A0A087X9B0_POEFO Loading...

Long-chain-fatty-acid--CoA ligase

Catalyzes the conversion of long-chain fatty acids to their active form acyl-CoAs for both synthesis of cellular lipids, and degradation via beta-oxidation.

AlphaFold DB , UniProt , Accession A0A087X9B0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	46.3	Very low	224 Å²	224	155.5 Å²	155.5	100%	1.103	74%	0.741	S	S	*	*				0	39.6	0	-138.1	-172.3	-62.2	0	0	111.5
2	Q	53.8	Low	46.7	Very low	165 Å²	165	153.8 Å²	153.8	77%	0.771	74%	0.737	S	S	*	*			trans	-136	-5.7	-173	-93.2	174.9	-14.6	0	0	115.1	V6	Q2-V6 WeakPolarHBondContact O-CG2 3.2Å
3	A	41.9	Very low	46.8	Very low	74 Å²	74	147.6 Å²	147.6	61%	0.612	72%	0.717	S	S	*	*	H	α-helix	trans	-89.4	-34.4	175.6	0	0	0	0	0	112.9	E5 L7	A3-E5 VanDerWaalsContact C-N 3.33Å; A3-L7 PolarHBondContact O-N 3.12Å
4	Q	46.2	Very low	47.7	Very low	169 Å²	169	147.4 Å²	147.4	79%	0.79	71%	0.714	S	S	*	*	H	α-helix	trans	-73.6	-24	178	-81.6	179.3	-40.7	0	0	113.3	R8	Q4-R8 PolarHBondContact O-N 2.95Å
5	E	46.1	Very low	48.2	Very low	131 Å²	131	147.1 Å²	147.1	61%	0.612	72%	0.716	S	S	*	*	H	α-helix	trans	-81.8	-35.3	-179.9	-134.7	160.4	-163.7	0	0	111.8	A3 R8 Q9	A3-E5 VanDerWaalsContact C-N 3.33Å; E5-R8 PolarHBondContact O-N 3.21Å; E5-Q9 PolarHBondContact O-N 2.9Å
6	V	46.7	Very low	48.7	Very low	87 Å²	87	144.1 Å²	144.1	53%	0.527	71%	0.705	S	S	.	*	H	α-helix	trans	-67.5	-38.5	172.2	175.3	0	0	0	0	111.4	Q2 R8 Q9 L10	Q2-V6 WeakPolarHBondContact O-CG2 3.2Å; V6-R8 VanDerWaalsContact C-N 3.28Å; V6-R8 PolarHBondContact O-N 2.73Å; V6-Q9 PolarHBondContact O-N 2.82Å; V6-L10 PolarHBondContact O-N 3.34Å
7	L	42.5	Very low	49.2	Very low	118 Å²	118	140.8 Å²	140.8	62%	0.618	69%	0.691	S	S	*	*	H	α-helix	trans	-68.4	-23.2	173.5	-86.4	158.3	0	0	0	113.4	A3	A3-L7 PolarHBondContact O-N 3.12Å
8	R	45.2	Very low	49.6	Very low	224 Å²	224	140.3 Å²	140.3	85%	0.845	68%	0.684	S	S	*	*	H	α-helix	trans	-80.2	-25.2	174.1	-107.4	-178.4	174.4	179	-1.4	113.6	Q4 E5 V6	Q4-R8 PolarHBondContact O-N 2.95Å; E5-R8 PolarHBondContact O-N 3.21Å; V6-R8 VanDerWaalsContact C-N 3.28Å; V6-R8 PolarHBondContact O-N 2.73Å
9	Q	45.2	Very low	49.9	Very low	165 Å²	165	141.5 Å²	141.5	77%	0.771	68%	0.681	S	S	*	*	H	α-helix	trans	-83.8	-22.2	177.6	-73.3	-174.5	-10	0	0	113.3	E5 V6 R11	E5-Q9 PolarHBondContact O-N 2.9Å; V6-Q9 PolarHBondContact O-N 2.82Å; Q9-R11 PolarHBondContact O-N 3.38Å
10	L	44.8	Very low	50.4	Low	113 Å²	113	141.5 Å²	141.5	59%	0.592	68%	0.68	S	S	*	*	S	Bend	trans	-82.2	88.4	167.5	-73.2	161.1	0	0	0	108.7	V6 I12	V6-L10 PolarHBondContact O-N 3.34Å; L10-I12 PolarHBondContact O-N 3.1Å
11	R	48.4	Very low	50.8	Low	240 Å²	240	142.8 Å²	142.8	91%	0.906	68%	0.679	S	S	*	*			trans	-60.1	91.1	164.4	-82.3	-173.3	-179.2	-177.5	0.2	108.4	Q9 P13	Q9-R11 PolarHBondContact O-N 3.38Å; R11-P13 WeakPolarHBondContact O-CD 3.18Å
12	I	50.7	Low	51.4	Low	135 Å²	135	134.6 Å²	134.6	69%	0.692	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.3	163.7	-57.9	175.5	0	0	0	105	L10 E14	L10-I12 PolarHBondContact O-N 3.1Å; I12-E14 PolarHBondContact O-N 2.72Å
13	P	48.4	Very low	51.7	Low	74 Å²	74	137 Å²	137	48%	0.481	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-57.2	139.6	179	-18	28.9	0	0	0	109.4	R11 D17	R11-P13 WeakPolarHBondContact O-CD 3.18Å; P13-D17 HydrophobicContact CB-CB 3.71Å
14	E	59.6	Low	52.9	Low	145 Å²	145	136.7 Å²	136.7	68%	0.678	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.7	150.4	170.1	-70.9	-176.1	167.8	0	0	109	I12 D16 D17 F18	I12-E14 PolarHBondContact O-N 2.72Å; E14-D16 PolarHBondContact O-N 3.11Å; E14-D17 WeakPolarHBondContact O-CB 2.92Å; E14-D17 PolarHBondContact O-N 3.46Å; E14-F18 PolarHBondContact O-N 2.68Å; E14-F18 VanDerWaalsContact O-N 3.14Å
15	L	55.8	Low	53.8	Low	143 Å²	143	132.6 Å²	132.6	75%	0.749	63%	0.627	S	S	*	*	H	α-helix	trans	-53	-25.5	-179.5	-94.4	154.9	0	0	0	112.8	R19	L15-R19 WeakPolarHBondContact O-CG 3.42Å; L15-R19 PolarHBondContact O-N 2.93Å; L15-R19 VanDerWaalsContact O-N 3.11Å
16	D	55.1	Low	55.3	Low	99 Å²	99	130.5 Å²	130.5	53%	0.529	62%	0.624	S	S	.	*	H	α-helix	trans	-77.1	-33.8	175.1	-74.1	-30.4	0	0	0	113.7	E14 R19 Q20	E14-D16 PolarHBondContact O-N 3.11Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 3.84Å; D16-Q20 PolarHBondContact O-N 2.98Å
17	D	57.3	Low	56.5	Low	87 Å²	87	131.2 Å²	131.2	47%	0.465	63%	0.629	S	S	.	*	H	α-helix	trans	-66.8	-40.7	171.4	-77.8	-23.5	0	0	0	110.9	P13 E14 R19 Q20 Y21	P13-D17 HydrophobicContact CB-CB 3.71Å; E14-D17 WeakPolarHBondContact O-CB 2.92Å; E14-D17 PolarHBondContact O-N 3.46Å; D17-R19 VanDerWaalsContact C-N 3.34Å; D17-R19 PolarHBondContact O-N 2.89Å; D17-Q20 PolarHBondContact O-N 2.71Å; D17-Y21 VanDerWaalsContact O-CB 3.3Å; D17-Y21 WeakPolarHBondContact O-CB 3.36Å; D17-Y21 PolarHBondContact O-N 2.75Å
18	F	55.9	Low	57.9	Low	132 Å²	132	132.1 Å²	132.1	58%	0.579	64%	0.635	S	S	*	*	H	α-helix	trans	-64.7	-39.2	174.8	-167.3	-98.4	0	0	0	111.4	E14 Y21 V22	E14-F18 PolarHBondContact O-N 2.68Å; E14-F18 VanDerWaalsContact O-N 3.14Å; F18-Y21 PolarHBondContact O-N 3.08Å; F18-V22 HydrophobicContact CD1-CG2 3.98Å; F18-V22 HydrophobicContact CE1-CG2 3.76Å; F18-V22 HydrophobicContact CZ-CG2 4.16Å; F18-V22 WeakPolarHBondContact O-CB 3.44Å; F18-V22 WeakPolarHBondContact O-CG2 3.39Å; F18-V22 PolarHBondContact O-N 2.81Å
19	R	56.4	Low	59.2	Low	164 Å²	164	123 Å²	123	62%	0.619	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-40.7	174.1	-85.1	176.2	170.3	172	-1.8	112.8	L15 D16 D17 R23	L15-R19 WeakPolarHBondContact O-CG 3.42Å; L15-R19 PolarHBondContact O-N 2.93Å; L15-R19 VanDerWaalsContact O-N 3.11Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 3.84Å; D17-R19 VanDerWaalsContact C-N 3.34Å; D17-R19 PolarHBondContact O-N 2.89Å; R19-R23 WeakPolarHBondContact O-CB 3.4Å; R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 3.09Å
20	Q	59.7	Low	60.5	Low	141 Å²	141	118.2 Å²	118.2	66%	0.659	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-40.6	175	-79	-171.1	0.5	0	0	111.7	D16 D17 V22 R23 G24	D16-Q20 PolarHBondContact O-N 2.98Å; D17-Q20 PolarHBondContact O-N 2.71Å; Q20-V22 PolarHBondContact O-N 2.79Å; Q20-R23 PolarHBondContact O-N 3.14Å; Q20-G24 PolarHBondContact O-N 3.01Å
21	Y	59	Low	61.7	Low	169 Å²	169	119.1 Å²	119.1	66%	0.663	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-41.2	177	-156	-96.9	0	0	0	112.2	D17 F18 G24 F25	D17-Y21 VanDerWaalsContact O-CB 3.3Å; D17-Y21 WeakPolarHBondContact O-CB 3.36Å; D17-Y21 PolarHBondContact O-N 2.75Å; F18-Y21 PolarHBondContact O-N 3.08Å; Y21-G24 PolarHBondContact O-N 3.28Å; Y21-F25 AromaticContact CD1-CE2 3.99Å; Y21-F25 HydrophobicContact CD1-CE2 3.99Å; Y21-F25 AromaticContact CE1-CE2 3.93Å; Y21-F25 HydrophobicContact CE1-CE2 3.93Å; Y21-F25 HydrophobicContact CE1-CZ 4.36Å; Y21-F25 WeakPolarHBondContact O-CD2 3.32Å
22	V	60.1	Low	62.9	Low	52 Å²	52	109.6 Å²	109.6	32%	0.315	57%	0.566	S	S	.	*	H	α-helix	trans	-69.5	-33.2	176.3	170.9	0	0	0	0	111.9	F18 Q20 G24 F25 L30	F18-V22 HydrophobicContact CD1-CG2 3.98Å; F18-V22 HydrophobicContact CE1-CG2 3.76Å; F18-V22 HydrophobicContact CZ-CG2 4.16Å; F18-V22 WeakPolarHBondContact O-CB 3.44Å; F18-V22 WeakPolarHBondContact O-CG2 3.39Å; F18-V22 PolarHBondContact O-N 2.81Å; Q20-V22 PolarHBondContact O-N 2.79Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.88Å; V22-F25 PolarHBondContact O-N 3.29Å; V22-L30 HydrophobicContact CG1-CD2 3.68Å
23	R	61.4	Low	64.4	Low	216 Å²	216	107.6 Å²	107.6	82%	0.815	56%	0.555	S	S	*	*	H	α-helix	trans	-68.2	-21.5	174.8	-82.1	-179.7	177.8	-178.9	0.9	114	R19 Q20 F25	R19-R23 WeakPolarHBondContact O-CB 3.4Å; R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 3.09Å; Q20-R23 PolarHBondContact O-N 3.14Å; R23-F25 VanDerWaalsContact C-N 3.3Å
24	G	67.5	Low	65.8	Low	66 Å²	66	106.1 Å²	106.1	68%	0.68	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-11	178	0	0	0	0	0	114.6	Q20 Y21 V22	Q20-G24 PolarHBondContact O-N 3.01Å; Y21-G24 PolarHBondContact O-N 3.28Å; V22-G24 VanDerWaalsContact C-N 3.27Å; V22-G24 PolarHBondContact O-N 2.88Å
25	F	64.8	Low	66.7	Low	83 Å²	83	101.6 Å²	101.6	36%	0.364	54%	0.541	S	S	.	.	S	Bend	trans	-86	136.1	179.1	-79.1	-84	0	0	0	111.7	Y21 V22 R23 A29 L30 M33	Y21-F25 AromaticContact CD1-CE2 3.99Å; Y21-F25 HydrophobicContact CD1-CE2 3.99Å; Y21-F25 AromaticContact CE1-CE2 3.93Å; Y21-F25 HydrophobicContact CE1-CE2 3.93Å; Y21-F25 HydrophobicContact CE1-CZ 4.36Å; Y21-F25 WeakPolarHBondContact O-CD2 3.32Å; V22-F25 PolarHBondContact O-N 3.29Å; R23-F25 VanDerWaalsContact C-N 3.3Å; F25-A29 HydrophobicContact CB-CB 4.31Å; F25-A29 HydrophobicContact CD1-CB 3.95Å; F25-L30 HydrophobicContact CB-CD1 4.43Å; F25-L30 HydrophobicContact CB-CD2 4.03Å; F25-L30 HydrophobicContact CB-CG 3.86Å; F25-M33 HydrophobicContact CB-CE 4.35Å; F25-M33 HydrophobicContact CD1-CE 3.77Å; F25-M33 HydrophobicContact CD2-CE 4.19Å; F25-M33 HydrophobicContact CE1-CE 4.08Å; F25-M33 HydrophobicContact CE2-CE 4.48Å; F25-M33 HydrophobicContact CG-CE 3.83Å; F25-M33 HydrophobicContact CZ-CE 4.42Å
26	P	76.3	Confident	67.8	Low	87 Å²	87	101.7 Å²	101.7	57%	0.565	54%	0.536	S	S	*	.			trans	-60.5	145.8	171.2	23.6	-30.3	0	0	0	110.1	N28 A29 L30	P26-N28 PolarHBondContact O-N 3.49Å; P26-A29 HydrophobicContact CG-CB 4.01Å; P26-A29 WeakPolarHBondContact O-CA 3.39Å; P26-A29 WeakPolarHBondContact O-CB 3.36Å; P26-A29 PolarHBondContact O-N 2.97Å; P26-L30 PolarHBondContact O-N 3.22Å
27	T	73.1	Confident	69.2	Low	103 Å²	103	99.4 Å²	99.4	63%	0.632	53%	0.53	S	S	*	.	H	α-helix	trans	-49.4	-36.7	-176.2	-48.7	0	0	0	0	113.1	A29 L30 M31	T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 3.29Å; T27-L30 PolarHBondContact O-N 2.93Å; T27-M31 HydrophobicContact CG2-SD 4.49Å; T27-M31 WeakPolarHBondContact O-CB 3.23Å; T27-M31 WeakPolarHBondContact O-CG 3.49Å; T27-M31 PolarHBondContact O-N 3.33Å
28	N	70.5	Confident	70.1	Confident	136 Å²	136	98.2 Å²	98.2	73%	0.727	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-35.7	176.9	-64.4	-9.5	0	0	0	113.1	P26 G32	P26-N28 PolarHBondContact O-N 3.49Å; N28-G32 PolarHBondContact O-N 3.08Å
29	A	73.9	Confident	71.4	Confident	33 Å²	33	97.3 Å²	97.3	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-73.4	-38.7	177.4	0	0	0	0	0	111.7	F25 P26 T27 G32 M33	F25-A29 HydrophobicContact CB-CB 4.31Å; F25-A29 HydrophobicContact CD1-CB 3.95Å; P26-A29 HydrophobicContact CG-CB 4.01Å; P26-A29 WeakPolarHBondContact O-CA 3.39Å; P26-A29 WeakPolarHBondContact O-CB 3.36Å; P26-A29 PolarHBondContact O-N 2.97Å; T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 3.29Å; A29-G32 PolarHBondContact O-N 3.26Å; A29-M33 HydrophobicContact CB-CE 4.37Å; A29-M33 WeakPolarHBondContact O-CE 3.44Å; A29-M33 WeakPolarHBondContact O-CG 3.01Å; A29-M33 PolarHBondContact O-N 3.32Å
30	L	71.6	Confident	72.3	Confident	65 Å²	65	91.4 Å²	91.4	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-42.4	173.5	-69	171.2	0	0	0	111.8	V22 F25 P26 T27 G32 M33 G34	V22-L30 HydrophobicContact CG1-CD2 3.68Å; F25-L30 HydrophobicContact CB-CD1 4.43Å; F25-L30 HydrophobicContact CB-CD2 4.03Å; F25-L30 HydrophobicContact CB-CG 3.86Å; P26-L30 PolarHBondContact O-N 3.22Å; T27-L30 PolarHBondContact O-N 2.93Å; L30-G32 VanDerWaalsContact C-N 3.35Å; L30-M33 HydrophobicContact CD2-CE 4.06Å; L30-M33 PolarHBondContact O-N 3.44Å; L30-G34 PolarHBondContact O-N 2.82Å
31	M	69.7	Low	73.3	Confident	131 Å²	131	89.2 Å²	89.2	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-41.5	172.1	-76.8	-176.3	56	0	0	112.1	T27 G34 A35	T27-M31 HydrophobicContact CG2-SD 4.49Å; T27-M31 WeakPolarHBondContact O-CB 3.23Å; T27-M31 WeakPolarHBondContact O-CG 3.49Å; T27-M31 PolarHBondContact O-N 3.33Å; M31-G34 PolarHBondContact O-N 3.39Å; M31-A35 VanDerWaalsContact O-CB 3.31Å; M31-A35 WeakPolarHBondContact O-CB 3.32Å; M31-A35 PolarHBondContact O-N 2.94Å
32	G	75.3	Confident	74.1	Confident	41 Å²	41	89.3 Å²	89.3	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.6	0	0	0	0	0	113	N28 A29 L30 A35 F36	N28-G32 PolarHBondContact O-N 3.08Å; A29-G32 PolarHBondContact O-N 3.26Å; L30-G32 VanDerWaalsContact C-N 3.35Å; G32-A35 PolarHBondContact O-N 2.86Å; G32-F36 WeakPolarHBondContact O-CB 3.4Å; G32-F36 PolarHBondContact O-N 3.02Å
