O-N 3.08Å; H94-S272 PolarHBondContact N-OG 3.37Å; H94-S272 WeakPolarHBondContact O-CB 3.32Å; H94-S272 PolarHBondContact O-OG 3.48Å
95	Y	96.1	Very high	88.4	Confident	27 Å²	27	32.5 Å²	32.5	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.4	178.6	-55.4	-103.8	0	0	0	109.2	F57 S58 N266 F267 R268	F57-Y95 CarbonylContact C-O 3.57Å; F57-Y95 WeakPolarHBondContact CA-O 3.16Å; S58-Y95 PolarHBondContact N-O 3.44Å; S58-Y95 PolarHBondContact O-N 2.86Å; Y95-N266 HydrophobicContact CD1-CB 4.34Å; Y95-N266 HydrophobicContact CG-CB 4.27Å; Y95-F267 CarbonylContact C-O 3.57Å; Y95-F267 WeakPolarHBondContact CA-O 3.13Å; Y95-F267 WeakPolarHBondContact CB-O 3.29Å; Y95-R268 VanDerWaalsContact CD1-CA 3.42Å; Y95-R268 HydrophobicContact CD1-CB 3.76Å; Y95-R268 HydrophobicContact CD1-CG 4.45Å; Y95-R268 HydrophobicContact CE1-CB 3.72Å; Y95-R268 HydrophobicContact CE1-CG 4.18Å
96	E	97.1	Very high	88.8	Confident	1 Å²	1	28 Å²	28	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.5	160.8	-178.4	178.4	178.7	0	0	108.7	M55 I98 N266 F267 L269 L307 V308 T309	M55-E96 HydrophobicContact CE-CG 4.23Å; M55-E96 WeakPolarHBondContact CE-OE1 3.34Å; E96-I98 HydrophobicContact CG-CG1 4.38Å; E96-N266 CarbonylContact O-C 3.49Å; E96-N266 VanDerWaalsContact O-CA 3.32Å; E96-N266 WeakPolarHBondContact O-CA 3.22Å; E96-F267 PolarHBondContact N-O 3.49Å; E96-F267 PolarHBondContact O-N 3.4Å; E96-L269 HydrophobicContact CB-CD2 3.73Å; E96-L307 VanDerWaalsContact OE2-CA 3.31Å; E96-L307 WeakPolarHBondContact OE2-CA 3.36Å; E96-V308 PolarHBondContact OE1-N 2.98Å; E96-V308 PolarHBondContact OE2-N 3.3Å; E96-T309 WeakPolarHBondContact OE1-CB 3.48Å; E96-T309 PolarHBondContact OE1-N 2.81Å; E96-T309 PolarHBondContact OE1-OG1 3.33Å
97	V	95.9	Very high	89.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	105.6	165.1	-178.7	0	0	0	0	107.4	Q40 I44 V56 F72 M99 N264 N266	Q40-V97 HydrophobicContact CG-CG1 4.09Å; I44-V97 HydrophobicContact CD1-CG1 4.15Å; V56-V97 HydrophobicContact CB-CB 4.03Å; V56-V97 HydrophobicContact CB-CG2 4.35Å; V56-V97 HydrophobicContact CG1-CB 3.96Å; V56-V97 HydrophobicContact CG1-CG2 3.76Å; V56-V97 WeakPolarHBondContact O-CB 3.24Å; V56-V97 PolarHBondContact O-N 3.46Å; F72-V97 HydrophobicContact CD1-CG2 4.06Å; F72-V97 HydrophobicContact CE1-CG2 4.29Å; V97-M99 PolarHBondContact O-N 3.4Å; V97-N264 HydrophobicContact CG1-CB 4.26Å; V97-N266 WeakPolarHBondContact CG2-OD1 3.45Å
98	I	93.6	Very high	90.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	93.5	179	-58.1	176.3	0	0	0	108.4	E96 Y107 N177 N264 R265 F267 V308 T309	E96-I98 HydrophobicContact CG-CG1 4.38Å; I98-Y107 HydrophobicContact CD1-CD2 4.37Å; I98-Y107 HydrophobicContact CD1-CE1 3.93Å; I98-Y107 HydrophobicContact CD1-CE2 3.62Å; I98-Y107 WeakPolarHBondContact CD1-OH 3.44Å; I98-N177 HydrophobicContact CG2-CB 3.72Å; I98-N264 WeakPolarHBondContact O-CA 3.45Å; I98-N264 PolarHBondContact O-N 3.44Å; I98-R265 PolarHBondContact N-O 2.93Å; I98-F267 HydrophobicContact CD1-CB 3.55Å; I98-F267 HydrophobicContact CD1-CG 4.09Å; I98-F267 HydrophobicContact CG1-CB 4.07Å; I98-V308 HydrophobicContact CD1-CB 4.02Å; I98-V308 HydrophobicContact CD1-CG1 3.96Å; I98-V308 HydrophobicContact CD1-CG2 3.96Å; I98-V308 HydrophobicContact CG1-CB 4.24Å; I98-V308 HydrophobicContact CG1-CG1 4.36Å; I98-V308 HydrophobicContact CG2-CG1 4.38Å; I98-T309 HydrophobicContact CG2-CG2 3.97Å
99	M	90.2	Very high	90.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.			trans	-64.1	132.7	-180	-73.8	174.8	-84.3	0	0	111.1	I44 V56 V97 D101 R102	I44-M99 HydrophobicContact CD1-CG 4.26Å; I44-M99 HydrophobicContact CG1-CG 4.02Å; I44-M99 HydrophobicContact CG1-SD 4.23Å; I44-M99 HydrophobicContact CG2-CG 4.4Å; I44-M99 HydrophobicContact CG2-SD 4.21Å; V56-M99 HydrophobicContact CB-CE 4.47Å; V56-M99 HydrophobicContact CG2-CE 4.19Å; V56-M99 HydrophobicContact CG2-SD 4.13Å; V97-M99 PolarHBondContact O-N 3.4Å; M99-D101 PolarHBondContact O-N 2.88Å; M99-R102 HydrophobicContact CB-CB 4.49Å; M99-R102 HydrophobicContact CB-CG 4.07Å; M99-R102 PolarHBondContact O-N 3Å
100	V	84.3	Confident	91.6	Very high	39 Å²	39	17.8 Å²	17.8	24%	0.236	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.6	-176.7	63.5	0	0	0	0	113.7	S176 L178 R263 N264	V100-S176 WeakPolarHBondContact O-CB 3.42Å; V100-L178 HydrophobicContact CG2-CD1 3.53Å; V100-L178 HydrophobicContact CG2-CG 3.89Å; V100-R263 HydrophobicContact CB-CB 4.39Å; V100-R263 HydrophobicContact CB-CG 4.37Å; V100-R263 HydrophobicContact CG2-CG 4.01Å; V100-N264 PolarHBondContact N-OD1 2.74Å; V100-N264 VanDerWaalsContact N-OD1 3.11Å
101	D	83.3	Confident	92.4	Very high	76 Å²	76	16 Å²	16	41%	0.406	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	19.9	-176.4	60.8	-34.7	0	0	0	113.2	K48 M99	K48-D101 WeakPolarHBondContact CE-OD2 3.26Å; K48-D101 IonicContact NZ-OD1 3.25Å; K48-D101 IonicContact NZ-OD2 3.34Å; K48-D101 PolarHBondContact NZ-OD2 3.38Å; M99-D101 PolarHBondContact O-N 2.88Å
102	R	90.3	Very high	93.3	Very high	15 Å²	15	14.8 Å²	14.8	6%	0.057	7%	0.074	C	C	.	.	S	Bend	trans	-117.8	144.3	175.2	-69.1	-159.6	179	-178	-0.8	112.4	G51 Q52 M54 M55 M99 A104 Q175 T309	G51-R102 PolarHBondContact O-NH2 3.16Å; Q52-R102 PolarHBondContact O-NH1 3.26Å; M54-R102 PolarHBondContact O-NH1 2.9Å; M54-R102 PolarHBondContact O-NH2 2.97Å; M55-R102 PolarHBondContact SD-NH1 3.4Å; M99-R102 HydrophobicContact CB-CB 4.49Å; M99-R102 HydrophobicContact CB-CG 4.07Å; M99-R102 PolarHBondContact O-N 3Å; R102-A104 PolarHBondContact O-N 2.92Å; R102-Q175 CarbonylContact C-O 3.53Å; R102-T309 HydrophobicContact CB-CG2 4.23Å
103	P	92.8	Very high	93.6	Very high	13 Å²	13	14.9 Å²	14.9	8%	0.084	8%	0.077	C	C	.	.			trans	-54.4	140.6	165.6	-23.3	33.7	0	0	0	110.7	L173 F174 F318	P103-L173 HydrophobicContact CB-CD1 4.14Å; P103-L173 HydrophobicContact CB-CD2 4Å; P103-L173 HydrophobicContact CB-CG 3.98Å; P103-F174 CarbonylContact C-O 3.59Å; P103-F174 WeakPolarHBondContact CA-O 2.99Å; P103-F318 HydrophobicContact CB-CD1 3.92Å; P103-F318 HydrophobicContact CB-CE1 3.5Å; P103-F318 HydrophobicContact CB-CZ 4.36Å; P103-F318 HydrophobicContact CG-CD1 3.99Å; P103-F318 HydrophobicContact CG-CE1 3.3Å; P103-F318 HydrophobicContact CG-CZ 3.67Å
104	A	94.4	Very high	93.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.4	-177.3	0	0	0	0	0	109.1	R102 F174 N177 Q180 V308 T309	R102-A104 PolarHBondContact O-N 2.92Å; A104-F174 PolarHBondContact N-O 2.84Å; A104-F174 PolarHBondContact O-N 3.2Å; A104-N177 HydrophobicContact CB-CB 4.34Å; A104-Q180 PolarHBondContact O-NE2 3.19Å; A104-V308 HydrophobicContact CB-CG1 3.83Å; A104-T309 HydrophobicContact CB-CG2 4.25Å
105	K	95.8	Very high	93.9	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.048	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	153.7	166.8	-67.6	179.8	-64.3	-164.1	0	109.2	Y107 I166 N168 L173 Q180 R305 L307 V308 Y310	K105-Y107 WeakPolarHBondContact O-CD1 3.49Å; K105-Y107 PolarHBondContact O-N 3.43Å; K105-I166 HydrophobicContact CB-CG2 4.36Å; K105-I166 HydrophobicContact CD-CG2 4.32Å; K105-N168 WeakPolarHBondContact CD-OD1 3.09Å; K105-N168 WeakPolarHBondContact CE-OD1 3.37Å; K105-N168 PolarHBondContact NZ-OD1 2.84Å; K105-L173 HydrophobicContact CG-CD1 4.06Å; K105-Q180 PolarHBondContact O-NE2 2.56Å; K105-Q180 PolarHBondContact O-OE1 2.75Å; K105-R305 PolarHBondContact NZ-O 2.88Å; K105-L307 WeakPolarHBondContact CE-O 3.5Å; K105-L307 PolarHBondContact NZ-O 3.34Å; K105-V308 PolarHBondContact N-O 3.15Å; K105-Y310 WeakPolarHBondContact CE-O 3.37Å; K105-Y310 PolarHBondContact NZ-O 2.88Å
106	L	97.3	Very high	93.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.			trans	-65.1	126.6	172	-166.4	151.8	0	0	0	109.5	L108 L133 I137 I167 L172 F174 L183	L106-L108 HydrophobicContact CD2-CD2 3.9Å; L106-L108 HydrophobicContact CD2-CG 4.19Å; L106-L133 HydrophobicContact CD1-CD1 4.14Å; L106-L133 HydrophobicContact CD2-CD2 3.7Å; L106-I137 HydrophobicContact CD1-CD1 4.07Å; L106-I137 HydrophobicContact CD1-CG1 4.47Å; L106-I167 HydrophobicContact CB-CB 4.38Å; L106-I167 HydrophobicContact CB-CD1 4.36Å; L106-I167 HydrophobicContact CD2-CD1 3.79Å; L106-I167 HydrophobicContact CD2-CG1 4.2Å; L106-I167 HydrophobicContact CG-CD1 4.49Å; L106-I167 PolarHBondContact O-N 3.29Å; L106-L172 HydrophobicContact CB-CD2 3.85Å; L106-L172 HydrophobicContact CD1-CD2 4.17Å; L106-F174 HydrophobicContact CB-CD2 4.49Å; L106-F174 HydrophobicContact CB-CE2 4.17Å; L106-F174 HydrophobicContact CD1-CE2 3.91Å; L106-F174 HydrophobicContact CD1-CZ 4.34Å; L106-F174 HydrophobicContact CG-CE2 4.46Å; L106-L183 HydrophobicContact CD1-CD2 3.75Å
107	Y	98.1	Very high	93.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.8	176.9	70.3	-74.6	0	0	0	111.5	I98 K105 V165 N177 Q180 V260 Y261 F267 V308	I98-Y107 HydrophobicContact CD1-CD2 4.37Å; I98-Y107 HydrophobicContact CD1-CE1 3.93Å; I98-Y107 HydrophobicContact CD1-CE2 3.62Å; I98-Y107 WeakPolarHBondContact CD1-OH 3.44Å; K105-Y107 WeakPolarHBondContact O-CD1 3.49Å; K105-Y107 PolarHBondContact O-N 3.43Å; Y107-V165 CarbonylContact C-O 3.45Å; Y107-V165 WeakPolarHBondContact CA-O 3.38Å; Y107-V165 WeakPolarHBondContact CB-O 3.49Å; Y107-N177 HydrophobicContact CE1-CB 4.14Å; Y107-Q180 VanDerWaalsContact CD1-OE1 3.29Å; Y107-V260 HydrophobicContact CD2-CG2 4.32Å; Y107-V260 HydrophobicContact CE2-CB 3.84Å; Y107-V260 HydrophobicContact CE2-CG2 3.56Å; Y107-V260 PolarHBondContact OH-O 3.43Å; Y107-Y261 HydrophobicContact CD1-CE1 4.47Å; Y107-Y261 HydrophobicContact CE1-CD1 4.26Å; Y107-Y261 HydrophobicContact CE1-CE1 4.05Å; Y107-Y261 HydrophobicContact CE2-CE1 4.45Å; Y107-Y261 WeakPolarHBondContact O-CE1 3.14Å; Y107-Y261 PolarHBondContact O-OH 3.09Å; Y107-F267 AromaticContact CD2-CD2 3.88Å; Y107-F267 HydrophobicContact CD2-CD2 3.88Å; Y107-F267 HydrophobicContact CD2-CE1 4.25Å; Y107-F267 AromaticContact CD2-CE2 3.53Å; Y107-F267 HydrophobicContact CD2-CE2 3.53Å; Y107-F267 HydrophobicContact CD2-CG 4.37Å; Y107-F267 AromaticContact CD2-CZ 3.7Å; Y107-F267 HydrophobicContact CD2-CZ 3.7Å; Y107-F267 AromaticContact CE2-CD2 3.89Å; Y107-F267 HydrophobicContact CE2-CD2 3.89Å; Y107-F267 AromaticContact CE2-CE2 3.97Å; Y107-F267 HydrophobicContact CE2-CE2 3.97Å; Y107-F267 HydrophobicContact CE2-CG 4.42Å; Y107-F267 HydrophobicContact CG-CZ 4.48Å; Y107-V308 HydrophobicContact CD1-CB 4.32Å; Y107-V308 HydrophobicContact CD1-CG1 3.33Å; Y107-V308 HydrophobicContact CD1-CG2 3.98Å; Y107-V308 HydrophobicContact CD2-CG2 4.07Å; Y107-V308 HydrophobicContact CE1-CG1 3.62Å; Y107-V308 HydrophobicContact CG-CG1 3.97Å; Y107-V308 HydrophobicContact CG-CG2 3.69Å
108	L	98.4	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.2	177.9	-49.2	175.5	0	0	0	109.6	L106 I110 F129 L130 L133 H164 V165 I184	L106-L108 HydrophobicContact CD2-CD2 3.9Å; L106-L108 HydrophobicContact CD2-CG 4.19Å; L108-I110 HydrophobicContact CB-CD1 4.35Å; L108-I110 HydrophobicContact CB-CG1 4.1Å; L108-I110 HydrophobicContact CD1-CD1 4Å; L108-F129 HydrophobicContact CD1-CD1 3.8Å; L108-F129 HydrophobicContact CD1-CE1 3.92Å; L108-F129 HydrophobicContact CD2-CE1 4.03Å; L108-L130 HydrophobicContact CD1-CD2 3.91Å; L108-L133 HydrophobicContact CD1-CD2 3.78Å; L108-L133 HydrophobicContact CD2-CD2 4.05Å; L108-L133 HydrophobicContact CG-CD2 4.29Å; L108-H164 WeakPolarHBondContact O-CA 3.44Å; L108-V165 HydrophobicContact CB-CB 4.09Å; L108-V165 HydrophobicContact CB-CG2 4.45Å; L108-V165 HydrophobicContact CD1-CB 4.17Å; L108-V165 HydrophobicContact CD1-CG2 4.37Å; L108-V165 HydrophobicContact CG-CB 4.26Å; L108-V165 PolarHBondContact N-O 3.34Å; L108-V165 PolarHBondContact O-N 3.16Å; L108-I184 HydrophobicContact CD2-CD1 3.71Å; L108-I184 HydrophobicContact CD2-CG1 4.38Å
109	D	97	Very high	93	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.4	164.7	-167.3	-4.8	0	0	0	107.8	H164 C256 D257 V260 F267	D109-H164 IonicContact OD1-CD2 3.68Å; D109-H164 PolarHBondContact OD1-CD2 2.89Å; D109-H164 IonicContact OD1-NE2 3.92Å; D109-C256 CarbonylContact O-C 3.41Å; D109-C256 WeakPolarHBondContact O-CA 3.35Å; D109-D257 HydrophobicContact CB-CB 4.38Å; D109-D257 PolarHBondContact O-N 3.48Å; D109-V260 HydrophobicContact CB-CG1 3.65Å; D109-F267 HydrophobicContact CB-CE2 4.25Å
110	I	98.2	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.2	-176.4	-60.4	176.2	0	0	0	109	L108 V126 F161 S162 Q163 V165 V255 C256	L108-I110 HydrophobicContact CB-CD1 4.35Å; L108-I110 HydrophobicContact CB-CG1 4.1Å; L108-I110 HydrophobicContact CD1-CD1 4Å; I110-V126 HydrophobicContact CB-CG2 4.26Å; I110-V126 HydrophobicContact CD1-CB 4.37Å; I110-V126 HydrophobicContact CD1-CG1 4.27Å; I110-V126 HydrophobicContact CD1-CG2 3.87Å; I110-V126 HydrophobicContact CG2-CG2 3.82Å; I110-F161 HydrophobicContact CG2-CE1 4.04Å; I110-S162 CarbonylContact O-C 3.46Å; I110-S162 WeakPolarHBondContact O-CA 3.49Å; I110-Q163 PolarHBondContact N-O 3.39Å; I110-Q163 PolarHBondContact O-N 2.97Å; I110-V165 HydrophobicContact CD1-CG2 4.25Å; I110-V255 CarbonylContact C-O 3.58Å; I110-V255 VanDerWaalsContact CA-O 3.3Å; I110-V255 WeakPolarHBondContact CA-O 3.4Å; I110-V255 HydrophobicContact CG2-CB 3.97Å; I110-V255 HydrophobicContact CG2-CG2 3.8Å; I110-C256 HydrophobicContact CG1-CB 4.5Å
111	E	95.5	Very high	93.7	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	149	-176.7	58.7	173.6	-104.2	0	0	114.3	K160 F161 V255	E111-K160 WeakPolarHBondContact OE1-CE 3.32Å; E111-K160 IonicContact OE1-NZ 2.57Å; E111-K160 PolarHBondContact OE1-NZ 3.45Å; E111-K160 WeakPolarHBondContact OE2-CE 3.4Å; E111-K160 IonicContact OE2-NZ 2.8Å; E111-K160 PolarHBondContact OE2-NZ 2.88Å; E111-F161 VanDerWaalsContact CA-O 3.27Å; E111-F161 WeakPolarHBondContact CA-O 3.36Å; E111-F161 WeakPolarHBondContact CB-O 3.39Å; E111-V255 PolarHBondContact N-O 2.86Å
112	F	94.6	Very high	94.4	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.9	169.1	59.5	-91.9	0	0	0	112.1	K114 N117 K120 F161 A237 V255	F112-K114 HydrophobicContact CE2-CG 4.4Å; F112-N117 HydrophobicContact CD2-CB 3.97Å; F112-N117 HydrophobicContact CE2-CB 4.29Å; F112-K120 HydrophobicContact CD1-CD 4.24Å; F112-K120 HydrophobicContact CD2-CD 4.07Å; F112-K120 HydrophobicContact CE1-CD 4.07Å; F112-K120 HydrophobicContact CE2-CB 4.14Å; F112-K120 HydrophobicContact CE2-CD 3.9Å; F112-K120 HydrophobicContact CE2-CG 4.15Å; F112-K120 HydrophobicContact CG-CD 4.23Å; F112-K120 HydrophobicContact CZ-CB 4.38Å; F112-K120 HydrophobicContact CZ-CD 3.9Å; F112-K120 HydrophobicContact CZ-CG 4Å; F112-F161 HydrophobicContact CD1-CB 3.85Å; F112-F161 AromaticContact CD1-CD1 3.71Å; F112-F161 HydrophobicContact CD1-CD1 3.71Å; F112-F161 HydrophobicContact CD1-CG 4.05Å; F112-F161 HydrophobicContact CD2-CB 4.09Å; F112-F161 HydrophobicContact CE1-CB 3.53Å; F112-F161 AromaticContact CE1-CD1 3.29Å; F112-F161 HydrophobicContact CE1-CD1 3.29Å; F112-F161 HydrophobicContact CE1-CD2 4.26Å; F112-F161 HydrophobicContact CE1-CE1 4.02Å; F112-F161 AromaticContact CE1-CG 3.42Å; F112-F161 HydrophobicContact CE1-CG 3.42Å; F112-F161 VanDerWaalsContact CE1-CG 3.42Å; F112-F161 HydrophobicContact CE2-CB 3.79Å; F112-F161 HydrophobicContact CE2-CG 4.44Å; F112-F161 HydrophobicContact CG-CB 4.12Å; F112-F161 HydrophobicContact CZ-CB 3.49Å; F112-F161 VanDerWaalsContact CZ-CB 3.49Å; F112-F161 HydrophobicContact CZ-CD1 4.03Å; F112-F161 HydrophobicContact CZ-CD2 4.22Å; F112-F161 AromaticContact CZ-CG 3.65Å; F112-F161 HydrophobicContact CZ-CG 3.65Å; F112-F161 PolarHBondContact N-O 3.44Å; F112-F161 VanDerWaalsContact N-O 3.16Å; F112-F161 PolarHBondContact O-N 2.92Å; F112-A237 HydrophobicContact CB-CB 3.57Å; F112-A237 HydrophobicContact CG-CB 4.2Å; F112-V255 HydrophobicContact CD1-CG1 4.16Å
113	C	93.3	Very high	94.6	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.108	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.8	175.1	-176.5	0	0	0	0	110.4	L115 S116 N117 K240	C113-L115 VanDerWaalsContact C-N 3.34Å; C113-L115 PolarHBondContact O-N 3.22Å; C113-S116 PolarHBondContact O-N 2.96Å; C113-N117 WeakPolarHBondContact O-CB 3.34Å; C113-N117 PolarHBondContact O-N 2.87Å; C113-N117 PolarHBondContact O-ND2 3.38Å; C113-K240 HydrophobicContact CB-CD 4.49Å; C113-K240 HydrophobicContact CB-CG 3.55Å
114	K	93.9	Very high	94.9	Very high	72 Å²	72	41.8 Å²	41.8	31%	0.313	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-66.4	-36.8	179.5	-68.3	-176.4	173.6	-179.7	0	112.2	F112 S116 N117 Q118 T157 K159 F161	F112-K114 HydrophobicContact CE2-CG 4.4Å; K114-S116 PolarHBondContact O-N 3.09Å; K114-N117 CarbonylContact O-C 3.21Å; K114-N117 PolarHBondContact O-N 2.87Å; K114-N117 VanDerWaalsContact O-N 3.1Å; K114-Q118 WeakPolarHBondContact O-CA 3.44Å; K114-Q118 PolarHBondContact O-N 3.01Å; K114-T157 WeakPolarHBondContact CD-O 3.49Å; K114-T157 WeakPolarHBondContact CE-O 3.43Å; K114-T157 PolarHBondContact NZ-O 3.23Å; K114-K159 PolarHBondContact N-O 3.03Å; K114-F161 HydrophobicContact CG-CB 4.39Å
115	L	91	Very high	95	Very high	103 Å²	103	41.8 Å²	41.8	54%	0.539	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-62	-30.1	179.7	-66.2	174.6	0	0	0	113.2	C113 Q118	C113-L115 VanDerWaalsContact C-N 3.34Å; C113-L115 PolarHBondContact O-N 3.22Å; L115-Q118 PolarHBondContact O-NE2 3.06Å
116	S	90.4	Very high	95.2	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-95	-4.4	-179.9	-50.3	0	0	0	0	112.8	C113 K114 P239 K240 L241	C113-S116 PolarHBondContact O-N 2.96Å; K114-S116 PolarHBondContact O-N 3.09Å; S116-P239 WeakPolarHBondContact CB-O 3.13Å; S116-K240 WeakPolarHBondContact OG-CA 3.21Å; S116-L241 PolarHBondContact OG-N 3.35Å
117	N	93.7	Very high	95.2	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	23%	0.234	C	C	.	.			trans	-142.5	57.4	-174.9	-62.9	-92.2	0	0	0	108.5	F112 C113 K114 D119 K120 A237 L238	F112-N117 HydrophobicContact CD2-CB 3.97Å; F112-N117 HydrophobicContact CE2-CB 4.29Å; C113-N117 WeakPolarHBondContact O-CB 3.34Å; C113-N117 PolarHBondContact O-N 2.87Å; C113-N117 PolarHBondContact O-ND2 3.38Å; K114-N117 CarbonylContact O-C 3.21Å; K114-N117 PolarHBondContact O-N 2.87Å; K114-N117 VanDerWaalsContact O-N 3.1Å; N117-D119 VanDerWaalsContact C-N 3.3Å; N117-D119 PolarHBondContact O-N 3.32Å; N117-K120 HydrophobicContact CB-CB 3.79Å; N117-K120 HydrophobicContact CB-CD 4.13Å; N117-K120 WeakPolarHBondContact O-CB 3.47Å; N117-K120 PolarHBondContact O-N 3.05Å; N117-A237 WeakPolarHBondContact OD1-CA 3.36Å; N117-A237 WeakPolarHBondContact OD1-CB 3.41Å; N117-L238 PolarHBondContact ND2-O 3.11Å; N117-L238 PolarHBondContact OD1-N 3.39Å
118	Q	89.9	Confident	95.2	Very high	155 Å²	155	46.1 Å²	46.1	72%	0.724	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.1	-168.1	-64.3	-178.6	11	0	0	112.6	K114 L115 K120	K114-Q118 WeakPolarHBondContact O-CA 3.44Å; K114-Q118 PolarHBondContact O-N 3.01Å; L115-Q118 PolarHBondContact O-NE2 3.06Å; Q118-K120 VanDerWaalsContact C-N 3.33Å
119	D	90	Very high	95.2	Very high	167 Å²	167	46.1 Å²	46.1	89%	0.893	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.6	-179.2	-51.1	-51.5	0	0	0	113.3	N117 D121	N117-D119 VanDerWaalsContact C-N 3.3Å; N117-D119 PolarHBondContact O-N 3.32Å; D119-D121 PolarHBondContact O-N 2.85Å
120	K	94.3	Very high	95.3	Very high	36 Å²	36	45.8 Å²	45.8	16%	0.157	24%	0.236	C	C	.	.			trans	-85.5	117.9	-175	-170.7	176.6	-174.5	69.5	0	111.3	F112 N117 Q118 G122 N234 F236 A237	F112-K120 HydrophobicContact CD1-CD 4.24Å; F112-K120 HydrophobicContact CD2-CD 4.07Å; F112-K120 HydrophobicContact CE1-CD 4.07Å; F112-K120 HydrophobicContact CE2-CB 4.14Å; F112-K120 HydrophobicContact CE2-CD 3.9Å; F112-K120 HydrophobicContact CE2-CG 4.15Å; F112-K120 HydrophobicContact CG-CD 4.23Å; F112-K120 HydrophobicContact CZ-CB 4.38Å; F112-K120 HydrophobicContact CZ-CD 3.9Å; F112-K120 HydrophobicContact CZ-CG 4Å; N117-K120 HydrophobicContact CB-CB 3.79Å; N117-K120 HydrophobicContact CB-CD 4.13Å; N117-K120 WeakPolarHBondContact O-CB 3.47Å; N117-K120 PolarHBondContact O-N 3.05Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; K120-G122 PolarHBondContact O-N 3Å; K120-N234 WeakPolarHBondContact CE-O 3.35Å; K120-N234 VanDerWaalsContact NZ-C 3.32Å; K120-N234 PolarHBondContact NZ-O 3.49Å; K120-F236 VanDerWaalsContact CE-O 3.26Å; K120-F236 WeakPolarHBondContact CE-O 3.25Å; K120-F236 PolarHBondContact NZ-O 2.87Å; K120-A237 HydrophobicContact CD-CB 4.21Å
121	D	96.7	Very high	95.3	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	26%	0.256	S	S	.	.			trans	-77.6	113.8	168	-170	-25.4	0	0	0	110.4	D119 E123 V124 A125	D119-D121 PolarHBondContact O-N 2.85Å; D121-E123 VanDerWaalsContact C-N 3.33Å; D121-E123 WeakPolarHBondContact OD1-CA 3.36Å; D121-E123 WeakPolarHBondContact OD1-CB 2.87Å; D121-E123 PolarHBondContact OD1-N 2.69Å; D121-V124 HydrophobicContact CB-CB 4Å; D121-V124 HydrophobicContact CB-CG2 3.86Å; D121-V124 PolarHBondContact OD1-N 3.2Å; D121-A125 PolarHBondContact O-N 3.35Å; D121-A125 VanDerWaalsContact O-N 3.08Å
122	G	96.3	Very high	95.5	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	24%	0.242	C	C	.	.	H	α-helix	trans	-69.1	-29.3	178.9	0	0	0	0	0	113.7	K120 A125 V126 F161	K120-G122 PolarHBondContact O-N 3Å; G122-A125 WeakPolarHBondContact O-CB 3.31Å; G122-A125 PolarHBondContact O-N 3.4Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.45Å; G122-F161 WeakPolarHBondContact O-CZ 3.49Å
123	E	95.8	Very high	95.7	Very high	49 Å²	49	46.7 Å²	46.7	23%	0.229	24%	0.239	C	C	.	.	H	α-helix	trans	-71.8	-42.6	177.5	-67.4	-62.4	167	0	0	111.1	D121 A125 V126 N127 Q163 K284	D121-E123 VanDerWaalsContact C-N 3.33Å; D121-E123 WeakPolarHBondContact OD1-CA 3.36Å; D121-E123 WeakPolarHBondContact OD1-CB 2.87Å; D121-E123 PolarHBondContact OD1-N 2.69Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.16Å; E123-V126 PolarHBondContact O-N 2.79Å; E123-N127 WeakPolarHBondContact O-CB 2.96Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.24Å; E123-N127 PolarHBondContact O-ND2 3.36Å; E123-N127 VanDerWaalsContact O-ND2 3.16Å; E123-Q163 PolarHBondContact OE1-NE2 2.71Å; E123-K284 VanDerWaalsContact CD-CE 3.44Å; E123-K284 WeakPolarHBondContact OE1-CE 3.44Å; E123-K284 IonicContact OE1-NZ 2.8Å; E123-K284 PolarHBondContact OE1-NZ 2.8Å; E123-K284 WeakPolarHBondContact OE2-CE 3.09Å; E123-K284 IonicContact OE2-NZ 3.41Å; E123-K284 PolarHBondContact OE2-NZ 2.91Å
124	V	97.9	Very high	95.9	Very high	56 Å²	56	47.3 Å²	47.3	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-41.7	172.3	176.4	0	0	0	0	110.4	D121 T128 N234	D121-V124 HydrophobicContact CB-CB 4Å; D121-V124 HydrophobicContact CB-CG2 3.86Å; D121-V124 PolarHBondContact OD1-N 3.2Å; V124-T128 VanDerWaalsContact O-CB 3.23Å; V124-T128 WeakPolarHBondContact O-CB 3.29Å; V124-T128 PolarHBondContact O-N 3.29Å; V124-T128 PolarHBondContact O-OG1 3.49Å; V124-N234 HydrophobicContact CG1-CB 4.26Å; V124-N234 WeakPolarHBondContact CG1-ND2 3.37Å
125	A	98	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-47.6	176.1	0	0	0	0	0	112.6	D121 G122 E123 F129 N234	D121-A125 PolarHBondContact O-N 3.35Å; D121-A125 VanDerWaalsContact O-N 3.08Å; G122-A125 WeakPolarHBondContact O-CB 3.31Å; G122-A125 PolarHBondContact O-N 3.4Å; E123-A125 VanDerWaalsContact C-N 3.29Å; E123-A125 PolarHBondContact O-N 3.16Å; A125-F129 WeakPolarHBondContact O-CB 3.16Å; A125-F129 PolarHBondContact O-N 3.28Å; A125-N234 WeakPolarHBondContact CA-O 3.25Å; A125-N234 WeakPolarHBondContact CB-O 3.18Å
126	V	98.3	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-48.2	179.1	170.9	0	0	0	0	111.2	I110 G122 E123 T128 F129 L130 I152 F161 Q163 V165	I110-V126 HydrophobicContact CB-CG2 4.26Å; I110-V126 HydrophobicContact CD1-CB 4.37Å; I110-V126 HydrophobicContact CD1-CG1 4.27Å; I110-V126 HydrophobicContact CD1-CG2 3.87Å; I110-V126 HydrophobicContact CG2-CG2 3.82Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.45Å; E123-V126 PolarHBondContact O-N 2.79Å; V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 3.26Å; V126-F129 PolarHBondContact O-N 3.32Å; V126-L130 HydrophobicContact CG1-CD1 3.83Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.41Å; V126-L130 WeakPolarHBondContact O-CG 3.48Å; V126-L130 PolarHBondContact O-N 3.28Å; V126-I152 HydrophobicContact CG1-CD1 4.14Å; V126-F161 HydrophobicContact CG2-CE1 3.71Å; V126-F161 HydrophobicContact CG2-CZ 3.69Å; V126-Q163 HydrophobicContact CG2-CB 4.45Å; V126-V165 HydrophobicContact CG1-CG2 4.41Å
127	N	98.1	Very high	96.9	Very high	88 Å²	88	39.1 Å²	39.1	47%	0.471	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-39.4	-179.7	-69.7	-29.4	0	0	0	111.9	E123 L130 K131	E123-N127 WeakPolarHBondContact O-CB 2.96Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.24Å; E123-N127 PolarHBondContact O-ND2 3.36Å; E123-N127 VanDerWaalsContact O-ND2 3.16Å; N127-L130 PolarHBondContact O-N 3.31Å; N127-K131 WeakPolarHBondContact O-CB 3.4Å; N127-K131 PolarHBondContact O-N 2.9Å
128	T	98.5	Very high	97.1	Very high	13 Å²	13	42 Å²	42	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-44.7	176.5	-54.7	0	0	0	0	111.1	V124 V126 L130 K131 A132 L227 D231	V124-T128 VanDerWaalsContact O-CB 3.23Å; V124-T128 WeakPolarHBondContact O-CB 3.29Å; V124-T128 PolarHBondContact O-N 3.29Å; V124-T128 PolarHBondContact O-OG1 3.49Å; V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 3.26Å; T128-L130 VanDerWaalsContact C-N 3.35Å; T128-L130 PolarHBondContact O-N 2.88Å; T128-K131 PolarHBondContact O-N 2.95Å; T128-A132 PolarHBondContact O-N 2.94Å; T128-A132 VanDerWaalsContact O-N 3.09Å; T128-L227 HydrophobicContact CG2-CD1 3.78Å; T128-D231 HydrophobicContact CG2-CB 3.88Å; T128-D231 WeakPolarHBondContact CG2-O 3.29Å
129	F	98.7	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-43.7	177.1	-162.2	-78.6	0	0	0	111.2	L108 A125 V126 A132 L133 I184 L187 L191 C235 V255 C256	L108-F129 HydrophobicContact CD1-CD1 3.8Å; L108-F129 HydrophobicContact CD1-CE1 3.92Å; L108-F129 HydrophobicContact CD2-CE1 4.03Å; A125-F129 WeakPolarHBondContact O-CB 3.16Å; A125-F129 PolarHBondContact O-N 3.28Å; V126-F129 PolarHBondContact O-N 3.32Å; F129-A132 PolarHBondContact O-N 3.41Å; F129-L133 WeakPolarHBondContact O-CB 3.32Å; F129-L133 PolarHBondContact O-N 3.35Å; F129-I184 HydrophobicContact CZ-CG2 4.32Å; F129-L187 HydrophobicContact CD1-CD2 4.42Å; F129-L187 HydrophobicContact CE1-CD2 3.8Å; F129-L187 HydrophobicContact CZ-CD2 3.94Å; F129-L187 HydrophobicContact CZ-CG 4.48Å; F129-L191 HydrophobicContact CD2-CD1 4.14Å; F129-L191 HydrophobicContact CE2-CD1 4.14Å; F129-C235 HydrophobicContact CD2-CB 4.04Å; F129-V255 HydrophobicContact CD2-CG2 4.38Å; F129-C256 HydrophobicContact CD2-CB 4.38Å; F129-C256 HydrophobicContact CE1-CB 4.22Å; F129-C256 HydrophobicContact CE2-CB 3.62Å; F129-C256 HydrophobicContact CZ-CB 3.52Å
130	L	98.6	Very high	97.8	Very high	11 Å²	11	32 Å²	32	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-38.5	177.6	-72.8	174.6	0	0	0	112.8	L108 V126 N127 T128 L133 C134 I150 I152 V165	L108-L130 HydrophobicContact CD1-CD2 3.91Å; V126-L130 HydrophobicContact CG1-CD1 3.83Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.41Å; V126-L130 WeakPolarHBondContact O-CG 3.48Å; V126-L130 PolarHBondContact O-N 3.28Å; N127-L130 PolarHBondContact O-N 3.31Å; T128-L130 VanDerWaalsContact C-N 3.35Å; T128-L130 PolarHBondContact O-N 2.88Å; L130-L133 HydrophobicContact CD2-CD2 4.31Å; L130-L133 PolarHBondContact O-N 2.96Å; L130-C134 WeakPolarHBondContact O-CB 3.44Å; L130-C134 PolarHBondContact O-N 2.67Å; L130-C134 PolarHBondContact O-SG 3.3Å; L130-I150 HydrophobicContact CD1-CG2 4.02Å; L130-I150 HydrophobicContact CD2-CG2 4.46Å; L130-I152 HydrophobicContact CD1-CD1 4.08Å; L130-V165 HydrophobicContact CD2-CG1 3.94Å
131	K	98.5	Very high	97.9	Very high	94 Å²	94	32.4 Å²	32.4	41%	0.409	17%	0.165	S	C	.	.	H	α-helix	trans	-59.1	-51.3	174.7	-175.6	-179.1	177.6	-173.2	0	111	N127 T128 L133 A135 I225	N127-K131 WeakPolarHBondContact O-CB 3.4Å; N127-K131 PolarHBondContact O-N 2.9Å; T128-K131 PolarHBondContact O-N 2.95Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 2.79Å; K131-A135 PolarHBondContact O-N 2.96Å; K131-I225 WeakPolarHBondContact CE-O 3.48Å; K131-I225 HydrophobicContact CG-CD1 4.24Å; K131-I225 PolarHBondContact NZ-O 3.49Å
132	A	98.8	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-37.5	177.7	0	0	0	0	0	112.4	T128 F129 S136 L187 L191 F222 L227	T128-A132 PolarHBondContact O-N 2.94Å; T128-A132 VanDerWaalsContact O-N 3.09Å; F129-A132 PolarHBondContact O-N 3.41Å; A132-S136 WeakPolarHBondContact O-CB 3.18Å; A132-S136 PolarHBondContact O-N 2.91Å; A132-S136 PolarHBondContact O-OG 2.7Å; A132-L187 HydrophobicContact CB-CD1 3.88Å; A132-L191 HydrophobicContact CB-CD1 4.47Å; A132-L191 HydrophobicContact CB-CD2 4.02Å; A132-F222 HydrophobicContact CB-CE1 4.03Å; A132-L227 HydrophobicContact CB-CD1 4.24Å
133	L	98.7	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-48	177.3	176.6	62.2	0	0	0	112.5	L106 L108 F129 L130 K131 A135 S136 I137 I167 L183 I184 L187	L106-L133 HydrophobicContact CD1-CD1 4.14Å; L106-L133 HydrophobicContact CD2-CD2 3.7Å; L108-L133 HydrophobicContact CD1-CD2 3.78Å; L108-L133 HydrophobicContact CD2-CD2 4.05Å; L108-L133 HydrophobicContact CG-CD2 4.29Å; F129-L133 WeakPolarHBondContact O-CB 3.32Å; F129-L133 PolarHBondContact O-N 3.35Å; L130-L133 HydrophobicContact CD2-CD2 4.31Å; L130-L133 PolarHBondContact O-N 2.96Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 2.79Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.18Å; L133-S136 WeakPolarHBondContact O-CB 3.4Å; L133-S136 PolarHBondContact O-N 3.47Å; L133-S136 VanDerWaalsContact O-N 3.12Å; L133-I137 HydrophobicContact CD1-CD1 3.96Å; L133-I137 HydrophobicContact CD1-CG1 4.13Å; L133-I137 HydrophobicContact CD2-CD1 4.46Å; L133-I137 HydrophobicContact CG-CD1 3.75Å; L133-I137 HydrophobicContact CG-CG1 4.38Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.01Å; L133-I137 PolarHBondContact O-N 3.22Å; L133-I167 HydrophobicContact CD2-CD1 4.26Å; L133-L183 HydrophobicContact CD1-CD2 4.23Å; L133-I184 HydrophobicContact CD1-CD1 3.77Å; L133-L187 HydrophobicContact CB-CD2 3.74Å; L133-L187 HydrophobicContact CD1-CD2 3.8Å; L133-L187 HydrophobicContact CG-CD2 4.35Å
134	C	98.6	Very high	97.9	Very high	30 Å²	30	36.1 Å²	36.1	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-39.8	179.4	-65.5	0	0	0	0	111	L130 I137 Q138	L130-C134 WeakPolarHBondContact O-CB 3.44Å; L130-C134 PolarHBondContact O-N 2.67Å; L130-C134 PolarHBondContact O-SG 3.3Å; C134-I137 PolarHBondContact O-N 2.64Å; C134-Q138 PolarHBondContact O-N 3.45Å
135	A	98.5	Very high	97.9	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-40.9	173.7	0	0	0	0	0	112.3	K131 L133 I137 Q138 F139 I221 I225	K131-A135 PolarHBondContact O-N 2.96Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.18Å; A135-I137 VanDerWaalsContact C-N 3.35Å; A135-Q138 PolarHBondContact O-N 3.15Å; A135-F139 WeakPolarHBondContact O-CB 3.38Å; A135-F139 PolarHBondContact O-N 3.2Å; A135-I221 HydrophobicContact CB-CG2 3.6Å; A135-I225 HydrophobicContact CB-CD1 3.64Å; A135-I225 HydrophobicContact CB-CG2 3.68Å
136	S	98.5	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-38.6	175.4	-57.3	0	0	0	0	111.9	A132 L133 F139 F140	A132-S136 WeakPolarHBondContact O-CB 3.18Å; A132-S136 PolarHBondContact O-N 2.91Å; A132-S136 PolarHBondContact O-OG 2.7Å; L133-S136 WeakPolarHBondContact O-CB 3.4Å; L133-S136 PolarHBondContact O-N 3.47Å; L133-S136 VanDerWaalsContact O-N 3.12Å; S136-F139 PolarHBondContact O-N 3.12Å; S136-F140 WeakPolarHBondContact O-CD2 3.43Å; S136-F140 PolarHBondContact O-N 3.44Å