33	M	80.6	Confident	75	Confident	92 Å²	92	93.5 Å²	93.5	45%	0.453	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-42.1	175	-75.9	-175.5	-91.4	0	0	112.2	F25 A29 L30 F36 A37	F25-M33 HydrophobicContact CB-CE 4.35Å; F25-M33 HydrophobicContact CD1-CE 3.77Å; F25-M33 HydrophobicContact CD2-CE 4.19Å; F25-M33 HydrophobicContact CE1-CE 4.08Å; F25-M33 HydrophobicContact CE2-CE 4.48Å; F25-M33 HydrophobicContact CG-CE 3.83Å; F25-M33 HydrophobicContact CZ-CE 4.42Å; A29-M33 HydrophobicContact CB-CE 4.37Å; A29-M33 WeakPolarHBondContact O-CE 3.44Å; A29-M33 WeakPolarHBondContact O-CG 3.01Å; A29-M33 PolarHBondContact O-N 3.32Å; L30-M33 HydrophobicContact CD2-CE 4.06Å; L30-M33 PolarHBondContact O-N 3.44Å; M33-F36 PolarHBondContact O-N 3.18Å; M33-A37 WeakPolarHBondContact O-CB 3.41Å; M33-A37 PolarHBondContact O-N 3.47Å
34	G	78.3	Confident	75.7	Confident	43 Å²	43	88.3 Å²	88.3	44%	0.443	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-43.6	174.5	0	0	0	0	0	112.6	L30 M31 A37 A38	L30-G34 PolarHBondContact O-N 2.82Å; M31-G34 PolarHBondContact O-N 3.39Å; G34-A37 PolarHBondContact O-N 2.97Å; G34-A38 VanDerWaalsContact O-CB 3.28Å; G34-A38 WeakPolarHBondContact O-CB 3.44Å; G34-A38 PolarHBondContact O-N 2.68Å
35	A	77.4	Confident	76	Confident	51 Å²	51	88.9 Å²	88.9	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-43.5	175.3	0	0	0	0	0	111.8	M31 G32 A38 I39	M31-A35 VanDerWaalsContact O-CB 3.31Å; M31-A35 WeakPolarHBondContact O-CB 3.32Å; M31-A35 PolarHBondContact O-N 2.94Å; G32-A35 PolarHBondContact O-N 2.86Å; A35-A38 PolarHBondContact O-N 2.88Å; A35-I39 WeakPolarHBondContact O-CB 3.42Å; A35-I39 WeakPolarHBondContact O-CD1 3.31Å; A35-I39 WeakPolarHBondContact O-CG1 3.2Å; A35-I39 PolarHBondContact O-N 3.21Å
36	F	80.8	Confident	76.4	Confident	145 Å²	145	87.9 Å²	87.9	64%	0.636	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-48.9	175.5	-177	-98.7	0	0	0	111.3	G32 M33 A38 I39 T40	G32-F36 WeakPolarHBondContact O-CB 3.4Å; G32-F36 PolarHBondContact O-N 3.02Å; M33-F36 PolarHBondContact O-N 3.18Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 3.18Å; F36-I39 PolarHBondContact O-N 3.17Å; F36-T40 WeakPolarHBondContact O-CB 3.42Å; F36-T40 PolarHBondContact O-N 3.1Å; F36-T40 PolarHBondContact O-OG1 3.5Å
37	A	82.7	Confident	76.5	Confident	51 Å²	51	89.2 Å²	89.2	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-40.5	176.8	0	0	0	0	0	112.2	M33 G34 T41	M33-A37 WeakPolarHBondContact O-CB 3.41Å; M33-A37 PolarHBondContact O-N 3.47Å; G34-A37 PolarHBondContact O-N 2.97Å; A37-T41 WeakPolarHBondContact O-CB 3.31Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 2.79Å
38	A	77.7	Confident	76.9	Confident	61 Å²	61	86.8 Å²	86.8	50%	0.504	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-44.3	175.5	0	0	0	0	0	112	G34 A35 F36 T41 Y42	G34-A38 VanDerWaalsContact O-CB 3.28Å; G34-A38 WeakPolarHBondContact O-CB 3.44Å; G34-A38 PolarHBondContact O-N 2.68Å; A35-A38 PolarHBondContact O-N 2.88Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-N 3.23Å; A38-Y42 WeakPolarHBondContact O-CB 3.37Å; A38-Y42 PolarHBondContact O-N 3.26Å
39	I	82.3	Confident	77.5	Confident	113 Å²	113	88.2 Å²	88.2	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-64	-45.2	176.1	-70.1	165	0	0	0	110.6	A35 F36 Y42 W43	A35-I39 WeakPolarHBondContact O-CB 3.42Å; A35-I39 WeakPolarHBondContact O-CD1 3.31Å; A35-I39 WeakPolarHBondContact O-CG1 3.2Å; A35-I39 PolarHBondContact O-N 3.21Å; F36-I39 PolarHBondContact O-N 3.17Å; I39-Y42 PolarHBondContact O-N 3.32Å; I39-W43 WeakPolarHBondContact O-CB 3.3Å; I39-W43 PolarHBondContact O-N 3.14Å
40	T	76.1	Confident	78.1	Confident	41 Å²	41	89.5 Å²	89.5	25%	0.252	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-44.2	178.1	-59.1	0	0	0	0	111	F36 W43 F44	F36-T40 WeakPolarHBondContact O-CB 3.42Å; F36-T40 PolarHBondContact O-N 3.1Å; F36-T40 PolarHBondContact O-OG1 3.5Å; T40-W43 PolarHBondContact O-N 2.52Å; T40-F44 HydrophobicContact CG2-CD2 3.65Å; T40-F44 HydrophobicContact CG2-CE2 3.55Å; T40-F44 WeakPolarHBondContact O-CD2 3.06Å; T40-F44 PolarHBondContact O-N 3.37Å
41	T	79.9	Confident	78.8	Confident	94 Å²	94	87.9 Å²	87.9	58%	0.577	49%	0.488	S	S	*	.	H	α-helix	trans	-64.8	-45.7	176.7	-57.1	0	0	0	0	111	A37 A38 W43 F44 A45	A37-T41 WeakPolarHBondContact O-CB 3.31Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 2.79Å; A38-T41 PolarHBondContact O-N 3.23Å; T41-W43 VanDerWaalsContact C-N 3.3Å; T41-W43 PolarHBondContact O-N 3.14Å; T41-F44 PolarHBondContact O-N 2.96Å; T41-A45 VanDerWaalsContact O-CB 3.29Å; T41-A45 WeakPolarHBondContact O-CB 3.37Å; T41-A45 PolarHBondContact O-N 2.99Å
42	Y	76.9	Confident	79.7	Confident	171 Å²	171	89.4 Å²	89.4	67%	0.671	49%	0.491	S	S	*	.	H	α-helix	trans	-59.8	-41.8	174.1	-179.3	-98.8	0	0	0	111.1	A38 I39 A45 S46	A38-Y42 WeakPolarHBondContact O-CB 3.37Å; A38-Y42 PolarHBondContact O-N 3.26Å; I39-Y42 PolarHBondContact O-N 3.32Å; Y42-A45 PolarHBondContact O-N 3.39Å; Y42-S46 WeakPolarHBondContact O-CB 3.35Å; Y42-S46 PolarHBondContact O-N 3.31Å; Y42-S46 PolarHBondContact O-OG 3.31Å
43	W	78.5	Confident	80.4	Confident	141 Å²	141	89.4 Å²	89.4	53%	0.534	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-45.2	175.9	-177.1	84.1	0	0	0	111.9	I39 T40 T41 A45 S46 R47	I39-W43 WeakPolarHBondContact O-CB 3.3Å; I39-W43 PolarHBondContact O-N 3.14Å; T40-W43 PolarHBondContact O-N 2.52Å; T41-W43 VanDerWaalsContact C-N 3.3Å; T41-W43 PolarHBondContact O-N 3.14Å; W43-A45 VanDerWaalsContact C-N 3.29Å; W43-A45 PolarHBondContact O-N 2.86Å; W43-S46 PolarHBondContact O-N 2.86Å; W43-R47 WeakPolarHBondContact O-CA 3.12Å; W43-R47 WeakPolarHBondContact O-CB 3.28Å; W43-R47 WeakPolarHBondContact O-CG 3.27Å; W43-R47 PolarHBondContact O-N 2.97Å
44	F	76.2	Confident	80.8	Confident	107 Å²	107	86.2 Å²	86.2	47%	0.469	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-33.8	174.9	-85.2	-71	0	0	0	113	T40 T41	T40-F44 HydrophobicContact CG2-CD2 3.65Å; T40-F44 HydrophobicContact CG2-CE2 3.55Å; T40-F44 WeakPolarHBondContact O-CD2 3.06Å; T40-F44 PolarHBondContact O-N 3.37Å; T41-F44 PolarHBondContact O-N 2.96Å
45	A	73.1	Confident	81.5	Confident	78 Å²	78	85.3 Å²	85.3	65%	0.645	46%	0.457	S	S	*	.	H	α-helix	trans	-76.9	-36.4	177.9	0	0	0	0	0	113.1	T41 Y42 W43	T41-A45 VanDerWaalsContact O-CB 3.29Å; T41-A45 WeakPolarHBondContact O-CB 3.37Å; T41-A45 PolarHBondContact O-N 2.99Å; Y42-A45 PolarHBondContact O-N 3.39Å; W43-A45 VanDerWaalsContact C-N 3.29Å; W43-A45 PolarHBondContact O-N 2.86Å
46	S	73.9	Confident	82.2	Confident	62 Å²	62	87.6 Å²	87.6	43%	0.434	46%	0.462	S	S	.	.	H	α-helix	trans	-102.4	-6.2	-174.4	66.4	0	0	0	0	114.3	Y42 W43	Y42-S46 WeakPolarHBondContact O-CB 3.35Å; Y42-S46 PolarHBondContact O-N 3.31Å; Y42-S46 PolarHBondContact O-OG 3.31Å; W43-S46 PolarHBondContact O-N 2.86Å
47	R	78.7	Confident	82.8	Confident	114 Å²	114	82.8 Å²	82.8	43%	0.43	44%	0.442	S	S	.	.	S	Bend	trans	-60.7	141.6	179	64.8	-177.3	-174	170.7	4.8	110.3	W43 K49	W43-R47 WeakPolarHBondContact O-CA 3.12Å; W43-R47 WeakPolarHBondContact O-CB 3.28Å; W43-R47 WeakPolarHBondContact O-CG 3.27Å; W43-R47 PolarHBondContact O-N 2.97Å; R47-K49 PolarHBondContact O-N 3.34Å
48	P	80.6	Confident	83.3	Confident	52 Å²	52	85.1 Å²	85.1	34%	0.338	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-56.4	134.9	172.7	-23.3	34.4	0	0	0	110.7	V405	P48-V405 HydrophobicContact CB-CB 4.44Å; P48-V405 HydrophobicContact CB-CG1 3.33Å; P48-V405 HydrophobicContact CB-CG2 4.22Å; P48-V405 HydrophobicContact CG-CG1 4.31Å
49	K	82.9	Confident	84.1	Confident	167 Å²	167	86 Å²	86	73%	0.726	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-98	140.7	176.9	-65.4	-178.1	-177.4	176.7	0	109.3	R47	R47-K49 PolarHBondContact O-N 3.34Å
50	A	86.2	Confident	84.7	Confident	59 Å²	59	80.7 Å²	80.7	49%	0.488	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63	143.1	169.6	0	0	0	0	0	109.8	K52 N403 G404	A50-K52 PolarHBondContact O-N 2.77Å; A50-N403 VanDerWaalsContact CB-O 3.26Å; A50-N403 WeakPolarHBondContact CB-O 3.31Å; A50-G404 CarbonylContact C-O 3.53Å; A50-G404 WeakPolarHBondContact CA-O 3.4Å
51	L	87	Confident	85.6	Confident	31 Å²	31	78.7 Å²	78.7	16%	0.162	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-62.2	133.1	169	-62.4	169.3	0	0	0	108.4	P53 H307 G404 M406 Q453	L51-P53 WeakPolarHBondContact O-CD 3.41Å; L51-H307 HydrophobicContact CD2-CB 4.48Å; L51-G404 PolarHBondContact N-O 3.49Å; L51-M406 HydrophobicContact CD1-CB 4.02Å; L51-M406 HydrophobicContact CD1-CE 3.94Å; L51-M406 HydrophobicContact CD1-CG 3.74Å; L51-M406 HydrophobicContact CD1-SD 4.3Å; L51-Q453 VanDerWaalsContact CD1-NE2 3.29Å
52	K	88	Confident	86.3	Confident	164 Å²	164	77 Å²	77	71%	0.713	40%	0.395	S	S	*	.			trans	-81.6	104.3	173.1	-178.8	179.4	177.7	-177.9	0	109.1	A50 H307	A50-K52 PolarHBondContact O-N 2.77Å; K52-H307 PolarHBondContact N-CE1 3.48Å; K52-H307 PolarHBondContact N-NE2 3Å; K52-H307 PolarHBondContact O-NE2 2.93Å
53	P	89.9	Confident	87.1	Confident	40 Å²	40	73.7 Å²	73.7	26%	0.26	39%	0.386	S	S	.	.			trans	-60.3	150.2	-175	-21.1	35.6	0	0	0	111.2	L51 C55 L57 P472	L51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-C55 WeakPolarHBondContact CB-O 3.12Å; P53-C55 PolarHBondContact O-N 3.06Å; P53-C55 VanDerWaalsContact O-N 3.17Å; P53-L57 HydrophobicContact CB-CD1 4.16Å; P53-L57 HydrophobicContact CB-CD2 3.81Å; P53-L57 HydrophobicContact CB-CG 3.82Å; P53-L57 HydrophobicContact CG-CD1 3.67Å; P53-L57 HydrophobicContact CG-CD2 4.27Å; P53-L57 HydrophobicContact CG-CG 3.8Å; P53-P472 WeakPolarHBondContact CA-O 3.46Å; P53-P472 WeakPolarHBondContact CB-O 3.27Å
54	P	90.2	Very high	87.6	Confident	26 Å²	26	68.4 Å²	68.4	17%	0.169	37%	0.368	C	S	.	.	S	Bend	trans	-61.1	-20.5	178.1	-24	34.4	0	0	0	114.4	L75 I306 M471 P472	P54-L75 HydrophobicContact CB-CD2 4.01Å; P54-I306 HydrophobicContact CB-CD1 3.96Å; P54-I306 HydrophobicContact CG-CD1 4.18Å; P54-M471 HydrophobicContact CB-SD 4Å; P54-M471 HydrophobicContact CG-CG 4.35Å; P54-M471 HydrophobicContact CG-SD 3.83Å; P54-P472 VanDerWaalsContact CD-O 3.31Å; P54-P472 WeakPolarHBondContact CD-O 3.38Å; P54-P472 HydrophobicContact CG-CB 4.2Å; P54-P472 HydrophobicContact CG-CG 4.03Å
55	C	92.2	Very high	87.9	Confident	24 Å²	24	68.1 Å²	68.1	16%	0.162	38%	0.377	C	S	.	.	S	Bend	trans	-146.5	175	178.1	67.5	0	0	0	0	111.1	P53 L57 V74 L75	P53-C55 WeakPolarHBondContact CB-O 3.12Å; P53-C55 PolarHBondContact O-N 3.06Å; P53-C55 VanDerWaalsContact O-N 3.17Å; C55-L57 PolarHBondContact O-N 2.95Å; C55-V74 HydrophobicContact CB-CB 4.44Å; C55-V74 HydrophobicContact CB-CG2 3.34Å; C55-L75 HydrophobicContact CB-CD2 4.33Å
56	D	93.3	Very high	88	Confident	99 Å²	99	67.9 Å²	67.9	53%	0.529	38%	0.381	S	S	.	.			trans	-64.2	123.1	168.5	-171.3	-18.9	0	0	0	110.1	T58 L59	D56-T58 PolarHBondContact O-N 2.83Å; D56-T58 WeakPolarHBondContact OD1-CB 3.36Å; D56-T58 PolarHBondContact OD1-N 3.27Å; D56-T58 PolarHBondContact OD1-OG1 2.94Å; D56-T58 PolarHBondContact OD2-OG1 3.34Å; D56-T58 VanDerWaalsContact OD2-OG1 3.13Å; D56-L59 CarbonylContact O-C 3.56Å; D56-L59 PolarHBondContact O-N 2.7Å
57	L	92.8	Very high	87.8	Confident	43 Å²	43	68 Å²	68	23%	0.225	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.5	-179.1	-65.2	-178.4	0	0	0	113.4	P53 C55 Q60 M471 G473 D474 N547	P53-L57 HydrophobicContact CB-CD1 4.16Å; P53-L57 HydrophobicContact CB-CD2 3.81Å; P53-L57 HydrophobicContact CB-CG 3.82Å; P53-L57 HydrophobicContact CG-CD1 3.67Å; P53-L57 HydrophobicContact CG-CD2 4.27Å; P53-L57 HydrophobicContact CG-CG 3.8Å; C55-L57 PolarHBondContact O-N 2.95Å; L57-Q60 HydrophobicContact CD2-CG 4.4Å; L57-Q60 PolarHBondContact O-NE2 2.95Å; L57-M471 HydrophobicContact CD2-CB 4.17Å; L57-M471 HydrophobicContact CD2-CG 4.15Å; L57-G473 WeakPolarHBondContact CD1-O 3.5Å; L57-D474 HydrophobicContact CD1-CB 4.43Å; L57-D474 HydrophobicContact CD2-CB 4.03Å; L57-N547 WeakPolarHBondContact O-CB 3.27Å; L57-N547 PolarHBondContact O-ND2 2.94Å
58	T	93.1	Very high	87.8	Confident	100 Å²	100	67.2 Å²	67.2	61%	0.613	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.6	172.7	71	0	0	0	0	112.8	D56 N547	D56-T58 PolarHBondContact O-N 2.83Å; D56-T58 WeakPolarHBondContact OD1-CB 3.36Å; D56-T58 PolarHBondContact OD1-N 3.27Å; D56-T58 PolarHBondContact OD1-OG1 2.94Å; D56-T58 PolarHBondContact OD2-OG1 3.34Å; D56-T58 VanDerWaalsContact OD2-OG1 3.13Å; T58-N547 VanDerWaalsContact O-CA 3.24Å; T58-N547 WeakPolarHBondContact O-CA 3.49Å; T58-N547 WeakPolarHBondContact O-CB 3.42Å
59	L	94.2	Very high	88.2	Confident	81 Å²	81	70.1 Å²	70.1	42%	0.424	40%	0.401	S	S	.	.			trans	-145.1	82.9	176.9	-175.5	68.2	0	0	0	109.3	D56 L62 V74	D56-L59 CarbonylContact O-C 3.56Å; D56-L59 PolarHBondContact O-N 2.7Å; L59-L62 HydrophobicContact CD1-CD2 4.36Å; L59-L62 HydrophobicContact CD2-CD2 3.84Å; L59-L62 HydrophobicContact CG-CD2 4.09Å; L59-V74 WeakPolarHBondContact O-CG1 3.4Å
60	Q	95.4	Very high	88.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.368	C	S	.	.			trans	-92.2	-10.3	-174.1	-62.1	-171.2	48.4	0	0	113.9	L57 V74 M471 D474 P482 N547 I549	L57-Q60 HydrophobicContact CD2-CG 4.4Å; L57-Q60 PolarHBondContact O-NE2 2.95Å; Q60-V74 WeakPolarHBondContact O-CG2 3.44Å; Q60-M471 VanDerWaalsContact OE1-CB 3.25Å; Q60-D474 PolarHBondContact NE2-OD2 3.47Å; Q60-P482 HydrophobicContact CB-CB 3.97Å; Q60-P482 HydrophobicContact CB-CG 3.95Å; Q60-P482 WeakPolarHBondContact O-CB 3.5Å; Q60-N547 PolarHBondContact N-O 3.42Å; Q60-I549 HydrophobicContact CB-CG2 3.82Å; Q60-I549 VanDerWaalsContact CD-CG2 3.44Å; Q60-I549 HydrophobicContact CG-CG2 4.06Å
61	S	95.3	Very high	89.1	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.4	174	66.2	0	0	0	0	110.9	R71 R72 G548	S61-R71 PolarHBondContact O-NH2 3.3Å; S61-R71 PolarHBondContact OG-NE 3.34Å; S61-R71 PolarHBondContact OG-NH2 3.19Å; S61-R72 CarbonylContact C-O 3.59Å; S61-R72 VanDerWaalsContact CA-O 3.22Å; S61-R72 WeakPolarHBondContact CA-O 3.42Å; S61-R72 WeakPolarHBondContact CB-O 3.48Å; S61-G548 VanDerWaalsContact CB-O 3.28Å; S61-G548 WeakPolarHBondContact CB-O 3.49Å; S61-G548 VanDerWaalsContact OG-C 3.25Å; S61-G548 WeakPolarHBondContact OG-CA 3.49Å; S61-G548 PolarHBondContact OG-O 3.38Å
62	L	94.1	Very high	89.5	Confident	57 Å²	57	61 Å²	61	30%	0.298	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	178.5	-58.2	176.5	0	0	0	109.8	L59 R71 R72 V74	L59-L62 HydrophobicContact CD1-CD2 4.36Å; L59-L62 HydrophobicContact CD2-CD2 3.84Å; L59-L62 HydrophobicContact CG-CD2 4.09Å; L62-R71 CarbonylContact O-C 3.59Å; L62-R71 WeakPolarHBondContact O-CA 3.27Å; L62-R72 PolarHBondContact N-O 2.94Å; L62-R72 PolarHBondContact O-N 3.14Å; L62-V74 HydrophobicContact CD1-CG1 4.25Å; L62-V74 HydrophobicContact CD2-CG1 3.93Å; L62-V74 HydrophobicContact CG-CG1 3.67Å
63	E	92.6	Very high	89.8	Confident	103 Å²	103	53.2 Å²	53.2	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.2	169.6	-168.1	169.3	151	0	0	109.7	R69 A70 R71	E63-R69 WeakPolarHBondContact OE1-CA 3.37Å; E63-A70 CarbonylContact C-O 3.58Å; E63-A70 WeakPolarHBondContact CA-O 3.42Å; E63-R71 IonicContact OE2-NH1 3.67Å
64	I	90.8	Very high	90	Very high	30 Å²	30	53 Å²	53	15%	0.154	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-81.5	131.2	178.2	-54.7	175.4	0	0	0	107.8	G66 A70 R72 A488	I64-G66 PolarHBondContact O-N 3.42Å; I64-A70 HydrophobicContact CB-CB 4.4Å; I64-A70 HydrophobicContact CD1-CB 4.09Å; I64-A70 HydrophobicContact CG1-CB 4.47Å; I64-A70 PolarHBondContact N-O 3.42Å; I64-R72 HydrophobicContact CD1-CB 4.08Å; I64-R72 HydrophobicContact CD1-CG 4.38Å; I64-R72 HydrophobicContact CG1-CB 4.16Å; I64-R72 HydrophobicContact CG1-CG 3.95Å; I64-A488 HydrophobicContact CD1-CB 3.56Å
65	P	82.3	Confident	90.2	Very high	101 Å²	101	52.8 Å²	52.8	66%	0.656	31%	0.31	S	S	*	.	S	Bend	trans	-56.4	138.3	174.1	-22.8	32.9	0	0	0	111.6	D79	P65-D79 WeakPolarHBondContact CD-OD2 3.28Å
66	G	74	Confident	90	Very high	72 Å²	72	52.4 Å²	52.4	74%	0.742	31%	0.306	S	S	*	.	S	Bend	trans	139.5	-1.2	176.9	0	0	0	0	0	116.5	I64 D68	I64-G66 PolarHBondContact O-N 3.42Å; G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.49Å
67	G	69.9	Low	89.3	Confident	64 Å²	64	54.8 Å²	54.8	66%	0.66	32%	0.319	S	S	*	.	S	Bend	trans	87.4	-13.8	172.4	0	0	0	0	0	115.9	R69	G67-R69 PolarHBondContact O-N 3.01Å
68	D	79.2	Confident	88.4	Confident	98 Å²	98	54.5 Å²	54.5	52%	0.524	32%	0.32	S	S	.	.	S	Bend	trans	-78.2	-2.8	-179.7	-73.1	-13	0	0	0	114.4	G66 A70	G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.49Å; D68-A70 PolarHBondContact O-N 3.28Å
69	R	88.5	Confident	87.2	Confident	113 Å²	113	53.7 Å²	53.7	43%	0.426	31%	0.312	S	S	.	.			trans	52.3	25.2	-175.6	-47	179.6	-155.4	-156.1	2.3	113.8	E63 G67 A501 A502	E63-R69 WeakPolarHBondContact OE1-CA 3.37Å; G67-R69 PolarHBondContact O-N 3.01Å; R69-A501 PolarHBondContact NH1-O 2.79Å; R69-A501 VanDerWaalsContact NH1-O 3.11Å; R69-A502 PolarHBondContact NH1-O 2.76Å; R69-A502 VanDerWaalsContact NH1-O 3.13Å
70	A	93.8	Very high	85.9	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.041	32%	0.316	C	S	.	.			trans	-64.7	141.8	173.3	0	0	0	0	0	109.2	E63 I64 D68 V489 K490 W535	E63-A70 CarbonylContact C-O 3.58Å; E63-A70 WeakPolarHBondContact CA-O 3.42Å; I64-A70 HydrophobicContact CB-CB 4.4Å; I64-A70 HydrophobicContact CD1-CB 4.09Å; I64-A70 HydrophobicContact CG1-CB 4.47Å; I64-A70 PolarHBondContact N-O 3.42Å; D68-A70 PolarHBondContact O-N 3.28Å; A70-V489 CarbonylContact C-O 3.59Å; A70-V489 WeakPolarHBondContact CA-O 3.37Å; A70-K490 HydrophobicContact CB-CB 3.97Å; A70-W535 HydrophobicContact CB-CH2 3.66Å; A70-W535 HydrophobicContact CB-CZ2 4.01Å
71	R	95.1	Very high	85.2	Confident	38 Å²	38	58.7 Å²	58.7	14%	0.143	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.3	178.9	-54	-174.5	71.6	90	-1.8	110.4	S61 L62 E63 P483 A488 V489 W544	S61-R71 PolarHBondContact O-NH2 3.3Å; S61-R71 PolarHBondContact OG-NE 3.34Å; S61-R71 PolarHBondContact OG-NH2 3.19Å; L62-R71 CarbonylContact O-C 3.59Å; L62-R71 WeakPolarHBondContact O-CA 3.27Å; E63-R71 IonicContact OE2-NH1 3.67Å; R71-P483 HydrophobicContact CB-CG 4.46Å; R71-P483 WeakPolarHBondContact O-CG 3.27Å; R71-A488 CarbonylContact O-C 3.35Å; R71-A488 VanDerWaalsContact O-CA 3.25Å; R71-A488 WeakPolarHBondContact O-CA 3.31Å; R71-A488 WeakPolarHBondContact O-CB 3.37Å; R71-V489 PolarHBondContact N-O 3.44Å; R71-V489 PolarHBondContact O-N 3Å; R71-W544 HydrophobicContact CB-CH2 3.96Å; R71-W544 HydrophobicContact CB-CZ2 3.87Å; R71-W544 VanDerWaalsContact CD-CE2 3.42Å; R71-W544 HydrophobicContact CG-CH2 4.31Å; R71-W544 HydrophobicContact CG-CZ2 3.87Å
72	R	94.7	Very high	85	Confident	24 Å²	24	61 Å²	61	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	168.6	174.6	62.9	169.7	-179.3	95.8	-13.9	111.4	S61 L62 I64 N76 D79	S61-R72 CarbonylContact C-O 3.59Å; S61-R72 VanDerWaalsContact CA-O 3.22Å; S61-R72 WeakPolarHBondContact CA-O 3.42Å; S61-R72 WeakPolarHBondContact CB-O 3.48Å; L62-R72 PolarHBondContact N-O 2.94Å; L62-R72 PolarHBondContact O-N 3.14Å; I64-R72 HydrophobicContact CD1-CB 4.08Å; I64-R72 HydrophobicContact CD1-CG 4.38Å; I64-R72 HydrophobicContact CG1-CB 4.16Å; I64-R72 HydrophobicContact CG1-CG 3.95Å; R72-N76 PolarHBondContact NH1-O 2.73Å; R72-N76 VanDerWaalsContact NH1-O 3.11Å; R72-D79 IonicContact CZ-OD1 3.53Å; R72-D79 IonicContact NE-OD1 2.74Å; R72-D79 PolarHBondContact NE-OD1 2.87Å; R72-D79 IonicContact NH2-OD1 3.95Å; R72-D79 PolarHBondContact NH2-OD1 3.25Å
73	S	94.9	Very high	85.1	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.3	172.9	-154.3	0	0	0	0	111.3	L75 N76 P483	S73-L75 PolarHBondContact O-N 3.15Å; S73-L75 PolarHBondContact OG-N 3.26Å; S73-N76 WeakPolarHBondContact CB-OD1 3.42Å; S73-N76 PolarHBondContact O-N 3Å; S73-N76 PolarHBondContact O-OD1 3Å; S73-P483 VanDerWaalsContact CB-O 3.23Å; S73-P483 WeakPolarHBondContact CB-O 3.26Å; S73-P483 PolarHBondContact OG-O 3.11Å
74	V	94.4	Very high	85.2	Confident	36 Å²	36	58.5 Å²	58.5	22%	0.218	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	165.4	-71.6	0	0	0	0	112.7	C55 L59 Q60 L62 N76	C55-V74 HydrophobicContact CB-CB 4.44Å; C55-V74 HydrophobicContact CB-CG2 3.34Å; L59-V74 WeakPolarHBondContact O-CG1 3.4Å; Q60-V74 WeakPolarHBondContact O-CG2 3.44Å; L62-V74 HydrophobicContact CD1-CG1 4.25Å; L62-V74 HydrophobicContact CD2-CG1 3.93Å; L62-V74 HydrophobicContact CG-CG1 3.67Å; V74-N76 VanDerWaalsContact C-N 3.26Å; V74-N76 PolarHBondContact O-N 3Å
75	L	93.3	Very high	85.5	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.11	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.9	178.8	-55	-179	0	0	0	113.3	P54 C55 S73 K302 V303 M471 P485	P54-L75 HydrophobicContact CB-CD2 4.01Å; C55-L75 HydrophobicContact CB-CD2 4.33Å; S73-L75 PolarHBondContact O-N 3.15Å; S73-L75 PolarHBondContact OG-N 3.26Å; L75-K302 HydrophobicContact CB-CG 4.48Å; L75-K302 WeakPolarHBondContact O-CE 3.47Å; L75-V303 HydrophobicContact CD1-CB 4.48Å; L75-V303 HydrophobicContact CD1-CG2 3.91Å; L75-M471 HydrophobicContact CD1-CE 4.13Å; L75-M471 HydrophobicContact CD1-SD 4.21Å; L75-P485 HydrophobicContact CB-CG 4.06Å; L75-P485 HydrophobicContact CD1-CG 4.46Å
76	N	89.3	Confident	86.2	Confident	16 Å²	16	58.8 Å²	58.8	9%	0.086	34%	0.337	C	S	.	.			trans	-82.4	134.1	170.9	-70.5	101	0	0	0	110.4	R72 S73 V74 S78 E81 P485	R72-N76 PolarHBondContact NH1-O 2.73Å; R72-N76 VanDerWaalsContact NH1-O 3.11Å; S73-N76 WeakPolarHBondContact CB-OD1 3.42Å; S73-N76 PolarHBondContact O-N 3Å; S73-N76 PolarHBondContact O-OD1 3Å; V74-N76 VanDerWaalsContact C-N 3.26Å; V74-N76 PolarHBondContact O-N 3Å; N76-S78 VanDerWaalsContact C-N 3.33Å; N76-S78 PolarHBondContact O-N 2.8Å; N76-E81 PolarHBondContact ND2-O 2.97Å; N76-P485 PolarHBondContact ND2-O 3.32Å; N76-P485 WeakPolarHBondContact OD1-CA 3.49Å
77	D	78.3	Confident	87.3	Confident	149 Å²	149	57.6 Å²	57.6	80%	0.797	31%	0.31	S	S	*	.	S	Bend	trans	-71.8	-26.7	-177.6	-59.4	-42.7	0	0	0	112.6
78	S	72.9	Confident	88.5	Confident	37 Å²	37	59 Å²	59	26%	0.259	31%	0.31	S	S	.	.	S	Bend	trans	-144.8	164.3	-177.1	67.9	0	0	0	0	112.4	N76 E81	N76-S78 VanDerWaalsContact C-N 3.33Å; N76-S78 PolarHBondContact O-N 2.8Å; S78-E81 VanDerWaalsContact OG-CB 3.31Å; S78-E81 WeakPolarHBondContact OG-CB 3.47Å; S78-E81 VanDerWaalsContact OG-CD 3.22Å; S78-E81 VanDerWaalsContact OG-CG 3.27Å; S78-E81 WeakPolarHBondContact OG-CG 3.22Å; S78-E81 PolarHBondContact OG-OE2 2.85Å
79	D	69.3	Low	89.3	Confident	82 Å²	82	57 Å²	57	44%	0.439	30%	0.3	S	S	.	.	S	Bend	trans	-74.4	134.8	171.2	-69.9	-26	0	0	0	110.3	P65 R72 E81	P65-D79 WeakPolarHBondContact CD-OD2 3.28Å; R72-D79 IonicContact CZ-OD1 3.53Å; R72-D79 IonicContact NE-OD1 2.74Å; R72-D79 PolarHBondContact NE-OD1 2.87Å; R72-D79 IonicContact NH2-OD1 3.95Å; R72-D79 PolarHBondContact NH2-OD1 3.25Å; D79-E81 VanDerWaalsContact C-N 3.3Å; D79-E81 PolarHBondContact O-N 3.15Å
80	G	65.3	Low	89.7	Confident	50 Å²	50	51.7 Å²	51.7	52%	0.515	28%	0.279	S	S	.	.	S	Bend	trans	82.9	-10.6	173.8	0	0	0	0	0	116.2	Y82	G80-Y82 PolarHBondContact O-N 2.8Å
81	E	80.4	Confident	89.9	Confident	137 Å²	137	54.9 Å²	54.9	64%	0.64	29%	0.294	S	S	*	.			trans	-91.4	100	172.3	-65.6	-174.4	150.4	0	0	111.3	N76 S78 D79	N76-E81 PolarHBondContact ND2-O 2.97Å; S78-E81 VanDerWaalsContact OG-CB 3.31Å; S78-E81 WeakPolarHBondContact OG-CB 3.47Å; S78-E81 VanDerWaalsContact OG-CD 3.22Å; S78-E81 VanDerWaalsContact OG-CG 3.27Å; S78-E81 WeakPolarHBondContact OG-CG 3.22Å; S78-E81 PolarHBondContact OG-OE2 2.85Å; D79-E81 VanDerWaalsContact C-N 3.3Å; D79-E81 PolarHBondContact O-N 3.15Å
82	Y	92.8	Very high	90.1	Very high	49 Å²	49	53.1 Å²	53.1	19%	0.192	29%	0.287	C	S	.	.			trans	-80.7	124.6	172.9	-58.5	-51.1	0	0	0	110.6	G80 T84 C486 A488 K511 S513	G80-Y82 PolarHBondContact O-N 2.8Å; Y82-T84 PolarHBondContact O-N 2.85Å; Y82-C486 WeakPolarHBondContact CB-O 3.34Å; Y82-A488 HydrophobicContact CE1-CB 3.72Å; Y82-A488 WeakPolarHBondContact OH-CB 3.43Å; Y82-K511 HydrophobicContact CE2-CG 4.23Å; Y82-S513 WeakPolarHBondContact CB-OG 3.4Å; Y82-S513 PolarHBondContact O-OG 3.17Å