137	I	98.2	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-45.4	176.1	-69.2	161.3	0	0	0	110.3	L106 L133 C134 A135 F139 Y141 V143 I145 I167 L172 L183	L106-I137 HydrophobicContact CD1-CD1 4.07Å; L106-I137 HydrophobicContact CD1-CG1 4.47Å; L133-I137 HydrophobicContact CD1-CD1 3.96Å; L133-I137 HydrophobicContact CD1-CG1 4.13Å; L133-I137 HydrophobicContact CD2-CD1 4.46Å; L133-I137 HydrophobicContact CG-CD1 3.75Å; L133-I137 HydrophobicContact CG-CG1 4.38Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.01Å; L133-I137 PolarHBondContact O-N 3.22Å; C134-I137 PolarHBondContact O-N 2.64Å; A135-I137 VanDerWaalsContact C-N 3.35Å; I137-F139 VanDerWaalsContact C-N 3.33Å; I137-F139 PolarHBondContact O-N 3.42Å; I137-Y141 HydrophobicContact CG2-CD2 4.21Å; I137-Y141 WeakPolarHBondContact O-CB 3.16Å; I137-Y141 PolarHBondContact O-N 3.3Å; I137-V143 HydrophobicContact CG2-CB 3.96Å; I137-V143 HydrophobicContact CG2-CG1 4.38Å; I137-V143 WeakPolarHBondContact CG2-O 3.35Å; I137-I145 HydrophobicContact CD1-CG1 4.19Å; I137-I145 HydrophobicContact CG2-CD1 4.37Å; I137-I145 HydrophobicContact CG2-CG1 4.13Å; I137-I167 HydrophobicContact CD1-CD1 3.97Å; I137-L172 HydrophobicContact CD1-CD2 3.73Å; I137-L172 HydrophobicContact CG1-CD1 4.44Å; I137-L172 HydrophobicContact CG1-CD2 4.33Å; I137-L172 HydrophobicContact CG2-CD1 3.6Å; I137-L172 HydrophobicContact CG2-CD2 4.2Å; I137-L172 HydrophobicContact CG2-CG 4.5Å; I137-L183 HydrophobicContact CG1-CD2 4.34Å
138	Q	97.9	Very high	97.6	Very high	74 Å²	74	45.9 Å²	45.9	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-44.3	174.6	-178.6	60.3	39.4	0	0	111.1	C134 A135 D142 V143	C134-Q138 PolarHBondContact O-N 3.45Å; A135-Q138 PolarHBondContact O-N 3.15Å; Q138-D142 PolarHBondContact NE2-OD1 3.15Å; Q138-D142 VanDerWaalsContact O-CA 3.22Å; Q138-D142 WeakPolarHBondContact O-CA 3.44Å; Q138-D142 PolarHBondContact O-N 2.88Å; Q138-V143 PolarHBondContact OE1-O 3.26Å
139	F	97.8	Very high	97.4	Very high	77 Å²	77	46.9 Å²	46.9	34%	0.338	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-48.2	179.2	172.8	-111.4	0	0	0	113.4	A135 S136 I137 H216 L217 I221	A135-F139 WeakPolarHBondContact O-CB 3.38Å; A135-F139 PolarHBondContact O-N 3.2Å; S136-F139 PolarHBondContact O-N 3.12Å; I137-F139 VanDerWaalsContact C-N 3.33Å; I137-F139 PolarHBondContact O-N 3.42Å; F139-H216 HydrophobicContact CE1-CB 4.31Å; F139-H216 HydrophobicContact CZ-CB 3.87Å; F139-L217 HydrophobicContact CD1-CD2 3.84Å; F139-L217 HydrophobicContact CE1-CD2 4.38Å; F139-L217 HydrophobicContact CG-CD2 4.44Å; F139-I221 HydrophobicContact CB-CD1 4.03Å; F139-I221 HydrophobicContact CB-CG1 4.15Å; F139-I221 HydrophobicContact CD2-CD1 3.67Å; F139-I221 HydrophobicContact CD2-CG1 4.04Å; F139-I221 HydrophobicContact CE2-CD1 4.39Å; F139-I221 HydrophobicContact CG-CD1 3.99Å; F139-I221 HydrophobicContact CG-CG1 3.99Å
140	F	97.1	Very high	97.4	Very high	37 Å²	37	48.7 Å²	48.7	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-81.3	-27.9	-174.4	-71.7	-60.8	0	0	0	114.1	S136 L183 I186 Q213 L217 P322	S136-F140 WeakPolarHBondContact O-CD2 3.43Å; S136-F140 PolarHBondContact O-N 3.44Å; F140-L183 HydrophobicContact CD2-CD1 3.51Å; F140-L183 HydrophobicContact CE2-CD1 3.8Å; F140-I186 HydrophobicContact CE2-CG2 4.48Å; F140-I186 HydrophobicContact CZ-CG2 4.19Å; F140-Q213 HydrophobicContact CE1-CB 4.02Å; F140-Q213 HydrophobicContact CE1-CG 3.98Å; F140-Q213 HydrophobicContact CZ-CB 4.02Å; F140-Q213 HydrophobicContact CZ-CG 4.47Å; F140-L217 HydrophobicContact CE2-CD1 4.08Å; F140-L217 HydrophobicContact CE2-CD2 4.19Å; F140-L217 HydrophobicContact CE2-CG 4.44Å; F140-L217 HydrophobicContact CZ-CD1 4.27Å; F140-L217 HydrophobicContact CZ-CD2 4.4Å; F140-L217 HydrophobicContact CZ-CG 4.37Å; F140-P322 HydrophobicContact CB-CB 4.13Å; F140-P322 HydrophobicContact CD1-CB 3.46Å; F140-P322 VanDerWaalsContact CD1-CB 3.46Å; F140-P322 HydrophobicContact CD2-CB 3.98Å; F140-P322 HydrophobicContact CE1-CB 3.77Å; F140-P322 HydrophobicContact CE2-CB 4.27Å; F140-P322 HydrophobicContact CG-CB 3.59Å; F140-P322 HydrophobicContact CZ-CB 4.19Å
141	Y	96.2	Very high	97.3	Very high	43 Å²	43	49.6 Å²	49.6	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-130.7	-2.5	-168.1	-47.4	-63.3	0	0	0	114.3	I137 V143 L172 F174 L183 I319 H320 P322	I137-Y141 HydrophobicContact CG2-CD2 4.21Å; I137-Y141 WeakPolarHBondContact O-CB 3.16Å; I137-Y141 PolarHBondContact O-N 3.3Å; Y141-V143 WeakPolarHBondContact O-CG2 3.44Å; Y141-V143 PolarHBondContact O-N 3.25Å; Y141-L172 HydrophobicContact CD2-CD1 4.22Å; Y141-F174 HydrophobicContact CE2-CE1 4.42Å; Y141-F174 AromaticContact CE2-CZ 3.94Å; Y141-F174 HydrophobicContact CE2-CZ 3.94Å; Y141-L183 HydrophobicContact CE2-CD1 4.39Å; Y141-L183 HydrophobicContact CE2-CD2 4.02Å; Y141-I319 HydrophobicContact CD1-CD1 4.45Å; Y141-I319 HydrophobicContact CD1-CG2 3.48Å; Y141-I319 VanDerWaalsContact CD1-CG2 3.48Å; Y141-I319 HydrophobicContact CD2-CG2 4.34Å; Y141-I319 HydrophobicContact CE1-CG2 3.26Å; Y141-I319 HydrophobicContact CE2-CG2 4.18Å; Y141-I319 HydrophobicContact CG-CD1 4.15Å; Y141-I319 HydrophobicContact CG-CG2 4.02Å; Y141-H320 WeakPolarHBondContact CE1-O 3.43Å; Y141-H320 PolarHBondContact OH-O 3.08Å; Y141-P322 VanDerWaalsContact OH-CD 3.24Å; Y141-P322 WeakPolarHBondContact OH-CD 3.38Å
142	D	96.3	Very high	97.3	Very high	131 Å²	131	46.5 Å²	46.5	70%	0.701	26%	0.26	S	S	*	.			trans	54.9	38.7	-174.4	-165.3	30.6	0	0	0	112.7	Q138	Q138-D142 PolarHBondContact NE2-OD1 3.15Å; Q138-D142 VanDerWaalsContact O-CA 3.22Å; Q138-D142 WeakPolarHBondContact O-CA 3.44Å; Q138-D142 PolarHBondContact O-N 2.88Å
143	V	96.3	Very high	97.2	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.097	26%	0.261	C	S	.	.			trans	-115.2	116.4	179	179.4	0	0	0	0	110.5	I137 Q138 Y141 I145 N171 L172	I137-V143 HydrophobicContact CG2-CB 3.96Å; I137-V143 HydrophobicContact CG2-CG1 4.38Å; I137-V143 WeakPolarHBondContact CG2-O 3.35Å; Q138-V143 PolarHBondContact OE1-O 3.26Å; Y141-V143 WeakPolarHBondContact O-CG2 3.44Å; Y141-V143 PolarHBondContact O-N 3.25Å; V143-I145 HydrophobicContact CG1-CD1 3.72Å; V143-N171 HydrophobicContact CG1-CB 3.88Å; V143-N171 HydrophobicContact CG2-CB 4.24Å; V143-L172 HydrophobicContact CG1-CB 4.41Å
144	A	96.4	Very high	97.1	Very high	74 Å²	74	47.4 Å²	47.4	61%	0.612	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-83.6	129	169.5	0	0	0	0	0	109.9
145	I	97.4	Very high	96.8	Very high	22 Å²	22	46.3 Å²	46.3	11%	0.113	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-101.5	123.6	177.9	-56.7	-58.6	0	0	0	109.6	I137 V143 E149 I150 I167 L172	I137-I145 HydrophobicContact CD1-CG1 4.19Å; I137-I145 HydrophobicContact CG2-CD1 4.37Å; I137-I145 HydrophobicContact CG2-CG1 4.13Å; V143-I145 HydrophobicContact CG1-CD1 3.72Å; I145-E149 HydrophobicContact CG2-CB 4.32Å; I145-I150 HydrophobicContact CG2-CD1 4.15Å; I145-I150 HydrophobicContact CG2-CG1 3.84Å; I145-I167 HydrophobicContact CD1-CG2 3.91Å; I145-I167 HydrophobicContact CG1-CG2 4.32Å; I145-I167 HydrophobicContact CG2-CG2 3.67Å; I145-L172 HydrophobicContact CD1-CB 4.07Å; I145-L172 HydrophobicContact CD1-CD2 3.89Å; I145-L172 HydrophobicContact CG1-CD2 4.47Å
146	E	96.4	Very high	96.6	Very high	121 Å²	121	47.2 Å²	47.2	57%	0.565	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-78.9	147.3	176.1	-66.8	-173.6	179.8	0	0	111.4	S148 E149	E146-S148 PolarHBondContact O-N 3.05Å; E146-S148 VanDerWaalsContact O-N 3.08Å; E146-S148 PolarHBondContact OE2-OG 3.13Å; E146-S148 VanDerWaalsContact OE2-OG 3.08Å; E146-E149 HydrophobicContact CB-CG 4.15Å; E146-E149 PolarHBondContact N-OE2 3.2Å; E146-E149 WeakPolarHBondContact O-CB 3.35Å; E146-E149 PolarHBondContact O-N 3.27Å
147	P	96.1	Very high	96.2	Very high	115 Å²	115	50.1 Å²	50.1	75%	0.747	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-55.4	-29.3	173.3	-26.9	35.1	0	0	0	113.8	E149 I150	P147-E149 PolarHBondContact O-N 3.31Å; P147-I150 PolarHBondContact O-N 3.14Å
148	S	95.4	Very high	95.8	Very high	92 Å²	92	55.3 Å²	55.3	64%	0.643	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67	-23.8	177.5	69.1	0	0	0	0	113.1	E146	E146-S148 PolarHBondContact O-N 3.05Å; E146-S148 VanDerWaalsContact O-N 3.08Å; E146-S148 PolarHBondContact OE2-OG 3.13Å; E146-S148 VanDerWaalsContact OE2-OG 3.08Å
149	E	96	Very high	95.5	Very high	34 Å²	34	58.5 Å²	58.5	16%	0.159	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-85.1	-16.9	-179.6	-63.1	177.9	121.8	0	0	112.2	I145 E146 P147 L151 N168 S169	I145-E149 HydrophobicContact CG2-CB 4.32Å; E146-E149 HydrophobicContact CB-CG 4.15Å; E146-E149 PolarHBondContact N-OE2 3.2Å; E146-E149 WeakPolarHBondContact O-CB 3.35Å; E146-E149 PolarHBondContact O-N 3.27Å; P147-E149 PolarHBondContact O-N 3.31Å; E149-L151 PolarHBondContact O-N 3.01Å; E149-N168 PolarHBondContact O-N 3.23Å; E149-S169 WeakPolarHBondContact OE1-CA 2.86Å; E149-S169 WeakPolarHBondContact OE1-CB 3.35Å; E149-S169 PolarHBondContact OE1-OG 2.86Å
150	I	97.8	Very high	95.2	Very high	37 Å²	37	56.8 Å²	56.8	19%	0.19	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.8	-177.3	-55.3	177.4	0	0	0	110	L130 I145 P147 I152 V165	L130-I150 HydrophobicContact CD1-CG2 4.02Å; L130-I150 HydrophobicContact CD2-CG2 4.46Å; I145-I150 HydrophobicContact CG2-CD1 4.15Å; I145-I150 HydrophobicContact CG2-CG1 3.84Å; P147-I150 PolarHBondContact O-N 3.14Å; I150-I152 HydrophobicContact CG2-CD1 4.49Å; I150-I152 HydrophobicContact CG2-CG1 4.06Å; I150-V165 HydrophobicContact CG2-CG1 3.56Å
151	L	97	Very high	95.1	Very high	31 Å²	31	55.5 Å²	55.5	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.6	172.7	176.2	65.9	0	0	0	110.4	E149 L153 V165 I166 T306	E149-L151 PolarHBondContact O-N 3.01Å; L151-L153 HydrophobicContact CD1-CD2 4.26Å; L151-L153 HydrophobicContact CD2-CD2 4.32Å; L151-L153 HydrophobicContact CD2-CG 4.44Å; L151-L153 HydrophobicContact CG-CD2 4.29Å; L151-L153 HydrophobicContact CG-CG 4.33Å; L151-V165 CarbonylContact O-C 3.48Å; L151-V165 WeakPolarHBondContact O-CA 3.3Å; L151-I166 PolarHBondContact N-O 3.42Å; L151-I166 PolarHBondContact O-N 3.01Å; L151-T306 HydrophobicContact CD2-CG2 3.64Å
152	I	97.9	Very high	95.1	Very high	28 Å²	28	53.6 Å²	53.6	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.2	174	-53.6	179.7	0	0	0	109.9	V126 L130 I150 Q163 V165 K284	V126-I152 HydrophobicContact CG1-CD1 4.14Å; L130-I152 HydrophobicContact CD1-CD1 4.08Å; I150-I152 HydrophobicContact CG2-CD1 4.49Å; I150-I152 HydrophobicContact CG2-CG1 4.06Å; I152-Q163 HydrophobicContact CG2-CB 4.2Å; I152-Q163 HydrophobicContact CG2-CG 4.35Å; I152-V165 HydrophobicContact CG1-CG1 4.33Å; I152-V165 HydrophobicContact CG1-CG2 4.23Å; I152-K284 HydrophobicContact CG2-CB 4.47Å; I152-K284 PolarHBondContact O-N 3.18Å; I152-K284 VanDerWaalsContact O-N 3.11Å
153	L	97.1	Very high	95.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.4	172	-55.4	170.8	0	0	0	109.2	L151 Q163 H164 A270 L281 L282 P283 W297	L151-L153 HydrophobicContact CD1-CD2 4.26Å; L151-L153 HydrophobicContact CD2-CD2 4.32Å; L151-L153 HydrophobicContact CD2-CG 4.44Å; L151-L153 HydrophobicContact CG-CD2 4.29Å; L151-L153 HydrophobicContact CG-CG 4.33Å; L153-Q163 CarbonylContact O-C 3.53Å; L153-Q163 VanDerWaalsContact O-CA 3.25Å; L153-Q163 WeakPolarHBondContact O-CA 3.43Å; L153-H164 HydrophobicContact CB-CB 4.34Å; L153-H164 PolarHBondContact N-O 3.45Å; L153-H164 PolarHBondContact O-N 2.99Å; L153-A270 HydrophobicContact CD1-CB 3.75Å; L153-A270 HydrophobicContact CD2-CB 4.17Å; L153-L281 HydrophobicContact CB-CD1 3.6Å; L153-L281 HydrophobicContact CB-CD2 4.32Å; L153-L281 HydrophobicContact CB-CG 3.72Å; L153-L281 HydrophobicContact CD1-CD2 3.99Å; L153-L281 HydrophobicContact CD1-CG 4.1Å; L153-L282 CarbonylContact C-O 3.58Å; L153-L282 VanDerWaalsContact CA-O 3.29Å; L153-L282 WeakPolarHBondContact CA-O 3.5Å; L153-P283 HydrophobicContact CD2-CB 4.35Å; L153-P283 HydrophobicContact CD2-CG 3.88Å; L153-W297 HydrophobicContact CD2-CZ2 4.47Å
154	D	95.3	Very high	95.2	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.5	-178.7	178.4	-62.4	0	0	0	110.5	S156 Q163 L282 I287	D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 2.99Å; D154-S156 PolarHBondContact OD1-OG 3.25Å; D154-S156 WeakPolarHBondContact OD2-CB 3.23Å; D154-S156 PolarHBondContact OD2-OG 3.08Å; D154-Q163 HydrophobicContact CB-CG 3.82Å; D154-Q163 WeakPolarHBondContact OD2-CG 3.45Å; D154-Q163 PolarHBondContact OD2-NE2 3.33Å; D154-L282 PolarHBondContact N-O 3.19Å; D154-L282 PolarHBondContact O-N 3.05Å; D154-I287 HydrophobicContact CB-CD1 3.42Å; D154-I287 VanDerWaalsContact CB-CD1 3.42Å; D154-I287 VanDerWaalsContact OD1-CD1 3.23Å; D154-I287 WeakPolarHBondContact OD1-CD1 2.97Å
155	A	93.5	Very high	95.3	Very high	8 Å²	8	43.3 Å²	43.3	7%	0.066	24%	0.244	C	C	.	.			trans	-135	30.9	172.2	0	0	0	0	0	110.4	S162 R268 L281	A155-S162 CarbonylContact C-O 3.49Å; A155-S162 PolarHBondContact N-O 3.43Å; A155-R268 VanDerWaalsContact CB-CZ 3.49Å; A155-L281 HydrophobicContact CB-CB 4.28Å; A155-L281 HydrophobicContact CB-CD1 3.72Å
156	S	93.6	Very high	95.3	Very high	32 Å²	32	42.2 Å²	42.2	22%	0.224	24%	0.239	C	C	.	.			trans	-62.2	147.1	178.6	-67.3	0	0	0	0	110.2	D154 K160 S162	D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 2.99Å; D154-S156 PolarHBondContact OD1-OG 3.25Å; D154-S156 WeakPolarHBondContact OD2-CB 3.23Å; D154-S156 PolarHBondContact OD2-OG 3.08Å; S156-K160 WeakPolarHBondContact CA-O 3.35Å; S156-S162 PolarHBondContact N-O 2.83Å; S156-S162 PolarHBondContact OG-N 3.16Å; S156-S162 VanDerWaalsContact OG-N 3.12Å
157	T	90.9	Very high	95.4	Very high	61 Å²	61	36.5 Å²	36.5	37%	0.374	21%	0.212	S	C	.	.			trans	-127.6	-180	177.9	62.9	0	0	0	0	109.1	K114 K159 K160	K114-T157 WeakPolarHBondContact CD-O 3.49Å; K114-T157 WeakPolarHBondContact CE-O 3.43Å; K114-T157 PolarHBondContact NZ-O 3.23Å; T157-K159 PolarHBondContact O-N 2.79Å; T157-K159 PolarHBondContact OG1-N 3.13Å; T157-K160 PolarHBondContact N-O 2.58Å; T157-K160 PolarHBondContact OG1-N 2.67Å; T157-K160 VanDerWaalsContact OG1-N 3.09Å; T157-K160 PolarHBondContact OG1-O 2.88Å
158	S	89.7	Confident	95.3	Very high	109 Å²	109	32 Å²	32	76%	0.762	18%	0.182	S	C	*	.	S	Bend	trans	-62.7	-27.4	171.2	54.4	0	0	0	0	113.2
159	K	90.5	Very high	95.2	Very high	141 Å²	141	27.9 Å²	27.9	61%	0.613	15%	0.153	S	C	*	.	S	Bend	trans	-99.2	-24.2	-175.6	-62.6	-177.4	-179.6	-179.1	0	114.1	K114 T157	K114-K159 PolarHBondContact N-O 3.03Å; T157-K159 PolarHBondContact O-N 2.79Å; T157-K159 PolarHBondContact OG1-N 3.13Å
160	K	91.9	Very high	94.9	Very high	41 Å²	41	32 Å²	32	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.4	-169.3	176.1	175.4	178.9	177.1	0	110.4	E111 S156 T157	E111-K160 WeakPolarHBondContact OE1-CE 3.32Å; E111-K160 IonicContact OE1-NZ 2.57Å; E111-K160 PolarHBondContact OE1-NZ 3.45Å; E111-K160 WeakPolarHBondContact OE2-CE 3.4Å; E111-K160 IonicContact OE2-NZ 2.8Å; E111-K160 PolarHBondContact OE2-NZ 2.88Å; S156-K160 WeakPolarHBondContact CA-O 3.35Å; T157-K160 PolarHBondContact N-O 2.58Å; T157-K160 PolarHBondContact OG1-N 2.67Å; T157-K160 VanDerWaalsContact OG1-N 3.09Å; T157-K160 PolarHBondContact OG1-O 2.88Å
161	F	95.5	Very high	94.6	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.3	162.2	-177.1	-92.9	0	0	0	108.9	I110 E111 F112 K114 G122 V126 Q163	I110-F161 HydrophobicContact CG2-CE1 4.04Å; E111-F161 VanDerWaalsContact CA-O 3.27Å; E111-F161 WeakPolarHBondContact CA-O 3.36Å; E111-F161 WeakPolarHBondContact CB-O 3.39Å; F112-F161 HydrophobicContact CD1-CB 3.85Å; F112-F161 AromaticContact CD1-CD1 3.71Å; F112-F161 HydrophobicContact CD1-CD1 3.71Å; F112-F161 HydrophobicContact CD1-CG 4.05Å; F112-F161 HydrophobicContact CD2-CB 4.09Å; F112-F161 HydrophobicContact CE1-CB 3.53Å; F112-F161 AromaticContact CE1-CD1 3.29Å; F112-F161 HydrophobicContact CE1-CD1 3.29Å; F112-F161 HydrophobicContact CE1-CD2 4.26Å; F112-F161 HydrophobicContact CE1-CE1 4.02Å; F112-F161 AromaticContact CE1-CG 3.42Å; F112-F161 HydrophobicContact CE1-CG 3.42Å; F112-F161 VanDerWaalsContact CE1-CG 3.42Å; F112-F161 HydrophobicContact CE2-CB 3.79Å; F112-F161 HydrophobicContact CE2-CG 4.44Å; F112-F161 HydrophobicContact CG-CB 4.12Å; F112-F161 HydrophobicContact CZ-CB 3.49Å; F112-F161 VanDerWaalsContact CZ-CB 3.49Å; F112-F161 HydrophobicContact CZ-CD1 4.03Å; F112-F161 HydrophobicContact CZ-CD2 4.22Å; F112-F161 AromaticContact CZ-CG 3.65Å; F112-F161 HydrophobicContact CZ-CG 3.65Å; F112-F161 PolarHBondContact N-O 3.44Å; F112-F161 VanDerWaalsContact N-O 3.16Å; F112-F161 PolarHBondContact O-N 2.92Å; K114-F161 HydrophobicContact CG-CB 4.39Å; G122-F161 WeakPolarHBondContact O-CZ 3.49Å; V126-F161 HydrophobicContact CG2-CE1 3.71Å; V126-F161 HydrophobicContact CG2-CZ 3.69Å; F161-Q163 HydrophobicContact CE1-CB 4.18Å; F161-Q163 HydrophobicContact CE1-CG 3.94Å; F161-Q163 HydrophobicContact CE2-CG 4.14Å; F161-Q163 HydrophobicContact CZ-CB 4.23Å; F161-Q163 HydrophobicContact CZ-CG 3.57Å
162	S	95.5	Very high	94.5	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	107.8	-178.6	-172.3	0	0	0	0	109.7	I110 A155 S156	I110-S162 CarbonylContact O-C 3.46Å; I110-S162 WeakPolarHBondContact O-CA 3.49Å; A155-S162 CarbonylContact C-O 3.49Å; A155-S162 PolarHBondContact N-O 3.43Å; S156-S162 PolarHBondContact N-O 2.83Å; S156-S162 PolarHBondContact OG-N 3.16Å; S156-S162 VanDerWaalsContact OG-N 3.12Å
163	Q	97.5	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.2	173.9	-69.2	-169.7	-6.2	0	0	109.9	I110 E123 V126 I152 L153 D154 F161	I110-Q163 PolarHBondContact N-O 3.39Å; I110-Q163 PolarHBondContact O-N 2.97Å; E123-Q163 PolarHBondContact OE1-NE2 2.71Å; V126-Q163 HydrophobicContact CG2-CB 4.45Å; I152-Q163 HydrophobicContact CG2-CB 4.2Å; I152-Q163 HydrophobicContact CG2-CG 4.35Å; L153-Q163 CarbonylContact O-C 3.53Å; L153-Q163 VanDerWaalsContact O-CA 3.25Å; L153-Q163 WeakPolarHBondContact O-CA 3.43Å; D154-Q163 HydrophobicContact CB-CG 3.82Å; D154-Q163 WeakPolarHBondContact OD2-CG 3.45Å; D154-Q163 PolarHBondContact OD2-NE2 3.33Å; F161-Q163 HydrophobicContact CE1-CB 4.18Å; F161-Q163 HydrophobicContact CE1-CG 3.94Å; F161-Q163 HydrophobicContact CE2-CG 4.14Å; F161-Q163 HydrophobicContact CZ-CB 4.23Å; F161-Q163 HydrophobicContact CZ-CG 3.57Å
164	H	97.8	Very high	94.2	Very high	4 Å²	4	33 Å²	33	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.4	169	-68.5	-156.4	0	0	0	107.8	L108 D109 L153 F267 L281	L108-H164 WeakPolarHBondContact O-CA 3.44Å; D109-H164 IonicContact OD1-CD2 3.68Å; D109-H164 PolarHBondContact OD1-CD2 2.89Å; D109-H164 IonicContact OD1-NE2 3.92Å; L153-H164 HydrophobicContact CB-CB 4.34Å; L153-H164 PolarHBondContact N-O 3.45Å; L153-H164 PolarHBondContact O-N 2.99Å; H164-F267 HydrophobicContact CB-CE1 4.34Å; H164-F267 HydrophobicContact CB-CZ 3.73Å; H164-F267 AromaticContact CE1-CE2 3.7Å; H164-F267 AromaticContact CE1-CZ 3.86Å; H164-F267 AromaticContact CG-CE2 3.94Å; H164-F267 AromaticContact CG-CZ 3.55Å; H164-F267 AromaticContact ND1-CE1 3.41Å; H164-F267 WeakPolarHBondContact ND1-CE1 3.26Å; H164-F267 AromaticContact ND1-CE2 3.36Å; H164-F267 WeakPolarHBondContact ND1-CE2 3.49Å; H164-F267 AromaticContact ND1-CZ 3.04Å; H164-F267 WeakPolarHBondContact ND1-CZ 3.28Å; H164-L281 HydrophobicContact CB-CD1 4.37Å; H164-L281 HydrophobicContact CB-CD2 4.47Å
165	V	98.6	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.6	173.5	-171.2	0	0	0	0	109.4	Y107 L108 I110 V126 L130 I150 L151 I152	Y107-V165 CarbonylContact C-O 3.45Å; Y107-V165 WeakPolarHBondContact CA-O 3.38Å; Y107-V165 WeakPolarHBondContact CB-O 3.49Å; L108-V165 HydrophobicContact CB-CB 4.09Å; L108-V165 HydrophobicContact CB-CG2 4.45Å; L108-V165 HydrophobicContact CD1-CB 4.17Å; L108-V165 HydrophobicContact CD1-CG2 4.37Å; L108-V165 HydrophobicContact CG-CB 4.26Å; L108-V165 PolarHBondContact N-O 3.34Å; L108-V165 PolarHBondContact O-N 3.16Å; I110-V165 HydrophobicContact CD1-CG2 4.25Å; V126-V165 HydrophobicContact CG1-CG2 4.41Å; L130-V165 HydrophobicContact CD2-CG1 3.94Å; I150-V165 HydrophobicContact CG2-CG1 3.56Å; L151-V165 CarbonylContact O-C 3.48Å; L151-V165 WeakPolarHBondContact O-CA 3.3Å; I152-V165 HydrophobicContact CG1-CG1 4.33Å; I152-V165 HydrophobicContact CG1-CG2 4.23Å
166	I	98.2	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.8	175	-57.2	173.3	0	0	0	108	K105 L151 F267 T306	K105-I166 HydrophobicContact CB-CG2 4.36Å; K105-I166 HydrophobicContact CD-CG2 4.32Å; L151-I166 PolarHBondContact N-O 3.42Å; L151-I166 PolarHBondContact O-N 3.01Å; I166-F267 HydrophobicContact CD1-CE1 4.27Å; I166-F267 HydrophobicContact CG1-CE1 4.45Å; I166-T306 WeakPolarHBondContact CD1-O 3.42Å
167	I	97.4	Very high	93.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.1	176.4	-55.7	-173.8	0	0	0	108.6	L106 L133 I137 I145 S169 L172	L106-I167 HydrophobicContact CB-CB 4.38Å; L106-I167 HydrophobicContact CB-CD1 4.36Å; L106-I167 HydrophobicContact CD2-CD1 3.79Å; L106-I167 HydrophobicContact CD2-CG1 4.2Å; L106-I167 HydrophobicContact CG-CD1 4.49Å; L106-I167 PolarHBondContact O-N 3.29Å; L133-I167 HydrophobicContact CD2-CD1 4.26Å; I137-I167 HydrophobicContact CD1-CD1 3.97Å; I145-I167 HydrophobicContact CD1-CG2 3.91Å; I145-I167 HydrophobicContact CG1-CG2 4.32Å; I145-I167 HydrophobicContact CG2-CG2 3.67Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.97Å; I167-L172 HydrophobicContact CB-CD2 4.4Å; I167-L172 HydrophobicContact CD1-CD2 4.22Å; I167-L172 HydrophobicContact CG2-CD2 4Å
168	N	95.1	Very high	93.5	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	18%	0.175	C	C	.	.			trans	-92.5	43.8	-179.6	-71.6	-70.8	0	0	0	112.4	K105 E149 R305	K105-N168 WeakPolarHBondContact CD-OD1 3.09Å; K105-N168 WeakPolarHBondContact CE-OD1 3.37Å; K105-N168 PolarHBondContact NZ-OD1 2.84Å; E149-N168 PolarHBondContact O-N 3.23Å; N168-R305 PolarHBondContact ND2-O 3.41Å; N168-R305 PolarHBondContact OD1-O 3.02Å
169	S	93.3	Very high	93.5	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.049	14%	0.143	C	C	.	.			trans	-88.1	132.6	175.8	-173.2	0	0	0	0	111.3	E149 I167 N171 L172	E149-S169 WeakPolarHBondContact OE1-CA 2.86Å; E149-S169 WeakPolarHBondContact OE1-CB 3.35Å; E149-S169 PolarHBondContact OE1-OG 2.86Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.97Å; S169-N171 PolarHBondContact O-N 3.35Å; S169-N171 PolarHBondContact OG-N 3.3Å; S169-L172 PolarHBondContact O-N 2.93Å
170	K	89.1	Confident	93.6	Very high	119 Å²	119	23.1 Å²	23.1	52%	0.517	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.8	177.3	-62.9	-178.3	178.4	-170.6	0	112.2	E313	K170-E313 WeakPolarHBondContact CE-OE2 3.23Å; K170-E313 IonicContact NZ-OE1 3.68Å; K170-E313 PolarHBondContact NZ-OE1 3.44Å; K170-E313 IonicContact NZ-OE2 3.28Å; K170-E313 PolarHBondContact NZ-OE2 2.94Å
171	N	91.7	Very high	93.5	Very high	115 Å²	115	21.7 Å²	21.7	62%	0.615	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.4	180	-58.8	-30.9	0	0	0	112.3	V143 S169 I319	V143-N171 HydrophobicContact CG1-CB 3.88Å; V143-N171 HydrophobicContact CG2-CB 4.24Å; S169-N171 PolarHBondContact O-N 3.35Å; S169-N171 PolarHBondContact OG-N 3.3Å; N171-I319 WeakPolarHBondContact O-CD1 3.29Å
172	L	93.9	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.			trans	-124.8	78.8	-178.6	-168.9	76.2	0	0	0	111.8	L106 I137 Y141 V143 I145 I167 S169 F174 I319	L106-L172 HydrophobicContact CB-CD2 3.85Å; L106-L172 HydrophobicContact CD1-CD2 4.17Å; I137-L172 HydrophobicContact CD1-CD2 3.73Å; I137-L172 HydrophobicContact CG1-CD1 4.44Å; I137-L172 HydrophobicContact CG1-CD2 4.33Å; I137-L172 HydrophobicContact CG2-CD1 3.6Å; I137-L172 HydrophobicContact CG2-CD2 4.2Å; I137-L172 HydrophobicContact CG2-CG 4.5Å; Y141-L172 HydrophobicContact CD2-CD1 4.22Å; V143-L172 HydrophobicContact CG1-CB 4.41Å; I145-L172 HydrophobicContact CD1-CB 4.07Å; I145-L172 HydrophobicContact CD1-CD2 3.89Å; I145-L172 HydrophobicContact CG1-CD2 4.47Å; I167-L172 HydrophobicContact CB-CD2 4.4Å; I167-L172 HydrophobicContact CD1-CD2 4.22Å; I167-L172 HydrophobicContact CG2-CD2 4Å; S169-L172 PolarHBondContact O-N 2.93Å; L172-F174 HydrophobicContact CD1-CE2 3.92Å; L172-F174 HydrophobicContact CD1-CZ 4.37Å; L172-F174 HydrophobicContact CG-CE2 4.05Å; L172-I319 HydrophobicContact CD1-CD1 3.67Å
173	L	94.7	Very high	93.3	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.6	178.2	-173.7	66.6	0	0	0	110.9	P103 K105 V311 C315 F318 I319	P103-L173 HydrophobicContact CB-CD1 4.14Å; P103-L173 HydrophobicContact CB-CD2 4Å; P103-L173 HydrophobicContact CB-CG 3.98Å; K105-L173 HydrophobicContact CG-CD1 4.06Å; L173-V311 HydrophobicContact CD1-CG2 3.8Å; L173-V311 HydrophobicContact CD2-CB 4.41Å; L173-V311 HydrophobicContact CD2-CG1 3.71Å; L173-V311 HydrophobicContact CD2-CG2 3.77Å; L173-V311 HydrophobicContact CG-CG2 4.45Å; L173-C315 HydrophobicContact CD2-CB 3.74Å; L173-F318 HydrophobicContact CD2-CD1 3.81Å; L173-F318 HydrophobicContact CD2-CE1 3.51Å; L173-F318 HydrophobicContact CG-CD1 4.01Å; L173-F318 HydrophobicContact CG-CE1 4.17Å; L173-F318 CarbonylContact O-C 3.57Å; L173-F318 WeakPolarHBondContact O-CA 3.49Å; L173-I319 PolarHBondContact O-N 2.73Å
174	F	94.6	Very high	93.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144.9	-178.5	-72.8	-100.2	0	0	0	111.4	P103 A104 L106 Y141 L172 S176 E179 Q180 L183 I319	P103-F174 CarbonylContact C-O 3.59Å; P103-F174 WeakPolarHBondContact CA-O 2.99Å; A104-F174 PolarHBondContact N-O 2.84Å; A104-F174 PolarHBondContact O-N 3.2Å; L106-F174 HydrophobicContact CB-CD2 4.49Å; L106-F174 HydrophobicContact CB-CE2 4.17Å; L106-F174 HydrophobicContact CD1-CE2 3.91Å; L106-F174 HydrophobicContact CD1-CZ 4.34Å; L106-F174 HydrophobicContact CG-CE2 4.46Å; Y141-F174 HydrophobicContact CE2-CE1 4.42Å; Y141-F174 AromaticContact CE2-CZ 3.94Å; Y141-F174 HydrophobicContact CE2-CZ 3.94Å; L172-F174 HydrophobicContact CD1-CE2 3.92Å; L172-F174 HydrophobicContact CD1-CZ 4.37Å; L172-F174 HydrophobicContact CG-CE2 4.05Å; F174-S176 PolarHBondContact O-N 3.42Å; F174-E179 HydrophobicContact CB-CB 4.45Å; F174-E179 HydrophobicContact CD1-CB 3.87Å; F174-Q180 HydrophobicContact CB-CG 3.58Å; F174-Q180 HydrophobicContact CD1-CG 3.79Å; F174-Q180 HydrophobicContact CD2-CG 3.5Å; F174-Q180 VanDerWaalsContact CD2-CG 3.5Å; F174-Q180 HydrophobicContact CE1-CG 4.35Å; F174-Q180 HydrophobicContact CE2-CG 4.11Å; F174-Q180 HydrophobicContact CG-CB 4.44Å; F174-Q180 HydrophobicContact CG-CG 3.32Å; F174-Q180 HydrophobicContact CZ-CG 4.5Å; F174-L183 HydrophobicContact CZ-CD2 3.86Å; F174-I319 VanDerWaalsContact CA-O 3.32Å; F174-I319 WeakPolarHBondContact CA-O 3.28Å; F174-I319 HydrophobicContact CD1-CB 4.45Å; F174-I319 HydrophobicContact CD1-CG2 3.95Å; F174-I319 HydrophobicContact CE1-CG2 3.63Å; F174-I319 HydrophobicContact CE2-CG2 4.5Å; F174-I319 HydrophobicContact CZ-CG2 3.92Å
175	Q	91.5	Very high	93	Very high	74 Å²	74	22.2 Å²	22.2	35%	0.346	11%	0.112	S	C	.	.	S	Bend	trans	-58	-32.4	177.2	-175.5	64	33.2	0	0	113.1	R102 E179 F318 I319	R102-Q175 CarbonylContact C-O 3.53Å; Q175-E179 HydrophobicContact CB-CG 4.38Å; Q175-F318 HydrophobicContact CB-CB 4.22Å; Q175-F318 VanDerWaalsContact OE1-CB 3.28Å; Q175-I319 PolarHBondContact N-O 3.05Å; Q175-I319 VanDerWaalsContact N-O 3.09Å
176	S	90.2	Very high	92.8	Very high	13 Å²	13	22.4 Å²	22.4	9%	0.091	11%	0.113	C	C	.	.	S	Bend	trans	-153.1	165.4	172.3	72.4	0	0	0	0	111.5	V100 F174 L178 E179	V100-S176 WeakPolarHBondContact O-CB 3.42Å; F174-S176 PolarHBondContact O-N 3.42Å; S176-L178 PolarHBondContact O-N 3.35Å; S176-L178 PolarHBondContact OG-N 3.11Å; S176-E179 PolarHBondContact O-N 3.38Å; S176-E179 PolarHBondContact OG-N 2.96Å
177	N	89.4	Confident	92.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-22.3	173.1	74.7	-47.4	0	0	0	113.4	I98 A104 Y107 G181 T262	I98-N177 HydrophobicContact CG2-CB 3.72Å; A104-N177 HydrophobicContact CB-CB 4.34Å; Y107-N177 HydrophobicContact CE1-CB 4.14Å; N177-G181 PolarHBondContact O-N 3.44Å; N177-T262 PolarHBondContact ND2-O 2.94Å
178	L	86.9	Confident	92.7	Very high	54 Å²	54	22.4 Å²	22.4	28%	0.283	11%	0.113	S	C	.	.	H	α-helix	trans	-71	-34.4	176.8	-58	-175.4	0	0	0	112.3	V100 S176 Q180 G181 Y261 R263	V100-L178 HydrophobicContact CG2-CD1 3.53Å; V100-L178 HydrophobicContact CG2-CG 3.89Å; S176-L178 PolarHBondContact O-N 3.35Å; S176-L178 PolarHBondContact OG-N 3.11Å; L178-Q180 VanDerWaalsContact C-N 3.32Å; L178-G181 PolarHBondContact O-N 3.12Å; L178-Y261 WeakPolarHBondContact CD2-O 3.31Å; L178-R263 HydrophobicContact CD1-CG 4.24Å; L178-R263 HydrophobicContact CD2-CG 4.34Å
179	E	90.4	Very high	92.7	Very high	19 Å²	19	21.7 Å²	21.7	9%	0.089	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-42.5	177.2	-60.7	-63.8	140.8	0	0	110.3	F174 Q175 S176 G181 Q182 R321	F174-E179 HydrophobicContact CB-CB 4.45Å; F174-E179 HydrophobicContact CD1-CB 3.87Å; Q175-E179 HydrophobicContact CB-CG 4.38Å; S176-E179 PolarHBondContact O-N 3.38Å; S176-E179 PolarHBondContact OG-N 2.96Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 2.85Å; E179-Q182 PolarHBondContact O-N 2.62Å; E179-R321 HydrophobicContact CB-CB 4.38Å; E179-R321 IonicContact OE1-CZ 3.85Å; E179-R321 IonicContact OE1-NE 3.8Å; E179-R321 PolarHBondContact OE1-NE 3.19Å; E179-R321 IonicContact OE1-NH2 3.52Å; E179-R321 PolarHBondContact OE1-NH2 3.46Å; E179-R321 WeakPolarHBondContact OE2-CB 3.17Å; E179-R321 VanDerWaalsContact OE2-CG 3.28Å; E179-R321 WeakPolarHBondContact OE2-CG 3.42Å; E179-R321 IonicContact OE2-CZ 2.87Å; E179-R321 PolarHBondContact OE2-N 3.44Å; E179-R321 IonicContact OE2-NE 2.74Å; E179-R321 PolarHBondContact OE2-NE 3.07Å; E179-R321 IonicContact OE2-NH2 3.49Å
180	Q	92.1	Very high	92.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-39.9	175	-56.9	178.8	30.9	0	0	112.2	A104 K105 Y107 F174 L178 Q182 L183 I184 Y261	A104-Q180 PolarHBondContact O-NE2 3.19Å; K105-Q180 PolarHBondContact O-NE2 2.56Å; K105-Q180 PolarHBondContact O-OE1 2.75Å; Y107-Q180 VanDerWaalsContact CD1-OE1 3.29Å; F174-Q180 HydrophobicContact CB-CG 3.58Å; F174-Q180 HydrophobicContact CD1-CG 3.79Å; F174-Q180 HydrophobicContact CD2-CG 3.5Å; F174-Q180 VanDerWaalsContact CD2-CG 3.5Å; F174-Q180 HydrophobicContact CE1-CG 4.35Å; F174-Q180 HydrophobicContact CE2-CG 4.11Å; F174-Q180 HydrophobicContact CG-CB 4.44Å; F174-Q180 HydrophobicContact CG-CG 3.32Å; F174-Q180 HydrophobicContact CZ-CG 4.5Å; L178-Q180 VanDerWaalsContact C-N 3.32Å; Q180-Q182 PolarHBondContact O-N 3.24Å; Q180-Q182 VanDerWaalsContact O-N 3.16Å; Q180-L183 WeakPolarHBondContact O-CB 3.12Å; Q180-L183 PolarHBondContact O-N 2.88Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 2.89Å; Q180-Y261 HydrophobicContact CB-CD1 4Å; Q180-Y261 HydrophobicContact CB-CE1 4.05Å
181	G	91.2	Very high	93.3	Very high	11 Å²	11	15.7 Å²	15.7	11%	0.113	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-30.4	-177.7	0	0	0	0	0	113.5	N177 L178 E179 R185	N177-G181 PolarHBondContact O-N 3.44Å; L178-G181 PolarHBondContact O-N 3.12Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 2.85Å; G181-R185 VanDerWaalsContact O-CB 3.25Å; G181-R185 WeakPolarHBondContact O-CB 3.41Å; G181-R185 PolarHBondContact O-N 2.74Å
182	Q	90.6	Very high	93.5	Very high	3 Å²	3	10.3 Å²	10.3	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-69.9	-44.8	175.3	-170.1	-169.6	75.7	0	0	111.8	E179 Q180 I184 R185 I186 R321 V323 C326	E179-Q182 PolarHBondContact O-N 2.62Å; Q180-Q182 PolarHBondContact O-N 3.24Å; Q180-Q182 VanDerWaalsContact O-N 3.16Å; Q182-I184 PolarHBondContact O-N 2.96Å; Q182-R185 PolarHBondContact O-N 3.09Å; Q182-I186 HydrophobicContact CG-CD1 4.1Å; Q182-I186 WeakPolarHBondContact O-CG1 3.31Å; Q182-I186 PolarHBondContact O-N 3.35Å; Q182-R321 HydrophobicContact CB-CB 4.05Å; Q182-V323 PolarHBondContact NE2-O 2.76Å; Q182-V323 PolarHBondContact OE1-O 3.49Å; Q182-C326 PolarHBondContact NE2-SG 3.3Å