83	M	94.9	Very high	90.3	Very high	36 Å²	36	53.1 Å²	53.1	18%	0.177	29%	0.289	C	S	.	.			trans	-53.9	124.1	179.2	177.8	169.2	-76.6	0	0	111.3	S295 A298 K302 P485 C486	M83-S295 VanDerWaalsContact O-CB 3.31Å; M83-S295 WeakPolarHBondContact O-CB 3.4Å; M83-A298 HydrophobicContact CG-CB 3.97Å; M83-A298 HydrophobicContact SD-CB 3.89Å; M83-K302 HydrophobicContact CE-CB 4.05Å; M83-K302 HydrophobicContact CE-CD 3.88Å; M83-K302 HydrophobicContact CE-CG 3.86Å; M83-K302 HydrophobicContact SD-CB 3.88Å; M83-K302 HydrophobicContact SD-CG 4.3Å; M83-P485 HydrophobicContact CB-CB 4.11Å; M83-P485 WeakPolarHBondContact CB-O 3.35Å; M83-P485 PolarHBondContact N-O 3.46Å; M83-P485 HydrophobicContact SD-CB 4.33Å; M83-C486 VanDerWaalsContact O-CB 3.3Å; M83-C486 WeakPolarHBondContact O-CB 3.49Å
84	T	96.1	Very high	90.4	Very high	71 Å²	71	54.6 Å²	54.6	44%	0.436	29%	0.294	S	S	.	.			trans	-100.3	-33.1	178.8	50.5	0	0	0	0	113.1	Y82 I294 S295	Y82-T84 PolarHBondContact O-N 2.85Å; T84-I294 CarbonylContact O-C 3.43Å; T84-S295 VanDerWaalsContact O-CA 3.25Å; T84-S295 WeakPolarHBondContact O-CA 3.38Å; T84-S295 PolarHBondContact O-N 3.46Å
85	H	96.6	Very high	90.6	Very high	64 Å²	64	56 Å²	56	30%	0.296	30%	0.299	S	S	.	.			trans	-154.4	159.4	-178.8	58.9	-96.6	0	0	0	110.1	Q91 I294 A298	H85-Q91 HydrophobicContact CB-CG 4.34Å; H85-I294 HydrophobicContact CB-CG2 3.91Å; H85-A298 VanDerWaalsContact C-CB 3.44Å
86	Y	96.4	Very high	90.9	Very high	72 Å²	72	55 Å²	55	28%	0.282	29%	0.294	S	S	.	.	S	Bend	trans	-105.1	-38.5	174.7	-175.6	-89.2	0	0	0	111.6	A298 I301 K302 Q305 M309	Y86-A298 VanDerWaalsContact N-CB 3.32Å; Y86-I301 HydrophobicContact CD1-CG2 3.72Å; Y86-I301 HydrophobicContact CD2-CB 4.29Å; Y86-I301 HydrophobicContact CD2-CG2 3.82Å; Y86-I301 HydrophobicContact CE1-CG2 3.75Å; Y86-I301 HydrophobicContact CE2-CG2 3.85Å; Y86-I301 HydrophobicContact CG-CB 4.25Å; Y86-I301 HydrophobicContact CG-CG2 3.75Å; Y86-K302 HydrophobicContact CD2-CB 4.37Å; Y86-K302 HydrophobicContact CE2-CD 4.41Å; Y86-Q305 PolarHBondContact OH-OE1 2.83Å; Y86-M309 HydrophobicContact CE1-CE 4.3Å
87	Y	96.9	Very high	91.3	Very high	47 Å²	47	54.5 Å²	54.5	18%	0.184	29%	0.291	C	S	.	.	S	Bend	trans	-107.9	131.3	173.9	-63	-69.6	0	0	0	109.7	D89 A90 R99 M309 I336	Y87-D89 WeakPolarHBondContact CB-OD1 3.23Å; Y87-D89 PolarHBondContact O-N 3.01Å; Y87-A90 PolarHBondContact O-N 2.83Å; Y87-R99 VanDerWaalsContact CD1-CZ 3.46Å; Y87-R99 VanDerWaalsContact CD1-NH2 3.29Å; Y87-M309 WeakPolarHBondContact OH-CE 3.14Å; Y87-I336 HydrophobicContact CD2-CD1 3.6Å; Y87-I336 HydrophobicContact CD2-CG1 3.98Å; Y87-I336 HydrophobicContact CE2-CD1 4.19Å; Y87-I336 HydrophobicContact CE2-CG1 4.33Å
88	S	95.8	Very high	92.3	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.6	-177.2	52	0	0	0	0	113.7	Q91	S88-Q91 PolarHBondContact O-NE2 3.33Å
89	D	96	Very high	93.5	Very high	57 Å²	57	50.3 Å²	50.3	31%	0.305	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	10.7	179.4	71.8	-34.8	0	0	0	113.7	Y87 R99 R102	Y87-D89 WeakPolarHBondContact CB-OD1 3.23Å; Y87-D89 PolarHBondContact O-N 3.01Å; D89-R99 VanDerWaalsContact CG-NH1 3.28Å; D89-R99 IonicContact OD1-CZ 3.17Å; D89-R99 IonicContact OD1-NE 2.71Å; D89-R99 IonicContact OD1-NH1 3.42Å; D89-R99 PolarHBondContact OD1-NH1 2.6Å; D89-R99 IonicContact OD2-NH1 3.41Å; D89-R99 PolarHBondContact OD2-NH1 2.87Å; D89-R102 IonicContact OD2-CZ 3.59Å; D89-R102 VanDerWaalsContact OD2-CZ 3.3Å; D89-R102 IonicContact OD2-NH1 3.99Å; D89-R102 PolarHBondContact OD2-NH1 2.99Å; D89-R102 IonicContact OD2-NH2 3.8Å; D89-R102 PolarHBondContact OD2-NH2 3.46Å
90	A	97.4	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.			trans	-141.1	79.7	176.9	0	0	0	0	0	110.7	Y87 E95 V96 R99 I294 I336	Y87-A90 PolarHBondContact O-N 2.83Å; A90-E95 HydrophobicContact CB-CB 4.49Å; A90-V96 HydrophobicContact CB-CG2 4.12Å; A90-R99 HydrophobicContact CB-CB 4.45Å; A90-I294 WeakPolarHBondContact O-CG2 3.33Å; A90-I336 HydrophobicContact CB-CD1 3.94Å; A90-I336 HydrophobicContact CB-CG1 4.21Å
91	Q	98.1	Very high	96.4	Very high	73 Å²	73	45.1 Å²	45.1	34%	0.341	22%	0.222	S	C	.	.	S	Bend	trans	-106.8	-9.1	-179	-57	-173.4	38.4	0	0	112.8	H85 S88 E95 P267 I294	H85-Q91 HydrophobicContact CB-CG 4.34Å; S88-Q91 PolarHBondContact O-NE2 3.33Å; Q91-E95 WeakPolarHBondContact CA-OE2 3.3Å; Q91-E95 PolarHBondContact N-OE2 3.18Å; Q91-P267 HydrophobicContact CB-CG 3.92Å; Q91-I294 WeakPolarHBondContact O-CG1 3.43Å
92	T	98.6	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-126.9	164	169	69.3	0	0	0	0	112.4	Y94 E95 V96 P265 P267 H290	T92-Y94 PolarHBondContact O-N 3.23Å; T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 PolarHBondContact O-N 3.46Å; T92-E95 WeakPolarHBondContact OG1-CG 3.23Å; T92-E95 PolarHBondContact OG1-N 3.31Å; T92-E95 PolarHBondContact OG1-OE2 3.11Å; T92-V96 WeakPolarHBondContact O-CG2 3.44Å; T92-V96 PolarHBondContact O-N 2.96Å; T92-P265 HydrophobicContact CG2-CG 4.3Å; T92-P265 WeakPolarHBondContact CG2-O 3.42Å; T92-P267 HydrophobicContact CG2-CG 4.2Å; T92-H290 HydrophobicContact CG2-CB 4.03Å
93	I	97.8	Very high	97.5	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-30.9	178.8	-51	168.8	0	0	0	111	V96 F97 Y169 A271 H290 V293 I294	I93-V96 WeakPolarHBondContact O-CB 3.35Å; I93-V96 PolarHBondContact O-N 3.12Å; I93-F97 PolarHBondContact O-N 3.49Å; I93-Y169 HydrophobicContact CB-CD2 3.94Å; I93-Y169 HydrophobicContact CB-CE2 3.97Å; I93-Y169 HydrophobicContact CD1-CE1 4.41Å; I93-Y169 HydrophobicContact CD1-CE2 4Å; I93-Y169 HydrophobicContact CG2-CD2 3.67Å; I93-Y169 HydrophobicContact CG2-CE2 3.49Å; I93-Y169 VanDerWaalsContact CG2-CE2 3.49Å; I93-A271 HydrophobicContact CD1-CB 3.78Å; I93-H290 PolarHBondContact N-ND1 3.36Å; I93-V293 HydrophobicContact CD1-CB 3.8Å; I93-V293 HydrophobicContact CD1-CG1 3.86Å; I93-V293 HydrophobicContact CD1-CG2 3.83Å; I93-V293 HydrophobicContact CG1-CB 4.05Å; I93-V293 HydrophobicContact CG1-CG1 4.02Å; I93-I294 HydrophobicContact CG1-CD1 4.16Å
94	Y	98.4	Very high	97.7	Very high	30 Å²	30	44.5 Å²	44.5	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-50.6	170.2	173.5	-97.5	0	0	0	111	T92 V96 F97 M98 T170 P264	T92-Y94 PolarHBondContact O-N 3.23Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 3.49Å; Y94-F97 WeakPolarHBondContact O-CB 3.4Å; Y94-F97 PolarHBondContact O-N 2.82Å; Y94-F97 VanDerWaalsContact O-N 3.07Å; Y94-M98 HydrophobicContact CD1-CG 4.14Å; Y94-M98 HydrophobicContact CE1-CG 3.68Å; Y94-M98 HydrophobicContact CE2-CG 4.17Å; Y94-M98 HydrophobicContact CE2-SD 4.24Å; Y94-M98 WeakPolarHBondContact O-CG 3.44Å; Y94-M98 PolarHBondContact O-N 2.92Å; Y94-T170 HydrophobicContact CE2-CG2 4.08Å; Y94-P264 HydrophobicContact CD1-CB 3.6Å; Y94-P264 HydrophobicContact CD1-CG 3.88Å; Y94-P264 HydrophobicContact CE1-CB 3.75Å; Y94-P264 HydrophobicContact CE1-CG 3.46Å; Y94-P264 VanDerWaalsContact CE1-CG 3.46Å; Y94-P264 HydrophobicContact CG-CB 4.23Å
95	E	98.6	Very high	97.7	Very high	66 Å²	66	48.1 Å²	48.1	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-32.9	179.3	-66.7	167.6	155.1	0	0	112.6	A90 Q91 T92 F97 M98 R99	A90-E95 HydrophobicContact CB-CB 4.49Å; Q91-E95 WeakPolarHBondContact CA-OE2 3.3Å; Q91-E95 PolarHBondContact N-OE2 3.18Å; T92-E95 PolarHBondContact N-OE2 2.85Å; T92-E95 PolarHBondContact O-N 3.46Å; T92-E95 WeakPolarHBondContact OG1-CG 3.23Å; T92-E95 PolarHBondContact OG1-N 3.31Å; T92-E95 PolarHBondContact OG1-OE2 3.11Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 2.91Å; E95-M98 PolarHBondContact O-N 3.38Å; E95-R99 VanDerWaalsContact O-CB 3.28Å; E95-R99 WeakPolarHBondContact O-CB 3.42Å; E95-R99 PolarHBondContact O-N 3.03Å
96	V	98.3	Very high	97.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-54.4	-47.6	169.4	157.6	0	0	0	0	111.1	A90 T92 I93 Y94 R99 G100 I294 L335 I336	A90-V96 HydrophobicContact CB-CG2 4.12Å; T92-V96 WeakPolarHBondContact O-CG2 3.44Å; T92-V96 PolarHBondContact O-N 2.96Å; I93-V96 WeakPolarHBondContact O-CB 3.35Å; I93-V96 PolarHBondContact O-N 3.12Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 3.49Å; V96-R99 PolarHBondContact O-N 2.99Å; V96-G100 PolarHBondContact O-N 3.46Å; V96-I294 HydrophobicContact CB-CD1 4.47Å; V96-I294 HydrophobicContact CG2-CD1 3.36Å; V96-L335 HydrophobicContact CG1-CB 4.16Å; V96-I336 HydrophobicContact CB-CB 4.46Å; V96-I336 HydrophobicContact CB-CG1 4.47Å; V96-I336 HydrophobicContact CG1-CB 3.8Å; V96-I336 HydrophobicContact CG1-CG1 4.33Å; V96-I336 HydrophobicContact CG2-CB 4.27Å; V96-I336 HydrophobicContact CG2-CD1 3.81Å; V96-I336 HydrophobicContact CG2-CG1 4.02Å
97	F	98.5	Very high	97.9	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.022	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-45.3	179.2	-160.8	-79.9	0	0	0	111.5	I93 Y94 E95 R99 G100 L101 Y124 V127 V128 L166 L335	I93-F97 PolarHBondContact O-N 3.49Å; Y94-F97 WeakPolarHBondContact O-CB 3.4Å; Y94-F97 PolarHBondContact O-N 2.82Å; Y94-F97 VanDerWaalsContact O-N 3.07Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 2.91Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 2.8Å; F97-G100 WeakPolarHBondContact O-CA 3.38Å; F97-G100 PolarHBondContact O-N 2.91Å; F97-L101 PolarHBondContact O-N 2.88Å; F97-Y124 HydrophobicContact CD1-CD1 4.25Å; F97-Y124 AromaticContact CE1-CD1 3.6Å; F97-Y124 HydrophobicContact CE1-CD1 3.6Å; F97-Y124 HydrophobicContact CE1-CE1 4.3Å; F97-Y124 HydrophobicContact CE2-CD1 4.38Å; F97-Y124 HydrophobicContact CE2-CE1 4.38Å; F97-Y124 AromaticContact CZ-CD1 3.66Å; F97-Y124 HydrophobicContact CZ-CD1 3.66Å; F97-Y124 HydrophobicContact CZ-CE1 4.1Å; F97-V127 HydrophobicContact CE1-CB 4.35Å; F97-V127 HydrophobicContact CE1-CG1 3.99Å; F97-V127 HydrophobicContact CE2-CG1 3.78Å; F97-V127 HydrophobicContact CZ-CB 3.77Å; F97-V127 HydrophobicContact CZ-CG1 3.23Å; F97-V128 HydrophobicContact CD1-CG2 3.89Å; F97-V128 HydrophobicContact CE1-CG2 3.65Å; F97-L166 HydrophobicContact CB-CD1 3.78Å; F97-L166 HydrophobicContact CD1-CD1 4.36Å; F97-L166 HydrophobicContact CD1-CD2 3.64Å; F97-L166 HydrophobicContact CD2-CD1 4.12Å; F97-L166 HydrophobicContact CD2-CD2 3.77Å; F97-L166 HydrophobicContact CE1-CD2 3.72Å; F97-L166 HydrophobicContact CE2-CD2 3.85Å; F97-L166 HydrophobicContact CG-CD1 3.81Å; F97-L166 HydrophobicContact CG-CD2 3.68Å; F97-L166 HydrophobicContact CG-CG 4.41Å; F97-L166 HydrophobicContact CZ-CD2 3.85Å; F97-L335 HydrophobicContact CD2-CD1 4.09Å; F97-L335 HydrophobicContact CD2-CD2 4.33Å; F97-L335 HydrophobicContact CE2-CD1 4.33Å; F97-L335 HydrophobicContact CE2-CD2 4Å
98	M	98.5	Very high	98	Very high	59 Å²	59	46.3 Å²	46.3	29%	0.291	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-36.6	178.9	-63.5	-52.6	-66.9	0	0	112.5	Y94 E95 L101 R102 V128	Y94-M98 HydrophobicContact CD1-CG 4.14Å; Y94-M98 HydrophobicContact CE1-CG 3.68Å; Y94-M98 HydrophobicContact CE2-CG 4.17Å; Y94-M98 HydrophobicContact CE2-SD 4.24Å; Y94-M98 WeakPolarHBondContact O-CG 3.44Å; Y94-M98 PolarHBondContact O-N 2.92Å; E95-M98 PolarHBondContact O-N 3.38Å; M98-L101 HydrophobicContact CE-CD2 4.12Å; M98-L101 PolarHBondContact O-N 2.9Å; M98-R102 PolarHBondContact O-N 3.08Å; M98-R102 VanDerWaalsContact O-N 3.14Å; M98-V128 HydrophobicContact SD-CG2 4.24Å
99	R	98.3	Very high	98.1	Very high	38 Å²	38	41.8 Å²	41.8	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-45.2	170.4	173.7	170	-179.7	88.9	9.8	111	Y87 D89 A90 E95 V96 F97 L101 R102 V103 I336	Y87-R99 VanDerWaalsContact CD1-CZ 3.46Å; Y87-R99 VanDerWaalsContact CD1-NH2 3.29Å; D89-R99 VanDerWaalsContact CG-NH1 3.28Å; D89-R99 IonicContact OD1-CZ 3.17Å; D89-R99 IonicContact OD1-NE 2.71Å; D89-R99 IonicContact OD1-NH1 3.42Å; D89-R99 PolarHBondContact OD1-NH1 2.6Å; D89-R99 IonicContact OD2-NH1 3.41Å; D89-R99 PolarHBondContact OD2-NH1 2.87Å; A90-R99 HydrophobicContact CB-CB 4.45Å; E95-R99 VanDerWaalsContact O-CB 3.28Å; E95-R99 WeakPolarHBondContact O-CB 3.42Å; E95-R99 PolarHBondContact O-N 3.03Å; V96-R99 PolarHBondContact O-N 2.99Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 2.8Å; R99-L101 PolarHBondContact O-N 2.77Å; R99-R102 PolarHBondContact O-N 3.01Å; R99-V103 HydrophobicContact CG-CG2 4.03Å; R99-V103 WeakPolarHBondContact O-CB 3.3Å; R99-V103 VanDerWaalsContact O-CG2 3.28Å; R99-V103 WeakPolarHBondContact O-CG2 3.19Å; R99-V103 PolarHBondContact O-N 2.85Å; R99-I336 HydrophobicContact CG-CG1 4.43Å
100	G	98.3	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56	-46.2	174.9	0	0	0	0	0	113.5	V96 F97 R102 V103 S104 L335 G338	V96-G100 PolarHBondContact O-N 3.46Å; F97-G100 WeakPolarHBondContact O-CA 3.38Å; F97-G100 PolarHBondContact O-N 2.91Å; G100-R102 VanDerWaalsContact C-N 3.34Å; G100-R102 PolarHBondContact O-N 3.42Å; G100-V103 PolarHBondContact O-N 3.24Å; G100-S104 WeakPolarHBondContact O-CB 3.49Å; G100-S104 PolarHBondContact O-N 2.97Å; G100-S104 PolarHBondContact O-OG 2.82Å; G100-L335 WeakPolarHBondContact CA-O 3.2Å; G100-G338 WeakPolarHBondContact O-CA 3.35Å
101	L	98.5	Very high	98.3	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-55.9	-48	174.1	168.9	61.4	0	0	0	111.5	F97 M98 R99 S104 N105 N106 Y124 Q125 V128	F97-L101 PolarHBondContact O-N 2.88Å; M98-L101 HydrophobicContact CE-CD2 4.12Å; M98-L101 PolarHBondContact O-N 2.9Å; R99-L101 PolarHBondContact O-N 2.77Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-S104 VanDerWaalsContact O-OG 3.13Å; L101-N105 PolarHBondContact O-N 2.92Å; L101-N106 HydrophobicContact CD1-CB 4.03Å; L101-N106 PolarHBondContact O-N 3.03Å; L101-N106 VanDerWaalsContact O-N 3.12Å; L101-Y124 HydrophobicContact CB-CD1 4.07Å; L101-Y124 HydrophobicContact CB-CG 4.29Å; L101-Y124 VanDerWaalsContact CD1-CB 3.47Å; L101-Q125 HydrophobicContact CD1-CB 4.4Å; L101-V128 HydrophobicContact CD2-CG2 4.19Å
102	R	98.2	Very high	98.2	Very high	139 Å²	139	38 Å²	38	53%	0.525	20%	0.198	S	C	.	.	H	α-helix	trans	-68.3	-44	-179.7	-171.1	-175.4	64.3	-122	-10.6	112.6	D89 M98 R99 G100 N105	D89-R102 IonicContact OD2-CZ 3.59Å; D89-R102 VanDerWaalsContact OD2-CZ 3.3Å; D89-R102 IonicContact OD2-NH1 3.99Å; D89-R102 PolarHBondContact OD2-NH1 2.99Å; D89-R102 IonicContact OD2-NH2 3.8Å; D89-R102 PolarHBondContact OD2-NH2 3.46Å; M98-R102 PolarHBondContact O-N 3.08Å; M98-R102 VanDerWaalsContact O-N 3.14Å; R99-R102 PolarHBondContact O-N 3.01Å; G100-R102 VanDerWaalsContact C-N 3.34Å; G100-R102 PolarHBondContact O-N 3.42Å; R102-N105 PolarHBondContact O-N 2.62Å
103	V	97.8	Very high	98.1	Very high	57 Å²	57	39.1 Å²	39.1	35%	0.345	20%	0.202	S	C	.	.	H	α-helix	trans	-70.2	-37.2	-178	171.3	0	0	0	0	111.6	R99 G100 N105	R99-V103 HydrophobicContact CG-CG2 4.03Å; R99-V103 WeakPolarHBondContact O-CB 3.3Å; R99-V103 VanDerWaalsContact O-CG2 3.28Å; R99-V103 WeakPolarHBondContact O-CG2 3.19Å; R99-V103 PolarHBondContact O-N 2.85Å; G100-V103 PolarHBondContact O-N 3.24Å; V103-N105 PolarHBondContact O-N 2.9Å
104	S	97.8	Very high	97.7	Very high	13 Å²	13	44.6 Å²	44.6	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-75.5	-13.5	176.3	67	0	0	0	0	113.4	G100 L101 N106 G107 Y124 G338	G100-S104 WeakPolarHBondContact O-CB 3.49Å; G100-S104 PolarHBondContact O-N 2.97Å; G100-S104 PolarHBondContact O-OG 2.82Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-S104 VanDerWaalsContact O-OG 3.13Å; S104-N106 PolarHBondContact OG-N 3.42Å; S104-G107 PolarHBondContact O-N 3.27Å; S104-G107 PolarHBondContact OG-N 2.85Å; S104-Y124 WeakPolarHBondContact OG-CD2 3.36Å; S104-G338 WeakPolarHBondContact CB-O 3.43Å
105	N	97.9	Very high	97.3	Very high	146 Å²	146	47.1 Å²	47.1	78%	0.781	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	52.3	-168.9	-172.1	45.8	0	0	0	111.7	L101 R102 V103 G107	L101-N105 PolarHBondContact O-N 2.92Å; R102-N105 PolarHBondContact O-N 2.62Å; V103-N105 PolarHBondContact O-N 2.9Å; N105-G107 VanDerWaalsContact C-N 3.32Å; N105-G107 PolarHBondContact O-N 2.96Å
106	N	98.1	Very high	96.8	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.364	27%	0.267	S	S	.	.	S	Bend	trans	56.6	40.7	-174.3	-167.4	31	0	0	0	114	L101 S104 S123 Y124 Q125	L101-N106 HydrophobicContact CD1-CB 4.03Å; L101-N106 PolarHBondContact O-N 3.03Å; L101-N106 VanDerWaalsContact O-N 3.12Å; S104-N106 PolarHBondContact OG-N 3.42Å; N106-S123 WeakPolarHBondContact OD1-CB 3.19Å; N106-Y124 PolarHBondContact OD1-N 3.1Å; N106-Q125 WeakPolarHBondContact OD1-CB 3.44Å; N106-Q125 PolarHBondContact OD1-N 3.27Å
107	G	98	Very high	96.6	Very high	17 Å²	17	54.9 Å²	54.9	18%	0.175	29%	0.286	C	S	.	.			trans	-70.1	179.8	176.9	0	0	0	0	0	113.3	S104 N105 C109 S123 Y124	S104-G107 PolarHBondContact O-N 3.27Å; S104-G107 PolarHBondContact OG-N 2.85Å; N105-G107 VanDerWaalsContact C-N 3.32Å; N105-G107 PolarHBondContact O-N 2.96Å; G107-C109 PolarHBondContact O-N 2.91Å; G107-S123 WeakPolarHBondContact O-CA 3.34Å; G107-Y124 WeakPolarHBondContact O-CD2 3.4Å; G107-Y124 PolarHBondContact O-N 3.04Å; G107-Y124 VanDerWaalsContact O-N 3.11Å
108	P	98.4	Very high	96.5	Very high	60 Å²	60	59.3 Å²	59.3	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137	169.9	-20.5	32.3	0	0	0	111	W121 R340	P108-W121 HydrophobicContact CB-CB 4Å; P108-W121 HydrophobicContact CB-CD2 4.18Å; P108-W121 HydrophobicContact CB-CE3 4.17Å; P108-W121 HydrophobicContact CB-CG 4.12Å; P108-R340 VanDerWaalsContact O-CB 3.31Å; P108-R340 WeakPolarHBondContact O-CB 3.4Å
109	C	98.7	Very high	96.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-67.5	-175	-175.2	0	0	0	0	112	G107 L122 Y124 V127 R340 I341	G107-C109 PolarHBondContact O-N 2.91Å; C109-L122 WeakPolarHBondContact CA-O 3.44Å; C109-L122 WeakPolarHBondContact CB-O 3.46Å; C109-L122 PolarHBondContact N-O 3.34Å; C109-Y124 HydrophobicContact CB-CD1 4.25Å; C109-Y124 HydrophobicContact CB-CD2 3.51Å; C109-Y124 HydrophobicContact CB-CE1 4.45Å; C109-Y124 HydrophobicContact CB-CE2 3.71Å; C109-Y124 HydrophobicContact CB-CG 3.78Å; C109-V127 HydrophobicContact CB-CG2 4.31Å; C109-R340 CarbonylContact O-C 3.59Å; C109-R340 WeakPolarHBondContact O-CA 3.38Å; C109-R340 WeakPolarHBondContact O-CB 3.37Å; C109-I341 PolarHBondContact O-N 3.48Å
110	L	98.8	Very high	96.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.8	-174.8	-56.5	-176.3	0	0	0	109.4	W121 L122 V127 P159 T162 I163 I341 Y343	L110-W121 WeakPolarHBondContact O-CA 3.18Å; L110-L122 PolarHBondContact N-O 3.19Å; L110-L122 PolarHBondContact O-N 3.4Å; L110-V127 HydrophobicContact CB-CG2 4.39Å; L110-V127 HydrophobicContact CD1-CG1 4.11Å; L110-V127 HydrophobicContact CD1-CG2 3.74Å; L110-V127 HydrophobicContact CG-CG2 3.87Å; L110-P159 HydrophobicContact CB-CB 4.06Å; L110-P159 HydrophobicContact CB-CG 4.49Å; L110-P159 HydrophobicContact CD1-CB 4.26Å; L110-T162 HydrophobicContact CD1-CG2 4.05Å; L110-T162 HydrophobicContact CD2-CG2 4.19Å; L110-I163 HydrophobicContact CD1-CG1 3.94Å; L110-I341 CarbonylContact C-O 3.58Å; L110-I341 WeakPolarHBondContact CA-O 3.41Å; L110-I341 HydrophobicContact CD2-CB 4.14Å; L110-I341 HydrophobicContact CD2-CD1 4.13Å; L110-Y343 HydrophobicContact CB-CE2 4.14Å; L110-Y343 HydrophobicContact CD2-CE2 4.07Å
111	G	98.3	Very high	96.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.3	-178.4	0	0	0	0	0	113.7	E120 W121 I341 G342 Y343	G111-E120 CarbonylContact C-O 3.36Å; G111-E120 WeakPolarHBondContact CA-O 3.31Å; G111-W121 VanDerWaalsContact CA-CE3 3.49Å; G111-I341 PolarHBondContact N-O 3.33Å; G111-G342 CarbonylContact O-C 3.57Å; G111-G342 WeakPolarHBondContact O-CA 3.24Å; G111-Y343 WeakPolarHBondContact O-CD2 3.32Å; G111-Y343 PolarHBondContact O-N 3.47Å
112	S	97.3	Very high	96.5	Very high	48 Å²	48	66.3 Å²	66.3	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.1	174.8	52.6	0	0	0	0	110.6	E120	S112-E120 PolarHBondContact N-O 2.95Å; S112-E120 PolarHBondContact O-N 3.38Å
113	R	94.9	Very high	96.5	Very high	25 Å²	25	60.7 Å²	60.7	9%	0.094	33%	0.327	C	S	.	.			trans	-138.9	152.6	175.5	66.8	-179.4	-77.1	-131.1	5.2	111.5	Q117 P118 Y119 Q345 D353 D354 T357	R113-Q117 PolarHBondContact NE-O 2.85Å; R113-P118 WeakPolarHBondContact CB-O 3.3Å; R113-Y119 HydrophobicContact CB-CD1 4.35Å; R113-Y119 HydrophobicContact CB-CD2 4.31Å; R113-Y119 HydrophobicContact CB-CE1 4.48Å; R113-Y119 HydrophobicContact CB-CE2 4.44Å; R113-Y119 HydrophobicContact CB-CG 4.26Å; R113-Y119 HydrophobicContact CG-CD2 4.28Å; R113-Y119 HydrophobicContact CG-CE1 4.18Å; R113-Y119 HydrophobicContact CG-CE2 3.92Å; R113-Q345 HydrophobicContact CG-CG 3.9Å; R113-D353 IonicContact CZ-OD2 3.33Å; R113-D353 VanDerWaalsContact CZ-OD2 3.27Å; R113-D353 IonicContact NH1-OD2 2.74Å; R113-D353 PolarHBondContact NH1-OD2 3.41Å; R113-D353 IonicContact NH2-OD2 3.49Å; R113-D353 PolarHBondContact NH2-OD2 3.47Å; R113-D354 WeakPolarHBondContact CD-OD1 3.46Å; R113-D354 IonicContact CZ-OD1 3.2Å; R113-D354 IonicContact NE-OD1 3.54Å; R113-D354 IonicContact NH1-OD1 3.87Å; R113-D354 PolarHBondContact NH1-OD1 3.19Å; R113-T357 PolarHBondContact NH1-OG1 3.19Å; R113-T357 PolarHBondContact NH2-OG1 3.04Å
114	K	91.1	Very high	96.6	Very high	140 Å²	140	58 Å²	58	61%	0.609	31%	0.311	S	S	*	.			trans	-88.9	163.4	163.3	-70.7	177.5	-178.7	172.6	0	110.1	N116 Q117	K114-N116 PolarHBondContact O-N 3.36Å; K114-Q117 HydrophobicContact CB-CB 4.32Å; K114-Q117 HydrophobicContact CB-CG 4.27Å; K114-Q117 PolarHBondContact O-N 2.89Å
115	P	88.9	Confident	96.6	Very high	82 Å²	82	60.8 Å²	60.8	53%	0.532	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	132.9	175.3	-22.4	28	0	0	0	112.3	Q117	P115-Q117 PolarHBondContact O-N 2.9Å; P115-Q117 VanDerWaalsContact O-N 3.15Å
116	N	89	Confident	96.7	Very high	145 Å²	145	58.1 Å²	58.1	78%	0.775	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	16.8	179.9	-53.4	-45.6	0	0	0	115.5	K114	K114-N116 PolarHBondContact O-N 3.36Å
117	Q	94.4	Very high	96.7	Very high	86 Å²	86	54.9 Å²	54.9	40%	0.402	29%	0.288	S	S	.	.	S	Bend	trans	-112.2	156.1	175.8	-65.7	-175.2	10.6	0	0	111.2	R113 K114 P115	R113-Q117 PolarHBondContact NE-O 2.85Å; K114-Q117 HydrophobicContact CB-CB 4.32Å; K114-Q117 HydrophobicContact CB-CG 4.27Å; K114-Q117 PolarHBondContact O-N 2.89Å; P115-Q117 PolarHBondContact O-N 2.9Å; P115-Q117 VanDerWaalsContact O-N 3.15Å
118	P	95.8	Very high	96.7	Very high	97 Å²	97	54.4 Å²	54.4	63%	0.63	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-67.2	167.2	171.5	30.2	-35.6	0	0	0	111.5	R113	R113-P118 WeakPolarHBondContact CB-O 3.3Å
119	Y	97.8	Very high	96.7	Very high	24 Å²	24	54.4 Å²	54.4	9%	0.094	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-71.8	127.2	170.3	-84.5	-93.1	0	0	0	111	R113 W121 Y343 T357 L358	R113-Y119 HydrophobicContact CB-CD1 4.35Å; R113-Y119 HydrophobicContact CB-CD2 4.31Å; R113-Y119 HydrophobicContact CB-CE1 4.48Å; R113-Y119 HydrophobicContact CB-CE2 4.44Å; R113-Y119 HydrophobicContact CB-CG 4.26Å; R113-Y119 HydrophobicContact CG-CD2 4.28Å; R113-Y119 HydrophobicContact CG-CE1 4.18Å; R113-Y119 HydrophobicContact CG-CE2 3.92Å; Y119-W121 HydrophobicContact CD1-CZ2 4.47Å; Y119-W121 HydrophobicContact CG-CZ2 4.32Å; Y119-W121 PolarHBondContact O-NE1 2.95Å; Y119-Y343 WeakPolarHBondContact CE1-O 3.31Å; Y119-Y343 PolarHBondContact OH-O 3.47Å; Y119-T357 HydrophobicContact CD2-CG2 4.21Å; Y119-T357 HydrophobicContact CE2-CG2 4.41Å; Y119-L358 HydrophobicContact CD1-CD1 4.04Å; Y119-L358 HydrophobicContact CD2-CB 4.14Å; Y119-L358 HydrophobicContact CD2-CD1 3.71Å; Y119-L358 HydrophobicContact CE1-CD1 4.03Å; Y119-L358 HydrophobicContact CE2-CB 3.5Å; Y119-L358 HydrophobicContact CE2-CD1 3.69Å; Y119-L358 HydrophobicContact CE2-CG 4.07Å; Y119-L358 HydrophobicContact CG-CD1 3.9Å
120	E	98.1	Very high	96.7	Very high	134 Å²	134	56.8 Å²	56.8	63%	0.626	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.6	166.9	-65.7	178.4	176	0	0	108.6	G111 S112	G111-E120 CarbonylContact C-O 3.36Å; G111-E120 WeakPolarHBondContact CA-O 3.31Å; S112-E120 PolarHBondContact N-O 2.95Å; S112-E120 PolarHBondContact O-N 3.38Å