183	L	95.4	Very high	93.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-56.8	-51.2	175.8	172.6	66.9	0	0	0	110.7	L106 L133 I137 F140 Y141 F174 Q180 R185 I186 L187 P322	L106-L183 HydrophobicContact CD1-CD2 3.75Å; L133-L183 HydrophobicContact CD1-CD2 4.23Å; I137-L183 HydrophobicContact CG1-CD2 4.34Å; F140-L183 HydrophobicContact CD2-CD1 3.51Å; F140-L183 HydrophobicContact CE2-CD1 3.8Å; Y141-L183 HydrophobicContact CE2-CD1 4.39Å; Y141-L183 HydrophobicContact CE2-CD2 4.02Å; F174-L183 HydrophobicContact CZ-CD2 3.86Å; Q180-L183 WeakPolarHBondContact O-CB 3.12Å; Q180-L183 PolarHBondContact O-N 2.88Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 2.83Å; L183-I186 PolarHBondContact O-N 2.91Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.08Å; L183-P322 HydrophobicContact CB-CG 4.16Å; L183-P322 HydrophobicContact CD1-CG 4.31Å
184	I	95.6	Very high	93.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66	-35.2	-177.3	-56.8	-57.5	0	0	0	111.3	L108 F129 L133 Q180 Q182 L187 C188 L258 Y261	L108-I184 HydrophobicContact CD2-CD1 3.71Å; L108-I184 HydrophobicContact CD2-CG1 4.38Å; F129-I184 HydrophobicContact CZ-CG2 4.32Å; L133-I184 HydrophobicContact CD1-CD1 3.77Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 2.89Å; Q182-I184 PolarHBondContact O-N 2.96Å; I184-L187 PolarHBondContact O-N 2.89Å; I184-C188 WeakPolarHBondContact O-CB 3.4Å; I184-C188 PolarHBondContact O-N 2.75Å; I184-C188 PolarHBondContact O-SG 2.6Å; I184-L258 HydrophobicContact CG2-CD1 4.35Å; I184-L258 HydrophobicContact CG2-CG 4.23Å; I184-Y261 HydrophobicContact CB-CE2 3.82Å; I184-Y261 HydrophobicContact CG1-CE1 4.42Å; I184-Y261 HydrophobicContact CG1-CE2 3.88Å; I184-Y261 HydrophobicContact CG2-CE2 3.79Å
185	R	92.8	Very high	93.9	Very high	24 Å²	24	15.5 Å²	15.5	9%	0.091	8%	0.076	C	C	.	.	H	α-helix	trans	-63.9	-45.2	173.1	-177.1	179.7	173.1	-160.9	-2.7	112.7	G181 Q182 L183 L187 C188 K189 N205 L258 C328 N329	G181-R185 VanDerWaalsContact O-CB 3.25Å; G181-R185 WeakPolarHBondContact O-CB 3.41Å; G181-R185 PolarHBondContact O-N 2.74Å; Q182-R185 PolarHBondContact O-N 3.09Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 2.83Å; R185-L187 VanDerWaalsContact C-N 3.33Å; R185-C188 PolarHBondContact O-N 3.41Å; R185-K189 WeakPolarHBondContact O-CB 3.11Å; R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.11Å; R185-N205 PolarHBondContact NH2-O 2.98Å; R185-N205 VanDerWaalsContact NH2-O 3.09Å; R185-L258 HydrophobicContact CB-CD2 3.9Å; R185-L258 HydrophobicContact CG-CD2 4.25Å; R185-C328 VanDerWaalsContact NH1-CB 3.27Å; R185-C328 PolarHBondContact NH1-O 2.81Å; R185-N329 PolarHBondContact NH1-OD1 2.85Å
186	I	95.1	Very high	94	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-61.3	-45.3	176.5	-74.7	167.8	0	0	0	110	F140 Q182 L183 K189 S190 Q213 I214 L217 P322 V323	F140-I186 HydrophobicContact CE2-CG2 4.48Å; F140-I186 HydrophobicContact CZ-CG2 4.19Å; Q182-I186 HydrophobicContact CG-CD1 4.1Å; Q182-I186 WeakPolarHBondContact O-CG1 3.31Å; Q182-I186 PolarHBondContact O-N 3.35Å; L183-I186 PolarHBondContact O-N 2.91Å; I186-K189 PolarHBondContact O-N 2.87Å; I186-S190 WeakPolarHBondContact O-CB 3.26Å; I186-S190 PolarHBondContact O-N 3.47Å; I186-S190 PolarHBondContact O-OG 3.27Å; I186-Q213 HydrophobicContact CG2-CB 4.45Å; I186-I214 HydrophobicContact CG2-CG1 4.01Å; I186-L217 HydrophobicContact CG2-CD1 3.8Å; I186-P322 HydrophobicContact CD1-CG 3.89Å; I186-V323 HydrophobicContact CD1-CG2 3.59Å
187	L	97.7	Very high	93.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-50	176.8	176.4	58.7	0	0	0	112	F129 A132 L133 L183 I184 R185 K189 S190 L191 F222	F129-L187 HydrophobicContact CD1-CD2 4.42Å; F129-L187 HydrophobicContact CE1-CD2 3.8Å; F129-L187 HydrophobicContact CZ-CD2 3.94Å; F129-L187 HydrophobicContact CZ-CG 4.48Å; A132-L187 HydrophobicContact CB-CD1 3.88Å; L133-L187 HydrophobicContact CB-CD2 3.74Å; L133-L187 HydrophobicContact CD1-CD2 3.8Å; L133-L187 HydrophobicContact CG-CD2 4.35Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.08Å; I184-L187 PolarHBondContact O-N 2.89Å; R185-L187 VanDerWaalsContact C-N 3.33Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.28Å; L187-S190 PolarHBondContact O-N 2.81Å; L187-S190 VanDerWaalsContact O-N 3.16Å; L187-L191 HydrophobicContact CD1-CD1 3.82Å; L187-L191 HydrophobicContact CD1-CG 4.03Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.15Å; L187-F222 HydrophobicContact CD1-CE1 4.24Å; L187-F222 HydrophobicContact CD1-CZ 4.08Å
188	C	96.3	Very high	93.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-36.7	179.1	-70	0	0	0	0	112.4	I184 R185 S192 F201 S254 L258	I184-C188 WeakPolarHBondContact O-CB 3.4Å; I184-C188 PolarHBondContact O-N 2.75Å; I184-C188 PolarHBondContact O-SG 2.6Å; R185-C188 PolarHBondContact O-N 3.41Å; C188-S192 WeakPolarHBondContact O-CB 3.22Å; C188-S192 PolarHBondContact O-N 3.08Å; C188-F201 HydrophobicContact CB-CD1 4.49Å; C188-F201 HydrophobicContact CB-CD2 4.44Å; C188-F201 HydrophobicContact CB-CE1 3.83Å; C188-F201 HydrophobicContact CB-CE2 3.79Å; C188-F201 HydrophobicContact CB-CZ 3.43Å; C188-F201 VanDerWaalsContact CB-CZ 3.43Å; C188-S254 PolarHBondContact SG-OG 3.39Å; C188-S254 VanDerWaalsContact SG-OG 3.41Å; C188-L258 HydrophobicContact CB-CD1 4.48Å
189	K	94	Very high	93.8	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-43.8	172.4	-79.6	-164.7	167.2	-153.6	0	112.4	R185 I186 L187 S192 Q193 F201 T204 N205 E206 I214	R185-K189 WeakPolarHBondContact O-CB 3.11Å; R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.11Å; I186-K189 PolarHBondContact O-N 2.87Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.28Å; K189-S192 WeakPolarHBondContact O-CB 2.99Å; K189-S192 PolarHBondContact O-N 3.17Å; K189-Q193 WeakPolarHBondContact O-CG 3.4Å; K189-Q193 PolarHBondContact O-N 2.87Å; K189-F201 HydrophobicContact CG-CB 4.18Å; K189-F201 HydrophobicContact CG-CD1 3.63Å; K189-F201 HydrophobicContact CG-CE1 4.46Å; K189-F201 HydrophobicContact CG-CG 4.22Å; K189-T204 WeakPolarHBondContact CE-OG1 3.33Å; K189-T204 PolarHBondContact NZ-O 2.77Å; K189-T204 PolarHBondContact NZ-OG1 3Å; K189-N205 PolarHBondContact NZ-O 3.34Å; K189-E206 IonicContact NZ-OE2 3.61Å; K189-E206 PolarHBondContact NZ-OE2 3.42Å; K189-I214 HydrophobicContact CB-CD1 3.7Å; K189-I214 HydrophobicContact CB-CG1 4.12Å; K189-I214 HydrophobicContact CD-CD1 3.61Å; K189-I214 HydrophobicContact CG-CD1 4.29Å
190	S	98	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.9	-49	179.4	-51.4	0	0	0	0	110.7	I186 L187 S192 Q193 Y194 I214 L217	I186-S190 WeakPolarHBondContact O-CB 3.26Å; I186-S190 PolarHBondContact O-N 3.47Å; I186-S190 PolarHBondContact O-OG 3.27Å; L187-S190 PolarHBondContact O-N 2.81Å; L187-S190 VanDerWaalsContact O-N 3.16Å; S190-S192 VanDerWaalsContact C-N 3.28Å; S190-S192 PolarHBondContact O-N 2.81Å; S190-Q193 PolarHBondContact O-N 3.35Å; S190-Y194 VanDerWaalsContact O-CB 3.26Å; S190-Y194 WeakPolarHBondContact O-CB 3.4Å; S190-Y194 PolarHBondContact O-N 2.83Å; S190-I214 WeakPolarHBondContact OG-CA 3.42Å; S190-L217 WeakPolarHBondContact OG-CD1 3.26Å
191	L	98.4	Very high	92.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-37.9	175.4	-71.3	167.2	0	0	0	112	F129 A132 L187 Y194 S195 F222 L227 A232 C235 F236	F129-L191 HydrophobicContact CD2-CD1 4.14Å; F129-L191 HydrophobicContact CE2-CD1 4.14Å; A132-L191 HydrophobicContact CB-CD1 4.47Å; A132-L191 HydrophobicContact CB-CD2 4.02Å; L187-L191 HydrophobicContact CD1-CD1 3.82Å; L187-L191 HydrophobicContact CD1-CG 4.03Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.15Å; L191-Y194 PolarHBondContact O-N 3.04Å; L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.96Å; L191-F222 HydrophobicContact CD2-CE2 4.11Å; L191-F222 HydrophobicContact CD2-CZ 3.92Å; L191-F222 HydrophobicContact CG-CE2 4.37Å; L191-F222 HydrophobicContact CG-CZ 4.02Å; L191-L227 HydrophobicContact CD2-CD2 3.92Å; L191-A232 HydrophobicContact CD2-CB 4.01Å; L191-C235 HydrophobicContact CD1-CB 3.93Å; L191-F236 HydrophobicContact CB-CE2 3.87Å; L191-F236 HydrophobicContact CB-CZ 4.03Å
192	S	96	Very high	91.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-54.6	177.9	155.2	0	0	0	0	110.8	C188 K189 S190 Y194 S195 L196 T199 F236	C188-S192 WeakPolarHBondContact O-CB 3.22Å; C188-S192 PolarHBondContact O-N 3.08Å; K189-S192 WeakPolarHBondContact O-CB 2.99Å; K189-S192 PolarHBondContact O-N 3.17Å; S190-S192 VanDerWaalsContact C-N 3.28Å; S190-S192 PolarHBondContact O-N 2.81Å; S192-Y194 VanDerWaalsContact C-N 3.34Å; S192-Y194 PolarHBondContact O-N 2.71Å; S192-S195 PolarHBondContact O-N 3.44Å; S192-S195 PolarHBondContact O-OG 3.3Å; S192-L196 PolarHBondContact O-N 3.38Å; S192-T199 WeakPolarHBondContact CB-OG1 3.37Å; S192-T199 PolarHBondContact OG-OG1 2.69Å; S192-F236 VanDerWaalsContact N-CZ 3.29Å
193	Q	95.4	Very high	90.7	Very high	67 Å²	67	29.5 Å²	29.5	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-62.4	-42	178.2	-67.5	-179.9	10.5	0	0	111.4	K189 S190 S195 L196 L202 I218	K189-Q193 WeakPolarHBondContact O-CG 3.4Å; K189-Q193 PolarHBondContact O-N 2.87Å; S190-Q193 PolarHBondContact O-N 3.35Å; Q193-S195 VanDerWaalsContact C-N 3.35Å; Q193-S195 PolarHBondContact O-N 2.88Å; Q193-L196 PolarHBondContact O-N 3.05Å; Q193-L202 HydrophobicContact CG-CD2 4.38Å; Q193-I218 HydrophobicContact CB-CD1 3.67Å; Q193-I218 HydrophobicContact CG-CD1 4.46Å; Q193-I218 VanDerWaalsContact OE1-CD1 3.23Å
194	Y	97.7	Very high	89.6	Confident	49 Å²	49	29.9 Å²	29.9	19%	0.192	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-32.6	-179.9	-159.4	-109	0	0	0	113.6	S190 L191 S192 L196 I218 F222 L227 T228 S229 A232	S190-Y194 VanDerWaalsContact O-CB 3.26Å; S190-Y194 WeakPolarHBondContact O-CB 3.4Å; S190-Y194 PolarHBondContact O-N 2.83Å; L191-Y194 PolarHBondContact O-N 3.04Å; S192-Y194 VanDerWaalsContact C-N 3.34Å; S192-Y194 PolarHBondContact O-N 2.71Å; Y194-L196 PolarHBondContact O-N 3.17Å; Y194-I218 HydrophobicContact CD2-CB 4.49Å; Y194-I218 HydrophobicContact CD2-CG2 3.97Å; Y194-I218 HydrophobicContact CE2-CG2 4.5Å; Y194-F222 AromaticContact CD1-CD2 3.96Å; Y194-F222 HydrophobicContact CD1-CD2 3.96Å; Y194-F222 AromaticContact CD2-CD2 3.97Å; Y194-F222 HydrophobicContact CD2-CD2 3.97Å; Y194-F222 HydrophobicContact CE1-CB 4.13Å; Y194-F222 HydrophobicContact CE1-CD2 4.36Å; Y194-F222 HydrophobicContact CE2-CB 4.18Å; Y194-F222 HydrophobicContact CE2-CD2 4.38Å; Y194-F222 AromaticContact CG-CD2 3.73Å; Y194-F222 HydrophobicContact CG-CD2 3.73Å; Y194-F222 HydrophobicContact CG-CE2 4.36Å; Y194-L227 HydrophobicContact CD1-CD2 3.82Å; Y194-L227 HydrophobicContact CE1-CD2 3.86Å; Y194-L227 WeakPolarHBondContact CE1-O 3.37Å; Y194-L227 PolarHBondContact OH-O 2.83Å; Y194-T228 VanDerWaalsContact CE1-C 3.42Å; Y194-S229 VanDerWaalsContact O-CB 3.24Å; Y194-S229 WeakPolarHBondContact O-CB 3.3Å; Y194-S229 PolarHBondContact O-OG 3.38Å; Y194-A232 HydrophobicContact CD1-CB 3.91Å
195	S	96.5	Very high	88.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.1	-15.8	178	73.3	0	0	0	0	113.9	L191 S192 Q193 L197 S229 K233	L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.96Å; S192-S195 PolarHBondContact O-N 3.44Å; S192-S195 PolarHBondContact O-OG 3.3Å; Q193-S195 VanDerWaalsContact C-N 3.35Å; Q193-S195 PolarHBondContact O-N 2.88Å; S195-L197 PolarHBondContact O-N 3.18Å; S195-L197 VanDerWaalsContact O-N 3.15Å; S195-L197 WeakPolarHBondContact OG-CB 3.42Å; S195-L197 WeakPolarHBondContact OG-CG 3.32Å; S195-L197 PolarHBondContact OG-N 3.26Å; S195-S229 PolarHBondContact O-OG 2.9Å; S195-K233 WeakPolarHBondContact O-CE 3.22Å
196	L	93.8	Very high	88.2	Confident	149 Å²	149	37.7 Å²	37.7	78%	0.78	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	22.3	-172.1	-53.1	173.4	0	0	0	113.4	S192 Q193 Y194	S192-L196 PolarHBondContact O-N 3.38Å; Q193-L196 PolarHBondContact O-N 3.05Å; Y194-L196 PolarHBondContact O-N 3.17Å
197	L	89.4	Confident	87.8	Confident	23 Å²	23	38.3 Å²	38.3	12%	0.12	19%	0.187	C	C	.	.			trans	-84.8	149.4	177.2	-68.5	176	0	0	0	111.7	S195 T199 L202 K233 F236 W252	S195-L197 PolarHBondContact O-N 3.18Å; S195-L197 VanDerWaalsContact O-N 3.15Å; S195-L197 WeakPolarHBondContact OG-CB 3.42Å; S195-L197 WeakPolarHBondContact OG-CG 3.32Å; S195-L197 PolarHBondContact OG-N 3.26Å; L197-T199 HydrophobicContact CB-CG2 3.82Å; L197-T199 PolarHBondContact O-N 2.96Å; L197-L202 WeakPolarHBondContact O-CD1 3.37Å; L197-K233 HydrophobicContact CD1-CB 4.02Å; L197-K233 HydrophobicContact CD1-CG 3.87Å; L197-K233 HydrophobicContact CD2-CD 4.28Å; L197-K233 HydrophobicContact CD2-CG 4.19Å; L197-K233 HydrophobicContact CG-CG 3.92Å; L197-F236 HydrophobicContact CD1-CB 3.86Å; L197-F236 HydrophobicContact CD1-CD2 4.09Å; L197-F236 HydrophobicContact CD1-CG 4.18Å; L197-W252 HydrophobicContact CB-CG 4.37Å; L197-W252 HydrophobicContact CD1-CB 4.49Å; L197-W252 HydrophobicContact CD1-CD2 3.94Å; L197-W252 HydrophobicContact CD1-CE3 4.04Å; L197-W252 HydrophobicContact CD1-CG 4.14Å; L197-W252 HydrophobicContact CD2-CD2 4.38Å
198	H	87.5	Confident	87.6	Confident	58 Å²	58	42 Å²	42	27%	0.269	21%	0.213	S	C	.	.			trans	-73.7	93.7	167.5	-170.7	-116.8	0	0	0	110	Y203 S249 W252	H198-Y203 AromaticContact CE1-CE2 3.91Å; H198-Y203 PolarHBondContact CE1-OH 3.06Å; H198-Y203 AromaticContact NE2-CE2 3.47Å; H198-Y203 WeakPolarHBondContact NE2-CE2 3.47Å; H198-Y203 AromaticContact NE2-CZ 3.46Å; H198-Y203 PolarHBondContact NE2-OH 3.12Å; H198-S249 PolarHBondContact CE1-OG 2.94Å; H198-S249 PolarHBondContact ND1-OG 3.22Å; H198-S249 VanDerWaalsContact ND1-OG 3.13Å; H198-W252 PolarHBondContact O-N 2.74Å
199	T	86.6	Confident	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-113.4	160.9	-176.9	68.3	0	0	0	0	112.1	S192 L197 F201 L202 F236 W252	S192-T199 WeakPolarHBondContact CB-OG1 3.37Å; S192-T199 PolarHBondContact OG-OG1 2.69Å; L197-T199 HydrophobicContact CB-CG2 3.82Å; L197-T199 PolarHBondContact O-N 2.96Å; T199-F201 PolarHBondContact O-N 3.14Å; T199-L202 PolarHBondContact O-N 2.96Å; T199-F236 HydrophobicContact CG2-CD1 3.68Å; T199-F236 HydrophobicContact CG2-CE1 3.77Å; T199-F236 HydrophobicContact CG2-CG 4.17Å; T199-F236 HydrophobicContact CG2-CZ 4.32Å; T199-W252 WeakPolarHBondContact CA-O 3.36Å; T199-W252 HydrophobicContact CG2-CB 4.02Å
200	D	75.4	Confident	87.5	Confident	28 Å²	28	46.2 Å²	46.2	15%	0.15	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.8	172.9	58.2	-13.4	0	0	0	113	L202 Y203 L251 W252	D200-L202 VanDerWaalsContact C-N 3.25Å; D200-L202 PolarHBondContact O-N 2.73Å; D200-Y203 PolarHBondContact O-N 3.45Å; D200-Y203 VanDerWaalsContact O-N 3.13Å; D200-L251 HydrophobicContact CB-CD2 4.04Å; D200-L251 HydrophobicContact CB-CG 4.34Å; D200-W252 PolarHBondContact N-O 3.44Å
201	F	80.3	Confident	87.3	Confident	11 Å²	11	47.8 Å²	47.8	5%	0.048	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.6	178.2	-72	-78	0	0	0	114.5	C188 K189 T199 Y203 T204 F236 L258	C188-F201 HydrophobicContact CB-CD1 4.49Å; C188-F201 HydrophobicContact CB-CD2 4.44Å; C188-F201 HydrophobicContact CB-CE1 3.83Å; C188-F201 HydrophobicContact CB-CE2 3.79Å; C188-F201 HydrophobicContact CB-CZ 3.43Å; C188-F201 VanDerWaalsContact CB-CZ 3.43Å; K189-F201 HydrophobicContact CG-CB 4.18Å; K189-F201 HydrophobicContact CG-CD1 3.63Å; K189-F201 HydrophobicContact CG-CE1 4.46Å; K189-F201 HydrophobicContact CG-CG 4.22Å; T199-F201 PolarHBondContact O-N 3.14Å; F201-Y203 PolarHBondContact O-N 3.3Å; F201-Y203 VanDerWaalsContact O-N 3.14Å; F201-T204 PolarHBondContact O-N 3.2Å; F201-T204 VanDerWaalsContact O-N 3.13Å; F201-T204 PolarHBondContact O-OG1 3.13Å; F201-F236 HydrophobicContact CD2-CE1 4.14Å; F201-F236 HydrophobicContact CE2-CE1 4.33Å; F201-L258 HydrophobicContact CE1-CD2 3.97Å; F201-L258 HydrophobicContact CZ-CD1 3.98Å; F201-L258 HydrophobicContact CZ-CD2 3.98Å
202	L	73.4	Confident	87.2	Confident	86 Å²	86	51.9 Å²	51.9	45%	0.45	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20	178.5	-65	178.6	0	0	0	113.1	Q193 L197 T199 D200	Q193-L202 HydrophobicContact CG-CD2 4.38Å; L197-L202 WeakPolarHBondContact O-CD1 3.37Å; T199-L202 PolarHBondContact O-N 2.96Å; D200-L202 VanDerWaalsContact C-N 3.25Å; D200-L202 PolarHBondContact O-N 2.73Å
203	Y	70.7	Confident	87.3	Confident	113 Å²	113	54.2 Å²	54.2	44%	0.443	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-100.1	-0.2	-178.8	-63.7	-71.1	0	0	0	114.1	H198 D200 F201 L251	H198-Y203 AromaticContact CE1-CE2 3.91Å; H198-Y203 PolarHBondContact CE1-OH 3.06Å; H198-Y203 AromaticContact NE2-CE2 3.47Å; H198-Y203 WeakPolarHBondContact NE2-CE2 3.47Å; H198-Y203 AromaticContact NE2-CZ 3.46Å; H198-Y203 PolarHBondContact NE2-OH 3.12Å; D200-Y203 PolarHBondContact O-N 3.45Å; D200-Y203 VanDerWaalsContact O-N 3.13Å; F201-Y203 PolarHBondContact O-N 3.3Å; F201-Y203 VanDerWaalsContact O-N 3.14Å; Y203-L251 HydrophobicContact CD2-CD1 4.39Å; Y203-L251 HydrophobicContact CE2-CD1 4Å
204	T	71.7	Confident	87.3	Confident	8 Å²	8	51 Å²	51	5%	0.049	26%	0.262	C	S	.	.	S	Bend	trans	-98.9	130.8	-178.3	65.3	0	0	0	0	108.9	K189 F201 L460 D461	K189-T204 WeakPolarHBondContact CE-OG1 3.33Å; K189-T204 PolarHBondContact NZ-O 2.77Å; K189-T204 PolarHBondContact NZ-OG1 3Å; F201-T204 PolarHBondContact O-N 3.2Å; F201-T204 VanDerWaalsContact O-N 3.13Å; F201-T204 PolarHBondContact O-OG1 3.13Å; T204-L460 WeakPolarHBondContact CG2-O 3.15Å; T204-D461 HydrophobicContact CG2-CB 3.82Å
205	N	75.2	Confident	87.3	Confident	133 Å²	133	51.4 Å²	51.4	71%	0.711	27%	0.267	S	S	*	.			trans	-75	152.1	178.5	-70.4	-24.1	0	0	0	111.1	R185 K189	R185-N205 PolarHBondContact NH2-O 2.98Å; R185-N205 VanDerWaalsContact NH2-O 3.09Å; K189-N205 PolarHBondContact NZ-O 3.34Å
206	E	82.9	Confident	87.4	Confident	55 Å²	55	55.1 Å²	55.1	26%	0.257	29%	0.285	S	S	.	.			trans	-127.1	154.8	165.9	62.2	-95.1	-152.9	0	0	110.7	K189 C210 I214	K189-E206 IonicContact NZ-OE2 3.61Å; K189-E206 PolarHBondContact NZ-OE2 3.42Å; E206-C210 HydrophobicContact CB-CB 3.89Å; E206-I214 HydrophobicContact CG-CD1 4.22Å
207	C	86.9	Confident	87.6	Confident	17 Å²	17	48 Å²	48	12%	0.115	25%	0.248	C	C	.	.			trans	-74.8	162.6	168.5	71.1	0	0	0	0	109.8	H209 C210 S211 C327 C328	C207-H209 PolarHBondContact O-N 2.89Å; C207-C210 PolarHBondContact O-N 3.49Å; C207-C210 VanDerWaalsContact O-N 3.12Å; C207-S211 PolarHBondContact O-N 2.75Å; C207-C327 VanDerWaalsContact CB-SG 3.5Å; C207-C328 PolarHBondContact N-SG 2.74Å
208	S	93.1	Very high	88.1	Confident	78 Å²	78	48.3 Å²	48.3	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-52	-41.6	177.4	50.4	0	0	0	0	112.6	C210 S211 N212	S208-C210 PolarHBondContact O-N 2.85Å; S208-S211 PolarHBondContact O-N 3.27Å; S208-N212 PolarHBondContact O-N 2.79Å; S208-N212 PolarHBondContact O-OD1 2.69Å
209	H	94.4	Very high	88.6	Confident	88 Å²	88	51.8 Å²	51.8	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-45.6	178.9	-56.8	-64.6	0	0	0	112.9	C207 N212 Q213 V323	C207-H209 PolarHBondContact O-N 2.89Å; H209-N212 PolarHBondContact O-N 2.66Å; H209-Q213 WeakPolarHBondContact O-CG 3.45Å; H209-Q213 PolarHBondContact O-N 2.84Å; H209-V323 HydrophobicContact CB-CG1 3.48Å; H209-V323 VanDerWaalsContact CB-CG1 3.48Å
210	C	93.9	Very high	89.1	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-40.7	176.1	-74.7	0	0	0	0	111.6	E206 C207 S208 N212 Q213 I214 C326	E206-C210 HydrophobicContact CB-CB 3.89Å; C207-C210 PolarHBondContact O-N 3.49Å; C207-C210 VanDerWaalsContact O-N 3.12Å; S208-C210 PolarHBondContact O-N 2.85Å; C210-N212 VanDerWaalsContact C-N 3.31Å; C210-N212 PolarHBondContact O-N 3.48Å; C210-Q213 PolarHBondContact O-N 3.5Å; C210-I214 WeakPolarHBondContact O-CD1 3.16Å; C210-I214 VanDerWaalsContact O-CG1 3.25Å; C210-I214 WeakPolarHBondContact O-CG1 3.47Å; C210-I214 PolarHBondContact O-N 2.96Å; C210-C326 PolarHBondContact SG-SG 2.77Å
211	S	94.8	Very high	90.2	Very high	34 Å²	34	54.8 Å²	54.8	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-42.8	177.6	-171.8	0	0	0	0	111.4	C207 S208 Q213 I214 N215	C207-S211 PolarHBondContact O-N 2.75Å; S208-S211 PolarHBondContact O-N 3.27Å; S211-Q213 PolarHBondContact O-N 2.87Å; S211-I214 WeakPolarHBondContact O-CB 3.46Å; S211-I214 PolarHBondContact O-N 2.8Å; S211-N215 PolarHBondContact O-N 3.32Å; S211-N215 PolarHBondContact O-ND2 2.81Å
212	N	96.1	Very high	91.1	Very high	86 Å²	86	54.3 Å²	54.3	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-46.2	175.3	-69.3	-3.5	0	0	0	111.8	S208 H209 C210 I214 N215 H216	S208-N212 PolarHBondContact O-N 2.79Å; S208-N212 PolarHBondContact O-OD1 2.69Å; H209-N212 PolarHBondContact O-N 2.66Å; C210-N212 VanDerWaalsContact C-N 3.31Å; C210-N212 PolarHBondContact O-N 3.48Å; N212-I214 VanDerWaalsContact C-N 3.35Å; N212-I214 PolarHBondContact O-N 2.72Å; N212-N215 PolarHBondContact O-N 3.25Å; N212-H216 PolarHBondContact O-CD2 3.44Å; N212-H216 VanDerWaalsContact O-CD2 3.23Å; N212-H216 PolarHBondContact O-N 3.29Å
213	Q	96.9	Very high	92.3	Very high	49 Å²	49	53.2 Å²	53.2	23%	0.229	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-37.1	177.9	-61.3	-44.9	-43.9	0	0	112.7	F140 I186 H209 C210 S211 N215 H216 L217 V323	F140-Q213 HydrophobicContact CE1-CB 4.02Å; F140-Q213 HydrophobicContact CE1-CG 3.98Å; F140-Q213 HydrophobicContact CZ-CB 4.02Å; F140-Q213 HydrophobicContact CZ-CG 4.47Å; I186-Q213 HydrophobicContact CG2-CB 4.45Å; H209-Q213 WeakPolarHBondContact O-CG 3.45Å; H209-Q213 PolarHBondContact O-N 2.84Å; C210-Q213 PolarHBondContact O-N 3.5Å; S211-Q213 PolarHBondContact O-N 2.87Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-H216 PolarHBondContact O-N 3.5Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 2.93Å; Q213-L217 VanDerWaalsContact O-N 3.12Å; Q213-V323 HydrophobicContact CB-CG2 4.32Å; Q213-V323 HydrophobicContact CG-CG2 3.56Å
214	I	97	Very high	93.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-45.4	174.1	-71.1	161.2	0	0	0	110.5	I186 K189 S190 E206 C210 S211 N212 L217 I218	I186-I214 HydrophobicContact CG2-CG1 4.01Å; K189-I214 HydrophobicContact CB-CD1 3.7Å; K189-I214 HydrophobicContact CB-CG1 4.12Å; K189-I214 HydrophobicContact CD-CD1 3.61Å; K189-I214 HydrophobicContact CG-CD1 4.29Å; S190-I214 WeakPolarHBondContact OG-CA 3.42Å; E206-I214 HydrophobicContact CG-CD1 4.22Å; C210-I214 WeakPolarHBondContact O-CD1 3.16Å; C210-I214 VanDerWaalsContact O-CG1 3.25Å; C210-I214 WeakPolarHBondContact O-CG1 3.47Å; C210-I214 PolarHBondContact O-N 2.96Å; S211-I214 WeakPolarHBondContact O-CB 3.46Å; S211-I214 PolarHBondContact O-N 2.8Å; N212-I214 VanDerWaalsContact C-N 3.35Å; N212-I214 PolarHBondContact O-N 2.72Å; I214-L217 PolarHBondContact O-N 3.47Å; I214-I218 HydrophobicContact CG2-CD1 3.72Å; I214-I218 WeakPolarHBondContact O-CG1 3.37Å; I214-I218 PolarHBondContact O-N 3.08Å; I214-I218 VanDerWaalsContact O-N 3.07Å
215	N	97.7	Very high	94.8	Very high	56 Å²	56	56.2 Å²	56.2	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-40.7	178.8	-70.2	-27.8	0	0	0	112.3	S211 N212 Q213 L217 I218 Q219	S211-N215 PolarHBondContact O-N 3.32Å; S211-N215 PolarHBondContact O-ND2 2.81Å; N212-N215 PolarHBondContact O-N 3.25Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; N215-L217 PolarHBondContact O-N 3.41Å; N215-I218 PolarHBondContact O-N 3.32Å; N215-Q219 WeakPolarHBondContact O-CB 3.42Å; N215-Q219 WeakPolarHBondContact O-CG 3.42Å; N215-Q219 PolarHBondContact O-N 3.43Å
216	H	97.9	Very high	95.9	Very high	79 Å²	79	57.3 Å²	57.3	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-44.5	174.5	-83.1	-63.8	0	0	0	112.5	F139 N212 Q213 I218 D220 I221	F139-H216 HydrophobicContact CE1-CB 4.31Å; F139-H216 HydrophobicContact CZ-CB 3.87Å; N212-H216 PolarHBondContact O-CD2 3.44Å; N212-H216 VanDerWaalsContact O-CD2 3.23Å; N212-H216 PolarHBondContact O-N 3.29Å; Q213-H216 PolarHBondContact O-N 3.5Å; H216-I218 VanDerWaalsContact C-N 3.29Å; H216-I218 PolarHBondContact O-N 2.8Å; H216-D220 IonicContact CE1-OD2 2.84Å; H216-D220 IonicContact CG-OD2 2.58Å; H216-D220 IonicContact ND1-OD2 3.77Å; H216-D220 PolarHBondContact ND1-OD2 3.34Å; H216-D220 WeakPolarHBondContact O-CB 3.31Å; H216-D220 PolarHBondContact O-N 2.99Å; H216-I221 PolarHBondContact O-N 2.78Å
217	L	98.6	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-60.5	-41.3	175.8	-68	-177.3	0	0	0	111.8	F139 F140 I186 S190 Q213 I214 N215 I221 F222	F139-L217 HydrophobicContact CD1-CD2 3.84Å; F139-L217 HydrophobicContact CE1-CD2 4.38Å; F139-L217 HydrophobicContact CG-CD2 4.44Å; F140-L217 HydrophobicContact CE2-CD1 4.08Å; F140-L217 HydrophobicContact CE2-CD2 4.19Å; F140-L217 HydrophobicContact CE2-CG 4.44Å; F140-L217 HydrophobicContact CZ-CD1 4.27Å; F140-L217 HydrophobicContact CZ-CD2 4.4Å; F140-L217 HydrophobicContact CZ-CG 4.37Å; I186-L217 HydrophobicContact CG2-CD1 3.8Å; S190-L217 WeakPolarHBondContact OG-CD1 3.26Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 2.93Å; Q213-L217 VanDerWaalsContact O-N 3.12Å; I214-L217 PolarHBondContact O-N 3.47Å; N215-L217 PolarHBondContact O-N 3.41Å; L217-I221 HydrophobicContact CD2-CB 4.09Å; L217-I221 HydrophobicContact CD2-CG1 3.89Å; L217-I221 HydrophobicContact CD2-CG2 4.33Å; L217-I221 PolarHBondContact O-N 3.27Å; L217-F222 HydrophobicContact CB-CE1 4.28Å; L217-F222 HydrophobicContact CB-CZ 4.21Å; L217-F222 WeakPolarHBondContact O-CB 3.49Å; L217-F222 WeakPolarHBondContact O-CD1 3.11Å; L217-F222 WeakPolarHBondContact O-CG 3.41Å; L217-F222 PolarHBondContact O-N 3.49Å
218	I	98.4	Very high	97.1	Very high	28 Å²	28	57.2 Å²	57.2	14%	0.144	30%	0.299	C	S	.	.	I	π-helix	trans	-69.7	-45.1	-179.2	-74.1	168	0	0	0	112.9	Q193 Y194 I214 N215 H216 F222 P223	Q193-I218 HydrophobicContact CB-CD1 3.67Å; Q193-I218 HydrophobicContact CG-CD1 4.46Å; Q193-I218 VanDerWaalsContact OE1-CD1 3.23Å; Y194-I218 HydrophobicContact CD2-CB 4.49Å; Y194-I218 HydrophobicContact CD2-CG2 3.97Å; Y194-I218 HydrophobicContact CE2-CG2 4.5Å; I214-I218 HydrophobicContact CG2-CD1 3.72Å; I214-I218 WeakPolarHBondContact O-CG1 3.37Å; I214-I218 PolarHBondContact O-N 3.08Å; I214-I218 VanDerWaalsContact O-N 3.07Å; N215-I218 PolarHBondContact O-N 3.32Å; H216-I218 VanDerWaalsContact C-N 3.29Å; H216-I218 PolarHBondContact O-N 2.8Å; I218-F222 HydrophobicContact CG1-CD2 4.47Å; I218-F222 HydrophobicContact CG1-CE2 4.37Å; I218-P223 WeakPolarHBondContact O-CD 3.28Å
219	Q	98	Very high	97.3	Very high	131 Å²	131	55.2 Å²	55.2	61%	0.612	29%	0.285	S	S	*	.	I	π-helix	trans	-87.3	-34.4	-170.2	-67.9	-179.3	-14	0	0	112.6	N215 P223	N215-Q219 WeakPolarHBondContact O-CB 3.42Å; N215-Q219 WeakPolarHBondContact O-CG 3.42Å; N215-Q219 PolarHBondContact O-N 3.43Å; Q219-P223 WeakPolarHBondContact O-CG 3.48Å
220	D	98.1	Very high	97.4	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	29%	0.292	S	S	.	.	I	π-helix	trans	-108.9	-59.7	-171.3	-51	-40.2	0	0	0	110.4	H216 P223 E224	H216-D220 IonicContact CE1-OD2 2.84Å; H216-D220 IonicContact CG-OD2 2.58Å; H216-D220 IonicContact ND1-OD2 3.77Å; H216-D220 PolarHBondContact ND1-OD2 3.34Å; H216-D220 WeakPolarHBondContact O-CB 3.31Å; H216-D220 PolarHBondContact O-N 2.99Å; D220-P223 WeakPolarHBondContact O-CD 3.33Å; D220-E224 WeakPolarHBondContact O-CB 3.33Å; D220-E224 PolarHBondContact O-N 3.41Å; D220-E224 VanDerWaalsContact O-N 3.13Å
221	I	98.5	Very high	97.6	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.077	30%	0.301	C	S	.	.	I	π-helix	trans	-74.2	-44.5	-166.9	-54.5	-54.6	0	0	0	113	A135 F139 H216 L217 E224 I225	A135-I221 HydrophobicContact CB-CG2 3.6Å; F139-I221 HydrophobicContact CB-CD1 4.03Å; F139-I221 HydrophobicContact CB-CG1 4.15Å; F139-I221 HydrophobicContact CD2-CD1 3.67Å; F139-I221 HydrophobicContact CD2-CG1 4.04Å; F139-I221 HydrophobicContact CE2-CD1 4.39Å; F139-I221 HydrophobicContact CG-CD1 3.99Å; F139-I221 HydrophobicContact CG-CG1 3.99Å; H216-I221 PolarHBondContact O-N 2.78Å; L217-I221 HydrophobicContact CD2-CB 4.09Å; L217-I221 HydrophobicContact CD2-CG1 3.89Å; L217-I221 HydrophobicContact CD2-CG2 4.33Å; L217-I221 PolarHBondContact O-N 3.27Å; I221-E224 PolarHBondContact O-N 3.23Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.18Å; I221-I225 VanDerWaalsContact O-N 3.12Å
222	F	98.7	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-43.2	-179.4	-67.4	-10.8	0	0	0	112.7	A132 L187 L191 Y194 L217 I218 I225 Q226 L227	A132-F222 HydrophobicContact CB-CE1 4.03Å; L187-F222 HydrophobicContact CD1-CE1 4.24Å; L187-F222 HydrophobicContact CD1-CZ 4.08Å; L191-F222 HydrophobicContact CD2-CE2 4.11Å; L191-F222 HydrophobicContact CD2-CZ 3.92Å; L191-F222 HydrophobicContact CG-CE2 4.37Å; L191-F222 HydrophobicContact CG-CZ 4.02Å; Y194-F222 AromaticContact CD1-CD2 3.96Å; Y194-F222 HydrophobicContact CD1-CD2 3.96Å; Y194-F222 AromaticContact CD2-CD2 3.97Å; Y194-F222 HydrophobicContact CD2-CD2 3.97Å; Y194-F222 HydrophobicContact CE1-CB 4.13Å; Y194-F222 HydrophobicContact CE1-CD2 4.36Å; Y194-F222 HydrophobicContact CE2-CB 4.18Å; Y194-F222 HydrophobicContact CE2-CD2 4.38Å; Y194-F222 AromaticContact CG-CD2 3.73Å; Y194-F222 HydrophobicContact CG-CD2 3.73Å; Y194-F222 HydrophobicContact CG-CE2 4.36Å; L217-F222 HydrophobicContact CB-CE1 4.28Å; L217-F222 HydrophobicContact CB-CZ 4.21Å; L217-F222 WeakPolarHBondContact O-CB 3.49Å; L217-F222 WeakPolarHBondContact O-CD1 3.11Å; L217-F222 WeakPolarHBondContact O-CG 3.41Å; L217-F222 PolarHBondContact O-N 3.49Å; I218-F222 HydrophobicContact CG1-CD2 4.47Å; I218-F222 HydrophobicContact CG1-CE2 4.37Å; F222-I225 HydrophobicContact CD1-CD1 4.39Å; F222-I225 WeakPolarHBondContact O-CG1 3.44Å; F222-Q226 PolarHBondContact O-N 3.04Å; F222-L227 HydrophobicContact CB-CB 4.15Å; F222-L227 HydrophobicContact CB-CD2 4Å; F222-L227 HydrophobicContact CD1-CD2 4.1Å; F222-L227 HydrophobicContact CD2-CD2 3.9Å; F222-L227 HydrophobicContact CE2-CD2 4.4Å; F222-L227 HydrophobicContact CG-CD2 3.73Å; F222-L227 WeakPolarHBondContact O-CB 3.35Å; F222-L227 PolarHBondContact O-N 2.93Å
223	P	98.1	Very high	97.8	Very high	64 Å²	64	56 Å²	56	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-41.6	171.3	-27.7	38.9	0	0	0	113.5	I218 Q219 D220 I225 Q226	I218-P223 WeakPolarHBondContact O-CD 3.28Å; Q219-P223 WeakPolarHBondContact O-CG 3.48Å; D220-P223 WeakPolarHBondContact O-CD 3.33Å; P223-I225 VanDerWaalsContact C-N 3.32Å; P223-I225 PolarHBondContact O-N 3.4Å; P223-Q226 WeakPolarHBondContact O-CA 3.35Å; P223-Q226 PolarHBondContact O-N 2.58Å
224	E	97.9	Very high	97.9	Very high	145 Å²	145	55.4 Å²	55.4	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-56.1	-46.4	178.9	-176.7	-174	168.3	0	0	111.6	D220 I221 Q226	D220-E224 WeakPolarHBondContact O-CB 3.33Å; D220-E224 PolarHBondContact O-N 3.41Å; D220-E224 VanDerWaalsContact O-N 3.13Å; I221-E224 PolarHBondContact O-N 3.23Å; E224-Q226 PolarHBondContact O-N 3.28Å
225	I	97.9	Very high	97.9	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.195	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	7	177.8	72.3	-175.2	0	0	0	113.2	K131 A135 I221 F222 P223 L227	K131-I225 WeakPolarHBondContact CE-O 3.48Å; K131-I225 HydrophobicContact CG-CD1 4.24Å; K131-I225 PolarHBondContact NZ-O 3.49Å; A135-I225 HydrophobicContact CB-CD1 3.64Å; A135-I225 HydrophobicContact CB-CG2 3.68Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.18Å; I221-I225 VanDerWaalsContact O-N 3.12Å; F222-I225 HydrophobicContact CD1-CD1 4.39Å; F222-I225 WeakPolarHBondContact O-CG1 3.44Å; P223-I225 VanDerWaalsContact C-N 3.32Å; P223-I225 PolarHBondContact O-N 3.4Å; I225-L227 VanDerWaalsContact C-N 3.26Å; I225-L227 HydrophobicContact CD1-CB 4.18Å; I225-L227 HydrophobicContact CG1-CB 3.89Å; I225-L227 PolarHBondContact O-N 2.81Å