121	W	98.5	Very high	96.7	Very high	73 Å²	73	56.7 Å²	56.7	28%	0.277	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.4	-169.7	-63.3	89.3	0	0	0	111.8	P108 L110 G111 Y119 I315 R340 I341 L358	P108-W121 HydrophobicContact CB-CB 4Å; P108-W121 HydrophobicContact CB-CD2 4.18Å; P108-W121 HydrophobicContact CB-CE3 4.17Å; P108-W121 HydrophobicContact CB-CG 4.12Å; L110-W121 WeakPolarHBondContact O-CA 3.18Å; G111-W121 VanDerWaalsContact CA-CE3 3.49Å; Y119-W121 HydrophobicContact CD1-CZ2 4.47Å; Y119-W121 HydrophobicContact CG-CZ2 4.32Å; Y119-W121 PolarHBondContact O-NE1 2.95Å; W121-I315 HydrophobicContact CH2-CG2 4.11Å; W121-R340 HydrophobicContact CE3-CB 4.18Å; W121-R340 HydrophobicContact CE3-CG 4.43Å; W121-R340 HydrophobicContact CH2-CB 4.24Å; W121-R340 HydrophobicContact CH2-CG 3.81Å; W121-R340 HydrophobicContact CZ3-CB 3.62Å; W121-R340 HydrophobicContact CZ3-CG 3.71Å; W121-I341 WeakPolarHBondContact CZ3-O 3.23Å; W121-L358 HydrophobicContact CH2-CD1 3.83Å; W121-L358 HydrophobicContact CZ2-CD1 3.76Å
122	L	98.8	Very high	96.8	Very high	38 Å²	38	59 Å²	59	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.7	161.7	-59.8	173.4	0	0	0	109.1	C109 L110 V127 P159 I163	C109-L122 WeakPolarHBondContact CA-O 3.44Å; C109-L122 WeakPolarHBondContact CB-O 3.46Å; C109-L122 PolarHBondContact N-O 3.34Å; L110-L122 PolarHBondContact N-O 3.19Å; L110-L122 PolarHBondContact O-N 3.4Å; L122-V127 HydrophobicContact CB-CG2 3.94Å; L122-V127 HydrophobicContact CD1-CG2 4.29Å; L122-P159 HydrophobicContact CD1-CB 4.25Å; L122-I163 HydrophobicContact CD1-CD1 3.87Å
123	S	98.8	Very high	96.8	Very high	21 Å²	21	58.5 Å²	58.5	15%	0.147	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	162.6	167.8	65.8	0	0	0	0	111.7	N106 G107 Q125 E126 V127	N106-S123 WeakPolarHBondContact OD1-CB 3.19Å; G107-S123 WeakPolarHBondContact O-CA 3.34Å; S123-Q125 VanDerWaalsContact C-N 3.26Å; S123-Q125 PolarHBondContact O-N 3.45Å; S123-E126 VanDerWaalsContact CB-OE2 3.3Å; S123-E126 WeakPolarHBondContact CB-OE2 3.2Å; S123-E126 PolarHBondContact N-OE2 3.39Å; S123-E126 PolarHBondContact O-N 3.28Å; S123-E126 VanDerWaalsContact OG-CG 3.31Å; S123-E126 WeakPolarHBondContact OG-CG 3.17Å; S123-E126 PolarHBondContact OG-N 3.42Å; S123-E126 PolarHBondContact OG-OE2 3.01Å; S123-V127 WeakPolarHBondContact O-CG2 3.47Å; S123-V127 PolarHBondContact O-N 2.66Å
124	Y	98.8	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-38.9	175.5	-87.9	-95.6	0	0	0	112.2	F97 L101 S104 N106 G107 C109 V127 V128 L335 G338 A339	F97-Y124 HydrophobicContact CD1-CD1 4.25Å; F97-Y124 AromaticContact CE1-CD1 3.6Å; F97-Y124 HydrophobicContact CE1-CD1 3.6Å; F97-Y124 HydrophobicContact CE1-CE1 4.3Å; F97-Y124 HydrophobicContact CE2-CD1 4.38Å; F97-Y124 HydrophobicContact CE2-CE1 4.38Å; F97-Y124 AromaticContact CZ-CD1 3.66Å; F97-Y124 HydrophobicContact CZ-CD1 3.66Å; F97-Y124 HydrophobicContact CZ-CE1 4.1Å; L101-Y124 HydrophobicContact CB-CD1 4.07Å; L101-Y124 HydrophobicContact CB-CG 4.29Å; L101-Y124 VanDerWaalsContact CD1-CB 3.47Å; S104-Y124 WeakPolarHBondContact OG-CD2 3.36Å; N106-Y124 PolarHBondContact OD1-N 3.1Å; G107-Y124 WeakPolarHBondContact O-CD2 3.4Å; G107-Y124 PolarHBondContact O-N 3.04Å; G107-Y124 VanDerWaalsContact O-N 3.11Å; C109-Y124 HydrophobicContact CB-CD1 4.25Å; C109-Y124 HydrophobicContact CB-CD2 3.51Å; C109-Y124 HydrophobicContact CB-CE1 4.45Å; C109-Y124 HydrophobicContact CB-CE2 3.71Å; C109-Y124 HydrophobicContact CB-CG 3.78Å; Y124-V127 PolarHBondContact O-N 2.95Å; Y124-V128 WeakPolarHBondContact O-CG2 3.43Å; Y124-V128 PolarHBondContact O-N 3.18Å; Y124-L335 HydrophobicContact CE1-CD2 4.1Å; Y124-G338 VanDerWaalsContact OH-C 3.25Å; Y124-G338 WeakPolarHBondContact OH-CA 3.46Å; Y124-A339 PolarHBondContact OH-N 3.5Å; Y124-A339 PolarHBondContact OH-O 3.2Å
125	Q	98.7	Very high	97.4	Very high	71 Å²	71	50.7 Å²	50.7	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-44.8	-179.5	-171.8	62.2	53.3	0	0	111.3	L101 N106 S123 V127 V128 D129	L101-Q125 HydrophobicContact CD1-CB 4.4Å; N106-Q125 WeakPolarHBondContact OD1-CB 3.44Å; N106-Q125 PolarHBondContact OD1-N 3.27Å; S123-Q125 VanDerWaalsContact C-N 3.26Å; S123-Q125 PolarHBondContact O-N 3.45Å; Q125-V127 PolarHBondContact O-N 3.1Å; Q125-V128 PolarHBondContact O-N 2.69Å; Q125-D129 PolarHBondContact NE2-OD1 3.23Å; Q125-D129 PolarHBondContact O-N 3.48Å
126	E	98.8	Very high	97.8	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-58.3	-36.3	175.3	-73.2	165.3	121.8	0	0	111.8	S123 R130	S123-E126 VanDerWaalsContact CB-OE2 3.3Å; S123-E126 WeakPolarHBondContact CB-OE2 3.2Å; S123-E126 PolarHBondContact N-OE2 3.39Å; S123-E126 PolarHBondContact O-N 3.28Å; S123-E126 VanDerWaalsContact OG-CG 3.31Å; S123-E126 WeakPolarHBondContact OG-CG 3.17Å; S123-E126 PolarHBondContact OG-N 3.42Å; S123-E126 PolarHBondContact OG-OE2 3.01Å; E126-R130 WeakPolarHBondContact O-CB 3.45Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.4Å; E126-R130 PolarHBondContact O-N 3.19Å
127	V	98.8	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-41.6	175.3	172.3	0	0	0	0	111.6	F97 C109 L110 L122 S123 Y124 Q125 A131 I163 L166	F97-V127 HydrophobicContact CE1-CB 4.35Å; F97-V127 HydrophobicContact CE1-CG1 3.99Å; F97-V127 HydrophobicContact CE2-CG1 3.78Å; F97-V127 HydrophobicContact CZ-CB 3.77Å; F97-V127 HydrophobicContact CZ-CG1 3.23Å; C109-V127 HydrophobicContact CB-CG2 4.31Å; L110-V127 HydrophobicContact CB-CG2 4.39Å; L110-V127 HydrophobicContact CD1-CG1 4.11Å; L110-V127 HydrophobicContact CD1-CG2 3.74Å; L110-V127 HydrophobicContact CG-CG2 3.87Å; L122-V127 HydrophobicContact CB-CG2 3.94Å; L122-V127 HydrophobicContact CD1-CG2 4.29Å; S123-V127 WeakPolarHBondContact O-CG2 3.47Å; S123-V127 PolarHBondContact O-N 2.66Å; Y124-V127 PolarHBondContact O-N 2.95Å; Q125-V127 PolarHBondContact O-N 3.1Å; V127-A131 VanDerWaalsContact O-CB 3.25Å; V127-A131 WeakPolarHBondContact O-CB 3.33Å; V127-A131 PolarHBondContact O-N 2.78Å; V127-I163 HydrophobicContact CG1-CG1 4.04Å; V127-I163 HydrophobicContact CG2-CG1 4.46Å; V127-L166 HydrophobicContact CG1-CD2 3.82Å
128	V	98.7	Very high	98.5	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-47.4	174.9	171.3	0	0	0	0	111	F97 M98 L101 Y124 Q125 R130 A131 Q132	F97-V128 HydrophobicContact CD1-CG2 3.89Å; F97-V128 HydrophobicContact CE1-CG2 3.65Å; M98-V128 HydrophobicContact SD-CG2 4.24Å; L101-V128 HydrophobicContact CD2-CG2 4.19Å; Y124-V128 WeakPolarHBondContact O-CG2 3.43Å; Y124-V128 PolarHBondContact O-N 3.18Å; Q125-V128 PolarHBondContact O-N 2.69Å; V128-R130 PolarHBondContact O-N 3.19Å; V128-A131 PolarHBondContact O-N 2.96Å; V128-Q132 HydrophobicContact CG1-CG 4.36Å; V128-Q132 WeakPolarHBondContact O-CG 3.42Å; V128-Q132 PolarHBondContact O-N 3.2Å
129	D	98.7	Very high	98.6	Very high	61 Å²	61	32.9 Å²	32.9	33%	0.326	15%	0.154	S	C	.	.	H	α-helix	trans	-61.3	-48.6	-177.4	-62.4	-19	0	0	0	110.2	Q125 A131 Q132 H133	Q125-D129 PolarHBondContact NE2-OD1 3.23Å; Q125-D129 PolarHBondContact O-N 3.48Å; D129-A131 PolarHBondContact O-N 3.36Å; D129-Q132 WeakPolarHBondContact O-CB 3.35Å; D129-Q132 PolarHBondContact O-N 2.85Å; D129-Q132 VanDerWaalsContact O-N 3.16Å; D129-H133 PolarHBondContact O-CD2 3.17Å; D129-H133 VanDerWaalsContact O-CD2 3.23Å; D129-H133 VanDerWaalsContact O-CG 3.24Å; D129-H133 PolarHBondContact O-N 2.89Å
130	R	98.8	Very high	98.5	Very high	49 Å²	49	36.7 Å²	36.7	19%	0.185	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-40.3	175.8	-68.7	-177.9	67.7	-169.8	-1	112.6	E126 V128 Q132 H133 I134 I163 E252	E126-R130 WeakPolarHBondContact O-CB 3.45Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.4Å; E126-R130 PolarHBondContact O-N 3.19Å; V128-R130 PolarHBondContact O-N 3.19Å; R130-Q132 VanDerWaalsContact C-N 3.32Å; R130-Q132 PolarHBondContact O-N 2.75Å; R130-H133 PolarHBondContact O-N 3.39Å; R130-I134 WeakPolarHBondContact O-CG1 3.46Å; R130-I134 PolarHBondContact O-N 3.24Å; R130-I163 HydrophobicContact CB-CG2 3.6Å; R130-I163 VanDerWaalsContact NH1-CD1 3.31Å; R130-E252 IonicContact CZ-OE1 2.66Å; R130-E252 VanDerWaalsContact CZ-OE1 3.28Å; R130-E252 IonicContact NE-OE1 3.04Å; R130-E252 PolarHBondContact NE-OE1 2.83Å; R130-E252 IonicContact NE-OE2 3.65Å; R130-E252 IonicContact NH2-OE1 3.88Å; R130-E252 PolarHBondContact NH2-OE1 2.79Å; R130-E252 IonicContact NH2-OE2 3.26Å
131	A	98.8	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-37.4	175.8	0	0	0	0	0	112	V127 V128 D129 G135 I163 L166 A167	V127-A131 VanDerWaalsContact O-CB 3.25Å; V127-A131 WeakPolarHBondContact O-CB 3.33Å; V127-A131 PolarHBondContact O-N 2.78Å; V128-A131 PolarHBondContact O-N 2.96Å; D129-A131 PolarHBondContact O-N 3.36Å; A131-G135 PolarHBondContact O-N 2.85Å; A131-I163 HydrophobicContact CB-CG2 4.26Å; A131-L166 HydrophobicContact CB-CB 3.98Å; A131-L166 HydrophobicContact CB-CD2 3.81Å; A131-L166 HydrophobicContact CB-CG 3.77Å; A131-A167 HydrophobicContact CB-CB 4.27Å; A131-A167 WeakPolarHBondContact O-CA 3.46Å; A131-A167 WeakPolarHBondContact O-CB 3.38Å
132	Q	98.8	Very high	98.1	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.22	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-38.2	174.3	-74.5	-177.9	18.8	0	0	112.1	V128 D129 R130 S136 T170 Y171 P262	V128-Q132 HydrophobicContact CG1-CG 4.36Å; V128-Q132 WeakPolarHBondContact O-CG 3.42Å; V128-Q132 PolarHBondContact O-N 3.2Å; D129-Q132 WeakPolarHBondContact O-CB 3.35Å; D129-Q132 PolarHBondContact O-N 2.85Å; D129-Q132 VanDerWaalsContact O-N 3.16Å; R130-Q132 VanDerWaalsContact C-N 3.32Å; R130-Q132 PolarHBondContact O-N 2.75Å; Q132-S136 VanDerWaalsContact O-CB 3.25Å; Q132-S136 WeakPolarHBondContact O-CB 3.3Å; Q132-S136 PolarHBondContact O-N 3.37Å; Q132-S136 PolarHBondContact O-OG 3.17Å; Q132-T170 HydrophobicContact CG-CG2 4.12Å; Q132-Y171 PolarHBondContact O-OH 2.89Å; Q132-P262 HydrophobicContact CG-CG 4.35Å
133	H	98.8	Very high	98	Very high	39 Å²	39	30.1 Å²	30.1	18%	0.181	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-57.3	174.3	-63.7	175.3	0	0	0	110.6	D129 R130 G135 S136 A137 E252 G255	D129-H133 PolarHBondContact O-CD2 3.17Å; D129-H133 VanDerWaalsContact O-CD2 3.23Å; D129-H133 VanDerWaalsContact O-CG 3.24Å; D129-H133 PolarHBondContact O-N 2.89Å; R130-H133 PolarHBondContact O-N 3.39Å; H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 2.76Å; H133-S136 PolarHBondContact O-N 3.25Å; H133-A137 PolarHBondContact O-N 2.75Å; H133-E252 HydrophobicContact CB-CB 4.17Å; H133-E252 HydrophobicContact CB-CG 4.3Å; H133-G255 WeakPolarHBondContact O-CA 3.42Å
134	I	98.8	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.5	-45.1	178.6	-65	173.5	0	0	0	110.9	R130 A137 L138 I163 A167 I200 L248 F251 E252	R130-I134 WeakPolarHBondContact O-CG1 3.46Å; R130-I134 PolarHBondContact O-N 3.24Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.28Å; I134-L138 HydrophobicContact CG2-CD1 4.27Å; I134-L138 WeakPolarHBondContact O-CG 3.36Å; I134-L138 PolarHBondContact O-N 2.76Å; I134-I163 HydrophobicContact CD1-CG2 3.76Å; I134-A167 HydrophobicContact CB-CB 3.73Å; I134-A167 HydrophobicContact CG2-CB 3.62Å; I134-I200 HydrophobicContact CG2-CD1 4.14Å; I134-L248 HydrophobicContact CD1-CD1 3.81Å; I134-L248 HydrophobicContact CG1-CD1 4.15Å; I134-F251 HydrophobicContact CG2-CD1 4.19Å; I134-F251 HydrophobicContact CG2-CE1 3.97Å; I134-F251 WeakPolarHBondContact O-CE1 3.41Å; I134-E252 HydrophobicContact CD1-CG 4.41Å; I134-E252 HydrophobicContact CG1-CG 3.71Å
135	G	98.4	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-37.4	-178.7	0	0	0	0	0	113.4	A131 H133 A137 L138 L139 Y171	A131-G135 PolarHBondContact O-N 2.85Å; H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 2.76Å; G135-A137 VanDerWaalsContact C-N 3.3Å; G135-A137 PolarHBondContact O-N 2.79Å; G135-L138 WeakPolarHBondContact O-CB 3.31Å; G135-L138 PolarHBondContact O-N 2.99Å; G135-L139 WeakPolarHBondContact O-CG 3.25Å; G135-L139 PolarHBondContact O-N 3.44Å; G135-Y171 VanDerWaalsContact C-CE2 3.41Å; G135-Y171 VanDerWaalsContact CA-CD2 3.44Å
136	S	98.6	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-38.2	172.9	-61.7	0	0	0	0	111.5	Q132 H133 L139 H140 Y171 G255 Q260	Q132-S136 VanDerWaalsContact O-CB 3.25Å; Q132-S136 WeakPolarHBondContact O-CB 3.3Å; Q132-S136 PolarHBondContact O-N 3.37Å; Q132-S136 PolarHBondContact O-OG 3.17Å; H133-S136 PolarHBondContact O-N 3.25Å; S136-L139 PolarHBondContact O-N 3.46Å; S136-H140 WeakPolarHBondContact O-CB 3.32Å; S136-H140 PolarHBondContact O-N 3.25Å; S136-Y171 PolarHBondContact OG-OH 2.98Å; S136-G255 WeakPolarHBondContact CB-O 3.3Å; S136-Q260 PolarHBondContact OG-N 3.21Å
137	A	98.6	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-42	174.1	0	0	0	0	0	111.7	H133 I134 G135 L139 H140 R141 F251 I254	H133-A137 PolarHBondContact O-N 2.75Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.28Å; G135-A137 VanDerWaalsContact C-N 3.3Å; G135-A137 PolarHBondContact O-N 2.79Å; A137-L139 VanDerWaalsContact C-N 3.35Å; A137-L139 PolarHBondContact O-N 2.94Å; A137-H140 PolarHBondContact O-N 3.06Å; A137-R141 WeakPolarHBondContact O-CB 3.48Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.37Å; A137-F251 HydrophobicContact CB-CD1 3.75Å; A137-F251 HydrophobicContact CB-CD2 4.1Å; A137-F251 HydrophobicContact CB-CE1 3.51Å; A137-F251 HydrophobicContact CB-CE2 3.89Å; A137-F251 HydrophobicContact CB-CG 4.05Å; A137-F251 HydrophobicContact CB-CZ 3.58Å; A137-F251 WeakPolarHBondContact CB-O 3.4Å; A137-I254 HydrophobicContact CB-CB 4.38Å; A137-I254 HydrophobicContact CB-CG2 4.19Å
138	L	98.4	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-47	172.9	-71.1	165.5	0	0	0	111.1	I134 G135 H140 R141 G142 H143 V151 L173 T198 F251	I134-L138 HydrophobicContact CG2-CD1 4.27Å; I134-L138 WeakPolarHBondContact O-CG 3.36Å; I134-L138 PolarHBondContact O-N 2.76Å; G135-L138 WeakPolarHBondContact O-CB 3.31Å; G135-L138 PolarHBondContact O-N 2.99Å; L138-H140 PolarHBondContact O-N 3.17Å; L138-R141 CarbonylContact O-C 3.57Å; L138-R141 PolarHBondContact O-N 3.46Å; L138-G142 PolarHBondContact O-N 2.88Å; L138-H143 HydrophobicContact CB-CB 4.17Å; L138-H143 VanDerWaalsContact O-CB 3.31Å; L138-H143 WeakPolarHBondContact O-CB 3.32Å; L138-H143 PolarHBondContact O-CD2 2.83Å; L138-H143 VanDerWaalsContact O-CD2 3.26Å; L138-H143 PolarHBondContact O-N 3.43Å; L138-V151 HydrophobicContact CD1-CG1 4.43Å; L138-V151 HydrophobicContact CD1-CG2 4.12Å; L138-V151 HydrophobicContact CD2-CG1 4.16Å; L138-V151 HydrophobicContact CD2-CG2 4.02Å; L138-L173 HydrophobicContact CB-CD1 3.89Å; L138-L173 HydrophobicContact CD1-CD1 3.86Å; L138-L173 HydrophobicContact CG-CD1 4.46Å; L138-T198 HydrophobicContact CD2-CG2 3.95Å; L138-F251 HydrophobicContact CD2-CE1 4.21Å; L138-F251 HydrophobicContact CD2-CZ 3.87Å; L138-F251 HydrophobicContact CG-CE1 3.97Å; L138-F251 HydrophobicContact CG-CZ 3.95Å
139	L	97.6	Very high	95.3	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.188	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-44.2	176.8	-65.2	-172.2	0	0	0	112.3	G135 S136 A137 R141 G142 H143 Y171 Q260	G135-L139 WeakPolarHBondContact O-CG 3.25Å; G135-L139 PolarHBondContact O-N 3.44Å; S136-L139 PolarHBondContact O-N 3.46Å; A137-L139 VanDerWaalsContact C-N 3.35Å; A137-L139 PolarHBondContact O-N 2.94Å; L139-R141 PolarHBondContact O-N 3.31Å; L139-G142 PolarHBondContact O-N 3.38Å; L139-H143 WeakPolarHBondContact CD2-O 3.48Å; L139-Y171 HydrophobicContact CD1-CD1 3.39Å; L139-Y171 HydrophobicContact CD1-CE1 3.82Å; L139-Y171 HydrophobicContact CD1-CG 3.91Å; L139-Y171 HydrophobicContact CG-CD1 4.22Å; L139-Y171 HydrophobicContact CG-CG 4.25Å; L139-Q260 HydrophobicContact CB-CG 4.17Å; L139-Q260 HydrophobicContact CD1-CB 3.68Å; L139-Q260 HydrophobicContact CD1-CG 3.78Å
140	H	96.6	Very high	95.3	Very high	104 Å²	104	40.8 Å²	40.8	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-32.8	176.4	-176.4	79	0	0	0	112.3	S136 A137 L138 G142 N258	S136-H140 WeakPolarHBondContact O-CB 3.32Å; S136-H140 PolarHBondContact O-N 3.25Å; A137-H140 PolarHBondContact O-N 3.06Å; L138-H140 PolarHBondContact O-N 3.17Å; H140-G142 PolarHBondContact O-N 2.73Å; H140-N258 HydrophobicContact CB-CB 4.22Å; H140-N258 PolarHBondContact CE1-OD1 2.93Å; H140-N258 PolarHBondContact ND1-OD1 3.23Å
141	R	93.8	Very high	95.3	Very high	81 Å²	81	38.5 Å²	38.5	31%	0.306	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.7	175.6	-65.5	-67.3	-172.5	152.9	-0.5	113.9	A137 L138 L139 E244 L246 F251	A137-R141 WeakPolarHBondContact O-CB 3.48Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.37Å; L138-R141 CarbonylContact O-C 3.57Å; L138-R141 PolarHBondContact O-N 3.46Å; L139-R141 PolarHBondContact O-N 3.31Å; R141-E244 IonicContact CZ-OE1 2.66Å; R141-E244 IonicContact CZ-OE2 3.02Å; R141-E244 IonicContact NH1-OE1 2.69Å; R141-E244 IonicContact NH1-OE2 3.41Å; R141-E244 PolarHBondContact NH1-OE2 3.09Å; R141-E244 IonicContact NH2-OE1 3.27Å; R141-E244 PolarHBondContact NH2-OE1 3.16Å; R141-E244 IonicContact NH2-OE2 2.73Å; R141-E244 PolarHBondContact NH2-OE2 3.15Å; R141-L246 VanDerWaalsContact NH2-CD1 3.32Å; R141-F251 HydrophobicContact CG-CE2 4.1Å
142	G	93.8	Very high	95.2	Very high	25 Å²	25	38.5 Å²	38.5	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	20.1	173.3	0	0	0	0	0	114.8	L138 L139 H140 F144	L138-G142 PolarHBondContact O-N 2.88Å; L139-G142 PolarHBondContact O-N 3.38Å; H140-G142 PolarHBondContact O-N 2.73Å; G142-F144 VanDerWaalsContact C-CZ 3.42Å; G142-F144 VanDerWaalsContact CA-CZ 3.44Å; G142-F144 WeakPolarHBondContact O-CD2 3.49Å; G142-F144 WeakPolarHBondContact O-CE2 3.25Å; G142-F144 WeakPolarHBondContact O-CZ 3.15Å
143	H	96.4	Very high	95.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-82	138.5	168.9	-69.7	-79.6	0	0	0	111.2	L138 L139 D148 L173 S197 T198	L138-H143 HydrophobicContact CB-CB 4.17Å; L138-H143 VanDerWaalsContact O-CB 3.31Å; L138-H143 WeakPolarHBondContact O-CB 3.32Å; L138-H143 PolarHBondContact O-CD2 2.83Å; L138-H143 VanDerWaalsContact O-CD2 3.26Å; L138-H143 PolarHBondContact O-N 3.43Å; L139-H143 WeakPolarHBondContact CD2-O 3.48Å; H143-D148 WeakPolarHBondContact CA-O 3.29Å; H143-D148 VanDerWaalsContact CB-O 3.3Å; H143-D148 WeakPolarHBondContact CB-O 3.44Å; H143-D148 IonicContact CE1-OD1 3.78Å; H143-D148 IonicContact CE1-OD2 3.98Å; H143-D148 PolarHBondContact ND1-O 3.28Å; H143-D148 IonicContact ND1-OD1 3.65Å; H143-D148 IonicContact ND1-OD2 3.84Å; H143-L173 HydrophobicContact CB-CD1 4.04Å; H143-L173 HydrophobicContact CB-CD2 4.08Å; H143-S197 PolarHBondContact CE1-OG 3.37Å; H143-T198 VanDerWaalsContact NE2-CB 3.3Å; H143-T198 WeakPolarHBondContact NE2-CB 3.32Å; H143-T198 PolarHBondContact NE2-OG1 2.85Å
144	F	92.3	Very high	95.1	Very high	106 Å²	106	34.5 Å²	34.5	47%	0.465	18%	0.184	S	C	.	.			trans	-153.1	151.7	177.2	-22.1	-84.5	0	0	0	110.7	G142 T146 G147 D148 K149	G142-F144 VanDerWaalsContact C-CZ 3.42Å; G142-F144 VanDerWaalsContact CA-CZ 3.44Å; G142-F144 WeakPolarHBondContact O-CD2 3.49Å; G142-F144 WeakPolarHBondContact O-CE2 3.25Å; G142-F144 WeakPolarHBondContact O-CZ 3.15Å; F144-T146 PolarHBondContact O-N 3.23Å; F144-T146 VanDerWaalsContact O-N 3.12Å; F144-G147 CarbonylContact O-C 3.54Å; F144-G147 PolarHBondContact O-N 3.16Å; F144-D148 PolarHBondContact N-O 3.48Å; F144-K149 WeakPolarHBondContact O-CB 3.44Å
145	H	86.9	Confident	94.9	Very high	66 Å²	66	34.7 Å²	34.7	31%	0.306	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33	178.9	179.5	74.2	0	0	0	114.4	K149 S172 D269	H145-K149 WeakPolarHBondContact O-CD 3.37Å; H145-S172 PolarHBondContact ND1-O 3.18Å; H145-D269 IonicContact CE1-OD1 3.66Å
146	T	84.5	Confident	94.5	Very high	134 Å²	134	38 Å²	38	82%	0.822	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1	-179.4	53.8	0	0	0	0	114.1	F144	F144-T146 PolarHBondContact O-N 3.23Å; F144-T146 VanDerWaalsContact O-N 3.12Å
147	G	86.7	Confident	94.3	Very high	42 Å²	42	38.6 Å²	38.6	43%	0.433	20%	0.204	S	C	.	.	S	Bend	trans	-133.4	-122.9	-176.8	0	0	0	0	0	111.8	F144 K149	F144-G147 CarbonylContact O-C 3.54Å; F144-G147 PolarHBondContact O-N 3.16Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.93Å
148	D	91.7	Very high	94.2	Very high	44 Å²	44	41.2 Å²	41.2	24%	0.235	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-71.4	83.5	177.4	-168.5	-6.5	0	0	0	110.8	H143 F144 S197	H143-D148 WeakPolarHBondContact CA-O 3.29Å; H143-D148 VanDerWaalsContact CB-O 3.3Å; H143-D148 WeakPolarHBondContact CB-O 3.44Å; H143-D148 IonicContact CE1-OD1 3.78Å; H143-D148 IonicContact CE1-OD2 3.98Å; H143-D148 PolarHBondContact ND1-O 3.28Å; H143-D148 IonicContact ND1-OD1 3.65Å; H143-D148 IonicContact ND1-OD2 3.84Å; F144-D148 PolarHBondContact N-O 3.48Å; D148-S197 PolarHBondContact OD1-OG 2.87Å; D148-S197 VanDerWaalsContact OD1-OG 3.14Å; D148-S197 WeakPolarHBondContact OD2-CB 3.44Å; D148-S197 PolarHBondContact OD2-OG 3.42Å
149	K	95.4	Very high	94.2	Very high	51 Å²	51	41.4 Å²	41.4	22%	0.222	22%	0.215	C	C	.	.			trans	-103.4	-8.4	-170.9	69.5	-165.7	179.2	-173.3	0	114.8	F144 H145 G147 L173 V174	F144-K149 WeakPolarHBondContact O-CB 3.44Å; H145-K149 WeakPolarHBondContact O-CD 3.37Å; G147-K149 VanDerWaalsContact C-N 3.3Å; G147-K149 PolarHBondContact O-N 2.93Å; K149-L173 HydrophobicContact CB-CD2 4.42Å; K149-V174 HydrophobicContact CD-CG2 4.29Å; K149-V174 HydrophobicContact CG-CG2 4.11Å; K149-V174 PolarHBondContact O-N 3.3Å
150	Y	97.4	Very high	94.3	Very high	32 Å²	32	41.3 Å²	41.3	13%	0.125	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.1	-173	-58.8	-50.9	0	0	0	110.4	V174 V176 A194 I273	Y150-V174 HydrophobicContact CD1-CB 3.71Å; Y150-V174 HydrophobicContact CD1-CG1 3.87Å; Y150-V174 HydrophobicContact CD1-CG2 4.29Å; Y150-V174 HydrophobicContact CE1-CB 4.01Å; Y150-V174 HydrophobicContact CE1-CG1 4.01Å; Y150-V174 HydrophobicContact CE1-CG2 4.15Å; Y150-V176 HydrophobicContact CD1-CG2 4.26Å; Y150-V176 HydrophobicContact CG-CG2 4.39Å; Y150-A194 WeakPolarHBondContact CD2-O 3.23Å; Y150-I273 HydrophobicContact CD1-CD1 3.66Å; Y150-I273 HydrophobicContact CE1-CD1 3.33Å
151	V	98.4	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.1	179.7	-176.6	0	0	0	0	109.1	L138 L173 V174 V176 I200	L138-V151 HydrophobicContact CD1-CG1 4.43Å; L138-V151 HydrophobicContact CD1-CG2 4.12Å; L138-V151 HydrophobicContact CD2-CG1 4.16Å; L138-V151 HydrophobicContact CD2-CG2 4.02Å; V151-L173 HydrophobicContact CG2-CD1 4.3Å; V151-V174 PolarHBondContact N-O 2.85Å; V151-V176 PolarHBondContact O-N 3.42Å; V151-I200 HydrophobicContact CG1-CD1 4.12Å; V151-I200 HydrophobicContact CG1-CG1 4.35Å
152	G	98.1	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.9	176.7	0	0	0	0	0	111.2	V176 T198 V199 I200	G152-V176 WeakPolarHBondContact CA-O 3.2Å; G152-T198 PolarHBondContact N-O 3.33Å; G152-V199 CarbonylContact O-C 3.52Å; G152-V199 WeakPolarHBondContact O-CA 3.37Å; G152-I200 PolarHBondContact O-N 3.35Å
153	I	98.3	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.7	171.4	-50	178.5	0	0	0	108.2	W161 E165 A175 V176 L178 I200	I153-W161 HydrophobicContact CB-CE3 4.49Å; I153-W161 HydrophobicContact CB-CH2 4.1Å; I153-W161 HydrophobicContact CB-CZ2 4.26Å; I153-W161 HydrophobicContact CB-CZ3 4.22Å; I153-W161 HydrophobicContact CG2-CD2 3.56Å; I153-W161 HydrophobicContact CG2-CE3 3.44Å; I153-W161 VanDerWaalsContact CG2-CE3 3.44Å; I153-W161 HydrophobicContact CG2-CG 4.23Å; I153-W161 HydrophobicContact CG2-CH2 3.91Å; I153-W161 HydrophobicContact CG2-CZ2 4.07Å; I153-W161 HydrophobicContact CG2-CZ3 3.58Å; I153-W161 VanDerWaalsContact O-CH2 3.27Å; I153-W161 WeakPolarHBondContact O-CH2 3.47Å; I153-W161 WeakPolarHBondContact O-CZ3 3.3Å; I153-E165 HydrophobicContact CD1-CB 4.06Å; I153-A175 HydrophobicContact CD1-CB 4.13Å; I153-V176 PolarHBondContact N-O 3.35Å; I153-L178 PolarHBondContact O-N 2.95Å; I153-I200 CarbonylContact C-O 3.52Å; I153-I200 WeakPolarHBondContact CA-O 3.35Å