226	Q	98	Very high	97.8	Very high	157 Å²	157	52.8 Å²	52.8	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	41.3	-177	-52.8	171.9	8.1	0	0	112.2	F222 P223 E224	F222-Q226 PolarHBondContact O-N 3.04Å; P223-Q226 WeakPolarHBondContact O-CA 3.35Å; P223-Q226 PolarHBondContact O-N 2.58Å; E224-Q226 PolarHBondContact O-N 3.28Å
227	L	98.2	Very high	97.7	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.253	C	S	.	.			trans	-82.5	124.5	168.8	-168.9	108.1	0	0	0	107.8	T128 A132 L191 Y194 F222 I225 D231 A232	T128-L227 HydrophobicContact CG2-CD1 3.78Å; A132-L227 HydrophobicContact CB-CD1 4.24Å; L191-L227 HydrophobicContact CD2-CD2 3.92Å; Y194-L227 HydrophobicContact CD1-CD2 3.82Å; Y194-L227 HydrophobicContact CE1-CD2 3.86Å; Y194-L227 WeakPolarHBondContact CE1-O 3.37Å; Y194-L227 PolarHBondContact OH-O 2.83Å; F222-L227 HydrophobicContact CB-CB 4.15Å; F222-L227 HydrophobicContact CB-CD2 4Å; F222-L227 HydrophobicContact CD1-CD2 4.1Å; F222-L227 HydrophobicContact CD2-CD2 3.9Å; F222-L227 HydrophobicContact CE2-CD2 4.4Å; F222-L227 HydrophobicContact CG-CD2 3.73Å; F222-L227 WeakPolarHBondContact O-CB 3.35Å; F222-L227 PolarHBondContact O-N 2.93Å; I225-L227 VanDerWaalsContact C-N 3.26Å; I225-L227 HydrophobicContact CD1-CB 4.18Å; I225-L227 HydrophobicContact CG1-CB 3.89Å; I225-L227 PolarHBondContact O-N 2.81Å; L227-D231 HydrophobicContact CD1-CB 4.32Å; L227-D231 HydrophobicContact CG-CB 4.17Å; L227-A232 HydrophobicContact CD2-CB 4.2Å
228	T	97.9	Very high	97.3	Very high	67 Å²	67	50.5 Å²	50.5	41%	0.411	26%	0.26	S	S	.	.			trans	-93.4	163.4	175.9	70.9	0	0	0	0	111.5	Y194 N230 D231 A232	Y194-T228 VanDerWaalsContact CE1-C 3.42Å; T228-N230 PolarHBondContact O-N 3.4Å; T228-N230 PolarHBondContact OG1-N 2.83Å; T228-D231 WeakPolarHBondContact CB-OD2 3.06Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.41Å; T228-D231 PolarHBondContact N-OD2 2.82Å; T228-D231 WeakPolarHBondContact O-CB 3.35Å; T228-D231 PolarHBondContact O-N 2.95Å; T228-D231 VanDerWaalsContact O-N 3.12Å; T228-D231 PolarHBondContact OG1-N 3.32Å; T228-D231 VanDerWaalsContact OG1-N 3.11Å; T228-D231 PolarHBondContact OG1-OD2 2.84Å; T228-A232 PolarHBondContact O-N 2.83Å
229	S	97.2	Very high	96.5	Very high	35 Å²	35	52.5 Å²	52.5	25%	0.245	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-36.7	172.1	-178.3	0	0	0	0	111.6	Y194 S195 A232 K233	Y194-S229 VanDerWaalsContact O-CB 3.24Å; Y194-S229 WeakPolarHBondContact O-CB 3.3Å; Y194-S229 PolarHBondContact O-OG 3.38Å; S195-S229 PolarHBondContact O-OG 2.9Å; S229-A232 PolarHBondContact O-N 3.4Å; S229-K233 WeakPolarHBondContact O-CG 3.4Å; S229-K233 PolarHBondContact O-N 3.26Å
230	N	96.7	Very high	95.3	Very high	103 Å²	103	53.5 Å²	53.5	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-67.5	-37.4	177	-167.3	69.9	0	0	0	112.3	T228 K233	T228-N230 PolarHBondContact O-N 3.4Å; T228-N230 PolarHBondContact OG1-N 2.83Å; N230-K233 WeakPolarHBondContact O-CB 3.49Å; N230-K233 PolarHBondContact O-N 2.95Å
231	D	97.9	Very high	93.7	Very high	46 Å²	46	55.3 Å²	55.3	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-46.5	172.8	-59.2	-45.8	0	0	0	110.4	T128 L227 T228 K233 N234	T128-D231 HydrophobicContact CG2-CB 3.88Å; T128-D231 WeakPolarHBondContact CG2-O 3.29Å; L227-D231 HydrophobicContact CD1-CB 4.32Å; L227-D231 HydrophobicContact CG-CB 4.17Å; T228-D231 WeakPolarHBondContact CB-OD2 3.06Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.41Å; T228-D231 PolarHBondContact N-OD2 2.82Å; T228-D231 WeakPolarHBondContact O-CB 3.35Å; T228-D231 PolarHBondContact O-N 2.95Å; T228-D231 VanDerWaalsContact O-N 3.12Å; T228-D231 PolarHBondContact OG1-N 3.32Å; T228-D231 VanDerWaalsContact OG1-N 3.11Å; T228-D231 PolarHBondContact OG1-OD2 2.84Å; D231-K233 PolarHBondContact O-N 3.22Å; D231-K233 VanDerWaalsContact O-N 3.16Å; D231-N234 WeakPolarHBondContact O-CA 3.49Å; D231-N234 WeakPolarHBondContact O-CB 3.18Å; D231-N234 PolarHBondContact O-N 2.84Å; D231-N234 PolarHBondContact O-ND2 3.34Å
232	A	98	Very high	91.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-30.5	178.9	0	0	0	0	0	113.4	L191 Y194 L227 T228 S229 N234 C235 F236	L191-A232 HydrophobicContact CD2-CB 4.01Å; Y194-A232 HydrophobicContact CD1-CB 3.91Å; L227-A232 HydrophobicContact CD2-CB 4.2Å; T228-A232 PolarHBondContact O-N 2.83Å; S229-A232 PolarHBondContact O-N 3.4Å; A232-N234 PolarHBondContact O-N 2.77Å; A232-C235 WeakPolarHBondContact O-CB 3.49Å; A232-C235 PolarHBondContact O-N 2.87Å; A232-F236 WeakPolarHBondContact O-CD2 3.04Å
233	K	97.1	Very high	88.6	Confident	82 Å²	82	70.1 Å²	70.1	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-29	172	-64	178.2	-177.6	176.4	0	112.4	S195 L197 S229 N230 D231 C235 F236	S195-K233 WeakPolarHBondContact O-CE 3.22Å; L197-K233 HydrophobicContact CD1-CB 4.02Å; L197-K233 HydrophobicContact CD1-CG 3.87Å; L197-K233 HydrophobicContact CD2-CD 4.28Å; L197-K233 HydrophobicContact CD2-CG 4.19Å; L197-K233 HydrophobicContact CG-CG 3.92Å; S229-K233 WeakPolarHBondContact O-CG 3.4Å; S229-K233 PolarHBondContact O-N 3.26Å; N230-K233 WeakPolarHBondContact O-CB 3.49Å; N230-K233 PolarHBondContact O-N 2.95Å; D231-K233 PolarHBondContact O-N 3.22Å; D231-K233 VanDerWaalsContact O-N 3.16Å; K233-C235 PolarHBondContact O-N 3.1Å; K233-F236 PolarHBondContact O-N 3Å; K233-F236 VanDerWaalsContact O-N 3.08Å
234	N	97.3	Very high	85.7	Confident	37 Å²	37	72.3 Å²	72.3	20%	0.198	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.3	175.4	-61.5	-45.1	0	0	0	112.6	K120 V124 A125 D231 A232 F236	K120-N234 WeakPolarHBondContact CE-O 3.35Å; K120-N234 VanDerWaalsContact NZ-C 3.32Å; K120-N234 PolarHBondContact NZ-O 3.49Å; V124-N234 HydrophobicContact CG1-CB 4.26Å; V124-N234 WeakPolarHBondContact CG1-ND2 3.37Å; A125-N234 WeakPolarHBondContact CA-O 3.25Å; A125-N234 WeakPolarHBondContact CB-O 3.18Å; D231-N234 WeakPolarHBondContact O-CA 3.49Å; D231-N234 WeakPolarHBondContact O-CB 3.18Å; D231-N234 PolarHBondContact O-N 2.84Å; D231-N234 PolarHBondContact O-ND2 3.34Å; A232-N234 PolarHBondContact O-N 2.77Å; N234-F236 VanDerWaalsContact C-N 3.27Å; N234-F236 PolarHBondContact O-N 3.42Å
235	C	98	Very high	83	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2	175.1	-59.4	0	0	0	0	114.1	F129 L191 A232 K233 V255	F129-C235 HydrophobicContact CD2-CB 4.04Å; L191-C235 HydrophobicContact CD1-CB 3.93Å; A232-C235 WeakPolarHBondContact O-CB 3.49Å; A232-C235 PolarHBondContact O-N 2.87Å; K233-C235 PolarHBondContact O-N 3.1Å; C235-V255 WeakPolarHBondContact O-CG2 3.29Å; C235-V255 PolarHBondContact O-N 3.09Å
236	F	96.5	Very high	80.3	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	178	-61.2	-86.6	0	0	0	111.8	K120 L191 S192 L197 T199 F201 A232 K233 N234 W252 T253	K120-F236 VanDerWaalsContact CE-O 3.26Å; K120-F236 WeakPolarHBondContact CE-O 3.25Å; K120-F236 PolarHBondContact NZ-O 2.87Å; L191-F236 HydrophobicContact CB-CE2 3.87Å; L191-F236 HydrophobicContact CB-CZ 4.03Å; S192-F236 VanDerWaalsContact N-CZ 3.29Å; L197-F236 HydrophobicContact CD1-CB 3.86Å; L197-F236 HydrophobicContact CD1-CD2 4.09Å; L197-F236 HydrophobicContact CD1-CG 4.18Å; T199-F236 HydrophobicContact CG2-CD1 3.68Å; T199-F236 HydrophobicContact CG2-CE1 3.77Å; T199-F236 HydrophobicContact CG2-CG 4.17Å; T199-F236 HydrophobicContact CG2-CZ 4.32Å; F201-F236 HydrophobicContact CD2-CE1 4.14Å; F201-F236 HydrophobicContact CE2-CE1 4.33Å; A232-F236 WeakPolarHBondContact O-CD2 3.04Å; K233-F236 PolarHBondContact O-N 3Å; K233-F236 VanDerWaalsContact O-N 3.08Å; N234-F236 VanDerWaalsContact C-N 3.27Å; N234-F236 PolarHBondContact O-N 3.42Å; F236-W252 HydrophobicContact CB-CB 4.18Å; F236-W252 HydrophobicContact CB-CE3 3.94Å; F236-T253 CarbonylContact C-O 3.56Å; F236-T253 VanDerWaalsContact CA-O 3.28Å; F236-T253 WeakPolarHBondContact CA-O 3.32Å
237	A	94.3	Very high	77.7	Confident	2 Å²	2	73 Å²	73	2%	0.017	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153	176.3	0	0	0	0	0	110.4	F112 N117 K120 T253 V255	F112-A237 HydrophobicContact CB-CB 3.57Å; F112-A237 HydrophobicContact CG-CB 4.2Å; N117-A237 WeakPolarHBondContact OD1-CA 3.36Å; N117-A237 WeakPolarHBondContact OD1-CB 3.41Å; K120-A237 HydrophobicContact CD-CB 4.21Å; A237-T253 PolarHBondContact N-O 2.86Å; A237-T253 PolarHBondContact O-N 3.39Å; A237-V255 HydrophobicContact CB-CG1 3.92Å
238	L	89.9	Confident	75.4	Confident	29 Å²	29	76.8 Å²	76.8	15%	0.152	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-67.9	138.8	167.7	-68.8	174.6	0	0	0	109.5	N117 E250 W252	N117-L238 PolarHBondContact ND2-O 3.11Å; N117-L238 PolarHBondContact OD1-N 3.39Å; L238-E250 WeakPolarHBondContact CD1-OE2 3.28Å; L238-E250 HydrophobicContact CD2-CB 3.65Å; L238-E250 HydrophobicContact CD2-CG 4.43Å; L238-E250 WeakPolarHBondContact CD2-OE2 3.33Å; L238-W252 HydrophobicContact CD1-CH2 4.46Å; L238-W252 HydrophobicContact CD1-CZ2 4.43Å; L238-W252 HydrophobicContact CD2-CD2 3.89Å; L238-W252 HydrophobicContact CD2-CE3 4.35Å; L238-W252 HydrophobicContact CD2-CG 4.33Å; L238-W252 HydrophobicContact CD2-CH2 4.3Å; L238-W252 HydrophobicContact CD2-CZ2 3.83Å; L238-W252 HydrophobicContact CG-CD2 4.36Å; L238-W252 HydrophobicContact CG-CE3 4.33Å; L238-W252 HydrophobicContact CG-CH2 3.96Å; L238-W252 HydrophobicContact CG-CZ2 3.97Å; L238-W252 HydrophobicContact CG-CZ3 4.15Å
239	P	82.1	Confident	73.5	Confident	70 Å²	70	77.3 Å²	77.3	46%	0.455	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.7	165.6	172.5	28	-33.9	0	0	0	110	S116 L241 L251	S116-P239 WeakPolarHBondContact CB-O 3.13Å; P239-L241 PolarHBondContact O-N 3.31Å; P239-L251 VanDerWaalsContact CD-O 3.32Å; P239-L251 WeakPolarHBondContact CD-O 3.4Å
240	K	74.2	Confident	72.3	Confident	151 Å²	151	80.8 Å²	80.8	66%	0.657	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-54.7	120.5	175.5	-74.1	179.8	178.6	177.2	0	109.9	C113 S116 K242	C113-K240 HydrophobicContact CB-CD 4.49Å; C113-K240 HydrophobicContact CB-CG 3.55Å; S116-K240 WeakPolarHBondContact OG-CA 3.21Å; K240-K242 PolarHBondContact O-N 2.83Å
241	L	63.3	Low	71.6	Confident	115 Å²	115	78.6 Å²	78.6	60%	0.602	44%	0.441	S	S	*	.			trans	-44.2	113.1	176.9	-78.4	164.7	0	0	0	109.6	S116 P239	S116-L241 PolarHBondContact OG-N 3.35Å; P239-L241 PolarHBondContact O-N 3.31Å
242	K	52.2	Low	71.2	Confident	136 Å²	136	79.6 Å²	79.6	59%	0.591	44%	0.441	S	S	*	.			trans	-74.2	121.7	166.2	-66	179	-179.3	176.9	0	105.5	K240 S244	K240-K242 PolarHBondContact O-N 2.83Å; K242-S244 PolarHBondContact O-N 2.98Å; K242-S244 VanDerWaalsContact O-N 3.08Å
243	Q	38.9	Very low	70.8	Confident	191 Å²	191	82.1 Å²	82.1	89%	0.893	46%	0.456	S	S	*	.	S	Bend	trans	-57.6	120.8	164.8	-74.6	178.4	-8.1	0	0	106.6
244	S	36.9	Very low	70.6	Confident	110 Å²	110	78.7 Å²	78.7	77%	0.769	44%	0.443	S	S	*	.			trans	66.5	107.2	179.4	67.8	0	0	0	0	117	K242	K242-S244 PolarHBondContact O-N 2.98Å; K242-S244 VanDerWaalsContact O-N 3.08Å
245	T	41.7	Very low	70.6	Confident	110 Å²	110	77 Å²	77	68%	0.675	43%	0.434	S	S	*	.			trans	-170.2	108.9	134	18	0	0	0	0	107.7
246	S	39.6	Very low	70.5	Confident	115 Å²	115	77 Å²	77	80%	0.804	43%	0.434	S	S	*	.			trans	-67.7	133.8	179.3	33.9	0	0	0	0	111.4
247	S	44.9	Very low	70.2	Confident	128 Å²	128	78.7 Å²	78.7	90%	0.895	44%	0.443	S	S	*	.	S	Bend	trans	81.4	-0	159.9	78.7	0	0	0	0	121.4	S249	S247-S249 PolarHBondContact O-N 2.83Å
248	S	49.3	Very low	69.9	Low	83 Å²	83	79 Å²	79	58%	0.58	44%	0.444	S	S	*	.	S	Bend	trans	-73.9	126.9	167.1	64.7	0	0	0	0	109.4	E250	S248-E250 PolarHBondContact O-N 3.32Å; S248-E250 VanDerWaalsContact O-N 3.12Å
249	S	57.3	Low	69.6	Low	78 Å²	78	77.6 Å²	77.6	55%	0.545	44%	0.437	S	S	.	.			trans	-47.1	122.3	170.9	61.2	0	0	0	0	109.3	H198 S247 L251	H198-S249 PolarHBondContact CE1-OG 2.94Å; H198-S249 PolarHBondContact ND1-OG 3.22Å; H198-S249 VanDerWaalsContact ND1-OG 3.13Å; S247-S249 PolarHBondContact O-N 2.83Å; S249-L251 PolarHBondContact O-N 2.87Å
250	E	72	Confident	69.9	Low	109 Å²	109	74.3 Å²	74.3	51%	0.509	42%	0.416	S	S	.	.			trans	-64.7	114.1	-171.7	-66.5	-175.7	149.4	0	0	109.5	L238 S248 W252	L238-E250 WeakPolarHBondContact CD1-OE2 3.28Å; L238-E250 HydrophobicContact CD2-CB 3.65Å; L238-E250 HydrophobicContact CD2-CG 4.43Å; L238-E250 WeakPolarHBondContact CD2-OE2 3.33Å; S248-E250 PolarHBondContact O-N 3.32Å; S248-E250 VanDerWaalsContact O-N 3.12Å; E250-W252 PolarHBondContact O-N 3.41Å
251	L	81.6	Confident	70.6	Confident	57 Å²	57	67.3 Å²	67.3	30%	0.298	39%	0.385	S	S	.	.			trans	-76.2	110.4	-179.6	-169.8	69.4	0	0	0	109.4	D200 Y203 P239 S249	D200-L251 HydrophobicContact CB-CD2 4.04Å; D200-L251 HydrophobicContact CB-CG 4.34Å; Y203-L251 HydrophobicContact CD2-CD1 4.39Å; Y203-L251 HydrophobicContact CE2-CD1 4Å; P239-L251 VanDerWaalsContact CD-O 3.32Å; P239-L251 WeakPolarHBondContact CD-O 3.4Å; S249-L251 PolarHBondContact O-N 2.87Å
252	W	89.8	Confident	71.5	Confident	66 Å²	66	62.3 Å²	62.3	25%	0.25	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-74	145.1	178.3	-69.3	75.7	0	0	0	110.8	L197 H198 T199 D200 F236 L238 E250	L197-W252 HydrophobicContact CB-CG 4.37Å; L197-W252 HydrophobicContact CD1-CB 4.49Å; L197-W252 HydrophobicContact CD1-CD2 3.94Å; L197-W252 HydrophobicContact CD1-CE3 4.04Å; L197-W252 HydrophobicContact CD1-CG 4.14Å; L197-W252 HydrophobicContact CD2-CD2 4.38Å; H198-W252 PolarHBondContact O-N 2.74Å; T199-W252 WeakPolarHBondContact CA-O 3.36Å; T199-W252 HydrophobicContact CG2-CB 4.02Å; D200-W252 PolarHBondContact N-O 3.44Å; F236-W252 HydrophobicContact CB-CB 4.18Å; F236-W252 HydrophobicContact CB-CE3 3.94Å; L238-W252 HydrophobicContact CD1-CH2 4.46Å; L238-W252 HydrophobicContact CD1-CZ2 4.43Å; L238-W252 HydrophobicContact CD2-CD2 3.89Å; L238-W252 HydrophobicContact CD2-CE3 4.35Å; L238-W252 HydrophobicContact CD2-CG 4.33Å; L238-W252 HydrophobicContact CD2-CH2 4.3Å; L238-W252 HydrophobicContact CD2-CZ2 3.83Å; L238-W252 HydrophobicContact CG-CD2 4.36Å; L238-W252 HydrophobicContact CG-CE3 4.33Å; L238-W252 HydrophobicContact CG-CH2 3.96Å; L238-W252 HydrophobicContact CG-CZ2 3.97Å; L238-W252 HydrophobicContact CG-CZ3 4.15Å; E250-W252 PolarHBondContact O-N 3.41Å
253	T	90.2	Very high	72.7	Confident	53 Å²	53	63.2 Å²	63.2	33%	0.325	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.4	177.5	-160.3	0	0	0	0	110.7	F236 A237 V255	F236-T253 CarbonylContact C-O 3.56Å; F236-T253 VanDerWaalsContact CA-O 3.28Å; F236-T253 WeakPolarHBondContact CA-O 3.32Å; A237-T253 PolarHBondContact N-O 2.86Å; A237-T253 PolarHBondContact O-N 3.39Å; T253-V255 PolarHBondContact O-N 3.24Å
254	S	93.7	Very high	74.9	Confident	11 Å²	11	55.4 Å²	55.4	8%	0.077	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	138.2	176.5	162.2	0	0	0	0	110.5	C188 C256	C188-S254 PolarHBondContact SG-OG 3.39Å; C188-S254 VanDerWaalsContact SG-OG 3.41Å; S254-C256 PolarHBondContact O-N 3.26Å; S254-C256 PolarHBondContact OG-N 3.49Å; S254-C256 PolarHBondContact OG-O 3.38Å
255	V	96.3	Very high	77.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	30%	0.298	C	S	.	.	S	Bend	trans	-67.5	-25.4	171.2	-61.7	0	0	0	0	112	I110 E111 F112 F129 C235 A237 T253	I110-V255 CarbonylContact C-O 3.58Å; I110-V255 VanDerWaalsContact CA-O 3.3Å; I110-V255 WeakPolarHBondContact CA-O 3.4Å; I110-V255 HydrophobicContact CG2-CB 3.97Å; I110-V255 HydrophobicContact CG2-CG2 3.8Å; E111-V255 PolarHBondContact N-O 2.86Å; F112-V255 HydrophobicContact CD1-CG1 4.16Å; F129-V255 HydrophobicContact CD2-CG2 4.38Å; C235-V255 WeakPolarHBondContact O-CG2 3.29Å; C235-V255 PolarHBondContact O-N 3.09Å; A237-V255 HydrophobicContact CB-CG1 3.92Å; T253-V255 PolarHBondContact O-N 3.24Å
256	C	96.3	Very high	79.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.014	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-83.8	124.2	173.1	-173.2	0	0	0	0	110	D109 I110 F129 S254 L258	D109-C256 CarbonylContact O-C 3.41Å; D109-C256 WeakPolarHBondContact O-CA 3.35Å; I110-C256 HydrophobicContact CG1-CB 4.5Å; F129-C256 HydrophobicContact CD2-CB 4.38Å; F129-C256 HydrophobicContact CE1-CB 4.22Å; F129-C256 HydrophobicContact CE2-CB 3.62Å; F129-C256 HydrophobicContact CZ-CB 3.52Å; S254-C256 PolarHBondContact O-N 3.26Å; S254-C256 PolarHBondContact OG-N 3.49Å; S254-C256 PolarHBondContact OG-O 3.38Å; C256-L258 VanDerWaalsContact O-CD1 3.3Å; C256-L258 WeakPolarHBondContact O-CD1 3.42Å; C256-L258 PolarHBondContact O-N 2.92Å
257	D	90.6	Very high	82.4	Confident	35 Å²	35	44 Å²	44	19%	0.187	24%	0.236	C	C	.	.			trans	-78.8	103.3	176.6	-179.7	15.3	0	0	0	111	D109 G259 V260 R265	D109-D257 HydrophobicContact CB-CB 4.38Å; D109-D257 PolarHBondContact O-N 3.48Å; D257-G259 PolarHBondContact O-N 2.97Å; D257-G259 WeakPolarHBondContact OD1-CA 3.38Å; D257-G259 PolarHBondContact OD1-N 3.49Å; D257-V260 HydrophobicContact CB-CG1 4.36Å; D257-V260 VanDerWaalsContact O-CG2 3.29Å; D257-V260 WeakPolarHBondContact O-CG2 3.47Å; D257-V260 PolarHBondContact O-N 2.97Å; D257-R265 IonicContact OD2-NH2 2.81Å
258	L	87.9	Confident	84.8	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.047	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70	-13.1	175.6	-74.9	70.8	0	0	0	113	I184 R185 C188 F201 C256 V260 Y261 L460	I184-L258 HydrophobicContact CG2-CD1 4.35Å; I184-L258 HydrophobicContact CG2-CG 4.23Å; R185-L258 HydrophobicContact CB-CD2 3.9Å; R185-L258 HydrophobicContact CG-CD2 4.25Å; C188-L258 HydrophobicContact CB-CD1 4.48Å; F201-L258 HydrophobicContact CE1-CD2 3.97Å; F201-L258 HydrophobicContact CZ-CD1 3.98Å; F201-L258 HydrophobicContact CZ-CD2 3.98Å; C256-L258 VanDerWaalsContact O-CD1 3.3Å; C256-L258 WeakPolarHBondContact O-CD1 3.42Å; C256-L258 PolarHBondContact O-N 2.92Å; L258-V260 PolarHBondContact O-N 3.05Å; L258-V260 VanDerWaalsContact O-N 3.12Å; L258-Y261 HydrophobicContact CB-CD2 4.39Å; L258-Y261 WeakPolarHBondContact O-CD2 3.36Å; L258-Y261 PolarHBondContact O-N 3.49Å; L258-L460 HydrophobicContact CB-CD2 3.53Å; L258-L460 HydrophobicContact CD2-CD2 4.23Å; L258-L460 HydrophobicContact CG-CD2 4.35Å
259	G	83.2	Confident	87	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.7	-15.8	175.5	0	0	0	0	0	113.1	D257 Y261 T262	D257-G259 PolarHBondContact O-N 2.97Å; D257-G259 WeakPolarHBondContact OD1-CA 3.38Å; D257-G259 PolarHBondContact OD1-N 3.49Å; G259-Y261 VanDerWaalsContact C-N 3.28Å; G259-Y261 PolarHBondContact O-N 3.33Å; G259-T262 PolarHBondContact O-OG1 3.32Å
260	V	88.4	Confident	88.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-72	-20.4	176.8	-53.7	0	0	0	0	113.9	Y107 D109 D257 L258 T262 R265	Y107-V260 HydrophobicContact CD2-CG2 4.32Å; Y107-V260 HydrophobicContact CE2-CB 3.84Å; Y107-V260 HydrophobicContact CE2-CG2 3.56Å; Y107-V260 PolarHBondContact OH-O 3.43Å; D109-V260 HydrophobicContact CB-CG1 3.65Å; D257-V260 HydrophobicContact CB-CG1 4.36Å; D257-V260 VanDerWaalsContact O-CG2 3.29Å; D257-V260 WeakPolarHBondContact O-CG2 3.47Å; D257-V260 PolarHBondContact O-N 2.97Å; L258-V260 PolarHBondContact O-N 3.05Å; L258-V260 VanDerWaalsContact O-N 3.12Å; V260-T262 PolarHBondContact O-N 3Å; V260-R265 HydrophobicContact CB-CG 4.31Å; V260-R265 WeakPolarHBondContact O-CB 3.44Å; V260-R265 WeakPolarHBondContact O-CG 3.37Å
261	Y	89.5	Confident	89.9	Confident	3 Å²	3	25.9 Å²	25.9	1%	0.012	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-88.8	31.3	178.2	-48.7	-68	0	0	0	112.3	Y107 L178 Q180 I184 L258 G259 L459	Y107-Y261 HydrophobicContact CD1-CE1 4.47Å; Y107-Y261 HydrophobicContact CE1-CD1 4.26Å; Y107-Y261 HydrophobicContact CE1-CE1 4.05Å; Y107-Y261 HydrophobicContact CE2-CE1 4.45Å; Y107-Y261 WeakPolarHBondContact O-CE1 3.14Å; Y107-Y261 PolarHBondContact O-OH 3.09Å; L178-Y261 WeakPolarHBondContact CD2-O 3.31Å; Q180-Y261 HydrophobicContact CB-CD1 4Å; Q180-Y261 HydrophobicContact CB-CE1 4.05Å; I184-Y261 HydrophobicContact CB-CE2 3.82Å; I184-Y261 HydrophobicContact CG1-CE1 4.42Å; I184-Y261 HydrophobicContact CG1-CE2 3.88Å; I184-Y261 HydrophobicContact CG2-CE2 3.79Å; L258-Y261 HydrophobicContact CB-CD2 4.39Å; L258-Y261 WeakPolarHBondContact O-CD2 3.36Å; L258-Y261 PolarHBondContact O-N 3.49Å; G259-Y261 VanDerWaalsContact C-N 3.28Å; G259-Y261 PolarHBondContact O-N 3.33Å; Y261-L459 WeakPolarHBondContact O-CD1 3.37Å
262	T	80.7	Confident	90.4	Very high	10 Å²	10	23.2 Å²	23.2	6%	0.061	11%	0.105	C	C	.	.	S	Bend	trans	-90.3	162.5	170.1	44.7	0	0	0	0	111.7	N177 G259 V260 N264 P455 D456 L459	N177-T262 PolarHBondContact ND2-O 2.94Å; G259-T262 PolarHBondContact O-OG1 3.32Å; V260-T262 PolarHBondContact O-N 3Å; T262-N264 PolarHBondContact O-N 3.31Å; T262-P455 HydrophobicContact CG2-CB 4.24Å; T262-D456 WeakPolarHBondContact CG2-OD1 3.4Å; T262-D456 PolarHBondContact OG1-OD1 3Å; T262-L459 HydrophobicContact CG2-CD1 3.22Å; T262-L459 HydrophobicContact CG2-CG 4.04Å
263	R	78.6	Confident	90.3	Very high	156 Å²	156	20.2 Å²	20.2	59%	0.589	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	130.9	176	-62.2	-172.1	-178	167.9	0.4	110.9	V100 L178 R265	V100-R263 HydrophobicContact CB-CB 4.39Å; V100-R263 HydrophobicContact CB-CG 4.37Å; V100-R263 HydrophobicContact CG2-CG 4.01Å; L178-R263 HydrophobicContact CD1-CG 4.24Å; L178-R263 HydrophobicContact CD2-CG 4.34Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.5Å
264	N	84.1	Confident	90.1	Very high	26 Å²	26	21.4 Å²	21.4	14%	0.139	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.3	170.7	-52	-29.3	0	0	0	113.1	Q40 I44 V97 I98 V100 T262	Q40-N264 PolarHBondContact NE2-O 2.91Å; I44-N264 HydrophobicContact CD1-CB 4.01Å; V97-N264 HydrophobicContact CG1-CB 4.26Å; I98-N264 WeakPolarHBondContact O-CA 3.45Å; I98-N264 PolarHBondContact O-N 3.44Å; V100-N264 PolarHBondContact N-OD1 2.74Å; V100-N264 VanDerWaalsContact N-OD1 3.11Å; T262-N264 PolarHBondContact O-N 3.31Å
265	R	88.6	Confident	89.2	Confident	62 Å²	62	23.7 Å²	23.7	23%	0.234	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.8	-179.2	-176.2	70.8	178.6	-172.2	-8.3	110.8	I98 D257 V260 R263 D456	I98-R265 PolarHBondContact N-O 2.93Å; D257-R265 IonicContact OD2-NH2 2.81Å; V260-R265 HydrophobicContact CB-CG 4.31Å; V260-R265 WeakPolarHBondContact O-CB 3.44Å; V260-R265 WeakPolarHBondContact O-CG 3.37Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.5Å; R265-D456 IonicContact CZ-OD2 3.68Å; R265-D456 IonicContact NH1-OD1 3.89Å; R265-D456 PolarHBondContact NH1-OD1 3.1Å; R265-D456 IonicContact NH1-OD2 2.91Å; R265-D456 PolarHBondContact NH1-OD2 3.21Å
266	N	91.3	Very high	88	Confident	28 Å²	28	29.3 Å²	29.3	15%	0.15	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.4	171.5	-69.4	-92.1	0	0	0	109.9	Q40 S58 R70 Y95 E96 V97	Q40-N266 PolarHBondContact OE1-ND2 3.15Å; S58-N266 WeakPolarHBondContact CB-OD1 3.33Å; S58-N266 PolarHBondContact OG-OD1 2.74Å; R70-N266 PolarHBondContact NH1-ND2 3.17Å; Y95-N266 HydrophobicContact CD1-CB 4.34Å; Y95-N266 HydrophobicContact CG-CB 4.27Å; E96-N266 CarbonylContact O-C 3.49Å; E96-N266 VanDerWaalsContact O-CA 3.32Å; E96-N266 WeakPolarHBondContact O-CA 3.22Å; V97-N266 WeakPolarHBondContact CG2-OD1 3.45Å
267	F	95.3	Very high	86.7	Confident	5 Å²	5	31 Å²	31	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.5	-180	-167.6	-110.1	0	0	0	110.4	Y95 E96 I98 Y107 D109 H164 I166 L269 V308	Y95-F267 CarbonylContact C-O 3.57Å; Y95-F267 WeakPolarHBondContact CA-O 3.13Å; Y95-F267 WeakPolarHBondContact CB-O 3.29Å; E96-F267 PolarHBondContact N-O 3.49Å; E96-F267 PolarHBondContact O-N 3.4Å; I98-F267 HydrophobicContact CD1-CB 3.55Å; I98-F267 HydrophobicContact CD1-CG 4.09Å; I98-F267 HydrophobicContact CG1-CB 4.07Å; Y107-F267 AromaticContact CD2-CD2 3.88Å; Y107-F267 HydrophobicContact CD2-CD2 3.88Å; Y107-F267 HydrophobicContact CD2-CE1 4.25Å; Y107-F267 AromaticContact CD2-CE2 3.53Å; Y107-F267 HydrophobicContact CD2-CE2 3.53Å; Y107-F267 HydrophobicContact CD2-CG 4.37Å; Y107-F267 AromaticContact CD2-CZ 3.7Å; Y107-F267 HydrophobicContact CD2-CZ 3.7Å; Y107-F267 AromaticContact CE2-CD2 3.89Å; Y107-F267 HydrophobicContact CE2-CD2 3.89Å; Y107-F267 AromaticContact CE2-CE2 3.97Å; Y107-F267 HydrophobicContact CE2-CE2 3.97Å; Y107-F267 HydrophobicContact CE2-CG 4.42Å; Y107-F267 HydrophobicContact CG-CZ 4.48Å; D109-F267 HydrophobicContact CB-CE2 4.25Å; H164-F267 HydrophobicContact CB-CE1 4.34Å; H164-F267 HydrophobicContact CB-CZ 3.73Å; H164-F267 AromaticContact CE1-CE2 3.7Å; H164-F267 AromaticContact CE1-CZ 3.86Å; H164-F267 AromaticContact CG-CE2 3.94Å; H164-F267 AromaticContact CG-CZ 3.55Å; H164-F267 AromaticContact ND1-CE1 3.41Å; H164-F267 WeakPolarHBondContact ND1-CE1 3.26Å; H164-F267 AromaticContact ND1-CE2 3.36Å; H164-F267 WeakPolarHBondContact ND1-CE2 3.49Å; H164-F267 AromaticContact ND1-CZ 3.04Å; H164-F267 WeakPolarHBondContact ND1-CZ 3.28Å; I166-F267 HydrophobicContact CD1-CE1 4.27Å; I166-F267 HydrophobicContact CG1-CE1 4.45Å; F267-L269 PolarHBondContact O-N 2.94Å; F267-V308 HydrophobicContact CD1-CG2 3.63Å; F267-V308 HydrophobicContact CE1-CG2 3.79Å; F267-V308 HydrophobicContact CG-CG2 4.34Å
268	R	95.6	Very high	85.8	Confident	15 Å²	15	34.7 Å²	34.7	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.1	-169.1	-177.1	172.1	48.9	170.9	-9.3	111.1	Y95 A155 L281	Y95-R268 VanDerWaalsContact CD1-CA 3.42Å; Y95-R268 HydrophobicContact CD1-CB 3.76Å; Y95-R268 HydrophobicContact CD1-CG 4.45Å; Y95-R268 HydrophobicContact CE1-CB 3.72Å; Y95-R268 HydrophobicContact CE1-CG 4.18Å; A155-R268 VanDerWaalsContact CB-CZ 3.49Å; R268-L281 HydrophobicContact CB-CD2 4.21Å; R268-L281 HydrophobicContact CG-CD2 4.18Å; R268-L281 VanDerWaalsContact O-CD2 3.28Å; R268-L281 WeakPolarHBondContact O-CD2 3.48Å
269	L	96.9	Very high	85.6	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-73.3	151.5	-179.9	-62	-176.1	0	0	0	112.5	F57 F80 H94 E96 F267 G271 S272 W303 L307	F57-L269 HydrophobicContact CD1-CD1 3.73Å; F57-L269 HydrophobicContact CD1-CD2 4.15Å; F57-L269 HydrophobicContact CD1-CG 4.48Å; F57-L269 HydrophobicContact CE1-CD1 4.1Å; F57-L269 HydrophobicContact CE1-CD2 4.15Å; F80-L269 HydrophobicContact CE1-CD1 3.63Å; F80-L269 HydrophobicContact CZ-CD1 3.59Å; H94-L269 HydrophobicContact CB-CD1 3.58Å; H94-L269 HydrophobicContact CB-CG 4.21Å; H94-L269 PolarHBondContact O-N 3.31Å; H94-L269 VanDerWaalsContact O-N 3.08Å; E96-L269 HydrophobicContact CB-CD2 3.73Å; F267-L269 PolarHBondContact O-N 2.94Å; L269-G271 PolarHBondContact O-N 3.05Å; L269-S272 VanDerWaalsContact O-CB 3.29Å; L269-S272 WeakPolarHBondContact O-CB 3.36Å; L269-S272 PolarHBondContact O-N 2.85Å; L269-W303 HydrophobicContact CB-CZ2 4.33Å; L269-W303 HydrophobicContact CD1-CH2 4.16Å; L269-W303 HydrophobicContact CD1-CZ2 3.96Å; L269-W303 HydrophobicContact CD2-CZ2 4.42Å; L269-W303 HydrophobicContact CG-CZ2 4.48Å; L269-L307 HydrophobicContact CD2-CD2 3.44Å; L269-L307 VanDerWaalsContact CD2-CD2 3.44Å
270	A	96.3	Very high	85.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	130.7	168.6	0	0	0	0	0	110.7	Y84 L153 L281 W297 W303 T306	Y84-A270 PolarHBondContact OH-O 3.22Å; L153-A270 HydrophobicContact CD1-CB 3.75Å; L153-A270 HydrophobicContact CD2-CB 4.17Å; A270-L281 CarbonylContact C-O 3.53Å; A270-W297 HydrophobicContact CB-CH2 3.73Å; A270-W297 HydrophobicContact CB-CZ2 3.46Å; A270-W297 VanDerWaalsContact CB-CZ2 3.46Å; A270-W303 PolarHBondContact O-NE1 2.98Å; A270-T306 HydrophobicContact CB-CG2 3.77Å; A270-T306 VanDerWaalsContact CB-OG1 3.28Å; A270-T306 WeakPolarHBondContact CB-OG1 3.5Å
271	G	93.4	Very high	86.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	3.3	-170.8	0	0	0	0	0	114.3	Y84 R92 L269 L280 L281	Y84-G271 PolarHBondContact OH-O 3.12Å; R92-G271 WeakPolarHBondContact CB-O 3.45Å; R92-G271 WeakPolarHBondContact CD-O 3.33Å; L269-G271 PolarHBondContact O-N 3.05Å; G271-L280 WeakPolarHBondContact O-CD2 3.41Å; G271-L281 PolarHBondContact N-O 3.37Å
272	S	92.6	Very high	86.4	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.			trans	-103.4	144.9	179.4	-95.6	0	0	0	0	113.6	Y84 R92 H94 L269 L281	Y84-S272 WeakPolarHBondContact OH-CA 3.44Å; Y84-S272 VanDerWaalsContact OH-CB 3.32Å; Y84-S272 WeakPolarHBondContact OH-CB 3.39Å; Y84-S272 PolarHBondContact OH-N 3.04Å; Y84-S272 VanDerWaalsContact OH-N 3.08Å; Y84-S272 PolarHBondContact OH-OG 2.77Å; R92-S272 VanDerWaalsContact C-OG 3.23Å; R92-S272 CarbonylContact O-C 3.43Å; R92-S272 WeakPolarHBondContact O-CA 3.33Å; R92-S272 WeakPolarHBondContact O-CB 3.47Å; R92-S272 PolarHBondContact O-OG 3.46Å; H94-S272 PolarHBondContact N-OG 3.37Å; H94-S272 WeakPolarHBondContact O-CB 3.32Å; H94-S272 PolarHBondContact O-OG 3.48Å; L269-S272 VanDerWaalsContact O-CB 3.29Å; L269-S272 WeakPolarHBondContact O-CB 3.36Å; L269-S272 PolarHBondContact O-N 2.85Å; S272-L281 PolarHBondContact O-N 3.49Å
273	C	87.6	Confident	87.1	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.02	22%	0.217	C	C	.	.			trans	-104.1	173.7	170.4	67.1	0	0	0	0	111.1	R92 G277 G279 L280	R92-C273 PolarHBondContact O-N 3.18Å; C273-G277 WeakPolarHBondContact CB-O 3.44Å; C273-G279 WeakPolarHBondContact CA-O 3.27Å; C273-G279 WeakPolarHBondContact CB-O 3.35Å; C273-L280 HydrophobicContact CB-CD2 4.08Å
274	K	85.1	Confident	87.6	Confident	79 Å²	79	35.3 Å²	35.3	34%	0.343	21%	0.207	S	C	.	.			trans	-81.7	154.8	168	-65.5	-169.2	177.4	-167.8	0	108.9	S276 G277	K274-S276 PolarHBondContact O-N 2.92Å; K274-G277 PolarHBondContact O-N 2.97Å; K274-G277 VanDerWaalsContact O-N 3.11Å
275	L	75.3	Confident	87.6	Confident	59 Å²	59	40.6 Å²	40.6	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.2	175.8	-171.6	67.4	0	0	0	112.3	E60 L62	E60-L275 HydrophobicContact CB-CD2 4.1Å; L62-L275 HydrophobicContact CD2-CD2 4.45Å; L62-L275 HydrophobicContact CG-CD1 4.27Å
276	S	70.6	Confident	87.3	Confident	119 Å²	119	37.8 Å²	37.8	83%	0.832	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	5.2	-179.5	57.3	0	0	0	0	114.9	K274	K274-S276 PolarHBondContact O-N 2.92Å
277	G	69.4	Low	86.2	Confident	36 Å²	36	39.5 Å²	39.5	37%	0.371	22%	0.224	S	C	.	.			trans	-152.8	157.4	-174.4	0	0	0	0	0	114.1	C273 K274	C273-G277 WeakPolarHBondContact CB-O 3.44Å; K274-G277 PolarHBondContact O-N 2.97Å; K274-G277 VanDerWaalsContact O-N 3.11Å
278	S	71.7	Confident	84.6	Confident	114 Å²	114	46.3 Å²	46.3	80%	0.797	26%	0.261	S	S	*	.			trans	-92.3	-7.5	179.8	52.2	0	0	0	0	114.1	L280	S278-L280 PolarHBondContact O-N 3.49Å
279	G	82.4	Confident	82.9	Confident	24 Å²	24	50.1 Å²	50.1	25%	0.247	28%	0.283	C	S	.	.			trans	-65.2	100.2	-177.8	0	0	0	0	0	112	C273	C273-G279 WeakPolarHBondContact CA-O 3.27Å; C273-G279 WeakPolarHBondContact CB-O 3.35Å
280	L	90.1	Very high	81.2	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.257	32%	0.322	S	S	.	.			trans	-70	137.9	172.7	-63.1	170.1	0	0	0	109.5	P89 G271 C273 S278 L282	P89-L280 HydrophobicContact CB-CD1 3.8Å; P89-L280 HydrophobicContact CB-CD2 3.92Å; P89-L280 HydrophobicContact CB-CG 4.47Å; G271-L280 WeakPolarHBondContact O-CD2 3.41Å; C273-L280 HydrophobicContact CB-CD2 4.08Å; S278-L280 PolarHBondContact O-N 3.49Å; L280-L282 HydrophobicContact CB-CD1 4.13Å; L280-L282 HydrophobicContact CB-CD2 4.31Å; L280-L282 HydrophobicContact CB-CG 3.89Å; L280-L282 HydrophobicContact CD1-CD1 4.47Å; L280-L282 PolarHBondContact O-N 3.39Å
281	L	94.4	Very high	79.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.341	C	S	.	.			trans	-80.3	103.6	172	-175.3	65.4	0	0	0	109.4	L153 A155 H164 R268 A270 G271 S272	L153-L281 HydrophobicContact CB-CD1 3.6Å; L153-L281 HydrophobicContact CB-CD2 4.32Å; L153-L281 HydrophobicContact CB-CG 3.72Å; L153-L281 HydrophobicContact CD1-CD2 3.99Å; L153-L281 HydrophobicContact CD1-CG 4.1Å; A155-L281 HydrophobicContact CB-CB 4.28Å; A155-L281 HydrophobicContact CB-CD1 3.72Å; H164-L281 HydrophobicContact CB-CD1 4.37Å; H164-L281 HydrophobicContact CB-CD2 4.47Å; R268-L281 HydrophobicContact CB-CD2 4.21Å; R268-L281 HydrophobicContact CG-CD2 4.18Å; R268-L281 VanDerWaalsContact O-CD2 3.28Å; R268-L281 WeakPolarHBondContact O-CD2 3.48Å; A270-L281 CarbonylContact C-O 3.53Å; G271-L281 PolarHBondContact N-O 3.37Å; S272-L281 PolarHBondContact O-N 3.49Å
282	L	94.9	Very high	79.1	Confident	30 Å²	30	67.4 Å²	67.4	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.3	-174.5	-63.7	177	0	0	0	110.8	L153 D154 L280 K284 I287 I296 W297	L153-L282 CarbonylContact C-O 3.58Å; L153-L282 VanDerWaalsContact CA-O 3.29Å; L153-L282 WeakPolarHBondContact CA-O 3.5Å; D154-L282 PolarHBondContact N-O 3.19Å; D154-L282 PolarHBondContact O-N 3.05Å; L280-L282 HydrophobicContact CB-CD1 4.13Å; L280-L282 HydrophobicContact CB-CD2 4.31Å; L280-L282 HydrophobicContact CB-CG 3.89Å; L280-L282 HydrophobicContact CD1-CD1 4.47Å; L280-L282 PolarHBondContact O-N 3.39Å; L282-K284 PolarHBondContact O-N 3.36Å; L282-I287 HydrophobicContact CB-CG1 4.22Å; L282-I296 HydrophobicContact CD2-CD1 4.15Å; L282-W297 HydrophobicContact CD2-CH2 3.96Å; L282-W297 HydrophobicContact CD2-CZ3 4.1Å
283	P	94.4	Very high	78.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	138.3	172	-24.3	35.4	0	0	0	110.7	L153 Y285 A286 I296 W297	L153-P283 HydrophobicContact CD2-CB 4.35Å; L153-P283 HydrophobicContact CD2-CG 3.88Å; P283-Y285 HydrophobicContact CB-CD1 3.82Å; P283-Y285 HydrophobicContact CB-CE1 3.33Å; P283-Y285 HydrophobicContact CB-CE2 4.13Å; P283-Y285 HydrophobicContact CB-CG 4.4Å; P283-Y285 HydrophobicContact CG-CE1 4.29Å; P283-Y285 PolarHBondContact O-N 2.95Å; P283-Y285 VanDerWaalsContact O-N 3.09Å; P283-A286 HydrophobicContact CB-CB 4.34Å; P283-A286 WeakPolarHBondContact O-CA 3.42Å; P283-A286 WeakPolarHBondContact O-CB 3.32Å; P283-A286 PolarHBondContact O-N 2.78Å; P283-I296 HydrophobicContact CG-CG2 3.6Å; P283-W297 HydrophobicContact CG-CH2 4.33Å; P283-W297 HydrophobicContact CG-CZ2 3.8Å
284	K	90.5	Very high	78.5	Confident	88 Å²	88	71.7 Å²	71.7	38%	0.383	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-50.2	-39.8	-176	-179.7	-179.3	164.7	-172.2	0	113.1	E123 I152 L282 A286	E123-K284 VanDerWaalsContact CD-CE 3.44Å; E123-K284 WeakPolarHBondContact OE1-CE 3.44Å; E123-K284 IonicContact OE1-NZ 2.8Å; E123-K284 PolarHBondContact OE1-NZ 2.8Å; E123-K284 WeakPolarHBondContact OE2-CE 3.09Å; E123-K284 IonicContact OE2-NZ 3.41Å; E123-K284 PolarHBondContact OE2-NZ 2.91Å; I152-K284 HydrophobicContact CG2-CB 4.47Å; I152-K284 PolarHBondContact O-N 3.18Å; I152-K284 VanDerWaalsContact O-N 3.11Å; L282-K284 PolarHBondContact O-N 3.36Å; K284-A286 VanDerWaalsContact C-N 3.26Å; K284-A286 PolarHBondContact O-N 2.95Å
285	Y	83.4	Confident	78.5	Confident	138 Å²	138	72.3 Å²	72.3	54%	0.541	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-71.7	-11.5	178.2	63.4	-98.3	0	0	0	114.9	P283 N289	P283-Y285 HydrophobicContact CB-CD1 3.82Å; P283-Y285 HydrophobicContact CB-CE1 3.33Å; P283-Y285 HydrophobicContact CB-CE2 4.13Å; P283-Y285 HydrophobicContact CB-CG 4.4Å; P283-Y285 HydrophobicContact CG-CE1 4.29Å; P283-Y285 PolarHBondContact O-N 2.95Å; P283-Y285 VanDerWaalsContact O-N 3.09Å; Y285-N289 PolarHBondContact O-ND2 3.36Å
286	A	82.9	Confident	79.2	Confident	2 Å²	2	70.4 Å²	70.4	2%	0.017	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-96.7	-20.3	-175.7	0	0	0	0	0	113.4	P283 K284 N288 N289 I296	P283-A286 HydrophobicContact CB-CB 4.34Å; P283-A286 WeakPolarHBondContact O-CA 3.42Å; P283-A286 WeakPolarHBondContact O-CB 3.32Å; P283-A286 PolarHBondContact O-N 2.78Å; K284-A286 VanDerWaalsContact C-N 3.26Å; K284-A286 PolarHBondContact O-N 2.95Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 2.93Å; A286-N289 PolarHBondContact O-N 2.78Å; A286-N289 VanDerWaalsContact O-N 3.15Å; A286-I296 HydrophobicContact CB-CD1 3.73Å; A286-I296 HydrophobicContact CB-CG1 4.15Å
287	I	66.8	Low	80.3	Confident	64 Å²	64	65.2 Å²	65.2	33%	0.328	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-59.5	-40.8	-171.1	-69.5	177.7	0	0	0	112.5	D154 L282 N289	D154-I287 HydrophobicContact CB-CD1 3.42Å; D154-I287 VanDerWaalsContact CB-CD1 3.42Å; D154-I287 VanDerWaalsContact OD1-CD1 3.23Å; D154-I287 WeakPolarHBondContact OD1-CD1 2.97Å; L282-I287 HydrophobicContact CB-CG1 4.22Å; I287-N289 VanDerWaalsContact C-N 3.34Å; I287-N289 PolarHBondContact O-N 2.8Å
288	N	62.8	Low	81.3	Confident	148 Å²	148	68 Å²	68	79%	0.791	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-85.7	-6.3	-176.5	-64.4	-18.8	0	0	0	113.9	A286	A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 2.93Å
289	N	60.4	Low	82.3	Confident	96 Å²	96	65.9 Å²	65.9	51%	0.513	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-105.1	5	-167.2	-73.3	-36.2	0	0	0	113.7	Y285 A286 I287 K291	Y285-N289 PolarHBondContact O-ND2 3.36Å; A286-N289 PolarHBondContact O-N 2.78Å; A286-N289 VanDerWaalsContact O-N 3.15Å; I287-N289 VanDerWaalsContact C-N 3.34Å; I287-N289 PolarHBondContact O-N 2.8Å; N289-K291 HydrophobicContact CB-CD 4.22Å; N289-K291 HydrophobicContact CB-CG 3.69Å; N289-K291 PolarHBondContact O-N 2.95Å
290	N	61.1	Low	82.8	Confident	155 Å²	155	67.4 Å²	67.4	83%	0.829	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	32.2	-174.4	-75.5	-21.2	0	0	0	112.9	I292	N290-I292 PolarHBondContact O-N 3.22Å
291	K	68.3	Low	83	Confident	94 Å²	94	71.8 Å²	71.8	41%	0.409	37%	0.367	S	S	.	.			trans	-64.9	131.4	-173.4	-73	-171.7	178.8	-172.1	0	109.3	N289 I296	N289-K291 HydrophobicContact CB-CD 4.22Å; N289-K291 HydrophobicContact CB-CG 3.69Å; N289-K291 PolarHBondContact O-N 2.95Å; K291-I296 HydrophobicContact CB-CD1 4.03Å; K291-I296 HydrophobicContact CB-CG1 3.71Å; K291-I296 HydrophobicContact CD-CG1 4.47Å
292	I	75.8	Confident	83	Confident	118 Å²	118	73.4 Å²	73.4	61%	0.605	38%	0.378	S	S	*	.			trans	-65.2	141.9	173.6	-55.2	172	0	0	0	107.9	N290 S294 C295 I296	N290-I292 PolarHBondContact O-N 3.22Å; I292-S294 PolarHBondContact O-N 3.16Å; I292-S294 VanDerWaalsContact O-N 3.09Å; I292-C295 WeakPolarHBondContact O-CA 3.37Å; I292-C295 WeakPolarHBondContact O-CB 3.45Å; I292-C295 PolarHBondContact O-N 3.39Å; I292-I296 PolarHBondContact O-N 2.8Å
293	F	84.1	Confident	83	Confident	20 Å²	20	72 Å²	72	9%	0.088	37%	0.37	C	S	.	.	H	α-helix	trans	-47.5	-42	-178.3	-177.8	-90.9	0	0	0	113.3	F81 Y84 K85 C295 I296 W297 W303	F81-F293 HydrophobicContact CD2-CE1 4.45Å; F81-F293 AromaticContact CE2-CE1 3.55Å; F81-F293 HydrophobicContact CE2-CE1 3.55Å; F81-F293 AromaticContact CE2-CZ 3.84Å; F81-F293 HydrophobicContact CE2-CZ 3.84Å; F81-F293 AromaticContact CZ-CE1 3.99Å; F81-F293 HydrophobicContact CZ-CE1 3.99Å; Y84-F293 HydrophobicContact CD1-CE2 4.36Å; Y84-F293 AromaticContact CD1-CZ 3.86Å; Y84-F293 HydrophobicContact CD1-CZ 3.86Å; Y84-F293 AromaticContact CE1-CE2 3.9Å; Y84-F293 HydrophobicContact CE1-CE2 3.9Å; Y84-F293 AromaticContact CE1-CZ 3.83Å; Y84-F293 HydrophobicContact CE1-CZ 3.83Å; K85-F293 HydrophobicContact CB-CD1 3.92Å; K85-F293 HydrophobicContact CB-CE1 3.64Å; F293-C295 VanDerWaalsContact C-N 3.29Å; F293-C295 PolarHBondContact O-N 2.84Å; F293-I296 PolarHBondContact O-N 2.81Å; F293-W297 HydrophobicContact CD1-CE3 4.36Å; F293-W297 AromaticContact CD2-CE3 3.4Å; F293-W297 HydrophobicContact CD2-CE3 3.4Å; F293-W297 VanDerWaalsContact CD2-CE3 3.4Å; F293-W297 AromaticContact CD2-CZ3 3.33Å; F293-W297 HydrophobicContact CD2-CZ3 3.33Å; F293-W297 HydrophobicContact CE1-CE3 4.25Å; F293-W297 HydrophobicContact CE2-CD2 4.35Å; F293-W297 AromaticContact CE2-CE3 3.28Å; F293-W297 HydrophobicContact CE2-CE3 3.28Å; F293-W297 HydrophobicContact CE2-CH2 4.39Å; F293-W297 AromaticContact CE2-CZ3 3.32Å; F293-W297 HydrophobicContact CE2-CZ3 3.32Å; F293-W297 AromaticContact CG-CE3 3.97Å; F293-W297 HydrophobicContact CG-CE3 3.97Å; F293-W297 HydrophobicContact CG-CZ3 4.26Å; F293-W297 AromaticContact CZ-CE3 3.74Å; F293-W297 HydrophobicContact CZ-CE3 3.74Å; F293-W297 HydrophobicContact CZ-CZ3 4.22Å; F293-W297 PolarHBondContact O-N 2.82Å; F293-W303 AromaticContact CZ-CD1 3.78Å; F293-W303 AromaticContact CZ-NE1 3.96Å
294	S	83.9	Confident	83.1	Confident	72 Å²	72	72 Å²	72	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-22.4	178.2	52	0	0	0	0	114.5	I292 W297 S298	I292-S294 PolarHBondContact O-N 3.16Å; I292-S294 VanDerWaalsContact O-N 3.09Å; S294-W297 CarbonylContact O-C 3.41Å; S294-S298 WeakPolarHBondContact O-CA 3.42Å; S294-S298 PolarHBondContact O-N 3.17Å
295	C	86.1	Confident	83.3	Confident	92 Å²	92	72.5 Å²	72.5	62%	0.622	37%	0.37	S	S	*	.	H	α-helix	trans	-83.1	-21.8	174.1	-57.9	0	0	0	0	112	I292 F293	I292-C295 WeakPolarHBondContact O-CA 3.37Å; I292-C295 WeakPolarHBondContact O-CB 3.45Å; I292-C295 PolarHBondContact O-N 3.39Å; F293-C295 VanDerWaalsContact C-N 3.29Å; F293-C295 PolarHBondContact O-N 2.84Å
296	I	90.3	Very high	84	Confident	20 Å²	20	66.1 Å²	66.1	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-83.2	-46.4	174.8	-56.6	173.9	0	0	0	109.4	L282 P283 A286 K291 I292 F293	L282-I296 HydrophobicContact CD2-CD1 4.15Å; P283-I296 HydrophobicContact CG-CG2 3.6Å; A286-I296 HydrophobicContact CB-CD1 3.73Å; A286-I296 HydrophobicContact CB-CG1 4.15Å; K291-I296 HydrophobicContact CB-CD1 4.03Å; K291-I296 HydrophobicContact CB-CG1 3.71Å; K291-I296 HydrophobicContact CD-CG1 4.47Å; I292-I296 PolarHBondContact O-N 2.8Å; F293-I296 PolarHBondContact O-N 2.81Å
297	W	93.3	Very high	84.6	Confident	10 Å²	10	66 Å²	66	4%	0.038	34%	0.344	C	S	.	.			trans	-124.3	96.1	178.9	-58.3	-71.6	0	0	0	109.6	F81 L153 A270 L282 P283 F293 S294 D299 S302 W303 T306	F81-W297 HydrophobicContact CE2-CB 4.48Å; F81-W297 HydrophobicContact CZ-CB 4.46Å; L153-W297 HydrophobicContact CD2-CZ2 4.47Å; A270-W297 HydrophobicContact CB-CH2 3.73Å; A270-W297 HydrophobicContact CB-CZ2 3.46Å; A270-W297 VanDerWaalsContact CB-CZ2 3.46Å; L282-W297 HydrophobicContact CD2-CH2 3.96Å; L282-W297 HydrophobicContact CD2-CZ3 4.1Å; P283-W297 HydrophobicContact CG-CH2 4.33Å; P283-W297 HydrophobicContact CG-CZ2 3.8Å; F293-W297 HydrophobicContact CD1-CE3 4.36Å; F293-W297 AromaticContact CD2-CE3 3.4Å; F293-W297 HydrophobicContact CD2-CE3 3.4Å; F293-W297 VanDerWaalsContact CD2-CE3 3.4Å; F293-W297 AromaticContact CD2-CZ3 3.33Å; F293-W297 HydrophobicContact CD2-CZ3 3.33Å; F293-W297 HydrophobicContact CE1-CE3 4.25Å; F293-W297 HydrophobicContact CE2-CD2 4.35Å; F293-W297 AromaticContact CE2-CE3 3.28Å; F293-W297 HydrophobicContact CE2-CE3 3.28Å; F293-W297 HydrophobicContact CE2-CH2 4.39Å; F293-W297 AromaticContact CE2-CZ3 3.32Å; F293-W297 HydrophobicContact CE2-CZ3 3.32Å; F293-W297 AromaticContact CG-CE3 3.97Å; F293-W297 HydrophobicContact CG-CE3 3.97Å; F293-W297 HydrophobicContact CG-CZ3 4.26Å; F293-W297 AromaticContact CZ-CE3 3.74Å; F293-W297 HydrophobicContact CZ-CE3 3.74Å; F293-W297 HydrophobicContact CZ-CZ3 4.22Å; F293-W297 PolarHBondContact O-N 2.82Å; S294-W297 CarbonylContact O-C 3.41Å; W297-D299 PolarHBondContact O-N 2.75Å; W297-S302 WeakPolarHBondContact CA-OG 3.41Å; W297-W303 HydrophobicContact CB-CB 3.92Å; W297-W303 VanDerWaalsContact CD1-CA 3.45Å; W297-W303 AromaticContact CD2-CD1 3.83Å; W297-W303 HydrophobicContact CG-CB 3.85Å; W297-W303 AromaticContact CG-CD1 4Å; W297-W303 HydrophobicContact CG-CG 4.36Å; W297-T306 HydrophobicContact CZ2-CG2 4.27Å
298	S	90.6	Very high	86	Confident	95 Å²	95	63 Å²	63	66%	0.664	33%	0.329	S	S	*	.	S	Bend	trans	-63	-33.2	-178.9	47.7	0	0	0	0	112.6	S294 S302	S294-S298 WeakPolarHBondContact O-CA 3.42Å; S294-S298 PolarHBondContact O-N 3.17Å; S298-S302 PolarHBondContact N-OG 3.27Å
299	D	92.7	Very high	87.5	Confident	68 Å²	68	56.4 Å²	56.4	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-145	171.3	-175.7	61.7	64.3	0	0	0	112	W297 R301 S302 W303	W297-D299 PolarHBondContact O-N 2.75Å; D299-R301 VanDerWaalsContact C-N 3.28Å; D299-R301 PolarHBondContact O-N 3.36Å; D299-R301 WeakPolarHBondContact OD1-CA 3.44Å; D299-R301 WeakPolarHBondContact OD1-CB 3.42Å; D299-R301 PolarHBondContact OD1-N 3.12Å; D299-S302 PolarHBondContact N-OG 2.94Å; D299-S302 PolarHBondContact O-N 3.42Å; D299-S302 PolarHBondContact O-OG 2.81Å; D299-S302 PolarHBondContact OD1-N 2.93Å; D299-W303 PolarHBondContact O-N 3.3Å
300	W	92.5	Very high	89.1	Confident	57 Å²	57	53.1 Å²	53.1	22%	0.216	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-28.7	-177.5	71.8	-95	0	0	0	113.1	I77 Q78 F81 A304 Y310	I77-W300 HydrophobicContact CG2-CE3 3.86Å; I77-W300 HydrophobicContact CG2-CZ3 4.27Å; Q78-W300 HydrophobicContact CB-CD2 4.5Å; Q78-W300 HydrophobicContact CB-CG 4.42Å; Q78-W300 HydrophobicContact CG-CD2 3.5Å; Q78-W300 VanDerWaalsContact CG-CE2 3.44Å; Q78-W300 HydrophobicContact CG-CE3 3.93Å; Q78-W300 HydrophobicContact CG-CG 3.86Å; Q78-W300 HydrophobicContact CG-CH2 4.22Å; Q78-W300 HydrophobicContact CG-CZ2 3.82Å; Q78-W300 HydrophobicContact CG-CZ3 4.27Å; Q78-W300 VanDerWaalsContact NE2-CH2 3.29Å; F81-W300 HydrophobicContact CB-CB 3.94Å; F81-W300 VanDerWaalsContact CD1-CA 3.5Å; F81-W300 HydrophobicContact CD1-CB 3.45Å; F81-W300 VanDerWaalsContact CD1-CB 3.45Å; F81-W300 HydrophobicContact CE1-CB 4.08Å; F81-W300 HydrophobicContact CG-CB 3.77Å; W300-A304 HydrophobicContact CE3-CB 4.2Å; W300-A304 HydrophobicContact CZ3-CB 4.4Å; W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 2.77Å; W300-Y310 HydrophobicContact CZ3-CE2 4.07Å
301	R	93.4	Very high	90.3	Very high	141 Å²	141	47.9 Å²	47.9	53%	0.532	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-45.6	-179.7	-68.7	-171	179.6	106.3	-3.7	110.4	D299 W303 A304 R305	D299-R301 VanDerWaalsContact C-N 3.28Å; D299-R301 PolarHBondContact O-N 3.36Å; D299-R301 WeakPolarHBondContact OD1-CA 3.44Å; D299-R301 WeakPolarHBondContact OD1-CB 3.42Å; D299-R301 PolarHBondContact OD1-N 3.12Å; R301-W303 PolarHBondContact O-N 2.57Å; R301-A304 PolarHBondContact O-N 2.74Å; R301-A304 VanDerWaalsContact O-N 3.08Å; R301-R305 PolarHBondContact O-N 3.25Å; R301-R305 VanDerWaalsContact O-N 3.15Å
302	S	94.7	Very high	90.9	Very high	33 Å²	33	47 Å²	47	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-38.5	175.5	72.7	0	0	0	0	111.8	W297 S298 D299	W297-S302 WeakPolarHBondContact CA-OG 3.41Å; S298-S302 PolarHBondContact N-OG 3.27Å; D299-S302 PolarHBondContact N-OG 2.94Å; D299-S302 PolarHBondContact O-N 3.42Å; D299-S302 PolarHBondContact O-OG 2.81Å; D299-S302 PolarHBondContact OD1-N 2.93Å
303	W	96.1	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.3	-38.8	173.9	-179.4	82.1	0	0	0	112.8	F57 I77 F80 F81 Y84 L269 A270 F293 W297 D299 R301 R305 T306 L307	F57-W303 HydrophobicContact CE1-CH2 4.26Å; I77-W303 HydrophobicContact CG2-CZ3 4.29Å; F80-W303 AromaticContact CD1-CH2 3.52Å; F80-W303 HydrophobicContact CD1-CH2 3.52Å; F80-W303 HydrophobicContact CD1-CZ2 4.36Å; F80-W303 AromaticContact CD1-CZ3 4Å; F80-W303 HydrophobicContact CD1-CZ3 4Å; F80-W303 AromaticContact CE1-CH2 3.48Å; F80-W303 HydrophobicContact CE1-CH2 3.48Å; F80-W303 VanDerWaalsContact CE1-CH2 3.48Å; F80-W303 AromaticContact CE1-CZ2 3.94Å; F80-W303 HydrophobicContact CE1-CZ2 3.94Å; F80-W303 HydrophobicContact CE1-CZ3 4.39Å; F81-W303 HydrophobicContact CB-CE3 4.19Å; F81-W303 HydrophobicContact CB-CZ3 4.42Å; F81-W303 HydrophobicContact CD2-CB 3.7Å; F81-W303 AromaticContact CD2-CD2 3.54Å; F81-W303 HydrophobicContact CD2-CD2 3.54Å; F81-W303 AromaticContact CD2-CE3 3.67Å; F81-W303 HydrophobicContact CD2-CE3 3.67Å; F81-W303 AromaticContact CD2-CG 3.56Å; F81-W303 HydrophobicContact CD2-CG 3.56Å; F81-W303 HydrophobicContact CD2-CZ3 4.49Å; F81-W303 HydrophobicContact CE2-CB 3.37Å; F81-W303 HydrophobicContact CE2-CD2 4.03Å; F81-W303 AromaticContact CE2-CG 3.5Å; F81-W303 HydrophobicContact CE2-CG 3.5Å; F81-W303 HydrophobicContact CG-CE3 4.32Å; F81-W303 HydrophobicContact CZ-CB 4.2Å; Y84-W303 HydrophobicContact CD1-CZ2 4.15Å; Y84-W303 HydrophobicContact CE1-CZ2 4.08Å; Y84-W303 AromaticContact CE1-NE1 3.92Å; L269-W303 HydrophobicContact CB-CZ2 4.33Å; L269-W303 HydrophobicContact CD1-CH2 4.16Å; L269-W303 HydrophobicContact CD1-CZ2 3.96Å; L269-W303 HydrophobicContact CD2-CZ2 4.42Å; L269-W303 HydrophobicContact CG-CZ2 4.48Å; A270-W303 PolarHBondContact O-NE1 2.98Å; F293-W303 AromaticContact CZ-CD1 3.78Å; F293-W303 AromaticContact CZ-NE1 3.96Å; W297-W303 HydrophobicContact CB-CB 3.92Å; W297-W303 VanDerWaalsContact CD1-CA 3.45Å; W297-W303 AromaticContact CD2-CD1 3.83Å; W297-W303 HydrophobicContact CG-CB 3.85Å; W297-W303 AromaticContact CG-CD1 4Å; W297-W303 HydrophobicContact CG-CG 4.36Å; D299-W303 PolarHBondContact O-N 3.3Å; R301-W303 PolarHBondContact O-N 2.57Å; W303-R305 PolarHBondContact O-N 3.4Å; W303-R305 VanDerWaalsContact O-N 3.17Å; W303-T306 WeakPolarHBondContact O-CB 3.27Å; W303-T306 WeakPolarHBondContact O-CG2 3.39Å; W303-T306 PolarHBondContact O-N 2.75Å; W303-T306 PolarHBondContact O-OG1 2.8Å; W303-L307 HydrophobicContact CH2-CD1 4.3Å; W303-L307 HydrophobicContact CH2-CD2 3.85Å; W303-L307 HydrophobicContact CH2-CG 4.37Å; W303-L307 HydrophobicContact CZ2-CD2 4.34Å; W303-L307 HydrophobicContact CZ3-CD1 3.86Å; W303-L307 HydrophobicContact CZ3-CD2 4.2Å; W303-L307 HydrophobicContact CZ3-CG 4.22Å
304	A	95.6	Very high	90.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-26.1	179.7	0	0	0	0	0	112.7	I77 W300 R301 T306 L307 Y310	I77-A304 HydrophobicContact CG2-CB 3.9Å; W300-A304 HydrophobicContact CE3-CB 4.2Å; W300-A304 HydrophobicContact CZ3-CB 4.4Å; W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 2.77Å; R301-A304 PolarHBondContact O-N 2.74Å; R301-A304 VanDerWaalsContact O-N 3.08Å; A304-T306 PolarHBondContact O-N 2.87Å; A304-T306 VanDerWaalsContact O-N 3.08Å; A304-L307 HydrophobicContact CB-CD1 4.44Å; A304-L307 WeakPolarHBondContact O-CB 3.2Å; A304-L307 PolarHBondContact O-N 2.75Å; A304-Y310 VanDerWaalsContact C-CD1 3.45Å; A304-Y310 HydrophobicContact CB-CD1 3.58Å; A304-Y310 HydrophobicContact CB-CD2 4.01Å; A304-Y310 HydrophobicContact CB-CE1 3.68Å; A304-Y310 HydrophobicContact CB-CE2 4.06Å; A304-Y310 HydrophobicContact CB-CG 3.74Å; A304-Y310 WeakPolarHBondContact O-CB 3.41Å; A304-Y310 VanDerWaalsContact O-CD1 3.26Å; A304-Y310 WeakPolarHBondContact O-CD1 3.2Å
305	R	95.2	Very high	89.4	Confident	99 Å²	99	53.8 Å²	53.8	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.4	169.8	-66.2	178.4	71.4	85.3	0.1	113.3	K105 N168 R301 W303 D312	K105-R305 PolarHBondContact NZ-O 2.88Å; N168-R305 PolarHBondContact ND2-O 3.41Å; N168-R305 PolarHBondContact OD1-O 3.02Å; R301-R305 PolarHBondContact O-N 3.25Å; R301-R305 VanDerWaalsContact O-N 3.15Å; W303-R305 PolarHBondContact O-N 3.4Å; W303-R305 VanDerWaalsContact O-N 3.17Å; R305-D312 IonicContact NH1-OD2 3.75Å
306	T	97	Very high	88.7	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.025	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.7	174	85.9	0	0	0	0	114.1	L151 I166 A270 W297 W303 A304	L151-T306 HydrophobicContact CD2-CG2 3.64Å; I166-T306 WeakPolarHBondContact CD1-O 3.42Å; A270-T306 HydrophobicContact CB-CG2 3.77Å; A270-T306 VanDerWaalsContact CB-OG1 3.28Å; A270-T306 WeakPolarHBondContact CB-OG1 3.5Å; W297-T306 HydrophobicContact CZ2-CG2 4.27Å; W303-T306 WeakPolarHBondContact O-CB 3.27Å; W303-T306 WeakPolarHBondContact O-CG2 3.39Å; W303-T306 PolarHBondContact O-N 2.75Å; W303-T306 PolarHBondContact O-OG1 2.8Å; A304-T306 PolarHBondContact O-N 2.87Å; A304-T306 VanDerWaalsContact O-N 3.08Å
307	L	97	Very high	88.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-87.6	137.6	175.3	-60.1	176.1	0	0	0	109.3	M55 F57 I77 E96 K105 L269 W303 A304	M55-L307 HydrophobicContact CE-CD1 4.28Å; F57-L307 HydrophobicContact CE1-CD2 4.03Å; F57-L307 HydrophobicContact CZ-CD1 4.46Å; I77-L307 HydrophobicContact CD1-CD1 4.21Å; I77-L307 HydrophobicContact CG1-CD1 4.27Å; I77-L307 HydrophobicContact CG2-CD1 4.23Å; E96-L307 VanDerWaalsContact OE2-CA 3.31Å; E96-L307 WeakPolarHBondContact OE2-CA 3.36Å; K105-L307 WeakPolarHBondContact CE-O 3.5Å; K105-L307 PolarHBondContact NZ-O 3.34Å; L269-L307 HydrophobicContact CD2-CD2 3.44Å; L269-L307 VanDerWaalsContact CD2-CD2 3.44Å; W303-L307 HydrophobicContact CH2-CD1 4.3Å; W303-L307 HydrophobicContact CH2-CD2 3.85Å; W303-L307 HydrophobicContact CH2-CG 4.37Å; W303-L307 HydrophobicContact CZ2-CD2 4.34Å; W303-L307 HydrophobicContact CZ3-CD1 3.86Å; W303-L307 HydrophobicContact CZ3-CD2 4.2Å; W303-L307 HydrophobicContact CZ3-CG 4.22Å; A304-L307 HydrophobicContact CB-CD1 4.44Å; A304-L307 WeakPolarHBondContact O-CB 3.2Å; A304-L307 PolarHBondContact O-N 2.75Å
308	V	96.2	Very high	88.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-40.2	-176.6	171.5	0	0	0	0	111.6	E96 I98 A104 K105 Y107 F267	E96-V308 PolarHBondContact OE1-N 2.98Å; E96-V308 PolarHBondContact OE2-N 3.3Å; I98-V308 HydrophobicContact CD1-CB 4.02Å; I98-V308 HydrophobicContact CD1-CG1 3.96Å; I98-V308 HydrophobicContact CD1-CG2 3.96Å; I98-V308 HydrophobicContact CG1-CB 4.24Å; I98-V308 HydrophobicContact CG1-CG1 4.36Å; I98-V308 HydrophobicContact CG2-CG1 4.38Å; A104-V308 HydrophobicContact CB-CG1 3.83Å; K105-V308 PolarHBondContact N-O 3.15Å; Y107-V308 HydrophobicContact CD1-CB 4.32Å; Y107-V308 HydrophobicContact CD1-CG1 3.33Å; Y107-V308 HydrophobicContact CD1-CG2 3.98Å; Y107-V308 HydrophobicContact CD2-CG2 4.07Å; Y107-V308 HydrophobicContact CE1-CG1 3.62Å; Y107-V308 HydrophobicContact CG-CG1 3.97Å; Y107-V308 HydrophobicContact CG-CG2 3.69Å; F267-V308 HydrophobicContact CD1-CG2 3.63Å; F267-V308 HydrophobicContact CE1-CG2 3.79Å; F267-V308 HydrophobicContact CG-CG2 4.34Å
309	T	94.3	Very high	88.2	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.067	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8	-175.8	62.6	0	0	0	0	114	M55 E96 I98 R102 A104	M55-T309 WeakPolarHBondContact CE-OG1 3.44Å; E96-T309 WeakPolarHBondContact OE1-CB 3.48Å; E96-T309 PolarHBondContact OE1-N 2.81Å; E96-T309 PolarHBondContact OE1-OG1 3.33Å; I98-T309 HydrophobicContact CG2-CG2 3.97Å; R102-T309 HydrophobicContact CB-CG2 4.23Å; A104-T309 HydrophobicContact CB-CG2 4.25Å
310	Y	92.7	Very high	88.2	Confident	27 Å²	27	59.8 Å²	59.8	11%	0.106	29%	0.294	C	S	.	.			trans	-83.4	124.1	167.9	177.1	-105.7	0	0	0	110.8	I77 K105 W300 A304 D312	I77-Y310 HydrophobicContact CD1-CD2 3.38Å; I77-Y310 HydrophobicContact CD1-CE2 4Å; I77-Y310 HydrophobicContact CD1-CG 4.24Å; K105-Y310 WeakPolarHBondContact CE-O 3.37Å; K105-Y310 PolarHBondContact NZ-O 2.88Å; W300-Y310 HydrophobicContact CZ3-CE2 4.07Å; A304-Y310 VanDerWaalsContact C-CD1 3.45Å; A304-Y310 HydrophobicContact CB-CD1 3.58Å; A304-Y310 HydrophobicContact CB-CD2 4.01Å; A304-Y310 HydrophobicContact CB-CE1 3.68Å; A304-Y310 HydrophobicContact CB-CE2 4.06Å; A304-Y310 HydrophobicContact CB-CG 3.74Å; A304-Y310 WeakPolarHBondContact O-CB 3.41Å; A304-Y310 VanDerWaalsContact O-CD1 3.26Å; A304-Y310 WeakPolarHBondContact O-CD1 3.2Å; Y310-D312 HydrophobicContact CE1-CB 4.03Å; Y310-D312 PolarHBondContact OH-OD1 3.02Å
311	V	87.7	Confident	88.1	Confident	45 Å²	45	61 Å²	61	27%	0.273	30%	0.299	S	S	.	.			trans	-119.8	121.4	175.6	-166.9	0	0	0	0	107.2	L173 E313 C315	L173-V311 HydrophobicContact CD1-CG2 3.8Å; L173-V311 HydrophobicContact CD2-CB 4.41Å; L173-V311 HydrophobicContact CD2-CG1 3.71Å; L173-V311 HydrophobicContact CD2-CG2 3.77Å; L173-V311 HydrophobicContact CG-CG2 4.45Å; V311-E313 VanDerWaalsContact C-N 3.29Å; V311-E313 WeakPolarHBondContact CG1-O 3.45Å; V311-E313 PolarHBondContact O-N 3.34Å; V311-C315 HydrophobicContact CG1-CB 4.41Å
312	D	79.5	Confident	88.1	Confident	76 Å²	76	55.5 Å²	55.5	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-72.2	-25.4	-170.6	-152.8	17.4	0	0	0	112.9	R305 Y310	R305-D312 IonicContact NH1-OD2 3.75Å; Y310-D312 HydrophobicContact CE1-CB 4.03Å; Y310-D312 PolarHBondContact OH-OD1 3.02Å
313	E	73.6	Confident	88	Confident	110 Å²	110	54.4 Å²	54.4	51%	0.514	27%	0.273	S	S	.	.	S	Bend	trans	-132.7	158.3	-176.3	-71.6	172.2	-170.7	0	0	110.2	K170 V311 C315	K170-E313 WeakPolarHBondContact CE-OE2 3.23Å; K170-E313 IonicContact NZ-OE1 3.68Å; K170-E313 PolarHBondContact NZ-OE1 3.44Å; K170-E313 IonicContact NZ-OE2 3.28Å; K170-E313 PolarHBondContact NZ-OE2 2.94Å; V311-E313 VanDerWaalsContact C-N 3.29Å; V311-E313 WeakPolarHBondContact CG1-O 3.45Å; V311-E313 PolarHBondContact O-N 3.34Å; E313-C315 PolarHBondContact O-N 3.02Å
314	Q	68.9	Low	87.4	Confident	205 Å²	205	61.6 Å²	61.6	96%	0.958	31%	0.307	S	S	*	.			trans	-67.5	103.5	170.6	-70.6	-170.3	-6	0	0	109
315	C	71.1	Confident	86.7	Confident	37 Å²	37	67.5 Å²	67.5	25%	0.25	34%	0.338	C	S	.	.			trans	-92.3	127	169.2	-176.1	0	0	0	0	108.9	L173 V311 E313 F318	L173-C315 HydrophobicContact CD2-CB 3.74Å; V311-C315 HydrophobicContact CG1-CB 4.41Å; E313-C315 PolarHBondContact O-N 3.02Å; C315-F318 VanDerWaalsContact O-CZ 3.29Å; C315-F318 WeakPolarHBondContact O-CZ 3.34Å
316	S	69.5	Low	86.1	Confident	101 Å²	101	63.2 Å²	63.2	71%	0.706	32%	0.324	S	S	*	.			trans	-96	-18.7	175.9	57.1	0	0	0	0	113.2
317	N	83.4	Confident	85.2	Confident	127 Å²	127	66.5 Å²	66.5	68%	0.679	35%	0.346	S	S	*	.			trans	-106.2	86.6	-170.9	-63.8	-7.7	0	0	0	109.5
318	F	90.2	Very high	83.9	Confident	63 Å²	63	68.1 Å²	68.1	28%	0.276	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-82.4	141.2	176.4	-58	-68.8	0	0	0	111.3	P103 L173 Q175 C315	P103-F318 HydrophobicContact CB-CD1 3.92Å; P103-F318 HydrophobicContact CB-CE1 3.5Å; P103-F318 HydrophobicContact CB-CZ 4.36Å; P103-F318 HydrophobicContact CG-CD1 3.99Å; P103-F318 HydrophobicContact CG-CE1 3.3Å; P103-F318 HydrophobicContact CG-CZ 3.67Å; L173-F318 HydrophobicContact CD2-CD1 3.81Å; L173-F318 HydrophobicContact CD2-CE1 3.51Å; L173-F318 HydrophobicContact CG-CD1 4.01Å; L173-F318 HydrophobicContact CG-CE1 4.17Å; L173-F318 CarbonylContact O-C 3.57Å; L173-F318 WeakPolarHBondContact O-CA 3.49Å; Q175-F318 HydrophobicContact CB-CB 4.22Å; Q175-F318 VanDerWaalsContact OE1-CB 3.28Å; C315-F318 VanDerWaalsContact O-CZ 3.29Å; C315-F318 WeakPolarHBondContact O-CZ 3.34Å
319	I	91.5	Very high	81.9	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.118	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-87.7	137.5	174.4	-70.7	172.9	0	0	0	109.8	Y141 N171 L172 L173 F174 Q175	Y141-I319 HydrophobicContact CD1-CD1 4.45Å; Y141-I319 HydrophobicContact CD1-CG2 3.48Å; Y141-I319 VanDerWaalsContact CD1-CG2 3.48Å; Y141-I319 HydrophobicContact CD2-CG2 4.34Å; Y141-I319 HydrophobicContact CE1-CG2 3.26Å; Y141-I319 HydrophobicContact CE2-CG2 4.18Å; Y141-I319 HydrophobicContact CG-CD1 4.15Å; Y141-I319 HydrophobicContact CG-CG2 4.02Å; N171-I319 WeakPolarHBondContact O-CD1 3.29Å; L172-I319 HydrophobicContact CD1-CD1 3.67Å; L173-I319 PolarHBondContact O-N 2.73Å; F174-I319 VanDerWaalsContact CA-O 3.32Å; F174-I319 WeakPolarHBondContact CA-O 3.28Å; F174-I319 HydrophobicContact CD1-CB 4.45Å; F174-I319 HydrophobicContact CD1-CG2 3.95Å; F174-I319 HydrophobicContact CE1-CG2 3.63Å; F174-I319 HydrophobicContact CE2-CG2 4.5Å; F174-I319 HydrophobicContact CZ-CG2 3.92Å; Q175-I319 PolarHBondContact N-O 3.05Å; Q175-I319 VanDerWaalsContact N-O 3.09Å
320	H	91.8	Very high	79.7	Confident	96 Å²	96	76.9 Å²	76.9	44%	0.444	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-99.9	169.4	173.3	-66.2	-78.6	0	0	0	110.6	Y141	Y141-H320 WeakPolarHBondContact CE1-O 3.43Å; Y141-H320 PolarHBondContact OH-O 3.08Å
321	R	91.7	Very high	77.1	Confident	83 Å²	83	78.8 Å²	78.8	31%	0.313	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-53.4	149	174.1	71.4	-171.7	78.5	161.1	2.3	111.5	E179 Q182 V323	E179-R321 HydrophobicContact CB-CB 4.38Å; E179-R321 IonicContact OE1-CZ 3.85Å; E179-R321 IonicContact OE1-NE 3.8Å; E179-R321 PolarHBondContact OE1-NE 3.19Å; E179-R321 IonicContact OE1-NH2 3.52Å; E179-R321 PolarHBondContact OE1-NH2 3.46Å; E179-R321 WeakPolarHBondContact OE2-CB 3.17Å; E179-R321 VanDerWaalsContact OE2-CG 3.28Å; E179-R321 WeakPolarHBondContact OE2-CG 3.42Å; E179-R321 IonicContact OE2-CZ 2.87Å; E179-R321 PolarHBondContact OE2-N 3.44Å; E179-R321 IonicContact OE2-NE 2.74Å; E179-R321 PolarHBondContact OE2-NE 3.07Å; E179-R321 IonicContact OE2-NH2 3.49Å; Q182-R321 HydrophobicContact CB-CB 4.05Å; R321-V323 VanDerWaalsContact C-N 3.25Å; R321-V323 PolarHBondContact O-N 3.08Å
322	P	92.7	Very high	74.2	Confident	26 Å²	26	81.5 Å²	81.5	17%	0.169	42%	0.423	C	S	.	.	S	Bend	trans	-69.8	-19.3	-174.4	28.2	-35.5	0	0	0	114.1	F140 Y141 L183 I186	F140-P322 HydrophobicContact CB-CB 4.13Å; F140-P322 HydrophobicContact CD1-CB 3.46Å; F140-P322 VanDerWaalsContact CD1-CB 3.46Å; F140-P322 HydrophobicContact CD2-CB 3.98Å; F140-P322 HydrophobicContact CE1-CB 3.77Å; F140-P322 HydrophobicContact CE2-CB 4.27Å; F140-P322 HydrophobicContact CG-CB 3.59Å; F140-P322 HydrophobicContact CZ-CB 4.19Å; Y141-P322 VanDerWaalsContact OH-CD 3.24Å; Y141-P322 WeakPolarHBondContact OH-CD 3.38Å; L183-P322 HydrophobicContact CB-CG 4.16Å; L183-P322 HydrophobicContact CD1-CG 4.31Å; I186-P322 HydrophobicContact CD1-CG 3.89Å
323	V	91.9	Very high	71.8	Confident	10 Å²	10	83.9 Å²	83.9	6%	0.061	44%	0.436	C	S	.	.			trans	-125.1	92.8	179.5	-172.5	0	0	0	0	109.4	Q182 I186 H209 Q213 R321 N325 C326	Q182-V323 PolarHBondContact NE2-O 2.76Å; Q182-V323 PolarHBondContact OE1-O 3.49Å; I186-V323 HydrophobicContact CD1-CG2 3.59Å; H209-V323 HydrophobicContact CB-CG1 3.48Å; H209-V323 VanDerWaalsContact CB-CG1 3.48Å; Q213-V323 HydrophobicContact CB-CG2 4.32Å; Q213-V323 HydrophobicContact CG-CG2 3.56Å; R321-V323 VanDerWaalsContact C-N 3.25Å; R321-V323 PolarHBondContact O-N 3.08Å; V323-N325 PolarHBondContact O-N 2.84Å; V323-C326 HydrophobicContact CB-CB 4.01Å; V323-C326 HydrophobicContact CG1-CB 3.78Å; V323-C326 WeakPolarHBondContact O-CB 3.38Å; V323-C326 PolarHBondContact O-N 3.26Å
324	E	84.3	Confident	69.5	Low	150 Å²	150	83.1 Å²	83.1	70%	0.701	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-49	-177.6	-64.1	-175.5	166	0	0	112.2	C326	E324-C326 PolarHBondContact O-N 3.18Å; E324-C326 VanDerWaalsContact O-N 3.16Å
325	N	81.4	Confident	67.5	Low	124 Å²	124	80.7 Å²	80.7	66%	0.663	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	23.3	-176.1	-64.5	-38.3	0	0	0	114.1	V323 C327	V323-N325 PolarHBondContact O-N 2.84Å; N325-C327 PolarHBondContact O-N 2.59Å
326	C	82.4	Confident	65.2	Low	10 Å²	10	85.5 Å²	85.5	7%	0.068	45%	0.454	C	S	.	.			trans	-73.5	120.4	-179	176.7	0	0	0	0	112.3	Q182 C210 V323 E324 C328	Q182-C326 PolarHBondContact NE2-SG 3.3Å; C210-C326 PolarHBondContact SG-SG 2.77Å; V323-C326 HydrophobicContact CB-CB 4.01Å; V323-C326 HydrophobicContact CG1-CB 3.78Å; V323-C326 WeakPolarHBondContact O-CB 3.38Å; V323-C326 PolarHBondContact O-N 3.26Å; E324-C326 PolarHBondContact O-N 3.18Å; E324-C326 VanDerWaalsContact O-N 3.16Å; C326-C328 WeakPolarHBondContact SG-CB 3.21Å; C326-C328 PolarHBondContact SG-N 3.39Å
327	C	78.4	Confident	63	Low	73 Å²	73	87 Å²	87	49%	0.493	46%	0.459	S	S	.	.			trans	-87.5	-4.2	170.7	67.8	0	0	0	0	113.9	C207 N325 N329 K330	C207-C327 VanDerWaalsContact CB-SG 3.5Å; N325-C327 PolarHBondContact O-N 2.59Å; C327-N329 PolarHBondContact O-N 2.83Å; C327-K330 PolarHBondContact O-N 3.09Å
328	C	68.6	Low	60.2	Low	33 Å²	33	87.8 Å²	87.8	22%	0.223	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.8	-177.3	-47.2	0	0	0	0	113.8	R185 C207 C326	R185-C328 VanDerWaalsContact NH1-CB 3.27Å; R185-C328 PolarHBondContact NH1-O 2.81Å; C207-C328 PolarHBondContact N-SG 2.74Å; C326-C328 WeakPolarHBondContact SG-CB 3.21Å; C326-C328 PolarHBondContact SG-N 3.39Å
329	N	55.4	Low	56.9	Low	45 Å²	45	89.8 Å²	89.8	24%	0.241	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.6	-178.1	-84.3	7.1	0	0	0	113	R185 C327 T331	R185-N329 PolarHBondContact NH1-OD1 2.85Å; C327-N329 PolarHBondContact O-N 2.83Å; N329-T331 PolarHBondContact O-N 3.22Å
330	K	47	Very low	53.8	Low	151 Å²	151	92.5 Å²	92.5	66%	0.657	50%	0.495	S	S	*	.			trans	-67.3	81.8	170.5	-70.4	-167.9	178.8	-171.1	0	109.3	C327 D332	C327-K330 PolarHBondContact O-N 3.09Å; K330-D332 HydrophobicContact CB-CB 4.48Å; K330-D332 PolarHBondContact O-N 3.44Å
331	T	38.1	Very low	50.5	Low	67 Å²	67	94.1 Å²	94.1	41%	0.411	51%	0.512	S	S	.	.			trans	-74.6	44.3	158.8	57.6	0	0	0	0	109.2	N329 N333	N329-T331 PolarHBondContact O-N 3.22Å; T331-N333 PolarHBondContact O-N 2.99Å
332	D	27.6	Very low	47.3	Very low	101 Å²	101	95.6 Å²	95.6	54%	0.54	53%	0.526	S	S	.	.			trans	-66.4	103.9	175.1	-94.3	-17.3	0	0	0	106.1	K330 T334	K330-D332 HydrophobicContact CB-CB 4.48Å; K330-D332 PolarHBondContact O-N 3.44Å; D332-T334 VanDerWaalsContact CB-OG1 3.31Å; D332-T334 WeakPolarHBondContact CB-OG1 3.48Å; D332-T334 PolarHBondContact O-N 3.42Å
333	N	29.2	Very low	44	Very low	127 Å²	127	101.8 Å²	101.8	68%	0.679	56%	0.557	S	S	*	*			trans	-66.2	0.8	165.9	-85.8	-13	0	0	0	111.3	T331 L335	T331-N333 PolarHBondContact O-N 2.99Å; N333-L335 PolarHBondContact O-N 2.92Å; N333-L335 VanDerWaalsContact O-N 3.09Å
334	T	24.9	Very low	40.8	Very low	93 Å²	93	110.5 Å²	110.5	57%	0.571	59%	0.591	S	S	*	*	S	Bend	trans	-70.2	101.6	158.6	36.3	0	0	0	0	106.7	D332 L336	D332-T334 VanDerWaalsContact CB-OG1 3.31Å; D332-T334 WeakPolarHBondContact CB-OG1 3.48Å; D332-T334 PolarHBondContact O-N 3.42Å; T334-L336 PolarHBondContact O-N 3.39Å
335	L	26.6	Very low	37.9	Very low	155 Å²	155	110.9 Å²	110.9	81%	0.812	60%	0.596	S	S	*	*			trans	-25.3	108.9	146.6	-71.6	158.7	0	0	0	106.8	N333 T337	N333-L335 PolarHBondContact O-N 2.92Å; N333-L335 VanDerWaalsContact O-N 3.09Å; L335-T337 PolarHBondContact O-N 3.19Å
336	L	23.7	Very low	35.1	Very low	137 Å²	137	111 Å²	111	72%	0.717	60%	0.601	S	S	*	*			trans	-51	98.9	175.1	-78.2	155.9	0	0	0	105.4	T334 Y338	T334-L336 PolarHBondContact O-N 3.39Å; L336-Y338 HydrophobicContact CB-CD2 4.17Å; L336-Y338 HydrophobicContact CB-CE2 4Å; L336-Y338 WeakPolarHBondContact O-CD2 3.37Å; L336-Y338 PolarHBondContact O-N 3.37Å
337	T	22.3	Very low	32.4	Very low	132 Å²	132	117.7 Å²	117.7	81%	0.81	64%	0.636	S	S	*	*			trans	-69.4	90.4	167.2	34.7	0	0	0	0	103.7	L335 S339	L335-T337 PolarHBondContact O-N 3.19Å; T337-S339 PolarHBondContact O-N 3.4Å
338	Y	24.3	Very low	29.8	Very low	144 Å²	144	119.1 Å²	119.1	57%	0.565	65%	0.647	S	S	*	*			trans	-56	121.2	178.6	-84.7	-90	0	0	0	108.9	L336 P340	L336-Y338 HydrophobicContact CB-CD2 4.17Å; L336-Y338 HydrophobicContact CB-CE2 4Å; L336-Y338 WeakPolarHBondContact O-CD2 3.37Å; L336-Y338 PolarHBondContact O-N 3.37Å; Y338-P340 WeakPolarHBondContact O-CD 3.47Å
339	S	21.5	Very low	27.9	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	67%	0.67	S	S	*	*			trans	-82	114.7	154	-57.2	0	0	0	0	106.3	T337 T341	T337-S339 PolarHBondContact O-N 3.4Å; S339-T341 PolarHBondContact O-N 2.86Å; S339-T341 VanDerWaalsContact O-N 3.13Å
340	P	26	Very low	26.6	Very low	81 Å²	81	127.6 Å²	127.6	53%	0.526	70%	0.698	S	S	.	*			trans	-68.2	113.9	178.8	25.4	-28	0	0	0	108.3	Y338 N342	Y338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-N342 VanDerWaalsContact C-N 3.34Å; P340-N342 PolarHBondContact O-N 3.19Å
341	T	22.9	Very low	25.7	Very low	130 Å²	130	128.6 Å²	128.6	80%	0.798	71%	0.71	S	S	*	*			trans	-65.7	99	165	42.5	0	0	0	0	107.6	S339 N343	S339-T341 PolarHBondContact O-N 2.86Å; S339-T341 VanDerWaalsContact O-N 3.13Å; T341-N343 VanDerWaalsContact C-N 3.32Å; T341-N343 PolarHBondContact O-N 3.31Å
342	N	24.6	Very low	25.2	Very low	113 Å²	113	131.7 Å²	131.7	60%	0.604	73%	0.729	S	S	*	*			trans	-58.8	91.4	169.2	-82.7	-17.7	0	0	0	109.5	P340 Y344	P340-N342 VanDerWaalsContact C-N 3.34Å; P340-N342 PolarHBondContact O-N 3.19Å; N342-Y344 HydrophobicContact CB-CD2 4.49Å; N342-Y344 PolarHBondContact O-N 2.87Å
343	N	24.2	Very low	25.1	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	75%	0.745	S	S	*	*			trans	-84.4	65.6	150.9	-78.3	-3.5	0	0	0	107.5	T341	T341-N343 VanDerWaalsContact C-N 3.32Å; T341-N343 PolarHBondContact O-N 3.31Å
344	Y	23.3	Very low	24.9	Very low	194 Å²	194	136.7 Å²	136.7	76%	0.761	75%	0.745	S	S	*	*			trans	-97.9	110.8	159.9	-81.9	-76.7	0	0	0	107	N342 T346	N342-Y344 HydrophobicContact CB-CD2 4.49Å; N342-Y344 PolarHBondContact O-N 2.87Å; Y344-T346 PolarHBondContact O-N 2.75Å
345	I	24.8	Very low	24.9	Very low	157 Å²	157	141.3 Å²	141.3	81%	0.805	76%	0.76	S	S	*	*			trans	-41.9	115.3	161.1	-66.5	167.2	0	0	0	106.4	N347	I345-N347 PolarHBondContact O-N 3.37Å
346	T	22	Very low	24.9	Very low	126 Å²	126	140.7 Å²	140.7	77%	0.773	76%	0.762	S	S	*	*			trans	-53	108.8	-177.9	47.2	0	0	0	0	109.9	Y344	Y344-T346 PolarHBondContact O-N 2.75Å
347	N	24.6	Very low	25.2	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	76%	0.762	S	S	*	*			trans	-136.4	106	147.6	-86.7	-25.8	0	0	0	106.8	I345	I345-N347 PolarHBondContact O-N 3.37Å
348	S	25.3	Very low	25.6	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	75%	0.746	S	S	*	*			trans	19.3	127.6	156.8	53.6	0	0	0	0	120.2
349	S	27.3	Very low	26.1	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	76%	0.76	S	S	*	*			trans	57.4	100.4	150.4	56.4	0	0	0	0	117.8
350	D	29.5	Very low	26.8	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	76%	0.758	S	S	*	*				-176.8	142	109.1	-90.4	-25.1	0	0	0	112	V352	D350-V352 PolarHBondContact O-N 2.88Å
351	N	26.8	Very low	27.7	Very low	171 Å²	171	139.2 Å²	139.2	91%	0.914	75%	0.751	S	S	*	*			trans	-65	114.9	178.4	-76.4	-43.3	0	0	0	111.1
352	V	29	Very low	28.7	Very low	132 Å²	132	134.7 Å²	134.7	80%	0.8	73%	0.727	S	S	*	*			trans	-130	114.6	163.9	-175.8	0	0	0	0	110	D350	D350-V352 PolarHBondContact O-N 2.88Å
353	Q	23.8	Very low	29.8	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.7	176.4	-77.1	176.7	-26.9	0	0	111.7
354	H	26.1	Very low	31	Very low	148 Å²	148	130 Å²	130	69%	0.685	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.2	124.8	-176.7	-67.1	-79.4	0	0	0	114
355	Q	23.8	Very low	32.6	Very low	189 Å²	189	124.6 Å²	124.6	88%	0.883	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-103.1	129.2	163.4	-82.7	-176.9	-14.6	0	0	111.1
356	V	28.2	Very low	34.5	Very low	142 Å²	142	117.9 Å²	117.9	86%	0.861	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-73	122	173.3	175.8	0	0	0	0	108.4	S358	V356-S358 PolarHBondContact O-N 3.43Å
357	V	29.6	Very low	36.6	Very low	116 Å²	116	119.7 Å²	119.7	70%	0.703	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.8	-175.8	-177.6	0	0	0	0	110.4	D361	V357-D361 HydrophobicContact CG1-CB 3.55Å; V357-D361 WeakPolarHBondContact CG1-OD2 3.19Å
358	S	30.3	Very low	38.7	Very low	68 Å²	68	116.3 Å²	116.3	48%	0.476	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-91.1	162.3	-173.1	75.8	0	0	0	0	112.1	V356 N360 D361	V356-S358 PolarHBondContact O-N 3.43Å; S358-N360 PolarHBondContact O-N 3.48Å; S358-D361 PolarHBondContact N-OD2 3.42Å; S358-D361 PolarHBondContact O-N 3.24Å; S358-D361 PolarHBondContact OG-OD2 3.44Å
359	E	35	Very low	41.2	Very low	186 Å²	186	112.2 Å²	112.2	87%	0.869	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-23.6	-176	-71.1	-175.2	147.7	0	0	115	D361	E359-D361 VanDerWaalsContact C-N 3.33Å; E359-D361 PolarHBondContact O-N 2.98Å
360	N	36.7	Very low	43.7	Very low	130 Å²	130	109.9 Å²	109.9	70%	0.695	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-22.9	179.4	-75.4	-16.2	0	0	0	113.4	S358 A362	S358-N360 PolarHBondContact O-N 3.48Å; N360-A362 PolarHBondContact O-N 2.87Å
361	D	45	Very low	46.2	Very low	69 Å²	69	109.3 Å²	109.3	37%	0.369	59%	0.587	S	S	.	*	H	α-helix	trans	-78.9	-21.1	-172.4	-62.5	-44	0	0	0	113.2	V357 S358 E359 N363 V364 F365	V357-D361 HydrophobicContact CG1-CB 3.55Å; V357-D361 WeakPolarHBondContact CG1-OD2 3.19Å; S358-D361 PolarHBondContact N-OD2 3.42Å; S358-D361 PolarHBondContact O-N 3.24Å; S358-D361 PolarHBondContact OG-OD2 3.44Å; E359-D361 VanDerWaalsContact C-N 3.33Å; E359-D361 PolarHBondContact O-N 2.98Å; D361-N363 VanDerWaalsContact C-N 3.34Å; D361-N363 PolarHBondContact O-N 3.24Å; D361-V364 WeakPolarHBondContact O-CB 3.25Å; D361-V364 PolarHBondContact O-N 3.4Å; D361-F365 PolarHBondContact O-N 3.5Å
362	A	43	Very low	48.9	Very low	35 Å²	35	105.2 Å²	105.2	29%	0.289	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-36.1	-179.6	0	0	0	0	0	112.8	N360 F365 L366	N360-A362 PolarHBondContact O-N 2.87Å; A362-F365 PolarHBondContact O-N 3.23Å; A362-L366 PolarHBondContact O-N 2.93Å
363	N	47.4	Very low	51.5	Low	82 Å²	82	99.1 Å²	99.1	44%	0.439	53%	0.528	S	S	.	.	H	α-helix	trans	-72.5	-34.4	174.3	-79.1	-27.9	0	0	0	111.7	D361 F365	D361-N363 VanDerWaalsContact C-N 3.34Å; D361-N363 PolarHBondContact O-N 3.24Å; N363-F365 VanDerWaalsContact C-N 3.3Å; N363-F365 PolarHBondContact O-N 3.35Å
364	V	49.7	Very low	54.5	Low	89 Å²	89	91 Å²	91	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-38.9	173.7	-179.9	0	0	0	0	110.3	D361 Q367 S368	D361-V364 WeakPolarHBondContact O-CB 3.25Å; D361-V364 PolarHBondContact O-N 3.4Å; V364-Q367 WeakPolarHBondContact O-CB 3.36Å; V364-Q367 PolarHBondContact O-N 3.31Å; V364-S368 PolarHBondContact O-N 2.88Å
365	F	56.7	Low	57.3	Low	80 Å²	80	87.5 Å²	87.5	35%	0.351	48%	0.483	S	S	.	.	H	α-helix	trans	-69.6	-37.9	-178.4	-156.1	-86.7	0	0	0	113.4	D361 A362 N363 Q367 S368 L369 I407 F410	D361-F365 PolarHBondContact O-N 3.5Å; A362-F365 PolarHBondContact O-N 3.23Å; N363-F365 VanDerWaalsContact C-N 3.3Å; N363-F365 PolarHBondContact O-N 3.35Å; F365-Q367 PolarHBondContact O-N 2.8Å; F365-S368 WeakPolarHBondContact O-CB 3.5Å; F365-S368 PolarHBondContact O-N 3.49Å; F365-S368 PolarHBondContact O-OG 3.5Å; F365-L369 HydrophobicContact CE1-CD2 4.43Å; F365-I407 HydrophobicContact CB-CD1 4Å; F365-I407 HydrophobicContact CD1-CD1 3.63Å; F365-I407 HydrophobicContact CG-CD1 4.21Å; F365-F410 HydrophobicContact CE1-CB 4.27Å; F365-F410 AromaticContact CE1-CD1 3.64Å; F365-F410 HydrophobicContact CE1-CD1 3.64Å; F365-F410 HydrophobicContact CE1-CE1 4.15Å; F365-F410 HydrophobicContact CE1-CG 4.03Å; F365-F410 AromaticContact CZ-CD1 3.42Å; F365-F410 HydrophobicContact CZ-CD1 3.42Å; F365-F410 VanDerWaalsContact CZ-CD1 3.42Å; F365-F410 AromaticContact CZ-CE1 3.88Å; F365-F410 HydrophobicContact CZ-CE1 3.88Å; F365-F410 HydrophobicContact CZ-CG 4.22Å
366	L	64	Low	60.5	Low	16 Å²	16	79.3 Å²	79.3	8%	0.084	45%	0.445	C	S	.	.	H	α-helix	trans	-59.4	-33.2	173	-97.2	158.1	0	0	0	112.5	A362 S368 L369 V374 I405 I407	A362-L366 PolarHBondContact O-N 2.93Å; L366-S368 VanDerWaalsContact C-N 3.28Å; L366-S368 PolarHBondContact O-N 3.42Å; L366-L369 HydrophobicContact CD2-CD1 4.39Å; L366-L369 PolarHBondContact O-N 2.93Å; L366-V374 WeakPolarHBondContact O-CG2 3.33Å; L366-I405 HydrophobicContact CD1-CB 3.78Å; L366-I405 HydrophobicContact CD1-CG2 3.83Å; L366-I405 HydrophobicContact CD2-CG2 4.45Å; L366-I407 HydrophobicContact CG-CD1 4.05Å; L366-I407 HydrophobicContact CG-CG1 4.39Å
367	Q	65.9	Low	63.4	Low	164 Å²	164	72.6 Å²	72.6	77%	0.766	40%	0.404	S	S	*	.	H	α-helix	trans	-72.7	-20.6	177	-65.6	176.7	-0.9	0	0	113	V364 F365	V364-Q367 WeakPolarHBondContact O-CB 3.36Å; V364-Q367 PolarHBondContact O-N 3.31Å; F365-Q367 PolarHBondContact O-N 2.8Å
368	S	69.8	Low	66.2	Low	80 Å²	80	71.3 Å²	71.3	56%	0.559	39%	0.389	S	S	*	.	H	α-helix	trans	-82.2	-15.4	177.4	74.9	0	0	0	0	114.1	V364 F365 L366	V364-S368 PolarHBondContact O-N 2.88Å; F365-S368 WeakPolarHBondContact O-CB 3.5Å; F365-S368 PolarHBondContact O-N 3.49Å; F365-S368 PolarHBondContact O-OG 3.5Å; L366-S368 VanDerWaalsContact C-N 3.28Å; L366-S368 PolarHBondContact O-N 3.42Å
369	L	78.6	Confident	69	Low	17 Å²	17	73.5 Å²	73.5	9%	0.089	39%	0.39	C	S	.	.	S	Bend	trans	-77.1	150.1	179.7	-67.5	173.5	0	0	0	111.1	F365 L366 L371 L373 V374 I377 L415	F365-L369 HydrophobicContact CE1-CD2 4.43Å; L366-L369 HydrophobicContact CD2-CD1 4.39Å; L366-L369 PolarHBondContact O-N 2.93Å; L369-L371 PolarHBondContact O-N 3.33Å; L369-L373 HydrophobicContact CD2-CD2 4.25Å; L369-V374 HydrophobicContact CB-CG2 3.66Å; L369-I377 HydrophobicContact CD1-CD1 4.39Å; L369-L415 HydrophobicContact CD1-CD2 3.58Å
370	P	78.7	Confident	71.7	Confident	51 Å²	51	64.8 Å²	64.8	33%	0.331	35%	0.349	S	S	.	.			trans	-52	134.7	174.6	-26.2	33.9	0	0	0	112	N372 L373 V374	P370-N372 PolarHBondContact O-N 3.42Å; P370-L373 HydrophobicContact CB-CB 4.22Å; P370-L373 WeakPolarHBondContact O-CA 3.47Å; P370-L373 WeakPolarHBondContact O-CB 3.24Å; P370-L373 PolarHBondContact O-N 2.83Å; P370-V374 PolarHBondContact O-N 3.09Å
371	L	82.4	Confident	74.2	Confident	144 Å²	144	58.6 Å²	58.6	75%	0.754	32%	0.316	S	S	*	.	H	α-helix	trans	-55.7	-37.9	-176	-74.4	167.8	0	0	0	113.1	L369 V374 S375	L369-L371 PolarHBondContact O-N 3.33Å; L371-V374 PolarHBondContact O-N 2.97Å; L371-S375 WeakPolarHBondContact O-CB 3.47Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 3.43Å
372	N	83.6	Confident	76.1	Confident	85 Å²	85	59 Å²	59	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.4	-68.7	-7.8	0	0	0	111.1	P370 S375 F376 D472	P370-N372 PolarHBondContact O-N 3.42Å; N372-S375 PolarHBondContact O-N 3.27Å; N372-F376 WeakPolarHBondContact O-CB 3.46Å; N372-F376 PolarHBondContact O-N 3.3Å; N372-D472 PolarHBondContact ND2-O 3.13Å
373	L	84	Confident	78.2	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-45.2	176.9	-176.2	58.5	0	0	0	111.7	L369 P370 S375 F376 I377 L443 I469 C473	L369-L373 HydrophobicContact CD2-CD2 4.25Å; P370-L373 HydrophobicContact CB-CB 4.22Å; P370-L373 WeakPolarHBondContact O-CA 3.47Å; P370-L373 WeakPolarHBondContact O-CB 3.24Å; P370-L373 PolarHBondContact O-N 2.83Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.1Å; L373-F376 PolarHBondContact O-N 3.23Å; L373-I377 HydrophobicContact CD1-CD1 4.18Å; L373-I377 HydrophobicContact CD1-CG1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.88Å; L373-I377 HydrophobicContact CG-CG1 4.43Å; L373-I377 VanDerWaalsContact O-CG1 3.27Å; L373-I377 WeakPolarHBondContact O-CG1 3.16Å; L373-I377 PolarHBondContact O-N 3.04Å; L373-L443 HydrophobicContact CD1-CD2 3.82Å; L373-L443 HydrophobicContact CD2-CD1 3.8Å; L373-L443 HydrophobicContact CD2-CD2 3.78Å; L373-L443 HydrophobicContact CD2-CG 4.47Å; L373-L443 HydrophobicContact CG-CD2 4.46Å; L373-I469 HydrophobicContact CD1-CG2 4.5Å; L373-C473 WeakPolarHBondContact CB-O 3.23Å; L373-C473 HydrophobicContact CD1-CB 4.43Å
374	V	85.4	Confident	80.1	Confident	17 Å²	17	56.5 Å²	56.5	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-43.7	177	176.4	0	0	0	0	110.8	L366 L369 P370 L371 F376 I377 K378	L366-V374 WeakPolarHBondContact O-CG2 3.33Å; L369-V374 HydrophobicContact CB-CG2 3.66Å; P370-V374 PolarHBondContact O-N 3.09Å; L371-V374 PolarHBondContact O-N 2.97Å; V374-F376 VanDerWaalsContact C-N 3.33Å; V374-F376 PolarHBondContact O-N 3.36Å; V374-I377 PolarHBondContact O-N 2.57Å; V374-K378 HydrophobicContact CG1-CD 4.29Å; V374-K378 WeakPolarHBondContact O-CB 3.46Å; V374-K378 WeakPolarHBondContact O-CG 3.48Å; V374-K378 PolarHBondContact O-N 3.48Å
375	S	86.3	Confident	81.8	Confident	73 Å²	73	52.4 Å²	52.4	51%	0.51	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-40.6	177.3	-58.5	0	0	0	0	111.5	L371 N372 L373 K378 K379	L371-S375 WeakPolarHBondContact O-CB 3.47Å; L371-S375 PolarHBondContact O-N 3.44Å; L371-S375 PolarHBondContact O-OG 3.43Å; N372-S375 PolarHBondContact O-N 3.27Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.1Å; S375-K378 PolarHBondContact O-N 3.35Å; S375-K379 WeakPolarHBondContact O-CB 3.37Å; S375-K379 PolarHBondContact O-N 3.02Å
376	F	89.7	Confident	83	Confident	18 Å²	18	52.1 Å²	52.1	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-47.8	175.1	-177.8	-101.6	0	0	0	112.4	N372 L373 V374 K378 K379 I380 F441 Y448 I469 P470 C473	N372-F376 WeakPolarHBondContact O-CB 3.46Å; N372-F376 PolarHBondContact O-N 3.3Å; L373-F376 PolarHBondContact O-N 3.23Å; V374-F376 VanDerWaalsContact C-N 3.33Å; V374-F376 PolarHBondContact O-N 3.36Å; F376-K378 VanDerWaalsContact C-N 3.27Å; F376-K378 PolarHBondContact O-N 2.93Å; F376-K379 WeakPolarHBondContact O-CB 3.43Å; F376-K379 PolarHBondContact O-N 3.06Å; F376-K379 VanDerWaalsContact O-N 3.09Å; F376-I380 HydrophobicContact CD1-CG1 4.09Å; F376-I380 HydrophobicContact CD2-CG1 4.49Å; F376-I380 HydrophobicContact CE1-CD1 4.24Å; F376-I380 HydrophobicContact CE1-CG1 3.62Å; F376-I380 HydrophobicContact CE2-CD1 3.89Å; F376-I380 HydrophobicContact CE2-CG1 4.06Å; F376-I380 HydrophobicContact CZ-CD1 3.69Å; F376-I380 HydrophobicContact CZ-CG1 3.62Å; F376-I380 WeakPolarHBondContact O-CG1 3.42Å; F376-I380 PolarHBondContact O-N 3.49Å; F376-F441 HydrophobicContact CD1-CD1 4.43Å; F376-F441 HydrophobicContact CD1-CE1 4.07Å; F376-F441 HydrophobicContact CE1-CD1 4.28Å; F376-F441 AromaticContact CE1-CE1 3.93Å; F376-F441 HydrophobicContact CE1-CE1 3.93Å; F376-Y448 AromaticContact CE1-CD1 3.87Å; F376-Y448 HydrophobicContact CE1-CD1 3.87Å; F376-Y448 HydrophobicContact CE1-CE1 4.06Å; F376-Y448 AromaticContact CZ-CD1 3.92Å; F376-Y448 HydrophobicContact CZ-CD1 3.92Å; F376-Y448 AromaticContact CZ-CE1 3.66Å; F376-Y448 HydrophobicContact CZ-CE1 3.66Å; F376-I469 HydrophobicContact CD1-CG2 4.06Å; F376-I469 HydrophobicContact CE1-CB 4.24Å; F376-I469 HydrophobicContact CE1-CG1 3.93Å; F376-I469 HydrophobicContact CE1-CG2 3.97Å; F376-P470 HydrophobicContact CD2-CG 3.99Å; F376-P470 HydrophobicContact CE2-CG 3.71Å; F376-P470 VanDerWaalsContact CZ-CD 3.45Å; F376-P470 HydrophobicContact CZ-CG 4.41Å; F376-C473 HydrophobicContact CB-CB 4.4Å
377	I	89.8	Confident	83.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-45.4	176.1	-70.2	165.2	0	0	0	110.2	L369 L373 V374 K379 I380 I381 L415 V417 F441	L369-I377 HydrophobicContact CD1-CD1 4.39Å; L373-I377 HydrophobicContact CD1-CD1 4.18Å; L373-I377 HydrophobicContact CD1-CG1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.88Å; L373-I377 HydrophobicContact CG-CG1 4.43Å; L373-I377 VanDerWaalsContact O-CG1 3.27Å; L373-I377 WeakPolarHBondContact O-CG1 3.16Å; L373-I377 PolarHBondContact O-N 3.04Å; V374-I377 PolarHBondContact O-N 2.57Å; I377-K379 PolarHBondContact O-N 2.92Å; I377-I380 PolarHBondContact O-N 3.41Å; I377-I381 HydrophobicContact CG2-CD1 3.63Å; I377-I381 HydrophobicContact CG2-CG1 4.46Å; I377-I381 WeakPolarHBondContact O-CB 3.4Å; I377-I381 WeakPolarHBondContact O-CD1 3.31Å; I377-I381 VanDerWaalsContact O-CG1 3.3Å; I377-I381 WeakPolarHBondContact O-CG1 3.38Å; I377-I381 PolarHBondContact O-N 3.28Å; I377-L415 HydrophobicContact CD1-CD2 3.55Å; I377-V417 HydrophobicContact CG2-CG2 4.42Å; I377-F441 HydrophobicContact CB-CE1 4.44Å; I377-F441 HydrophobicContact CB-CE2 4.43Å; I377-F441 HydrophobicContact CB-CZ 4.1Å; I377-F441 HydrophobicContact CG1-CD1 3.99Å; I377-F441 HydrophobicContact CG1-CD2 4.15Å; I377-F441 HydrophobicContact CG1-CE1 3.78Å; I377-F441 HydrophobicContact CG1-CE2 3.95Å; I377-F441 HydrophobicContact CG1-CG 4.18Å; I377-F441 HydrophobicContact CG1-CZ 3.76Å; I377-F441 HydrophobicContact CG2-CE2 4.03Å; I377-F441 HydrophobicContact CG2-CZ 4.05Å
378	K	88.8	Confident	84	Confident	88 Å²	88	49.3 Å²	49.3	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-46.4	175.7	-78	176.9	-179.5	179.1	0	111.7	V374 S375 F376 I380 I381 Q382 F401 I405	V374-K378 HydrophobicContact CG1-CD 4.29Å; V374-K378 WeakPolarHBondContact O-CB 3.46Å; V374-K378 WeakPolarHBondContact O-CG 3.48Å; V374-K378 PolarHBondContact O-N 3.48Å; S375-K378 PolarHBondContact O-N 3.35Å; F376-K378 VanDerWaalsContact C-N 3.27Å; F376-K378 PolarHBondContact O-N 2.93Å; K378-I380 PolarHBondContact O-N 2.71Å; K378-I381 PolarHBondContact O-N 2.86Å; K378-Q382 WeakPolarHBondContact O-CB 3.3Å; K378-Q382 PolarHBondContact O-N 3.45Å; K378-F401 HydrophobicContact CB-CE2 4.05Å; K378-F401 HydrophobicContact CB-CZ 3.74Å; K378-F401 HydrophobicContact CG-CE2 4Å; K378-F401 HydrophobicContact CG-CZ 4.02Å; K378-F401 VanDerWaalsContact O-CZ 3.26Å; K378-F401 WeakPolarHBondContact O-CZ 2.96Å; K378-I405 HydrophobicContact CG-CD1 4.01Å
379	K	89.1	Confident	83.9	Confident	115 Å²	115	48 Å²	48	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-48.4	175.4	-179.8	-173.9	172.9	-173.6	0	111.7	S375 F376 I377 I381 Q382 E383	S375-K379 WeakPolarHBondContact O-CB 3.37Å; S375-K379 PolarHBondContact O-N 3.02Å; F376-K379 WeakPolarHBondContact O-CB 3.43Å; F376-K379 PolarHBondContact O-N 3.06Å; F376-K379 VanDerWaalsContact O-N 3.09Å; I377-K379 PolarHBondContact O-N 2.92Å; K379-I381 PolarHBondContact O-N 3.47Å; K379-Q382 WeakPolarHBondContact O-CB 3.36Å; K379-Q382 PolarHBondContact O-N 3.5Å; K379-E383 VanDerWaalsContact CE-OE1 3.23Å; K379-E383 WeakPolarHBondContact CE-OE1 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.44Å; K379-E383 PolarHBondContact O-N 2.89Å
380	I	90.8	Very high	82.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-40.5	179.9	-63.6	-45.2	0	0	0	111.8	F376 I377 K378 Q382 E383 W384 L439 F441 Y448	F376-I380 HydrophobicContact CD1-CG1 4.09Å; F376-I380 HydrophobicContact CD2-CG1 4.49Å; F376-I380 HydrophobicContact CE1-CD1 4.24Å; F376-I380 HydrophobicContact CE1-CG1 3.62Å; F376-I380 HydrophobicContact CE2-CD1 3.89Å; F376-I380 HydrophobicContact CE2-CG1 4.06Å; F376-I380 HydrophobicContact CZ-CD1 3.69Å; F376-I380 HydrophobicContact CZ-CG1 3.62Å; F376-I380 WeakPolarHBondContact O-CG1 3.42Å; F376-I380 PolarHBondContact O-N 3.49Å; I377-I380 PolarHBondContact O-N 3.41Å; K378-I380 PolarHBondContact O-N 2.71Å; I380-Q382 VanDerWaalsContact C-N 3.32Å; I380-Q382 PolarHBondContact O-N 3.16Å; I380-E383 WeakPolarHBondContact O-CB 3.49Å; I380-E383 PolarHBondContact O-N 3.09Å; I380-W384 HydrophobicContact CG2-CE3 3.84Å; I380-W384 HydrophobicContact CG2-CZ3 3.91Å; I380-W384 PolarHBondContact O-N 3.37Å; I380-L439 HydrophobicContact CG2-CD1 3.99Å; I380-F441 HydrophobicContact CB-CE1 4.29Å; I380-F441 HydrophobicContact CB-CZ 4.11Å; I380-F441 HydrophobicContact CG1-CE1 4.19Å; I380-F441 HydrophobicContact CG2-CE1 4.41Å; I380-F441 HydrophobicContact CG2-CZ 4.09Å; I380-Y448 HydrophobicContact CB-CE2 4.4Å; I380-Y448 HydrophobicContact CD1-CE1 4.02Å; I380-Y448 HydrophobicContact CD1-CE2 4.12Å; I380-Y448 WeakPolarHBondContact CD1-OH 3.26Å; I380-Y448 HydrophobicContact CG1-CE1 4.21Å; I380-Y448 HydrophobicContact CG1-CE2 4.08Å; I380-Y448 HydrophobicContact CG2-CD2 3.78Å; I380-Y448 HydrophobicContact CG2-CE2 3.38Å
381	I	89.3	Confident	82	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-43.7	174.9	-72.4	162.6	0	0	0	110.6	I377 K378 K379 W384 F385 F401 I405 V417 V419 L422 L439	I377-I381 HydrophobicContact CG2-CD1 3.63Å; I377-I381 HydrophobicContact CG2-CG1 4.46Å; I377-I381 WeakPolarHBondContact O-CB 3.4Å; I377-I381 WeakPolarHBondContact O-CD1 3.31Å; I377-I381 VanDerWaalsContact O-CG1 3.3Å; I377-I381 WeakPolarHBondContact O-CG1 3.38Å; I377-I381 PolarHBondContact O-N 3.28Å; K378-I381 PolarHBondContact O-N 2.86Å; K379-I381 PolarHBondContact O-N 3.47Å; I381-W384 WeakPolarHBondContact O-CB 3.35Å; I381-W384 PolarHBondContact O-N 3.09Å; I381-W384 VanDerWaalsContact O-N 3.15Å; I381-F385 HydrophobicContact CG2-CD2 3.82Å; I381-F385 HydrophobicContact CG2-CE2 3.65Å; I381-F385 WeakPolarHBondContact O-CD2 3.47Å; I381-F385 PolarHBondContact O-N 2.91Å; I381-F401 HydrophobicContact CB-CD2 4.32Å; I381-F401 HydrophobicContact CB-CE2 3.84Å; I381-F401 HydrophobicContact CD1-CE2 4.44Å; I381-F401 HydrophobicContact CG2-CD2 3.5Å; I381-F401 HydrophobicContact CG2-CE2 3.52Å; I381-F401 HydrophobicContact CG2-CG 4.47Å; I381-F401 HydrophobicContact CG2-CZ 4.49Å; I381-I405 HydrophobicContact CD1-CD1 3.56Å; I381-I405 HydrophobicContact CD1-CG1 3.81Å; I381-I405 HydrophobicContact CD1-CG2 4.24Å; I381-V417 HydrophobicContact CD1-CG2 4.35Å; I381-V419 HydrophobicContact CD1-CG2 3.72Å; I381-V419 HydrophobicContact CG1-CG2 4.08Å; I381-V419 HydrophobicContact CG2-CB 4.48Å; I381-V419 HydrophobicContact CG2-CG2 3.84Å; I381-L422 HydrophobicContact CG2-CD1 4.48Å; I381-L439 HydrophobicContact CG1-CD1 3.83Å
382	Q	85.6	Confident	80.8	Confident	79 Å²	79	45.2 Å²	45.2	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-44.5	175.4	177.7	172.1	15.8	0	0	111.3	K378 K379 I380 W384 F385 N386 L398 F401	K378-Q382 WeakPolarHBondContact O-CB 3.3Å; K378-Q382 PolarHBondContact O-N 3.45Å; K379-Q382 WeakPolarHBondContact O-CB 3.36Å; K379-Q382 PolarHBondContact O-N 3.5Å; I380-Q382 VanDerWaalsContact C-N 3.32Å; I380-Q382 PolarHBondContact O-N 3.16Å; Q382-W384 VanDerWaalsContact C-N 3.27Å; Q382-W384 PolarHBondContact O-N 3.35Å; Q382-F385 PolarHBondContact O-N 3.5Å; Q382-N386 PolarHBondContact O-N 2.87Å; Q382-N386 PolarHBondContact O-ND2 3.34Å; Q382-N386 PolarHBondContact O-OD1 2.79Å; Q382-L398 HydrophobicContact CB-CD2 3.99Å; Q382-L398 HydrophobicContact CG-CD1 3.84Å; Q382-L398 HydrophobicContact CG-CD2 3.75Å; Q382-L398 HydrophobicContact CG-CG 4.49Å; Q382-F401 HydrophobicContact CB-CZ 4.4Å
383	E	87.3	Confident	79.8	Confident	62 Å²	62	45 Å²	45	29%	0.29	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-39.2	173.1	-72.6	177.5	-167.8	0	0	112.1	K379 I380 N386 R387	K379-E383 VanDerWaalsContact CE-OE1 3.23Å; K379-E383 WeakPolarHBondContact CE-OE1 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.44Å; K379-E383 PolarHBondContact O-N 2.89Å; I380-E383 WeakPolarHBondContact O-CB 3.49Å; I380-E383 PolarHBondContact O-N 3.09Å; E383-N386 WeakPolarHBondContact O-CB 3.37Å; E383-N386 PolarHBondContact O-N 3.33Å; E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.97Å
384	W	86.8	Confident	78.6	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-38.5	176.3	-111.3	-104.8	0	0	0	113.5	I380 I381 Q382 N386 R387 L422 E426 L439 Y448 Q450	I380-W384 HydrophobicContact CG2-CE3 3.84Å; I380-W384 HydrophobicContact CG2-CZ3 3.91Å; I380-W384 PolarHBondContact O-N 3.37Å; I381-W384 WeakPolarHBondContact O-CB 3.35Å; I381-W384 PolarHBondContact O-N 3.09Å; I381-W384 VanDerWaalsContact O-N 3.15Å; Q382-W384 VanDerWaalsContact C-N 3.27Å; Q382-W384 PolarHBondContact O-N 3.35Å; W384-N386 VanDerWaalsContact C-N 3.29Å; W384-R387 PolarHBondContact O-N 3.41Å; W384-L422 HydrophobicContact CB-CD1 3.76Å; W384-L422 HydrophobicContact CB-CD2 4.39Å; W384-L422 HydrophobicContact CB-CG 4.3Å; W384-E426 VanDerWaalsContact CH2-OE1 3.31Å; W384-E426 WeakPolarHBondContact CH2-OE1 3.32Å; W384-E426 HydrophobicContact CZ2-CG 4.2Å; W384-E426 WeakPolarHBondContact CZ2-OE1 3.04Å; W384-L439 HydrophobicContact CD2-CD1 4.47Å; W384-L439 HydrophobicContact CD2-CD2 3.86Å; W384-L439 HydrophobicContact CE3-CD2 4.29Å; W384-L439 HydrophobicContact CG-CD1 4.41Å; W384-L439 HydrophobicContact CG-CD2 4.29Å; W384-L439 HydrophobicContact CH2-CD2 4.32Å; W384-L439 HydrophobicContact CZ2-CD2 3.89Å; W384-Y448 HydrophobicContact CH2-CE2 4.03Å; W384-Y448 AromaticContact CZ3-CE2 3.8Å; W384-Y448 HydrophobicContact CZ3-CE2 3.8Å; W384-Q450 HydrophobicContact CZ2-CB 3.93Å
385	F	84.6	Confident	77.6	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-41.7	171.6	-82.9	-60.2	0	0	0	111.2	I381 Q382 R387 G388 L389 L397 L398 F401 V419 K421 L422	I381-F385 HydrophobicContact CG2-CD2 3.82Å; I381-F385 HydrophobicContact CG2-CE2 3.65Å; I381-F385 WeakPolarHBondContact O-CD2 3.47Å; I381-F385 PolarHBondContact O-N 2.91Å; Q382-F385 PolarHBondContact O-N 3.5Å; F385-R387 PolarHBondContact O-N 3.03Å; F385-G388 PolarHBondContact O-N 2.93Å; F385-G388 VanDerWaalsContact O-N 3.11Å; F385-L389 HydrophobicContact CD1-CD1 3.72Å; F385-L389 HydrophobicContact CE1-CD1 4.43Å; F385-L389 PolarHBondContact O-N 3.24Å; F385-L397 HydrophobicContact CE1-CD1 4.42Å; F385-L398 HydrophobicContact CD2-CD2 4.23Å; F385-F401 HydrophobicContact CE2-CB 4.18Å; F385-F401 HydrophobicContact CE2-CG 4.47Å; F385-V419 HydrophobicContact CE2-CG1 3.97Å; F385-V419 HydrophobicContact CZ-CB 4.46Å; F385-V419 HydrophobicContact CZ-CG1 3.8Å; F385-K421 HydrophobicContact CE1-CB 4.48Å; F385-L422 HydrophobicContact CD1-CD1 3.7Å; F385-L422 HydrophobicContact CD2-CD1 3.77Å; F385-L422 HydrophobicContact CE1-CB 4.39Å; F385-L422 HydrophobicContact CE1-CD1 3.76Å; F385-L422 HydrophobicContact CE2-CD1 3.83Å; F385-L422 HydrophobicContact CG-CD1 3.71Å; F385-L422 HydrophobicContact CZ-CB 4.37Å; F385-L422 HydrophobicContact CZ-CD1 3.82Å
386	N	82.2	Confident	76.6	Confident	74 Å²	74	48 Å²	48	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-25.8	178.2	-63.3	-15.7	0	0	0	113.2	Q382 E383 W384 I394	Q382-N386 PolarHBondContact O-N 2.87Å; Q382-N386 PolarHBondContact O-ND2 3.34Å; Q382-N386 PolarHBondContact O-OD1 2.79Å; E383-N386 WeakPolarHBondContact O-CB 3.37Å; E383-N386 PolarHBondContact O-N 3.33Å; W384-N386 VanDerWaalsContact C-N 3.29Å; N386-I394 HydrophobicContact CB-CD1 4.44Å; N386-I394 WeakPolarHBondContact OD1-CD1 3.5Å
387	R	81.9	Confident	75.4	Confident	98 Å²	98	48.1 Å²	48.1	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-76.8	-30.2	176.9	-66.1	170	-172	-153.4	6.7	113.5	E383 W384 F385 F424 E426	E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.97Å; W384-R387 PolarHBondContact O-N 3.41Å; F385-R387 PolarHBondContact O-N 3.03Å; R387-F424 HydrophobicContact CB-CB 4.42Å; R387-F424 HydrophobicContact CB-CD1 3.61Å; R387-F424 HydrophobicContact CB-CD2 4.09Å; R387-F424 HydrophobicContact CB-CE1 3.78Å; R387-F424 HydrophobicContact CB-CE2 4.21Å; R387-F424 HydrophobicContact CB-CG 3.75Å; R387-F424 HydrophobicContact CB-CZ 4.06Å; R387-F424 HydrophobicContact CG-CD1 4.47Å; R387-F424 HydrophobicContact CG-CE1 4.43Å; R387-F424 VanDerWaalsContact O-CD2 3.28Å; R387-F424 WeakPolarHBondContact O-CD2 3.41Å; R387-F424 VanDerWaalsContact O-CE2 3.25Å; R387-F424 WeakPolarHBondContact O-CE2 3.36Å; R387-E426 IonicContact CZ-OE1 2.79Å; R387-E426 IonicContact NH1-OE1 3.94Å; R387-E426 PolarHBondContact NH1-OE1 2.87Å
388	G	68.7	Low	74.3	Confident	22 Å²	22	49.7 Å²	49.7	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-105.4	-9.2	-168.6	0	0	0	0	0	116.5	F385 S431	F385-G388 PolarHBondContact O-N 2.93Å; F385-G388 VanDerWaalsContact O-N 3.11Å; G388-S431 VanDerWaalsContact CA-OG 3.26Å; G388-S431 WeakPolarHBondContact CA-OG 3.4Å; G388-S431 PolarHBondContact O-OG 2.94Å
389	L	67.3	Low	73	Confident	53 Å²	53	54.7 Å²	54.7	28%	0.277	27%	0.272	S	S	.	.	S	Bend	trans	-135.7	151.7	-169.5	-63.6	172.6	0	0	0	111.1	F385 K393 I394 L397	F385-L389 HydrophobicContact CD1-CD1 3.72Å; F385-L389 HydrophobicContact CE1-CD1 4.43Å; F385-L389 PolarHBondContact O-N 3.24Å; L389-K393 HydrophobicContact CB-CB 4.49Å; L389-I394 HydrophobicContact CB-CD1 4.4Å; L389-I394 HydrophobicContact CB-CG1 3.83Å; L389-L397 HydrophobicContact CD1-CD1 3.32Å
390	S	58.8	Low	71.8	Confident	23 Å²	23	53.5 Å²	53.5	16%	0.161	27%	0.271	C	S	.	.			trans	-73.9	154.4	169.4	54	0	0	0	0	111.2	E392 K393 I394 A501 V503	S390-E392 VanDerWaalsContact C-N 3.29Å; S390-E392 PolarHBondContact O-N 3.47Å; S390-E392 VanDerWaalsContact O-N 3.12Å; S390-K393 PolarHBondContact O-N 3.43Å; S390-K393 VanDerWaalsContact O-N 3.1Å; S390-I394 WeakPolarHBondContact O-CG1 3.49Å; S390-I394 PolarHBondContact O-N 3.21Å; S390-A501 WeakPolarHBondContact CA-O 3.35Å; S390-A501 VanDerWaalsContact CB-O 3.26Å; S390-A501 WeakPolarHBondContact CB-O 3.43Å; S390-V503 WeakPolarHBondContact OG-CB 3.19Å
391	H	58.9	Low	70.7	Confident	84 Å²	84	54.2 Å²	54.2	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-52.9	-38.9	-171.4	-105.2	-35.5	0	0	0	115.4	I394 S500 A501 F502	H391-I394 WeakPolarHBondContact O-CB 3.5Å; H391-I394 PolarHBondContact O-N 3.24Å; H391-S500 WeakPolarHBondContact CD2-CB 3.06Å; H391-A501 PolarHBondContact N-O 3.43Å; H391-F502 HydrophobicContact CB-CD1 3.49Å; H391-F502 VanDerWaalsContact CB-CD1 3.49Å; H391-F502 HydrophobicContact CB-CD2 4.07Å; H391-F502 HydrophobicContact CB-CE1 3.42Å; H391-F502 VanDerWaalsContact CB-CE1 3.42Å; H391-F502 HydrophobicContact CB-CE2 4.02Å; H391-F502 HydrophobicContact CB-CG 3.82Å; H391-F502 HydrophobicContact CB-CZ 3.69Å; H391-F502 AromaticContact CD2-CE2 3.62Å; H391-F502 AromaticContact CD2-CZ 3.54Å; H391-F502 AromaticContact CG-CZ 3.89Å
392	E	57.2	Low	69.3	Low	46 Å²	46	55 Å²	55	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-72.8	-28	-177.3	-89.5	144.7	-175.1	0	0	114	S390 I394 F502 V503 T504	S390-E392 VanDerWaalsContact C-N 3.29Å; S390-E392 PolarHBondContact O-N 3.47Å; S390-E392 VanDerWaalsContact O-N 3.12Å; E392-I394 VanDerWaalsContact C-N 3.3Å; E392-F502 HydrophobicContact CG-CB 4.47Å; E392-F502 HydrophobicContact CG-CD1 3.72Å; E392-F502 WeakPolarHBondContact OE1-CD1 3.06Å; E392-F502 WeakPolarHBondContact OE2-CB 3.2Å; E392-V503 WeakPolarHBondContact CB-O 2.97Å; E392-V503 WeakPolarHBondContact OE2-CA 3.5Å; E392-V503 PolarHBondContact OE2-N 2.8Å; E392-T504 HydrophobicContact CG-CG2 4.46Å; E392-T504 WeakPolarHBondContact OE1-CG2 3.31Å; E392-T504 WeakPolarHBondContact OE2-CA 3.21Å; E392-T504 WeakPolarHBondContact OE2-CB 3.22Å; E392-T504 WeakPolarHBondContact OE2-CG2 3.44Å; E392-T504 PolarHBondContact OE2-N 3.17Å
393	K	63	Low	68.4	Low	80 Å²	80	57 Å²	57	35%	0.348	30%	0.295	S	S	.	.	H	α-helix	trans	-74.9	-23.1	171.9	-72.6	-179.1	-179.1	175.1	0	112.5	L389 S390 S396 L397	L389-K393 HydrophobicContact CB-CB 4.49Å; S390-K393 PolarHBondContact O-N 3.43Å; S390-K393 VanDerWaalsContact O-N 3.1Å; K393-S396 PolarHBondContact O-OG 3.21Å; K393-L397 WeakPolarHBondContact O-CD1 3.37Å
394	I	59.6	Low	67.7	Low	8 Å²	8	56.9 Å²	56.9	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-70.3	-43.4	-175.8	-68	171.2	0	0	0	110.6	N386 L389 S390 H391 E392 S396 L397 L398	N386-I394 HydrophobicContact CB-CD1 4.44Å; N386-I394 WeakPolarHBondContact OD1-CD1 3.5Å; L389-I394 HydrophobicContact CB-CD1 4.4Å; L389-I394 HydrophobicContact CB-CG1 3.83Å; S390-I394 WeakPolarHBondContact O-CG1 3.49Å; S390-I394 PolarHBondContact O-N 3.21Å; H391-I394 WeakPolarHBondContact O-CB 3.5Å; H391-I394 PolarHBondContact O-N 3.24Å; E392-I394 VanDerWaalsContact C-N 3.3Å; I394-S396 PolarHBondContact O-N 3.46Å; I394-L397 PolarHBondContact O-N 3.25Å; I394-L398 HydrophobicContact CG2-CD1 3.23Å; I394-L398 HydrophobicContact CG2-CG 3.61Å; I394-L398 WeakPolarHBondContact O-CB 3.48Å; I394-L398 VanDerWaalsContact O-CG 3.32Å; I394-L398 WeakPolarHBondContact O-CG 3.33Å; I394-L398 PolarHBondContact O-N 3.49Å
395	S	63.2	Low	67.4	Low	87 Å²	87	57 Å²	57	61%	0.608	30%	0.295	S	S	*	.	H	α-helix	trans	-58.6	-42.9	-175.5	-63.5	0	0	0	0	113.5	Y399	S395-Y399 PolarHBondContact O-N 2.96Å
396	S	67	Low	67.2	Low	63 Å²	63	62 Å²	62	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-34.3	179.4	64.5	0	0	0	0	113	K393 I394 L508	K393-S396 PolarHBondContact O-OG 3.21Å; I394-S396 PolarHBondContact O-N 3.46Å; S396-L508 WeakPolarHBondContact OG-CD1 3.43Å
397	L	63.9	Low	66.9	Low	20 Å²	20	60 Å²	60	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-75.1	-38.5	177.3	-73.5	164.8	0	0	0	111.7	F385 L389 K393 I394 F401 K421	F385-L397 HydrophobicContact CE1-CD1 4.42Å; L389-L397 HydrophobicContact CD1-CD1 3.32Å; K393-L397 WeakPolarHBondContact O-CD1 3.37Å; I394-L397 PolarHBondContact O-N 3.25Å; L397-F401 WeakPolarHBondContact O-CB 3.02Å; L397-F401 PolarHBondContact O-N 2.91Å; L397-K421 HydrophobicContact CD2-CD 3.57Å
398	L	65.9	Low	66.5	Low	35 Å²	35	59 Å²	59	18%	0.183	31%	0.311	C	S	.	.	H	α-helix	trans	-73	-27	-177.8	-71.3	-176.7	0	0	0	113.5	Q382 F385 I394 N400 F401	Q382-L398 HydrophobicContact CB-CD2 3.99Å; Q382-L398 HydrophobicContact CG-CD1 3.84Å; Q382-L398 HydrophobicContact CG-CD2 3.75Å; Q382-L398 HydrophobicContact CG-CG 4.49Å; F385-L398 HydrophobicContact CD2-CD2 4.23Å; I394-L398 HydrophobicContact CG2-CD1 3.23Å; I394-L398 HydrophobicContact CG2-CG 3.61Å; I394-L398 WeakPolarHBondContact O-CB 3.48Å; I394-L398 VanDerWaalsContact O-CG 3.32Å; I394-L398 WeakPolarHBondContact O-CG 3.33Å; I394-L398 PolarHBondContact O-N 3.49Å; L398-N400 PolarHBondContact O-N 2.79Å; L398-F401 HydrophobicContact CB-CD1 4.33Å; L398-F401 HydrophobicContact CD2-CD1 3.61Å; L398-F401 HydrophobicContact CD2-CE1 3.76Å; L398-F401 HydrophobicContact CD2-CG 4.37Å; L398-F401 WeakPolarHBondContact O-CD1 3.46Å; L398-F401 PolarHBondContact O-N 3.32Å
399	Y	61.6	Low	66.6	Low	192 Å²	192	59.9 Å²	59.9	75%	0.753	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.3	-174.6	-171.3	-104.9	0	0	0	113.5	S395	S395-Y399 PolarHBondContact O-N 2.96Å
400	N	63.2	Low	66.7	Low	90 Å²	90	61.8 Å²	61.8	48%	0.481	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	27.6	174.9	-87.8	-40.7	0	0	0	114.4	L398 G402 N403	L398-N400 PolarHBondContact O-N 2.79Å; N400-G402 PolarHBondContact O-N 3.31Å; N400-G402 VanDerWaalsContact O-N 3.12Å; N400-N403 PolarHBondContact O-N 2.67Å
401	F	68.5	Low	66.4	Low	17 Å²	17	64 Å²	64	8%	0.075	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-61.9	-25.5	-177.7	80.9	-89	0	0	0	112.9	K378 I381 Q382 F385 L397 L398 N403 Q404 I405	K378-F401 HydrophobicContact CB-CE2 4.05Å; K378-F401 HydrophobicContact CB-CZ 3.74Å; K378-F401 HydrophobicContact CG-CE2 4Å; K378-F401 HydrophobicContact CG-CZ 4.02Å; K378-F401 VanDerWaalsContact O-CZ 3.26Å; K378-F401 WeakPolarHBondContact O-CZ 2.96Å; I381-F401 HydrophobicContact CB-CD2 4.32Å; I381-F401 HydrophobicContact CB-CE2 3.84Å; I381-F401 HydrophobicContact CD1-CE2 4.44Å; I381-F401 HydrophobicContact CG2-CD2 3.5Å; I381-F401 HydrophobicContact CG2-CE2 3.52Å; I381-F401 HydrophobicContact CG2-CG 4.47Å; I381-F401 HydrophobicContact CG2-CZ 4.49Å; Q382-F401 HydrophobicContact CB-CZ 4.4Å; F385-F401 HydrophobicContact CE2-CB 4.18Å; F385-F401 HydrophobicContact CE2-CG 4.47Å; L397-F401 WeakPolarHBondContact O-CB 3.02Å; L397-F401 PolarHBondContact O-N 2.91Å; L398-F401 HydrophobicContact CB-CD1 4.33Å; L398-F401 HydrophobicContact CD2-CD1 3.61Å; L398-F401 HydrophobicContact CD2-CE1 3.76Å; L398-F401 HydrophobicContact CD2-CG 4.37Å; L398-F401 WeakPolarHBondContact O-CD1 3.46Å; L398-F401 PolarHBondContact O-N 3.32Å; F401-N403 PolarHBondContact O-N 2.88Å; F401-Q404 WeakPolarHBondContact O-CA 3.3Å; F401-Q404 WeakPolarHBondContact O-CB 3.36Å; F401-Q404 PolarHBondContact O-N 3.04Å; F401-I405 HydrophobicContact CD2-CD1 4.35Å; F401-I405 HydrophobicContact CD2-CG1 4.35Å; F401-I405 HydrophobicContact CE2-CD1 4.19Å; F401-I405 PolarHBondContact O-N 3.45Å
402	G	60.3	Low	66.6	Low	16 Å²	16	68.4 Å²	68.4	17%	0.165	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36.2	177.3	0	0	0	0	0	112.8	N400 Q404 I405	N400-G402 PolarHBondContact O-N 3.31Å; N400-G402 VanDerWaalsContact O-N 3.12Å; G402-Q404 VanDerWaalsContact C-N 3.27Å; G402-Q404 PolarHBondContact O-N 2.69Å; G402-I405 WeakPolarHBondContact O-CG1 3.42Å
403	N	65.9	Low	66.9	Low	122 Å²	122	67 Å²	67	65%	0.652	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-80	-8.8	177.9	-62.8	-8.2	0	0	0	112.9	N400 F401	N400-N403 PolarHBondContact O-N 2.67Å; F401-N403 PolarHBondContact O-N 2.88Å
404	Q	73.6	Confident	67.2	Low	60 Å²	60	66.8 Å²	66.8	28%	0.28	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-100.1	-0.3	178.4	-59.3	176.6	35.6	0	0	112.4	F401 G402 K406 V419	F401-Q404 WeakPolarHBondContact O-CA 3.3Å; F401-Q404 WeakPolarHBondContact O-CB 3.36Å; F401-Q404 PolarHBondContact O-N 3.04Å; G402-Q404 VanDerWaalsContact C-N 3.27Å; G402-Q404 PolarHBondContact O-N 2.69Å; Q404-K406 PolarHBondContact O-N 3.1Å; Q404-V419 HydrophobicContact CB-CG1 4.07Å
405	I	80.9	Confident	68.2	Low	3 Å²	3	66.4 Å²	66.4	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	109.1	176.2	-54.5	178.6	0	0	0	108.3	L366 K378 I381 F401 G402 V417 V419	L366-I405 HydrophobicContact CD1-CB 3.78Å; L366-I405 HydrophobicContact CD1-CG2 3.83Å; L366-I405 HydrophobicContact CD2-CG2 4.45Å; K378-I405 HydrophobicContact CG-CD1 4.01Å; I381-I405 HydrophobicContact CD1-CD1 3.56Å; I381-I405 HydrophobicContact CD1-CG1 3.81Å; I381-I405 HydrophobicContact CD1-CG2 4.24Å; F401-I405 HydrophobicContact CD2-CD1 4.35Å; F401-I405 HydrophobicContact CD2-CG1 4.35Å; F401-I405 HydrophobicContact CE2-CD1 4.19Å; F401-I405 PolarHBondContact O-N 3.45Å; G402-I405 WeakPolarHBondContact O-CG1 3.42Å; I405-V417 HydrophobicContact CG2-CB 3.99Å; I405-V417 HydrophobicContact CG2-CG1 4.1Å; I405-V419 HydrophobicContact CG1-CG2 4.1Å
406	K	79.9	Confident	69.1	Low	108 Å²	108	62.7 Å²	62.7	47%	0.47	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.2	175	-66.2	178.4	176.7	174.5	0	108.7	Q404 V408 V417 K418 E420	Q404-K406 PolarHBondContact O-N 3.1Å; K406-V408 PolarHBondContact O-N 2.75Å; K406-V417 CarbonylContact O-C 3.45Å; K406-V417 WeakPolarHBondContact O-CA 3.38Å; K406-K418 PolarHBondContact N-O 3.15Å; K406-K418 PolarHBondContact O-N 3.23Å; K406-E420 IonicContact NZ-OE1 2.56Å; K406-E420 PolarHBondContact NZ-OE1 3.18Å
407	I	76.4	Confident	69.9	Low	33 Å²	33	59.7 Å²	59.7	17%	0.169	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	115.8	169.1	-63.4	174.2	0	0	0	107.5	F365 L366 L415 V417	F365-I407 HydrophobicContact CB-CD1 4Å; F365-I407 HydrophobicContact CD1-CD1 3.63Å; F365-I407 HydrophobicContact CG-CD1 4.21Å; L366-I407 HydrophobicContact CG-CD1 4.05Å; L366-I407 HydrophobicContact CG-CG1 4.39Å; I407-L415 HydrophobicContact CD1-CD1 4.03Å; I407-L415 HydrophobicContact CG1-CD1 4.08Å; I407-L415 HydrophobicContact CG2-CD1 3.75Å; I407-V417 HydrophobicContact CG1-CG1 4.32Å
408	V	72.7	Confident	70.8	Confident	77 Å²	77	61.8 Å²	61.8	47%	0.467	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-36.6	177.2	-177.2	0	0	0	0	110.3	K406 A416 K418 I438	K406-V408 PolarHBondContact O-N 2.75Å; V408-A416 HydrophobicContact CB-CB 4.29Å; V408-A416 PolarHBondContact N-O 2.9Å; V408-K418 HydrophobicContact CG2-CB 3.43Å; V408-K418 VanDerWaalsContact CG2-CB 3.43Å; V408-K418 HydrophobicContact CG2-CD 4.48Å; V408-I438 HydrophobicContact CG1-CD1 4.37Å; V408-I438 HydrophobicContact CG2-CD1 4.45Å
409	S	70.3	Confident	71.6	Confident	41 Å²	41	60.1 Å²	60.1	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	150.1	175.7	63.8	0	0	0	0	111.5	A416	S409-A416 PolarHBondContact N-O 3.45Å; S409-A416 PolarHBondContact O-N 2.95Å; S409-A416 VanDerWaalsContact OG-CB 3.31Å; S409-A416 WeakPolarHBondContact OG-CB 3.44Å
410	F	69.6	Low	72.5	Confident	92 Å²	92	55.2 Å²	55.2	40%	0.404	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.9	163.5	-176.1	-124.3	0	0	0	109.2	F365 K414 L415 L443	F365-F410 HydrophobicContact CE1-CB 4.27Å; F365-F410 AromaticContact CE1-CD1 3.64Å; F365-F410 HydrophobicContact CE1-CD1 3.64Å; F365-F410 HydrophobicContact CE1-CE1 4.15Å; F365-F410 HydrophobicContact CE1-CG 4.03Å; F365-F410 AromaticContact CZ-CD1 3.42Å; F365-F410 HydrophobicContact CZ-CD1 3.42Å; F365-F410 VanDerWaalsContact CZ-CD1 3.42Å; F365-F410 AromaticContact CZ-CE1 3.88Å; F365-F410 HydrophobicContact CZ-CE1 3.88Å; F365-F410 HydrophobicContact CZ-CG 4.22Å; F410-K414 WeakPolarHBondContact CA-O 3.47Å; F410-L415 HydrophobicContact CB-CD1 4.06Å; F410-L415 HydrophobicContact CD2-CB 3.72Å; F410-L415 HydrophobicContact CD2-CD1 3.9Å; F410-L415 HydrophobicContact CD2-CG 4.41Å; F410-L415 HydrophobicContact CE2-CB 4.13Å; F410-L415 HydrophobicContact CG-CD1 4.25Å; F410-L443 HydrophobicContact CE2-CD1 3.89Å; F410-L443 HydrophobicContact CZ-CD1 4.32Å
411	N	53.2	Low	73.2	Confident	71 Å²	71	56.6 Å²	56.6	38%	0.38	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137.4	-174.9	-169.9	-6.4	0	0	0	111	G413 K414	N411-G413 PolarHBondContact O-N 3.08Å; N411-K414 PolarHBondContact N-O 2.86Å; N411-K414 WeakPolarHBondContact O-CB 3.4Å; N411-K414 PolarHBondContact O-N 3.38Å
412	K	62.2	Low	74	Confident	175 Å²	175	55.9 Å²	55.9	76%	0.761	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	44.8	180	-68.5	172.9	-176.4	-172	0	112.1	K414 I444	K412-K414 PolarHBondContact O-N 2.86Å; K412-I444 VanDerWaalsContact O-CD1 3.29Å; K412-I444 WeakPolarHBondContact O-CD1 3.26Å
413	G	63.4	Low	75.3	Confident	18 Å²	18	58.5 Å²	58.5	19%	0.186	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	6.5	-178.3	0	0	0	0	0	115.9	N411 L443	N411-G413 PolarHBondContact O-N 3.08Å; G413-L443 WeakPolarHBondContact O-CB 3.42Å; G413-L443 WeakPolarHBondContact O-CG 3.48Å; G413-L443 PolarHBondContact O-N 3.18Å
414	K	69.7	Low	76.3	Confident	75 Å²	75	53.6 Å²	53.6	33%	0.326	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.8	176.6	-57.2	-170.6	-173.2	-150.3	0	111.1	F410 N411 K412 V440 F441 D442	F410-K414 WeakPolarHBondContact CA-O 3.47Å; N411-K414 PolarHBondContact N-O 2.86Å; N411-K414 WeakPolarHBondContact O-CB 3.4Å; N411-K414 PolarHBondContact O-N 3.38Å; K412-K414 PolarHBondContact O-N 2.86Å; K414-V440 HydrophobicContact CB-CG1 4.27Å; K414-F441 CarbonylContact C-O 3.48Å; K414-F441 WeakPolarHBondContact CA-O 3.49Å; K414-D442 WeakPolarHBondContact CE-OD2 3.4Å; K414-D442 HydrophobicContact CG-CB 4.27Å; K414-D442 IonicContact NZ-OD2 2.57Å; K414-D442 PolarHBondContact NZ-OD2 3.07Å
415	L	81.4	Confident	76.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.1	176	179.5	67.1	0	0	0	109.9	L369 I377 I407 F410 V417 V440 F441	L369-L415 HydrophobicContact CD1-CD2 3.58Å; I377-L415 HydrophobicContact CD1-CD2 3.55Å; I407-L415 HydrophobicContact CD1-CD1 4.03Å; I407-L415 HydrophobicContact CG1-CD1 4.08Å; I407-L415 HydrophobicContact CG2-CD1 3.75Å; F410-L415 HydrophobicContact CB-CD1 4.06Å; F410-L415 HydrophobicContact CD2-CB 3.72Å; F410-L415 HydrophobicContact CD2-CD1 3.9Å; F410-L415 HydrophobicContact CD2-CG 4.41Å; F410-L415 HydrophobicContact CE2-CB 4.13Å; F410-L415 HydrophobicContact CG-CD1 4.25Å; L415-V417 HydrophobicContact CD1-CG1 4.45Å; L415-V417 HydrophobicContact CD2-CG1 4.32Å; L415-V417 HydrophobicContact CG-CG1 4.02Å; L415-V440 CarbonylContact O-C 3.6Å; L415-V440 WeakPolarHBondContact O-CA 3.46Å; L415-F441 HydrophobicContact CB-CB 4.33Å; L415-F441 PolarHBondContact N-O 3.21Å; L415-F441 PolarHBondContact O-N 3.11Å
416	A	81.4	Confident	76.8	Confident	8 Å²	8	52.4 Å²	52.4	7%	0.066	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.8	174.4	0	0	0	0	0	109.9	V408 S409 I438 L439 V440	V408-A416 HydrophobicContact CB-CB 4.29Å; V408-A416 PolarHBondContact N-O 2.9Å; S409-A416 PolarHBondContact N-O 3.45Å; S409-A416 PolarHBondContact O-N 2.95Å; S409-A416 VanDerWaalsContact OG-CB 3.31Å; S409-A416 WeakPolarHBondContact OG-CB 3.44Å; A416-I438 HydrophobicContact CB-CG2 3.88Å; A416-L439 CarbonylContact C-O 3.6Å; A416-L439 WeakPolarHBondContact CA-O 3.19Å; A416-V440 HydrophobicContact CB-CG2 4.2Å
417	V	83.9	Confident	76.7	Confident	1 Å²	1	51 Å²	51	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.6	178.3	-57.4	0	0	0	0	110.9	I377 I381 I405 K406 I407 L415 I438 L439 F441	I377-V417 HydrophobicContact CG2-CG2 4.42Å; I381-V417 HydrophobicContact CD1-CG2 4.35Å; I405-V417 HydrophobicContact CG2-CB 3.99Å; I405-V417 HydrophobicContact CG2-CG1 4.1Å; K406-V417 CarbonylContact O-C 3.45Å; K406-V417 WeakPolarHBondContact O-CA 3.38Å; I407-V417 HydrophobicContact CG1-CG1 4.32Å; L415-V417 HydrophobicContact CD1-CG1 4.45Å; L415-V417 HydrophobicContact CD2-CG1 4.32Å; L415-V417 HydrophobicContact CG-CG1 4.02Å; V417-I438 WeakPolarHBondContact O-CA 3.42Å; V417-L439 HydrophobicContact CG2-CB 3.91Å; V417-L439 PolarHBondContact N-O 2.99Å; V417-L439 PolarHBondContact O-N 3.17Å; V417-F441 HydrophobicContact CG2-CD2 4.22Å; V417-F441 HydrophobicContact CG2-CE2 3.66Å
418	K	82.6	Confident	76.7	Confident	64 Å²	64	51.9 Å²	51.9	28%	0.278	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.4	173.5	177.8	-177.8	172.8	-171	0	108.1	K406 V408 L453	K406-K418 PolarHBondContact N-O 3.15Å; K406-K418 PolarHBondContact O-N 3.23Å; V408-K418 HydrophobicContact CG2-CB 3.43Å; V408-K418 VanDerWaalsContact CG2-CB 3.43Å; V408-K418 HydrophobicContact CG2-CD 4.48Å; K418-L453 HydrophobicContact CD-CD1 4.35Å
419	V	83.3	Confident	77	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.8	171.6	-170.4	0	0	0	0	107.7	I381 F385 Q404 I405 L422	I381-V419 HydrophobicContact CD1-CG2 3.72Å; I381-V419 HydrophobicContact CG1-CG2 4.08Å; I381-V419 HydrophobicContact CG2-CB 4.48Å; I381-V419 HydrophobicContact CG2-CG2 3.84Å; F385-V419 HydrophobicContact CE2-CG1 3.97Å; F385-V419 HydrophobicContact CZ-CB 4.46Å; F385-V419 HydrophobicContact CZ-CG1 3.8Å; Q404-V419 HydrophobicContact CB-CG1 4.07Å; I405-V419 HydrophobicContact CG1-CG2 4.1Å; V419-L422 HydrophobicContact CB-CB 4.02Å; V419-L422 HydrophobicContact CB-CD2 4.16Å; V419-L422 HydrophobicContact CG2-CD2 4.24Å; V419-L422 VanDerWaalsContact O-CB 3.3Å; V419-L422 WeakPolarHBondContact O-CB 3.49Å; V419-L422 PolarHBondContact O-N 3.45Å
420	E	79.7	Confident	77.6	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.411	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	144.3	174.1	-71.6	-169.7	-174.9	0	0	110.6	K406 L422	K406-E420 IonicContact NZ-OE1 2.56Å; K406-E420 PolarHBondContact NZ-OE1 3.18Å; E420-L422 PolarHBondContact O-N 3.28Å
421	K	79.3	Confident	78.2	Confident	120 Å²	120	55.8 Å²	55.8	52%	0.522	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	1.7	-177.4	-55	171.1	178.5	176.2	0	115.6	F385 L397 R423 H436	F385-K421 HydrophobicContact CE1-CB 4.48Å; L397-K421 HydrophobicContact CD2-CD 3.57Å; K421-R423 WeakPolarHBondContact O-CG 3.5Å; K421-R423 PolarHBondContact O-N 3.3Å; K421-H436 PolarHBondContact N-CD2 2.93Å; K421-H436 PolarHBondContact N-NE2 3.14Å
422	L	84.5	Confident	79.3	Confident	2 Å²	2	53 Å²	53	1%	0.01	25%	0.246	C	C	.	.			trans	-73.8	95.8	166.8	-154.2	68.1	0	0	0	108.7	I381 W384 F385 V419 E420 H436 I437 L439	I381-L422 HydrophobicContact CG2-CD1 4.48Å; W384-L422 HydrophobicContact CB-CD1 3.76Å; W384-L422 HydrophobicContact CB-CD2 4.39Å; W384-L422 HydrophobicContact CB-CG 4.3Å; F385-L422 HydrophobicContact CD1-CD1 3.7Å; F385-L422 HydrophobicContact CD2-CD1 3.77Å; F385-L422 HydrophobicContact CE1-CB 4.39Å; F385-L422 HydrophobicContact CE1-CD1 3.76Å; F385-L422 HydrophobicContact CE2-CD1 3.83Å; F385-L422 HydrophobicContact CG-CD1 3.71Å; F385-L422 HydrophobicContact CZ-CB 4.37Å; F385-L422 HydrophobicContact CZ-CD1 3.82Å; V419-L422 HydrophobicContact CB-CB 4.02Å; V419-L422 HydrophobicContact CB-CD2 4.16Å; V419-L422 HydrophobicContact CG2-CD2 4.24Å; V419-L422 VanDerWaalsContact O-CB 3.3Å; V419-L422 WeakPolarHBondContact O-CB 3.49Å; V419-L422 PolarHBondContact O-N 3.45Å; E420-L422 PolarHBondContact O-N 3.28Å; L422-H436 WeakPolarHBondContact O-CA 3.43Å; L422-I437 HydrophobicContact CB-CG1 4.37Å; L422-I437 HydrophobicContact CD2-CD1 3.51Å; L422-I437 HydrophobicContact CD2-CG1 4.2Å; L422-I437 HydrophobicContact CG-CD1 3.82Å; L422-I437 HydrophobicContact CG-CG1 3.96Å; L422-I437 PolarHBondContact O-N 3.35Å; L422-L439 HydrophobicContact CD2-CD1 4.04Å; L422-L439 HydrophobicContact CD2-CG 4.46Å
423	R	87.1	Confident	79.9	Confident	70 Å²	70	53.9 Å²	53.9	26%	0.264	25%	0.249	S	C	.	.			trans	-125.3	-6.7	-169.2	-59.4	-170.6	-179.8	165.1	4.5	114.6	K421 C425 S431 H432 K433 N435 H436	K421-R423 WeakPolarHBondContact O-CG 3.5Å; K421-R423 PolarHBondContact O-N 3.3Å; R423-C425 PolarHBondContact O-N 3.08Å; R423-C425 VanDerWaalsContact O-N 3.16Å; R423-S431 WeakPolarHBondContact O-CA 3.23Å; R423-H432 VanDerWaalsContact CD-O 3.23Å; R423-H432 WeakPolarHBondContact CD-O 3.49Å; R423-H432 PolarHBondContact O-CD2 3.15Å; R423-H432 PolarHBondContact O-N 3.36Å; R423-K433 PolarHBondContact NH1-O 3.38Å; R423-N435 WeakPolarHBondContact CB-O 3.44Å; R423-N435 WeakPolarHBondContact CD-O 3.43Å; R423-N435 WeakPolarHBondContact CG-O 3.44Å; R423-H436 PolarHBondContact NE-NE2 3.2Å; R423-H436 PolarHBondContact NH2-CE1 3.11Å; R423-H436 PolarHBondContact NH2-NE2 3.48Å
424	F	87.1	Confident	80.5	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	114.4	178.3	-172.6	-94.1	0	0	0	110	R387 E426 N429 I437 Q450	R387-F424 HydrophobicContact CB-CB 4.42Å; R387-F424 HydrophobicContact CB-CD1 3.61Å; R387-F424 HydrophobicContact CB-CD2 4.09Å; R387-F424 HydrophobicContact CB-CE1 3.78Å; R387-F424 HydrophobicContact CB-CE2 4.21Å; R387-F424 HydrophobicContact CB-CG 3.75Å; R387-F424 HydrophobicContact CB-CZ 4.06Å; R387-F424 HydrophobicContact CG-CD1 4.47Å; R387-F424 HydrophobicContact CG-CE1 4.43Å; R387-F424 VanDerWaalsContact O-CD2 3.28Å; R387-F424 WeakPolarHBondContact O-CD2 3.41Å; R387-F424 VanDerWaalsContact O-CE2 3.25Å; R387-F424 WeakPolarHBondContact O-CE2 3.36Å; F424-E426 HydrophobicContact CE1-CG 4.38Å; F424-N429 WeakPolarHBondContact CZ-OD1 3.36Å; F424-I437 WeakPolarHBondContact O-CG2 3.47Å; F424-Q450 PolarHBondContact O-NE2 3.22Å
425	C	83.2	Confident	80.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.8	177.3	174.2	0	0	0	0	109.5	R423 R427 V428 N429 R430 H432 I437 C452	R423-C425 PolarHBondContact O-N 3.08Å; R423-C425 VanDerWaalsContact O-N 3.16Å; C425-R427 VanDerWaalsContact C-N 3.26Å; C425-R427 PolarHBondContact O-N 2.93Å; C425-V428 HydrophobicContact CB-CG2 3.75Å; C425-V428 PolarHBondContact O-N 3.2Å; C425-N429 WeakPolarHBondContact O-CA 3.45Å; C425-N429 PolarHBondContact O-N 3.27Å; C425-R430 PolarHBondContact N-O 3.22Å; C425-R430 VanDerWaalsContact N-O 3.09Å; C425-R430 PolarHBondContact O-N 3.46Å; C425-H432 WeakPolarHBondContact CB-CD2 3.4Å; C425-H432 WeakPolarHBondContact CB-NE2 3.09Å; C425-I437 HydrophobicContact CB-CG2 4.12Å; C425-C452 HydrophobicContact CB-CB 4.47Å; C425-C452 VanDerWaalsContact SG-SG 3.69Å
426	E	81.5	Confident	80.7	Confident	37 Å²	37	56.9 Å²	56.9	17%	0.173	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.1	179.8	-67.4	-168.8	170.3	0	0	112.6	W384 R387 F424 N429 F462 S464	W384-E426 VanDerWaalsContact CH2-OE1 3.31Å; W384-E426 WeakPolarHBondContact CH2-OE1 3.32Å; W384-E426 HydrophobicContact CZ2-CG 4.2Å; W384-E426 WeakPolarHBondContact CZ2-OE1 3.04Å; R387-E426 IonicContact CZ-OE1 2.79Å; R387-E426 IonicContact NH1-OE1 3.94Å; R387-E426 PolarHBondContact NH1-OE1 2.87Å; F424-E426 HydrophobicContact CE1-CG 4.38Å; E426-N429 PolarHBondContact O-N 3.25Å; E426-F462 HydrophobicContact CB-CZ 4.26Å; E426-S464 WeakPolarHBondContact OE2-CB 3.36Å
427	R	78.5	Confident	80.9	Confident	79 Å²	79	56.5 Å²	56.5	30%	0.298	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-51.4	177.6	-170.4	-169.5	164.8	-141.4	-0.4	111.7	C425 D456 L460 F462	C425-R427 VanDerWaalsContact C-N 3.26Å; C425-R427 PolarHBondContact O-N 2.93Å; R427-D456 PolarHBondContact NH1-O 3.46Å; R427-L460 VanDerWaalsContact NE-CD1 3.33Å; R427-F462 HydrophobicContact CB-CD1 3.83Å; R427-F462 HydrophobicContact CB-CD2 3.73Å; R427-F462 HydrophobicContact CB-CE1 3.7Å; R427-F462 HydrophobicContact CB-CE2 3.6Å; R427-F462 HydrophobicContact CB-CG 3.85Å; R427-F462 HydrophobicContact CB-CZ 3.59Å; R427-F462 HydrophobicContact CG-CD2 3.78Å; R427-F462 HydrophobicContact CG-CE2 3.99Å; R427-F462 HydrophobicContact CG-CG 4.1Å; R427-F462 HydrophobicContact CG-CZ 4.47Å
428	V	75.6	Confident	81	Confident	51 Å²	51	57.4 Å²	57.4	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3	-177.6	-61.4	0	0	0	0	112.6	C425 R430 H432	C425-V428 HydrophobicContact CB-CG2 3.75Å; C425-V428 PolarHBondContact O-N 3.2Å; V428-R430 HydrophobicContact CB-CG 4.33Å; V428-R430 HydrophobicContact CG2-CG 3.87Å; V428-R430 PolarHBondContact O-N 3.22Å; V428-H432 WeakPolarHBondContact CG2-NE2 3.31Å
429	N	80	Confident	81.3	Confident	103 Å²	103	54.4 Å²	54.4	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.6	-180	-161.6	47.1	0	0	0	114.1	F424 C425 E426	F424-N429 WeakPolarHBondContact CZ-OD1 3.36Å; C425-N429 WeakPolarHBondContact O-CA 3.45Å; C425-N429 PolarHBondContact O-N 3.27Å; E426-N429 PolarHBondContact O-N 3.25Å
430	R	81.6	Confident	81.2	Confident	147 Å²	147	55 Å²	55	56%	0.555	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.3	162.2	176.3	64.4	-175.2	178.9	91	-0.3	110.4	C425 V428	C425-R430 PolarHBondContact N-O 3.22Å; C425-R430 VanDerWaalsContact N-O 3.09Å; C425-R430 PolarHBondContact O-N 3.46Å; V428-R430 HydrophobicContact CB-CG 4.33Å; V428-R430 HydrophobicContact CG2-CG 3.87Å; V428-R430 PolarHBondContact O-N 3.22Å
431	S	83.1	Confident	81.4	Confident	43 Å²	43	50.8 Å²	50.8	30%	0.301	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.1	168.9	-62.9	0	0	0	0	110.9	G388 R423	G388-S431 VanDerWaalsContact CA-OG 3.26Å; G388-S431 WeakPolarHBondContact CA-OG 3.4Å; G388-S431 PolarHBondContact O-OG 2.94Å; R423-S431 WeakPolarHBondContact O-CA 3.23Å
432	H	77.1	Confident	81.3	Confident	11 Å²	11	45.2 Å²	45.2	5%	0.051	22%	0.218	C	C	.	.			trans	-67.8	148.5	168.3	-68.9	-88.6	0	0	0	110.2	R423 C425 V428 S434 N435 C452 D454	R423-H432 VanDerWaalsContact CD-O 3.23Å; R423-H432 WeakPolarHBondContact CD-O 3.49Å; R423-H432 PolarHBondContact O-CD2 3.15Å; R423-H432 PolarHBondContact O-N 3.36Å; C425-H432 WeakPolarHBondContact CB-CD2 3.4Å; C425-H432 WeakPolarHBondContact CB-NE2 3.09Å; V428-H432 WeakPolarHBondContact CG2-NE2 3.31Å; H432-S434 PolarHBondContact O-N 2.96Å; H432-N435 HydrophobicContact CB-CB 3.92Å; H432-N435 WeakPolarHBondContact CB-O 3.23Å; H432-C452 PolarHBondContact NE2-SG 3.16Å; H432-D454 WeakPolarHBondContact CE1-CB 3.28Å; H432-D454 IonicContact CE1-OD1 2.65Å; H432-D454 IonicContact CE1-OD2 2.77Å; H432-D454 PolarHBondContact CE1-OD2 3.25Å; H432-D454 VanDerWaalsContact CE1-OD2 3.25Å; H432-D454 IonicContact CG-OD2 2.67Å; H432-D454 IonicContact ND1-OD2 3.97Å; H432-D454 PolarHBondContact ND1-OD2 3.32Å
433	K	74.1	Confident	81	Confident	194 Å²	194	46.8 Å²	46.8	84%	0.843	23%	0.226	S	C	*	.	S	Bend	trans	-66.7	-36.9	-178.8	-170.5	173.9	-179	177.1	0	112.3	R423	R423-K433 PolarHBondContact NH1-O 3.38Å
434	S	75.1	Confident	80.2	Confident	74 Å²	74	49.3 Å²	49.3	52%	0.517	24%	0.244	S	C	.	.	S	Bend	trans	-135.9	-30	-176.2	53.1	0	0	0	0	113.9	H432 H436	H432-S434 PolarHBondContact O-N 2.96Å; S434-H436 PolarHBondContact O-CE1 3.12Å; S434-H436 VanDerWaalsContact O-CE1 3.24Å; S434-H436 PolarHBondContact O-ND1 3.25Å
435	N	74.6	Confident	79.3	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.251	27%	0.268	S	S	.	.			trans	-73.8	145.5	-178.8	-63.1	-37.3	0	0	0	111.2	R423 H432 D454	R423-N435 WeakPolarHBondContact CB-O 3.44Å; R423-N435 WeakPolarHBondContact CD-O 3.43Å; R423-N435 WeakPolarHBondContact CG-O 3.44Å; H432-N435 HydrophobicContact CB-CB 3.92Å; H432-N435 WeakPolarHBondContact CB-O 3.23Å; N435-D454 HydrophobicContact CB-CB 3.98Å; N435-D454 PolarHBondContact ND2-OD2 2.75Å
436	H	82.1	Confident	79	Confident	35 Å²	35	54.4 Å²	54.4	16%	0.162	28%	0.275	C	S	.	.			trans	-106	165.2	-178.8	-60.6	81.1	0	0	0	110.4	K421 L422 R423 S434 L453	K421-H436 PolarHBondContact N-CD2 2.93Å; K421-H436 PolarHBondContact N-NE2 3.14Å; L422-H436 WeakPolarHBondContact O-CA 3.43Å; R423-H436 PolarHBondContact NE-NE2 3.2Å; R423-H436 PolarHBondContact NH2-CE1 3.11Å; R423-H436 PolarHBondContact NH2-NE2 3.48Å; S434-H436 PolarHBondContact O-CE1 3.12Å; S434-H436 VanDerWaalsContact O-CE1 3.24Å; S434-H436 PolarHBondContact O-ND1 3.25Å; H436-L453 HydrophobicContact CB-CD1 4.27Å; H436-L453 WeakPolarHBondContact O-CB 3.49Å; H436-L453 WeakPolarHBondContact O-CG 3.32Å; H436-L453 PolarHBondContact O-N 3.28Å
437	I	85	Confident	78.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	162.2	171.4	69.9	83.2	0	0	0	110.3	L422 F424 C425 L439 Q450 K451 C452	L422-I437 HydrophobicContact CB-CG1 4.37Å; L422-I437 HydrophobicContact CD2-CD1 3.51Å; L422-I437 HydrophobicContact CD2-CG1 4.2Å; L422-I437 HydrophobicContact CG-CD1 3.82Å; L422-I437 HydrophobicContact CG-CG1 3.96Å; L422-I437 PolarHBondContact O-N 3.35Å; F424-I437 WeakPolarHBondContact O-CG2 3.47Å; C425-I437 HydrophobicContact CB-CG2 4.12Å; I437-L439 HydrophobicContact CD1-CD2 4.11Å; I437-L439 HydrophobicContact CD1-CG 3.83Å; I437-Q450 HydrophobicContact CB-CG 4.14Å; I437-Q450 HydrophobicContact CD1-CG 4.37Å; I437-K451 WeakPolarHBondContact CA-O 3.35Å; I437-K451 WeakPolarHBondContact CB-O 3.38Å; I437-C452 HydrophobicContact CG2-CB 4.34Å
438	I	85.6	Confident	79.1	Confident	21 Å²	21	50.3 Å²	50.3	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.9	172.1	-64.8	177.8	0	0	0	106.8	V408 A416 V417 V440 Q450 K451 L453	V408-I438 HydrophobicContact CG1-CD1 4.37Å; V408-I438 HydrophobicContact CG2-CD1 4.45Å; A416-I438 HydrophobicContact CB-CG2 3.88Å; V417-I438 WeakPolarHBondContact O-CA 3.42Å; I438-V440 HydrophobicContact CG2-CG2 3.98Å; I438-Q450 CarbonylContact O-C 3.53Å; I438-Q450 WeakPolarHBondContact O-CA 3.43Å; I438-K451 HydrophobicContact CB-CB 4.46Å; I438-K451 PolarHBondContact N-O 3.47Å; I438-K451 PolarHBondContact O-N 3.27Å; I438-K451 VanDerWaalsContact O-O 3.12Å; I438-L453 HydrophobicContact CD1-CD1 4.28Å; I438-L453 HydrophobicContact CD1-CD2 3.64Å; I438-L453 HydrophobicContact CD1-CG 4.11Å; I438-L453 HydrophobicContact CG1-CD1 4.27Å; I438-L453 HydrophobicContact CG1-CD2 4.23Å; I438-L453 HydrophobicContact CG1-CG 4.17Å
439	L	88.5	Confident	79.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.9	166.7	-67.4	170.6	0	0	0	108.1	I380 I381 W384 A416 V417 L422 I437 F441 Q450	I380-L439 HydrophobicContact CG2-CD1 3.99Å; I381-L439 HydrophobicContact CG1-CD1 3.83Å; W384-L439 HydrophobicContact CD2-CD1 4.47Å; W384-L439 HydrophobicContact CD2-CD2 3.86Å; W384-L439 HydrophobicContact CE3-CD2 4.29Å; W384-L439 HydrophobicContact CG-CD1 4.41Å; W384-L439 HydrophobicContact CG-CD2 4.29Å; W384-L439 HydrophobicContact CH2-CD2 4.32Å; W384-L439 HydrophobicContact CZ2-CD2 3.89Å; A416-L439 CarbonylContact C-O 3.6Å; A416-L439 WeakPolarHBondContact CA-O 3.19Å; V417-L439 HydrophobicContact CG2-CB 3.91Å; V417-L439 PolarHBondContact N-O 2.99Å; V417-L439 PolarHBondContact O-N 3.17Å; L422-L439 HydrophobicContact CD2-CD1 4.04Å; L422-L439 HydrophobicContact CD2-CG 4.46Å; I437-L439 HydrophobicContact CD1-CD2 4.11Å; I437-L439 HydrophobicContact CD1-CG 3.83Å; L439-F441 HydrophobicContact CB-CE2 3.79Å; L439-F441 HydrophobicContact CB-CZ 4.36Å; L439-Q450 HydrophobicContact CD2-CB 4.14Å
440	V	81	Confident	79.5	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.8	179.1	-174.9	0	0	0	0	107.8	K414 L415 A416 I438 Y448 Y449 K451	K414-V440 HydrophobicContact CB-CG1 4.27Å; L415-V440 CarbonylContact O-C 3.6Å; L415-V440 WeakPolarHBondContact O-CA 3.46Å; A416-V440 HydrophobicContact CB-CG2 4.2Å; I438-V440 HydrophobicContact CG2-CG2 3.98Å; V440-Y448 CarbonylContact O-C 3.39Å; V440-Y448 WeakPolarHBondContact O-CA 3.38Å; V440-Y448 WeakPolarHBondContact O-CB 3.46Å; V440-Y449 HydrophobicContact CB-CD2 3.94Å; V440-Y449 HydrophobicContact CB-CE1 4.34Å; V440-Y449 HydrophobicContact CB-CE2 3.53Å; V440-Y449 HydrophobicContact CG1-CE1 4.22Å; V440-Y449 HydrophobicContact CG1-CE2 3.9Å; V440-Y449 WeakPolarHBondContact CG1-OH 3.46Å; V440-Y449 HydrophobicContact CG2-CD2 4.35Å; V440-Y449 HydrophobicContact CG2-CE2 3.86Å; V440-Y449 PolarHBondContact N-O 2.94Å; V440-Y449 PolarHBondContact O-N 2.71Å; V440-K451 HydrophobicContact CG2-CG 4.43Å
441	F	84.3	Confident	79.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.8	175.6	-62.1	-97.3	0	0	0	107.9	F376 I377 I380 K414 L415 V417 L439 L443 Y448 I469	F376-F441 HydrophobicContact CD1-CD1 4.43Å; F376-F441 HydrophobicContact CD1-CE1 4.07Å; F376-F441 HydrophobicContact CE1-CD1 4.28Å; F376-F441 AromaticContact CE1-CE1 3.93Å; F376-F441 HydrophobicContact CE1-CE1 3.93Å; I377-F441 HydrophobicContact CB-CE1 4.44Å; I377-F441 HydrophobicContact CB-CE2 4.43Å; I377-F441 HydrophobicContact CB-CZ 4.1Å; I377-F441 HydrophobicContact CG1-CD1 3.99Å; I377-F441 HydrophobicContact CG1-CD2 4.15Å; I377-F441 HydrophobicContact CG1-CE1 3.78Å; I377-F441 HydrophobicContact CG1-CE2 3.95Å; I377-F441 HydrophobicContact CG1-CG 4.18Å; I377-F441 HydrophobicContact CG1-CZ 3.76Å; I377-F441 HydrophobicContact CG2-CE2 4.03Å; I377-F441 HydrophobicContact CG2-CZ 4.05Å; I380-F441 HydrophobicContact CB-CE1 4.29Å; I380-F441 HydrophobicContact CB-CZ 4.11Å; I380-F441 HydrophobicContact CG1-CE1 4.19Å; I380-F441 HydrophobicContact CG2-CE1 4.41Å; I380-F441 HydrophobicContact CG2-CZ 4.09Å; K414-F441 CarbonylContact C-O 3.48Å; K414-F441 WeakPolarHBondContact CA-O 3.49Å; L415-F441 HydrophobicContact CB-CB 4.33Å; L415-F441 PolarHBondContact N-O 3.21Å; L415-F441 PolarHBondContact O-N 3.11Å; V417-F441 HydrophobicContact CG2-CD2 4.22Å; V417-F441 HydrophobicContact CG2-CE2 3.66Å; L439-F441 HydrophobicContact CB-CE2 3.79Å; L439-F441 HydrophobicContact CB-CZ 4.36Å; F441-L443 HydrophobicContact CB-CD2 4.04Å; F441-L443 PolarHBondContact O-N 3.34Å; F441-Y448 VanDerWaalsContact CD1-CB 3.49Å; F441-Y448 HydrophobicContact CD1-CG 4.16Å; F441-Y448 HydrophobicContact CE1-CD2 4.36Å; F441-Y448 HydrophobicContact CE1-CG 4.02Å; F441-I469 HydrophobicContact CB-CD1 4.12Å; F441-I469 HydrophobicContact CD1-CD1 4.09Å
442	D	78.1	Confident	79.2	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	95.2	175	-169.2	-30.1	0	0	0	108.6	K414 I444 N445 G446 C447 Y449	K414-D442 WeakPolarHBondContact CE-OD2 3.4Å; K414-D442 HydrophobicContact CG-CB 4.27Å; K414-D442 IonicContact NZ-OD2 2.57Å; K414-D442 PolarHBondContact NZ-OD2 3.07Å; D442-I444 VanDerWaalsContact C-N 3.27Å; D442-I444 PolarHBondContact O-N 3.23Å; D442-I444 PolarHBondContact OD1-N 3.17Å; D442-N445 HydrophobicContact CB-CB 4.46Å; D442-N445 VanDerWaalsContact CG-ND2 3.26Å; D442-N445 PolarHBondContact OD1-N 2.89Å; D442-N445 VanDerWaalsContact OD1-N 3.12Å; D442-N445 PolarHBondContact OD1-ND2 3.45Å; D442-N445 VanDerWaalsContact OD1-ND2 3.15Å; D442-N445 PolarHBondContact OD2-ND2 2.88Å; D442-G446 PolarHBondContact O-N 3.34Å; D442-C447 WeakPolarHBondContact CA-O 3.25Å; D442-C447 WeakPolarHBondContact CB-O 3.28Å; D442-C447 PolarHBondContact N-O 2.84Å; D442-C447 PolarHBondContact O-N 3.32Å; D442-Y449 HydrophobicContact CB-CE1 4.4Å
443	L	78.9	Confident	79.1	Confident	35 Å²	35	40 Å²	40	18%	0.183	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.3	-172.5	-52.3	-178.1	0	0	0	112.5	L373 F410 G413 F441 I469 L474	L373-L443 HydrophobicContact CD1-CD2 3.82Å; L373-L443 HydrophobicContact CD2-CD1 3.8Å; L373-L443 HydrophobicContact CD2-CD2 3.78Å; L373-L443 HydrophobicContact CD2-CG 4.47Å; L373-L443 HydrophobicContact CG-CD2 4.46Å; F410-L443 HydrophobicContact CE2-CD1 3.89Å; F410-L443 HydrophobicContact CZ-CD1 4.32Å; G413-L443 WeakPolarHBondContact O-CB 3.42Å; G413-L443 WeakPolarHBondContact O-CG 3.48Å; G413-L443 PolarHBondContact O-N 3.18Å; F441-L443 HydrophobicContact CB-CD2 4.04Å; F441-L443 PolarHBondContact O-N 3.34Å; L443-I469 HydrophobicContact CD2-CD1 4.03Å; L443-L474 HydrophobicContact CB-CD2 4.29Å; L443-L474 HydrophobicContact CD2-CD2 4.15Å
444	I	69.1	Low	79.1	Confident	123 Å²	123	31.7 Å²	31.7	63%	0.631	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-47.1	175.9	-65	172.4	0	0	0	109.7	K412 D442 G446	K412-I444 VanDerWaalsContact O-CD1 3.29Å; K412-I444 WeakPolarHBondContact O-CD1 3.26Å; D442-I444 VanDerWaalsContact C-N 3.27Å; D442-I444 PolarHBondContact O-N 3.23Å; D442-I444 PolarHBondContact OD1-N 3.17Å; I444-G446 VanDerWaalsContact C-N 3.25Å; I444-G446 PolarHBondContact O-N 3.06Å
445	N	68.7	Low	78.5	Confident	113 Å²	113	30.9 Å²	30.9	60%	0.604	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.2	179.7	-64.6	-58.6	0	0	0	113.1	D442 C447	D442-N445 HydrophobicContact CB-CB 4.46Å; D442-N445 VanDerWaalsContact CG-ND2 3.26Å; D442-N445 PolarHBondContact OD1-N 2.89Å; D442-N445 VanDerWaalsContact OD1-N 3.12Å; D442-N445 PolarHBondContact OD1-ND2 3.45Å; D442-N445 VanDerWaalsContact OD1-ND2 3.15Å; D442-N445 PolarHBondContact OD2-ND2 2.88Å; N445-C447 VanDerWaalsContact C-N 3.3Å; N445-C447 PolarHBondContact O-N 3.19Å
446	G	77.2	Confident	78	Confident	14 Å²	14	30.6 Å²	30.6	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	39	-179.5	0	0	0	0	0	113.6	D442 I444 I469 L474	D442-G446 PolarHBondContact O-N 3.34Å; I444-G446 VanDerWaalsContact C-N 3.25Å; I444-G446 PolarHBondContact O-N 3.06Å; G446-I469 PolarHBondContact O-N 3.22Å; G446-L474 VanDerWaalsContact CA-CD1 3.41Å
447	C	77.2	Confident	77.2	Confident	18 Å²	18	29 Å²	29	12%	0.122	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.9	-179.7	70.2	0	0	0	0	112.6	D442 N445 M467 I469	D442-C447 WeakPolarHBondContact CA-O 3.25Å; D442-C447 WeakPolarHBondContact CB-O 3.28Å; D442-C447 PolarHBondContact N-O 2.84Å; D442-C447 PolarHBondContact O-N 3.32Å; N445-C447 VanDerWaalsContact C-N 3.3Å; N445-C447 PolarHBondContact O-N 3.19Å; C447-M467 CarbonylContact C-O 3.55Å; C447-M467 WeakPolarHBondContact CA-O 3.36Å; C447-M467 WeakPolarHBondContact CB-O 3.46Å; C447-I469 WeakPolarHBondContact O-CD1 3.3Å
448	Y	83.9	Confident	76.2	Confident	11 Å²	11	33.7 Å²	33.7	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.7	174.7	75	-83.9	0	0	0	111.6	F376 I380 W384 V440 F441 S466 M467 P468 I469	F376-Y448 AromaticContact CE1-CD1 3.87Å; F376-Y448 HydrophobicContact CE1-CD1 3.87Å; F376-Y448 HydrophobicContact CE1-CE1 4.06Å; F376-Y448 AromaticContact CZ-CD1 3.92Å; F376-Y448 HydrophobicContact CZ-CD1 3.92Å; F376-Y448 AromaticContact CZ-CE1 3.66Å; F376-Y448 HydrophobicContact CZ-CE1 3.66Å; I380-Y448 HydrophobicContact CB-CE2 4.4Å; I380-Y448 HydrophobicContact CD1-CE1 4.02Å; I380-Y448 HydrophobicContact CD1-CE2 4.12Å; I380-Y448 WeakPolarHBondContact CD1-OH 3.26Å; I380-Y448 HydrophobicContact CG1-CE1 4.21Å; I380-Y448 HydrophobicContact CG1-CE2 4.08Å; I380-Y448 HydrophobicContact CG2-CD2 3.78Å; I380-Y448 HydrophobicContact CG2-CE2 3.38Å; W384-Y448 HydrophobicContact CH2-CE2 4.03Å; W384-Y448 AromaticContact CZ3-CE2 3.8Å; W384-Y448 HydrophobicContact CZ3-CE2 3.8Å; V440-Y448 CarbonylContact O-C 3.39Å; V440-Y448 WeakPolarHBondContact O-CA 3.38Å; V440-Y448 WeakPolarHBondContact O-CB 3.46Å; F441-Y448 VanDerWaalsContact CD1-CB 3.49Å; F441-Y448 HydrophobicContact CD1-CG 4.16Å; F441-Y448 HydrophobicContact CE1-CD2 4.36Å; F441-Y448 HydrophobicContact CE1-CG 4.02Å; Y448-S466 WeakPolarHBondContact O-CA 2.82Å; Y448-M467 HydrophobicContact CD1-CB 3.87Å; Y448-M467 VanDerWaalsContact CD1-O 3.28Å; Y448-M467 WeakPolarHBondContact CD1-O 3.18Å; Y448-M467 HydrophobicContact CD2-CB 4.46Å; Y448-M467 HydrophobicContact CE1-CB 3.3Å; Y448-M467 HydrophobicContact CE1-CG 4.42Å; Y448-M467 HydrophobicContact CE2-CB 3.97Å; Y448-M467 HydrophobicContact CE2-CG 4.36Å; Y448-M467 HydrophobicContact CG-CB 4.42Å; Y448-M467 PolarHBondContact N-O 2.61Å; Y448-M467 PolarHBondContact O-N 2.81Å; Y448-P468 WeakPolarHBondContact CE1-O 3.4Å; Y448-I469 HydrophobicContact CD1-CG1 4.01Å
449	Y	79.6	Confident	74.5	Confident	14 Å²	14	34.7 Å²	34.7	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	162.7	-179.6	53.9	-94.3	0	0	0	111.6	V440 D442 K451 R463 S464	V440-Y449 HydrophobicContact CB-CD2 3.94Å; V440-Y449 HydrophobicContact CB-CE1 4.34Å; V440-Y449 HydrophobicContact CB-CE2 3.53Å; V440-Y449 HydrophobicContact CG1-CE1 4.22Å; V440-Y449 HydrophobicContact CG1-CE2 3.9Å; V440-Y449 WeakPolarHBondContact CG1-OH 3.46Å; V440-Y449 HydrophobicContact CG2-CD2 4.35Å; V440-Y449 HydrophobicContact CG2-CE2 3.86Å; V440-Y449 PolarHBondContact N-O 2.94Å; V440-Y449 PolarHBondContact O-N 2.71Å; D442-Y449 HydrophobicContact CB-CE1 4.4Å; Y449-K451 HydrophobicContact CE2-CG 4.39Å; Y449-R463 VanDerWaalsContact CD1-NH2 3.34Å; Y449-R463 HydrophobicContact CD2-CG 3.41Å; Y449-R463 VanDerWaalsContact CD2-CG 3.41Å; Y449-R463 VanDerWaalsContact CE1-NH2 3.29Å; Y449-R463 HydrophobicContact CE2-CG 3.83Å; Y449-R463 HydrophobicContact CG-CG 3.87Å; Y449-S464 WeakPolarHBondContact CA-OG 3.4Å; Y449-S464 WeakPolarHBondContact CB-OG 3.39Å
450	Q	85.3	Confident	73	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.3	174.7	170.8	-178.9	85.4	0	0	111.7	W384 F424 I437 I438 L439 R463 S464	W384-Q450 HydrophobicContact CZ2-CB 3.93Å; F424-Q450 PolarHBondContact O-NE2 3.22Å; I437-Q450 HydrophobicContact CB-CG 4.14Å; I437-Q450 HydrophobicContact CD1-CG 4.37Å; I438-Q450 CarbonylContact O-C 3.53Å; I438-Q450 WeakPolarHBondContact O-CA 3.43Å; L439-Q450 HydrophobicContact CD2-CB 4.14Å; Q450-R463 WeakPolarHBondContact O-CA 2.84Å; Q450-S464 PolarHBondContact N-OG 3.37Å; Q450-S464 PolarHBondContact O-N 2.8Å
451	K	81.3	Confident	71.9	Confident	69 Å²	69	36.7 Å²	36.7	30%	0.3	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	158.6	153.7	-69.2	-156.9	170.1	-152.5	0	110.5	I437 I438 V440 Y449 D461	I437-K451 WeakPolarHBondContact CA-O 3.35Å; I437-K451 WeakPolarHBondContact CB-O 3.38Å; I438-K451 HydrophobicContact CB-CB 4.46Å; I438-K451 PolarHBondContact N-O 3.47Å; I438-K451 PolarHBondContact O-N 3.27Å; I438-K451 VanDerWaalsContact O-O 3.12Å; V440-K451 HydrophobicContact CG2-CG 4.43Å; Y449-K451 HydrophobicContact CE2-CG 4.39Å; K451-D461 IonicContact NZ-OD1 2.74Å; K451-D461 PolarHBondContact NZ-OD1 3Å
452	C	76.2	Confident	70.9	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	178.7	-174.4	0	0	0	0	111.4	C425 H432 I437 D454 C457 R458 F462	C425-C452 HydrophobicContact CB-CB 4.47Å; C425-C452 VanDerWaalsContact SG-SG 3.69Å; H432-C452 PolarHBondContact NE2-SG 3.16Å; I437-C452 HydrophobicContact CG2-CB 4.34Å; C452-D454 VanDerWaalsContact C-N 3.27Å; C452-D454 WeakPolarHBondContact SG-CB 3.41Å; C452-D454 PolarHBondContact SG-N 3.19Å; C452-D454 VanDerWaalsContact SG-N 3.42Å; C452-C457 HydrophobicContact CB-CB 3.58Å; C452-R458 WeakPolarHBondContact O-CG 3.27Å; C452-F462 HydrophobicContact CB-CD1 4.37Å
453	L	75.1	Confident	70.6	Confident	51 Å²	51	41.1 Å²	41.1	27%	0.267	21%	0.207	S	C	.	.			trans	-84.8	-2.2	178.2	-62.3	178.2	0	0	0	113.4	K418 H436 I438	K418-L453 HydrophobicContact CD-CD1 4.35Å; H436-L453 HydrophobicContact CB-CD1 4.27Å; H436-L453 WeakPolarHBondContact O-CB 3.49Å; H436-L453 WeakPolarHBondContact O-CG 3.32Å; H436-L453 PolarHBondContact O-N 3.28Å; I438-L453 HydrophobicContact CD1-CD1 4.28Å; I438-L453 HydrophobicContact CD1-CD2 3.64Å; I438-L453 HydrophobicContact CD1-CG 4.11Å; I438-L453 HydrophobicContact CG1-CD1 4.27Å; I438-L453 HydrophobicContact CG1-CD2 4.23Å; I438-L453 HydrophobicContact CG1-CG 4.17Å
454	D	74.6	Confident	70.3	Confident	20 Å²	20	39.8 Å²	39.8	11%	0.107	20%	0.201	C	C	.	.	S	Bend	trans	-61.8	130.6	173.3	-173.3	-87.5	0	0	0	110.4	H432 N435 C452 D456 C457 R458	H432-D454 WeakPolarHBondContact CE1-CB 3.28Å; H432-D454 IonicContact CE1-OD1 2.65Å; H432-D454 IonicContact CE1-OD2 2.77Å; H432-D454 PolarHBondContact CE1-OD2 3.25Å; H432-D454 VanDerWaalsContact CE1-OD2 3.25Å; H432-D454 IonicContact CG-OD2 2.67Å; H432-D454 IonicContact ND1-OD2 3.97Å; H432-D454 PolarHBondContact ND1-OD2 3.32Å; N435-D454 HydrophobicContact CB-CB 3.98Å; N435-D454 PolarHBondContact ND2-OD2 2.75Å; C452-D454 VanDerWaalsContact C-N 3.27Å; C452-D454 WeakPolarHBondContact SG-CB 3.41Å; C452-D454 PolarHBondContact SG-N 3.19Å; C452-D454 VanDerWaalsContact SG-N 3.42Å; D454-D456 VanDerWaalsContact C-N 3.25Å; D454-D456 PolarHBondContact O-N 3.44Å; D454-D456 WeakPolarHBondContact OD1-CB 3.4Å; D454-D456 PolarHBondContact OD1-N 2.87Å; D454-D456 VanDerWaalsContact OD1-N 3.1Å; D454-C457 HydrophobicContact CB-CB 4.19Å; D454-C457 WeakPolarHBondContact O-CA 3.47Å; D454-C457 WeakPolarHBondContact O-CB 3.49Å; D454-C457 PolarHBondContact O-N 3.08Å; D454-R458 PolarHBondContact O-N 3.23Å
455	P	61.2	Low	70.3	Confident	57 Å²	57	37.5 Å²	37.5	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-53.2	-40.3	-177.6	-28.7	35.6	0	0	0	113.9	T262 C457 R458 L459	T262-P455 HydrophobicContact CG2-CB 4.24Å; P455-C457 VanDerWaalsContact C-N 3.27Å; P455-C457 PolarHBondContact O-N 3.47Å; P455-R458 PolarHBondContact O-N 3.42Å; P455-L459 PolarHBondContact O-N 3.12Å; P455-L459 VanDerWaalsContact O-N 3.11Å
456	D	64.9	Low	70.6	Confident	41 Å²	41	34.8 Å²	34.8	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-33.4	179.3	-65.9	-9.1	0	0	0	110.5	T262 R265 R427 D454	T262-D456 WeakPolarHBondContact CG2-OD1 3.4Å; T262-D456 PolarHBondContact OG1-OD1 3Å; R265-D456 IonicContact CZ-OD2 3.68Å; R265-D456 IonicContact NH1-OD1 3.89Å; R265-D456 PolarHBondContact NH1-OD1 3.1Å; R265-D456 IonicContact NH1-OD2 2.91Å; R265-D456 PolarHBondContact NH1-OD2 3.21Å; R427-D456 PolarHBondContact NH1-O 3.46Å; D454-D456 VanDerWaalsContact C-N 3.25Å; D454-D456 PolarHBondContact O-N 3.44Å; D454-D456 WeakPolarHBondContact OD1-CB 3.4Å; D454-D456 PolarHBondContact OD1-N 2.87Å; D454-D456 VanDerWaalsContact OD1-N 3.1Å
457	C	64.9	Low	70.5	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-78.1	-37.3	178	-59.3	0	0	0	0	112.4	C452 D454 P455 L460 D461 F462	C452-C457 HydrophobicContact CB-CB 3.58Å; D454-C457 HydrophobicContact CB-CB 4.19Å; D454-C457 WeakPolarHBondContact O-CA 3.47Å; D454-C457 WeakPolarHBondContact O-CB 3.49Å; D454-C457 PolarHBondContact O-N 3.08Å; P455-C457 VanDerWaalsContact C-N 3.27Å; P455-C457 PolarHBondContact O-N 3.47Å; C457-L460 PolarHBondContact O-N 3.1Å; C457-D461 PolarHBondContact O-N 3.25Å; C457-F462 HydrophobicContact CB-CB 4.22Å; C457-F462 WeakPolarHBondContact O-CB 3.26Å; C457-F462 PolarHBondContact O-N 3.25Å
458	R	64.1	Low	70.3	Confident	99 Å²	99	41.8 Å²	41.8	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-35.5	177.7	-69.3	-168.8	-57.7	174.9	5	112.6	C452 D454 P455 L460 D461	C452-R458 WeakPolarHBondContact O-CG 3.27Å; D454-R458 PolarHBondContact O-N 3.23Å; P455-R458 PolarHBondContact O-N 3.42Å; R458-L460 VanDerWaalsContact C-N 3.27Å; R458-L460 PolarHBondContact O-N 3.25Å; R458-D461 WeakPolarHBondContact O-CA 3.43Å; R458-D461 PolarHBondContact O-N 3.48Å
459	L	51.3	Low	70.1	Confident	41 Å²	41	41.6 Å²	41.6	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-35.3	175.9	-82.8	-172.4	0	0	0	112.9	Y261 T262 P455 D461	Y261-L459 WeakPolarHBondContact O-CD1 3.37Å; T262-L459 HydrophobicContact CG2-CD1 3.22Å; T262-L459 HydrophobicContact CG2-CG 4.04Å; P455-L459 PolarHBondContact O-N 3.12Å; P455-L459 VanDerWaalsContact O-N 3.11Å; L459-D461 PolarHBondContact O-N 3.11Å
460	L	56.1	Low	70.2	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.079	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.7	172.5	-64.8	-154.6	0	0	0	113.2	T204 L258 R427 C457 R458 F462	T204-L460 WeakPolarHBondContact CG2-O 3.15Å; L258-L460 HydrophobicContact CB-CD2 3.53Å; L258-L460 HydrophobicContact CD2-CD2 4.23Å; L258-L460 HydrophobicContact CG-CD2 4.35Å; R427-L460 VanDerWaalsContact NE-CD1 3.33Å; C457-L460 PolarHBondContact O-N 3.1Å; R458-L460 VanDerWaalsContact C-N 3.27Å; R458-L460 PolarHBondContact O-N 3.25Å; L460-F462 HydrophobicContact CB-CB 4.38Å; L460-F462 PolarHBondContact O-N 3.23Å
461	D	57	Low	69.8	Low	41 Å²	41	49 Å²	49	22%	0.219	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	41.9	-162.2	-170.8	28	0	0	0	111.4	T204 K451 C457 R458 L459 R463	T204-D461 HydrophobicContact CG2-CB 3.82Å; K451-D461 IonicContact NZ-OD1 2.74Å; K451-D461 PolarHBondContact NZ-OD1 3Å; C457-D461 PolarHBondContact O-N 3.25Å; R458-D461 WeakPolarHBondContact O-CA 3.43Å; R458-D461 PolarHBondContact O-N 3.48Å; L459-D461 PolarHBondContact O-N 3.11Å; D461-R463 PolarHBondContact O-N 3.45Å
462	F	65.1	Low	69.7	Low	31 Å²	31	49.6 Å²	49.6	14%	0.136	28%	0.277	C	S	.	.			trans	-56.4	129	-174	169.2	-101.1	0	0	0	111.1	E426 R427 C452 C457 L460	E426-F462 HydrophobicContact CB-CZ 4.26Å; R427-F462 HydrophobicContact CB-CD1 3.83Å; R427-F462 HydrophobicContact CB-CD2 3.73Å; R427-F462 HydrophobicContact CB-CE1 3.7Å; R427-F462 HydrophobicContact CB-CE2 3.6Å; R427-F462 HydrophobicContact CB-CG 3.85Å; R427-F462 HydrophobicContact CB-CZ 3.59Å; R427-F462 HydrophobicContact CG-CD2 3.78Å; R427-F462 HydrophobicContact CG-CE2 3.99Å; R427-F462 HydrophobicContact CG-CG 4.1Å; R427-F462 HydrophobicContact CG-CZ 4.47Å; C452-F462 HydrophobicContact CB-CD1 4.37Å; C457-F462 HydrophobicContact CB-CB 4.22Å; C457-F462 WeakPolarHBondContact O-CB 3.26Å; C457-F462 PolarHBondContact O-N 3.25Å; L460-F462 HydrophobicContact CB-CB 4.38Å; L460-F462 PolarHBondContact O-N 3.23Å
463	R	71.6	Confident	69.9	Low	64 Å²	64	49.8 Å²	49.8	24%	0.242	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-128.7	132.3	172.8	-177.2	-170.8	170	179.6	-3.9	107.7	Y449 Q450 D461 S466	Y449-R463 VanDerWaalsContact CD1-NH2 3.34Å; Y449-R463 HydrophobicContact CD2-CG 3.41Å; Y449-R463 VanDerWaalsContact CD2-CG 3.41Å; Y449-R463 VanDerWaalsContact CE1-NH2 3.29Å; Y449-R463 HydrophobicContact CE2-CG 3.83Å; Y449-R463 HydrophobicContact CG-CG 3.87Å; Q450-R463 WeakPolarHBondContact O-CA 2.84Å; D461-R463 PolarHBondContact O-N 3.45Å; R463-S466 PolarHBondContact NH2-OG 3.44Å
464	S	71.7	Confident	69.8	Low	8 Å²	8	49.4 Å²	49.4	6%	0.056	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.4	170.5	171.5	69.2	0	0	0	0	112.4	E426 Y449 Q450 S466	E426-S464 WeakPolarHBondContact OE2-CB 3.36Å; Y449-S464 WeakPolarHBondContact CA-OG 3.4Å; Y449-S464 WeakPolarHBondContact CB-OG 3.39Å; Q450-S464 PolarHBondContact N-OG 3.37Å; Q450-S464 PolarHBondContact O-N 2.8Å; S464-S466 PolarHBondContact O-N 3.39Å
465	S	70	Confident	68.8	Low	75 Å²	75	54 Å²	54	52%	0.524	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-50	141.9	162.3	-57.4	0	0	0	0	110.8
466	S	75.2	Confident	67.9	Low	55 Å²	55	56.4 Å²	56.4	39%	0.385	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-82.9	129.2	175.8	-57.7	0	0	0	0	109	Y448 R463 S464	Y448-S466 WeakPolarHBondContact O-CA 2.82Å; R463-S466 PolarHBondContact NH2-OG 3.44Å; S464-S466 PolarHBondContact O-N 3.39Å
467	M	73.8	Confident	66.2	Low	79 Å²	79	60.1 Å²	60.1	39%	0.389	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.4	-179.4	-61.3	-63.7	-81.8	0	0	108.6	C447 Y448	C447-M467 CarbonylContact C-O 3.55Å; C447-M467 WeakPolarHBondContact CA-O 3.36Å; C447-M467 WeakPolarHBondContact CB-O 3.46Å; Y448-M467 HydrophobicContact CD1-CB 3.87Å; Y448-M467 VanDerWaalsContact CD1-O 3.28Å; Y448-M467 WeakPolarHBondContact CD1-O 3.18Å; Y448-M467 HydrophobicContact CD2-CB 4.46Å; Y448-M467 HydrophobicContact CE1-CB 3.3Å; Y448-M467 HydrophobicContact CE1-CG 4.42Å; Y448-M467 HydrophobicContact CE2-CB 3.97Å; Y448-M467 HydrophobicContact CE2-CG 4.36Å; Y448-M467 HydrophobicContact CG-CB 4.42Å; Y448-M467 PolarHBondContact N-O 2.61Å; Y448-M467 PolarHBondContact O-N 2.81Å
468	P	74	Confident	64.4	Low	100 Å²	100	65 Å²	65	65%	0.649	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.2	-175.9	27.8	-34.3	0	0	0	111.7	Y448	Y448-P468 WeakPolarHBondContact CE1-O 3.4Å
469	I	79.8	Confident	62.6	Low	7 Å²	7	66.6 Å²	66.6	4%	0.036	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-92	126.7	164.2	-59.1	173.4	0	0	0	106.6	L373 F376 F441 L443 G446 C447 Y448 T471 C473 L474	L373-I469 HydrophobicContact CD1-CG2 4.5Å; F376-I469 HydrophobicContact CD1-CG2 4.06Å; F376-I469 HydrophobicContact CE1-CB 4.24Å; F376-I469 HydrophobicContact CE1-CG1 3.93Å; F376-I469 HydrophobicContact CE1-CG2 3.97Å; F441-I469 HydrophobicContact CB-CD1 4.12Å; F441-I469 HydrophobicContact CD1-CD1 4.09Å; L443-I469 HydrophobicContact CD2-CD1 4.03Å; G446-I469 PolarHBondContact O-N 3.22Å; C447-I469 WeakPolarHBondContact O-CD1 3.3Å; Y448-I469 HydrophobicContact CD1-CG1 4.01Å; I469-T471 PolarHBondContact O-N 2.78Å; I469-C473 HydrophobicContact CG2-CB 3.85Å; I469-L474 HydrophobicContact CB-CD1 4.41Å; I469-L474 HydrophobicContact CB-CD2 4.19Å; I469-L474 HydrophobicContact CB-CG 4.38Å; I469-L474 HydrophobicContact CD1-CD2 4.29Å; I469-L474 HydrophobicContact CG2-CD2 3.75Å; I469-L474 HydrophobicContact CG2-CD1 4.47Å; I469-L474 HydrophobicContact CG2-CG 3.93Å
470	P	81.5	Confident	61.1	Low	54 Å²	54	70.6 Å²	70.6	35%	0.351	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-52.6	137.8	174	-29.1	37.7	0	0	0	112.4	F376 D472 C473	F376-P470 HydrophobicContact CD2-CG 3.99Å; F376-P470 HydrophobicContact CE2-CG 3.71Å; F376-P470 VanDerWaalsContact CZ-CD 3.45Å; F376-P470 HydrophobicContact CZ-CG 4.41Å; P470-D472 VanDerWaalsContact C-N 3.28Å; P470-D472 WeakPolarHBondContact CB-OD1 3.39Å; P470-D472 PolarHBondContact O-N 2.67Å; P470-C473 VanDerWaalsContact O-CB 3.26Å; P470-C473 WeakPolarHBondContact O-CB 3.39Å; P470-C473 PolarHBondContact O-N 3.39Å
471	T	76.2	Confident	59.8	Low	116 Å²	116	75.3 Å²	75.3	71%	0.712	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-62.7	-33.3	-173.6	45.8	0	0	0	0	113.1	I469 C473 L474	I469-T471 PolarHBondContact O-N 2.78Å; T471-C473 PolarHBondContact O-N 3.01Å; T471-L474 PolarHBondContact O-N 3.38Å
472	D	80.3	Confident	58.3	Low	82 Å²	82	81.7 Å²	81.7	44%	0.439	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-63.4	-18.9	173.6	65.7	-34.3	0	0	0	113.8	N372 P470	N372-D472 PolarHBondContact ND2-O 3.13Å; P470-D472 VanDerWaalsContact C-N 3.28Å; P470-D472 WeakPolarHBondContact CB-OD1 3.39Å; P470-D472 PolarHBondContact O-N 2.67Å
473	C	80.2	Confident	56.6	Low	8 Å²	8	87.1 Å²	87.1	5%	0.054	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-86	-15.5	172.1	-58.8	0	0	0	0	112.7	L373 F376 I469 P470 T471	L373-C473 WeakPolarHBondContact CB-O 3.23Å; L373-C473 HydrophobicContact CD1-CB 4.43Å; F376-C473 HydrophobicContact CB-CB 4.4Å; I469-C473 HydrophobicContact CG2-CB 3.85Å; P470-C473 VanDerWaalsContact O-CB 3.26Å; P470-C473 WeakPolarHBondContact O-CB 3.39Å; P470-C473 PolarHBondContact O-N 3.39Å; T471-C473 PolarHBondContact O-N 3.01Å
474	L	72.3	Confident	54.6	Low	43 Å²	43	93.7 Å²	93.7	23%	0.225	55%	0.551	C	S	.	*			trans	-99.6	2.2	-176.3	-61.1	173	0	0	0	113.3	L443 G446 I469 T471 V476	L443-L474 HydrophobicContact CB-CD2 4.29Å; L443-L474 HydrophobicContact CD2-CD2 4.15Å; G446-L474 VanDerWaalsContact CA-CD1 3.41Å; I469-L474 HydrophobicContact CB-CD1 4.41Å; I469-L474 HydrophobicContact CB-CD2 4.19Å; I469-L474 HydrophobicContact CB-CG 4.38Å; I469-L474 HydrophobicContact CD1-CD2 4.29Å; I469-L474 HydrophobicContact CG2-CD2 3.75Å; I469-L474 HydrophobicContact CG2-CD1 4.47Å; I469-L474 HydrophobicContact CG2-CG 3.93Å; T471-L474 PolarHBondContact O-N 3.38Å; L474-V476 PolarHBondContact O-N 2.82Å
475	N	54.4	Low	52.4	Low	117 Å²	117	102.9 Å²	102.9	63%	0.626	59%	0.59	S	S	*	*			trans	-62.3	81.9	177.5	-76	-12.6	0	0	0	111.2
476	V	41.8	Very low	50.2	Low	108 Å²	108	103.8 Å²	103.8	66%	0.655	60%	0.602	S	S	*	*			trans	-75	132.8	159.4	-176.4	0	0	0	0	105.7	L474 S478	L474-V476 PolarHBondContact O-N 2.82Å; V476-S478 PolarHBondContact O-N 3.26Å
477	P	28.9	Very low	47.9	Very low	118 Å²	118	110.1 Å²	110.1	77%	0.766	63%	0.631	S	S	*	*			trans	-51.2	115.7	-174.7	17.3	-29.9	0	0	0	110.1	V479	P477-V479 PolarHBondContact O-N 3.46Å
478	S	26.9	Very low	45.6	Very low	105 Å²	105	110.9 Å²	110.9	73%	0.734	64%	0.644	S	S	*	*			trans	-61.5	118.1	-178.7	55	0	0	0	0	109	V476 C480	V476-S478 PolarHBondContact O-N 3.26Å; S478-C480 PolarHBondContact O-N 2.8Å
479	V	26.9	Very low	43.2	Very low	131 Å²	131	113.9 Å²	113.9	79%	0.794	65%	0.649	S	S	*	*			trans	-56.5	119.6	156.8	177.7	0	0	0	0	106	P477 S481	P477-V479 PolarHBondContact O-N 3.46Å; V479-S481 PolarHBondContact O-N 2.85Å
480	C	20.4	Very low	40.7	Very low	125 Å²	125	119.8 Å²	119.8	85%	0.845	68%	0.681	S	S	*	*			trans	-48.8	110	178.5	-77.9	0	0	0	0	109.8	S478	S478-C480 PolarHBondContact O-N 2.8Å
481	S	28.4	Very low	38	Very low	114 Å²	114	123.7 Å²	123.7	80%	0.797	70%	0.699	S	S	*	*			trans	-125	114	154.2	31	0	0	0	0	104.6	V479	V479-S481 PolarHBondContact O-N 2.85Å
482	E	26	Very low	35.7	Very low	176 Å²	176	126.8 Å²	126.8	82%	0.822	71%	0.71	S	S	*	*			trans	-61	149.5	177.2	-66.8	175.2	152.2	0	0	110
483	D	27.8	Very low	33	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	72%	0.72	S	S	*	*			trans	65.8	100.5	160.8	-57.7	-31.1	0	0	0	118.3
484	E	29.4	Very low	30.4	Very low	201 Å²	201	133.7 Å²	133.7	94%	0.939	75%	0.751	S	S	*	*				-159.1	124.4	120.6	-108.8	172.2	-167.1	0	0	111.6
485	K	25.4	Very low	28.2	Very low	201 Å²	201	140.5 Å²	140.5	87%	0.874	78%	0.778	S	S	*	*			trans	-85.8	140.8	-174.3	-83.7	172.3	173.6	168.1	0	111.7
486	A	25.1	Very low	26.7	Very low	94 Å²	94	141.9 Å²	141.9	78%	0.777	79%	0.79	S	S	*	*			trans	62	114.9	137.9	0	0	0	0	0	119.1
487	L	25.8	Very low	25.9	Very low	188 Å²	188	140 Å²	140	98%	0.984	79%	0.793	S	S	*	*			trans	-151.5	128.4	139.7	-99	151.8	0	0	0	108.8
488	S	25.4	Very low	25.6	Very low	96 Å²	96	142.4 Å²	142.4	67%	0.671	79%	0.792	S	S	*	*			trans	-110.3	159	-164.4	50.1	0	0	0	0	112.6
489	E	24.5	Very low	25.6	Very low	162 Å²	162	146.2 Å²	146.2	76%	0.757	80%	0.796	S	S	*	*			trans	73.9	112.8	146.1	-79.5	178.2	-159.9	0	0	120.7
490	N	28.1	Very low	25.6	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	78%	0.776	S	S	*	*				165.5	128	86	-98.8	-34.8	0	0	0	114.9
491	N	23.2	Very low	26.2	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	77%	0.767	S	S	*	*			trans	4.7	133.9	153.8	-63	-45	0	0	0	122.9
492	L	28.2	Very low	26.3	Very low	180 Å²	180	140.6 Å²	140.6	94%	0.942	75%	0.754	S	S	*	*				-158.9	130.8	124.2	-132.1	89.6	0	0	0	113.1
493	T	23.6	Very low	26.6	Very low	106 Å²	106	135 Å²	135	65%	0.65	73%	0.732	S	S	*	*			trans	-103.7	145.1	-176	46.2	0	0	0	0	113.1
494	N	26.6	Very low	27.1	Very low	130 Å²	130	130.6 Å²	130.6	70%	0.695	71%	0.71	S	S	*	*				150.6	127.1	121.6	-85.5	-42.1	0	0	0	117.4
495	K	25.8	Very low	27.3	Very low	186 Å²	186	125 Å²	125	81%	0.809	69%	0.691	S	S	*	*			trans	55	119.8	133.2	-64.6	-178.9	179.8	179.8	0	120.3
496	V	23.6	Very low	27.9	Very low	145 Å²	145	121.6 Å²	121.6	88%	0.879	68%	0.678	S	S	*	*			cis	107.5	127.8	48.3	163.8	0	0	0	0	112
497	G	24.6	Very low	28.4	Very low	69 Å²	69	120.8 Å²	120.8	71%	0.711	66%	0.661	S	S	*	*			trans	114.5	149.5	147.7	0	0	0	0	0	116.1
498	F	22.4	Very low	28.8	Very low	169 Å²	169	115.2 Å²	115.2	74%	0.741	63%	0.632	S	S	*	*			cis	-177	169.4	-15.7	-160.4	-92.5	0	0	0	106
499	F	26.1	Very low	29	Very low	185 Å²	185	117 Å²	117	81%	0.811	63%	0.631	S	S	*	*			trans	113.3	120.6	157.6	-63.8	-73.1	0	0	0	120.1
500	S	26.8	Very low	29.3	Very low	56 Å²	56	115.3 Å²	115.3	39%	0.392	63%	0.626	S	S	.	*			trans	-100	166.8	-168.2	52.5	0	0	0	0	114.7	H391 F502	H391-S500 WeakPolarHBondContact CD2-CB 3.06Å; S500-F502 WeakPolarHBondContact OG-CE2 3.42Å
501	A	33.6	Very low	29.5	Very low	79 Å²	79	112.9 Å²	112.9	65%	0.653	62%	0.619	S	S	*	*			trans	-145	140	150.6	0	0	0	0	0	111.7	S390 H391	S390-A501 WeakPolarHBondContact CA-O 3.35Å; S390-A501 VanDerWaalsContact CB-O 3.26Å; S390-A501 WeakPolarHBondContact CB-O 3.43Å; H391-A501 PolarHBondContact N-O 3.43Å
502	F	29.9	Very low	30.1	Very low	117 Å²	117	110 Å²	110	51%	0.513	61%	0.61	S	S	.	*			trans	-103.9	149.3	-159.9	-80.9	-101.5	0	0	0	111.8	H391 E392 S500	H391-F502 HydrophobicContact CB-CD1 3.49Å; H391-F502 VanDerWaalsContact CB-CD1 3.49Å; H391-F502 HydrophobicContact CB-CD2 4.07Å; H391-F502 HydrophobicContact CB-CE1 3.42Å; H391-F502 VanDerWaalsContact CB-CE1 3.42Å; H391-F502 HydrophobicContact CB-CE2 4.02Å; H391-F502 HydrophobicContact CB-CG 3.82Å; H391-F502 HydrophobicContact CB-CZ 3.69Å; H391-F502 AromaticContact CD2-CE2 3.62Å; H391-F502 AromaticContact CD2-CZ 3.54Å; H391-F502 AromaticContact CG-CZ 3.89Å; E392-F502 HydrophobicContact CG-CB 4.47Å; E392-F502 HydrophobicContact CG-CD1 3.72Å; E392-F502 WeakPolarHBondContact OE1-CD1 3.06Å; E392-F502 WeakPolarHBondContact OE2-CB 3.2Å; S500-F502 WeakPolarHBondContact OG-CE2 3.42Å
503	V	33.4	Very low	30.2	Very low	59 Å²	59	106.3 Å²	106.3	36%	0.358	59%	0.59	S	S	.	*			trans	-146.2	117.4	165.6	174.5	0	0	0	0	111.9	S390 E392 D507	S390-V503 WeakPolarHBondContact OG-CB 3.19Å; E392-V503 WeakPolarHBondContact CB-O 2.97Å; E392-V503 WeakPolarHBondContact OE2-CA 3.5Å; E392-V503 PolarHBondContact OE2-N 2.8Å; V503-D507 HydrophobicContact CG1-CB 4.37Å; V503-D507 WeakPolarHBondContact CG1-OD2 2.93Å
504	T	36.8	Very low	30.7	Very low	52 Å²	52	106.8 Å²	106.8	32%	0.319	59%	0.588	S	S	.	*			trans	-84.4	169	-138.1	59.9	0	0	0	0	116.8	E392 E506 D507	E392-T504 HydrophobicContact CG-CG2 4.46Å; E392-T504 WeakPolarHBondContact OE1-CG2 3.31Å; E392-T504 WeakPolarHBondContact OE2-CA 3.21Å; E392-T504 WeakPolarHBondContact OE2-CB 3.22Å; E392-T504 WeakPolarHBondContact OE2-CG2 3.44Å; E392-T504 PolarHBondContact OE2-N 3.17Å; T504-E506 WeakPolarHBondContact CB-OE2 3.17Å; T504-E506 PolarHBondContact O-N 3.49Å; T504-E506 VanDerWaalsContact O-N 3.13Å; T504-E506 PolarHBondContact OG1-OE2 2.95Å; T504-D507 PolarHBondContact N-OD2 3.27Å; T504-D507 WeakPolarHBondContact O-CB 3.17Å; T504-D507 PolarHBondContact O-N 3.12Å
505	P	35.4	Very low	31.3	Very low	84 Å²	84	107.2 Å²	107.2	55%	0.545	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-19.7	-178.3	-24.6	37	0	0	0	114.8	D507 L508	P505-D507 PolarHBondContact O-N 3.3Å; P505-L508 PolarHBondContact O-N 3.17Å
506	E	36.2	Very low	32.2	Very low	129 Å²	129	101.2 Å²	101.2	60%	0.603	58%	0.581	S	S	*	*	H	α-helix	trans	-63	-31.9	172.1	-65	80.9	-163.5	0	0	112.3	T504 L508 M509	T504-E506 WeakPolarHBondContact CB-OE2 3.17Å; T504-E506 PolarHBondContact O-N 3.49Å; T504-E506 VanDerWaalsContact O-N 3.13Å; T504-E506 PolarHBondContact OG1-OE2 2.95Å; E506-L508 PolarHBondContact O-N 3.46Å; E506-M509 PolarHBondContact O-N 3.4Å
507	D	35.5	Very low	32.8	Very low	77 Å²	77	101 Å²	101	41%	0.412	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-19.4	179.5	-70.9	-57.5	0	0	0	113.2	V503 T504 P505	V503-D507 HydrophobicContact CG1-CB 4.37Å; V503-D507 WeakPolarHBondContact CG1-OD2 2.93Å; T504-D507 PolarHBondContact N-OD2 3.27Å; T504-D507 WeakPolarHBondContact O-CB 3.17Å; T504-D507 PolarHBondContact O-N 3.12Å; P505-D507 PolarHBondContact O-N 3.3Å
508	L	35	Very low	33.6	Very low	71 Å²	71	106.1 Å²	106.1	37%	0.372	58%	0.58	S	S	.	*	H	α-helix	trans	-89.4	-23.4	178.1	-73.4	165.8	0	0	0	113	S396 P505 E506	S396-L508 WeakPolarHBondContact OG-CD1 3.43Å; P505-L508 PolarHBondContact O-N 3.17Å; E506-L508 PolarHBondContact O-N 3.46Å
509	M	28.8	Very low	34.3	Very low	133 Å²	133	110.7 Å²	110.7	66%	0.655	60%	0.599	S	S	*	*	H	α-helix	trans	-77.1	-31.6	178.5	-172.3	172.5	156.1	0	0	112.2	E506 C511 S512	E506-M509 PolarHBondContact O-N 3.4Å; M509-C511 PolarHBondContact O-N 3.3Å; M509-S512 PolarHBondContact O-OG 3.33Å; M509-S512 VanDerWaalsContact O-OG 3.11Å
510	L	30.5	Very low	34.7	Very low	126 Å²	126	107 Å²	107	66%	0.66	59%	0.589	S	S	*	*	H	α-helix	trans	-71.7	-29.1	-178.3	-117.7	116.1	0	0	0	113.6
511	C	34.1	Very low	35.1	Very low	80 Å²	80	109.6 Å²	109.6	54%	0.541	60%	0.599	S	S	.	*	H	α-helix	trans	-78.5	-31.7	-177.3	-66.8	0	0	0	0	112.7	M509 L514	M509-C511 PolarHBondContact O-N 3.3Å; C511-L514 PolarHBondContact O-N 3.22Å
512	S	34.3	Very low	35.2	Very low	78 Å²	78	111.3 Å²	111.3	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-76	-27.9	-176	52.2	0	0	0	0	113.8	M509 L514	M509-S512 PolarHBondContact O-OG 3.33Å; M509-S512 VanDerWaalsContact O-OG 3.11Å; S512-L514 VanDerWaalsContact C-N 3.3Å
513	I	31.3	Very low	35.5	Very low	102 Å²	102	111 Å²	111	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-69.1	-33	175.7	-63.9	174.1	0	0	0	110.8
514	L	33.3	Very low	35.6	Very low	116 Å²	116	114.3 Å²	114.3	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-75.4	-31.6	-174.8	-68.6	172.3	0	0	0	113.2	C511 S512	C511-L514 PolarHBondContact O-N 3.22Å; S512-L514 VanDerWaalsContact C-N 3.3Å
515	D	39.2	Very low	35.5	Very low	138 Å²	138	118.4 Å²	118.4	74%	0.738	64%	0.636	S	S	*	*	H	α-helix	trans	-82.6	-14.2	-178.4	-70.5	-19.2	0	0	0	113.2
516	G	45.1	Very low	35.6	Very low	61 Å²	61	120.9 Å²	120.9	63%	0.629	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-13	179.2	0	0	0	0	0	115.5
517	L	37.4	Very low	35.5	Very low	139 Å²	139	120.2 Å²	120.2	73%	0.728	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	17.1	-174	-70.7	170.3	0	0	0	114
518	Q	40.7	Very low	35.5	Very low	178 Å²	178	123.8 Å²	123.8	83%	0.832	67%	0.665	S	S	*	*			trans	-121.9	39.4	175.8	-66.2	-169.8	-9.3	0	0	113.3
519	K	36.3	Very low	35.5	Very low	264 Å²	264	128.6 Å²	128.6	100%	1.148	69%	0.691	S	S	*	*			trans	-80.3	0	138.2	-74.9	-173.9	179.2	-179.1	0	107.9

Retrieved 519 of 519 residues in 106.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).