154	F	96.4	Very high	94.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	83.4	-174.8	-168.8	-162.1	0	0	0	112	L178 Y179 I187 V199 I200 C201 D202 K206 M209 I210	F154-L178 HydrophobicContact CB-CB 3.82Å; F154-L178 HydrophobicContact CB-CD1 3.83Å; F154-L178 HydrophobicContact CB-CG 4.36Å; F154-L178 HydrophobicContact CD1-CD1 4.39Å; F154-L178 HydrophobicContact CD2-CB 3.68Å; F154-L178 HydrophobicContact CE2-CB 4.43Å; F154-L178 HydrophobicContact CG-CB 3.83Å; F154-L178 HydrophobicContact CG-CD1 4.13Å; F154-Y179 WeakPolarHBondContact CE2-O 3.42Å; F154-I187 HydrophobicContact CE1-CD1 4.4Å; F154-I187 HydrophobicContact CE1-CG1 4.44Å; F154-I187 HydrophobicContact CE1-CG2 4.46Å; F154-I187 HydrophobicContact CE2-CD1 4.14Å; F154-I187 HydrophobicContact CZ-CD1 4.02Å; F154-I187 HydrophobicContact CZ-CG1 4.17Å; F154-V199 HydrophobicContact CB-CG1 4.04Å; F154-I200 PolarHBondContact N-O 3.13Å; F154-C201 HydrophobicContact CB-CB 4.02Å; F154-C201 WeakPolarHBondContact O-CA 3.28Å; F154-C201 WeakPolarHBondContact O-CB 3.37Å; F154-D202 PolarHBondContact O-N 3.13Å; F154-K206 HydrophobicContact CD1-CB 3.71Å; F154-K206 HydrophobicContact CD1-CD 3.87Å; F154-K206 HydrophobicContact CD1-CG 4.01Å; F154-K206 HydrophobicContact CD2-CD 3.85Å; F154-K206 HydrophobicContact CE1-CB 3.65Å; F154-K206 HydrophobicContact CE1-CD 3.89Å; F154-K206 HydrophobicContact CE1-CG 3.66Å; F154-K206 HydrophobicContact CE2-CD 3.88Å; F154-K206 HydrophobicContact CE2-CG 4.35Å; F154-K206 HydrophobicContact CG-CB 4.46Å; F154-K206 HydrophobicContact CG-CD 3.85Å; F154-K206 HydrophobicContact CG-CG 4.48Å; F154-K206 HydrophobicContact CZ-CB 4.35Å; F154-K206 HydrophobicContact CZ-CD 3.89Å; F154-K206 HydrophobicContact CZ-CG 3.85Å; F154-K206 WeakPolarHBondContact O-CD 3.3Å; F154-M209 HydrophobicContact CE1-SD 4.05Å; F154-M209 HydrophobicContact CZ-SD 4Å; F154-I210 HydrophobicContact CD1-CD1 4.15Å; F154-I210 HydrophobicContact CD1-CG1 4.35Å
155	S	94.3	Very high	95.2	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.028	15%	0.147	C	C	.	.			trans	-155.5	156.3	-170.2	167.8	0	0	0	0	111.7	R158 W161 D202	S155-R158 WeakPolarHBondContact OG-CD 3.25Å; S155-W161 VanDerWaalsContact N-CZ3 3.33Å; S155-W161 WeakPolarHBondContact O-CZ3 3.43Å; S155-D202 WeakPolarHBondContact CA-OD2 3.43Å; S155-D202 WeakPolarHBondContact CB-OD2 3.41Å; S155-D202 WeakPolarHBondContact OG-CB 3.39Å; S155-D202 PolarHBondContact OG-OD2 3.11Å; S155-D202 VanDerWaalsContact OG-OD2 3.07Å
156	Q	91.2	Very high	95.7	Very high	70 Å²	70	24.5 Å²	24.5	33%	0.327	13%	0.134	S	C	.	.			trans	-71.6	168.9	165.3	-69.2	-172.1	-7.3	0	0	111.1	R158 D180 D202	Q156-R158 PolarHBondContact O-N 2.99Å; Q156-R158 VanDerWaalsContact O-N 3.14Å; Q156-D180 HydrophobicContact CG-CB 4.36Å; Q156-D180 WeakPolarHBondContact CG-OD2 3.33Å; Q156-D180 PolarHBondContact NE2-OD2 2.87Å; Q156-D202 PolarHBondContact N-OD2 2.93Å
157	N	94.1	Very high	96.4	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.07	10%	0.095	C	C	.	.	S	Bend	trans	-63.5	119.1	179.2	-63.9	25.2	0	0	0	111.1	S318 L320 P321 L322 Y343 F344	N157-S318 PolarHBondContact ND2-OG 3.39Å; N157-L320 PolarHBondContact ND2-O 2.84Å; N157-P321 WeakPolarHBondContact OD1-CA 3.2Å; N157-L322 HydrophobicContact CB-CD1 3.91Å; N157-L322 HydrophobicContact CB-CG 4.37Å; N157-L322 PolarHBondContact OD1-N 3.39Å; N157-L322 VanDerWaalsContact OD1-N 3.12Å; N157-Y343 HydrophobicContact CB-CD1 3.88Å; N157-Y343 HydrophobicContact CB-CE1 4.3Å; N157-F344 HydrophobicContact CB-CD1 4.29Å; N157-F344 HydrophobicContact CB-CE1 3.96Å
158	R	96.6	Very high	97	Very high	54 Å²	54	16.1 Å²	16.1	20%	0.204	7%	0.074	C	C	.	.	S	Bend	trans	-158.2	165.4	176.8	62.8	-168.1	-63	162.5	7.3	110.9	S155 Q156 E160 W161 M227 E228 Y343	S155-R158 WeakPolarHBondContact OG-CD 3.25Å; Q156-R158 PolarHBondContact O-N 2.99Å; Q156-R158 VanDerWaalsContact O-N 3.14Å; R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 HydrophobicContact CG-CB 4.3Å; R158-E160 WeakPolarHBondContact CG-OE2 3.41Å; R158-E160 IonicContact CZ-OE2 3.69Å; R158-E160 IonicContact NE-OE2 2.79Å; R158-E160 PolarHBondContact NE-OE2 2.63Å; R158-E160 IonicContact NH2-OE2 3.27Å; R158-E160 PolarHBondContact O-N 3.3Å; R158-W161 HydrophobicContact CG-CB 4.35Å; R158-W161 WeakPolarHBondContact O-CB 3.5Å; R158-W161 PolarHBondContact O-N 3.48Å; R158-W161 VanDerWaalsContact O-N 3.15Å; R158-M227 VanDerWaalsContact CD-SD 3.55Å; R158-M227 HydrophobicContact CG-SD 4.2Å; R158-E228 IonicContact CZ-OE1 3.47Å; R158-E228 IonicContact NH1-OE1 2.99Å; R158-E228 PolarHBondContact NH1-OE1 3.21Å; R158-E228 IonicContact NH2-OE1 3.8Å; R158-Y343 VanDerWaalsContact CA-CD1 3.45Å; R158-Y343 VanDerWaalsContact N-CD1 3.31Å; R158-Y343 WeakPolarHBondContact O-CE1 3.49Å
159	P	98.3	Very high	97.3	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-53.6	-43.9	178.5	-27.7	35.9	0	0	0	113.5	L110 L122 W161 T162 I163 Y343	L110-P159 HydrophobicContact CB-CB 4.06Å; L110-P159 HydrophobicContact CB-CG 4.49Å; L110-P159 HydrophobicContact CD1-CB 4.26Å; L122-P159 HydrophobicContact CD1-CB 4.25Å; P159-W161 PolarHBondContact O-N 3.31Å; P159-T162 PolarHBondContact O-N 2.51Å; P159-T162 VanDerWaalsContact O-N 3.09Å; P159-I163 VanDerWaalsContact O-CG1 3.29Å; P159-I163 WeakPolarHBondContact O-CG1 3.43Å; P159-I163 PolarHBondContact O-N 3.22Å; P159-Y343 HydrophobicContact CB-CD2 4.48Å; P159-Y343 HydrophobicContact CB-CE2 4.31Å; P159-Y343 HydrophobicContact CG-CD2 3.69Å; P159-Y343 HydrophobicContact CG-CE2 4Å; P159-Y343 HydrophobicContact CG-CG 4.49Å
160	E	98.4	Very high	97.4	Very high	35 Å²	35	11.9 Å²	11.9	16%	0.164	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-28.9	-178	-63.9	78.5	-169.9	0	0	113.3	R158 S164 M227 L248	R158-E160 VanDerWaalsContact C-N 3.29Å; R158-E160 HydrophobicContact CG-CB 4.3Å; R158-E160 WeakPolarHBondContact CG-OE2 3.41Å; R158-E160 IonicContact CZ-OE2 3.69Å; R158-E160 IonicContact NE-OE2 2.79Å; R158-E160 PolarHBondContact NE-OE2 2.63Å; R158-E160 IonicContact NH2-OE2 3.27Å; R158-E160 PolarHBondContact O-N 3.3Å; E160-S164 VanDerWaalsContact O-CB 3.32Å; E160-S164 WeakPolarHBondContact O-CB 3.36Å; E160-S164 PolarHBondContact O-N 3.14Å; E160-S164 PolarHBondContact O-OG 2.85Å; E160-M227 HydrophobicContact CB-CE 3.92Å; E160-M227 HydrophobicContact CB-CG 4.22Å; E160-M227 HydrophobicContact CB-SD 3.51Å; E160-M227 VanDerWaalsContact CB-SD 3.51Å; E160-M227 HydrophobicContact CG-SD 4.33Å; E160-L248 HydrophobicContact CB-CD2 3.91Å; E160-L248 HydrophobicContact CG-CD2 3.57Å
161	W	97.7	Very high	97.4	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-52.8	174	177.3	-69.2	0	0	0	110.4	I153 S155 R158 P159 I163 S164 E165 P177 L322 A323	I153-W161 HydrophobicContact CB-CE3 4.49Å; I153-W161 HydrophobicContact CB-CH2 4.1Å; I153-W161 HydrophobicContact CB-CZ2 4.26Å; I153-W161 HydrophobicContact CB-CZ3 4.22Å; I153-W161 HydrophobicContact CG2-CD2 3.56Å; I153-W161 HydrophobicContact CG2-CE3 3.44Å; I153-W161 VanDerWaalsContact CG2-CE3 3.44Å; I153-W161 HydrophobicContact CG2-CG 4.23Å; I153-W161 HydrophobicContact CG2-CH2 3.91Å; I153-W161 HydrophobicContact CG2-CZ2 4.07Å; I153-W161 HydrophobicContact CG2-CZ3 3.58Å; I153-W161 VanDerWaalsContact O-CH2 3.27Å; I153-W161 WeakPolarHBondContact O-CH2 3.47Å; I153-W161 WeakPolarHBondContact O-CZ3 3.3Å; S155-W161 VanDerWaalsContact N-CZ3 3.33Å; S155-W161 WeakPolarHBondContact O-CZ3 3.43Å; R158-W161 HydrophobicContact CG-CB 4.35Å; R158-W161 WeakPolarHBondContact O-CB 3.5Å; R158-W161 PolarHBondContact O-N 3.48Å; R158-W161 VanDerWaalsContact O-N 3.15Å; P159-W161 PolarHBondContact O-N 3.31Å; W161-I163 VanDerWaalsContact C-N 3.32Å; W161-I163 PolarHBondContact O-N 3.15Å; W161-S164 PolarHBondContact O-N 3.2Å; W161-E165 PolarHBondContact NE1-OE2 2.91Å; W161-E165 WeakPolarHBondContact O-CB 3.31Å; W161-E165 PolarHBondContact O-N 3.4Å; W161-P177 HydrophobicContact CH2-CB 3.74Å; W161-P177 HydrophobicContact CZ2-CB 3.52Å; W161-L322 HydrophobicContact CB-CD1 3.93Å; W161-L322 HydrophobicContact CD2-CB 3.98Å; W161-L322 HydrophobicContact CD2-CD1 4.05Å; W161-L322 VanDerWaalsContact CE2-CB 3.42Å; W161-L322 HydrophobicContact CG-CB 4.19Å; W161-L322 HydrophobicContact CG-CD1 3.47Å; W161-L322 VanDerWaalsContact CG-CD1 3.47Å; W161-L322 HydrophobicContact CG-CG 4.44Å; W161-L322 HydrophobicContact CZ2-CB 3.8Å; W161-L322 VanDerWaalsContact NE1-CB 3.28Å; W161-A323 HydrophobicContact CH2-CB 4.46Å
162	T	98.3	Very high	97.4	Very high	7 Å²	7	11 Å²	11	4%	0.043	5%	0.051	C	C	.	.	H	α-helix	trans	-69.3	-33.6	-176.4	-62.3	0	0	0	0	111.5	L110 P159 E165 L166 Q331 Y343	L110-T162 HydrophobicContact CD1-CG2 4.05Å; L110-T162 HydrophobicContact CD2-CG2 4.19Å; P159-T162 PolarHBondContact O-N 2.51Å; P159-T162 VanDerWaalsContact O-N 3.09Å; T162-E165 PolarHBondContact O-N 3.15Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 PolarHBondContact O-N 3.25Å; T162-Q331 PolarHBondContact OG1-OE1 2.83Å; T162-Y343 WeakPolarHBondContact CB-OH 3.22Å; T162-Y343 PolarHBondContact OG1-OH 2.65Å
163	I	98.9	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.8	-45.9	172.5	-60.1	165.9	0	0	0	110.3	L110 L122 V127 R130 A131 I134 P159 W161 E165 L166 A167	L110-I163 HydrophobicContact CD1-CG1 3.94Å; L122-I163 HydrophobicContact CD1-CD1 3.87Å; V127-I163 HydrophobicContact CG1-CG1 4.04Å; V127-I163 HydrophobicContact CG2-CG1 4.46Å; R130-I163 HydrophobicContact CB-CG2 3.6Å; R130-I163 VanDerWaalsContact NH1-CD1 3.31Å; A131-I163 HydrophobicContact CB-CG2 4.26Å; I134-I163 HydrophobicContact CD1-CG2 3.76Å; P159-I163 VanDerWaalsContact O-CG1 3.29Å; P159-I163 WeakPolarHBondContact O-CG1 3.43Å; P159-I163 PolarHBondContact O-N 3.22Å; W161-I163 VanDerWaalsContact C-N 3.32Å; W161-I163 PolarHBondContact O-N 3.15Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.44Å; I163-L166 PolarHBondContact O-N 2.97Å; I163-A167 WeakPolarHBondContact O-CB 3.45Å; I163-A167 PolarHBondContact O-N 2.94Å
164	S	98.6	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64	-37.4	177.9	-58.4	0	0	0	0	112.4	E160 W161 A167 C168	E160-S164 VanDerWaalsContact O-CB 3.32Å; E160-S164 WeakPolarHBondContact O-CB 3.36Å; E160-S164 PolarHBondContact O-N 3.14Å; E160-S164 PolarHBondContact O-OG 2.85Å; W161-S164 PolarHBondContact O-N 3.2Å; S164-A167 WeakPolarHBondContact O-CB 3.35Å; S164-A167 PolarHBondContact O-N 3.01Å; S164-C168 PolarHBondContact O-N 2.84Å; S164-C168 PolarHBondContact O-SG 3.11Å
165	E	98.1	Very high	97.5	Very high	13 Å²	13	11 Å²	11	6%	0.061	5%	0.051	C	C	.	.	H	α-helix	trans	-67.4	-44.8	174.7	-179.4	176.1	-174.7	0	0	111.6	I153 W161 T162 I163 A167 C168 Y169 A175 R328	I153-E165 HydrophobicContact CD1-CB 4.06Å; W161-E165 PolarHBondContact NE1-OE2 2.91Å; W161-E165 WeakPolarHBondContact O-CB 3.31Å; W161-E165 PolarHBondContact O-N 3.4Å; T162-E165 PolarHBondContact O-N 3.15Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.44Å; E165-A167 VanDerWaalsContact C-N 3.27Å; E165-A167 PolarHBondContact O-N 3.43Å; E165-C168 WeakPolarHBondContact O-CB 3.42Å; E165-C168 PolarHBondContact O-N 3.44Å; E165-C168 VanDerWaalsContact O-N 3.14Å; E165-Y169 HydrophobicContact CG-CD2 4.25Å; E165-Y169 HydrophobicContact CG-CE1 4.33Å; E165-Y169 HydrophobicContact CG-CE2 3.4Å; E165-Y169 VanDerWaalsContact CG-CZ 3.45Å; E165-Y169 WeakPolarHBondContact CG-OH 3.43Å; E165-Y169 WeakPolarHBondContact O-CD2 3.19Å; E165-Y169 PolarHBondContact O-N 2.96Å; E165-Y169 VanDerWaalsContact O-N 3.15Å; E165-Y169 PolarHBondContact OE1-OH 3.49Å; E165-A175 HydrophobicContact CG-CB 4.43Å; E165-R328 IonicContact OE1-CZ 3.67Å; E165-R328 IonicContact OE1-NE 2.86Å; E165-R328 IonicContact OE1-NH1 2.76Å; E165-R328 PolarHBondContact OE1-NH1 2.84Å; E165-R328 IonicContact OE1-NH2 3.74Å; E165-R328 PolarHBondContact OE1-NH2 3.42Å; E165-R328 IonicContact OE2-CZ 2.62Å; E165-R328 IonicContact OE2-NH2 3.63Å; E165-R328 PolarHBondContact OE2-NH2 3.04Å
166	L	98.7	Very high	97.7	Very high	7 Å²	7	10.8 Å²	10.8	4%	0.037	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-34.7	174	-177.8	63.1	0	0	0	112	F97 V127 A131 T162 I163 C168 Y169 T170	F97-L166 HydrophobicContact CB-CD1 3.78Å; F97-L166 HydrophobicContact CD1-CD1 4.36Å; F97-L166 HydrophobicContact CD1-CD2 3.64Å; F97-L166 HydrophobicContact CD2-CD1 4.12Å; F97-L166 HydrophobicContact CD2-CD2 3.77Å; F97-L166 HydrophobicContact CE1-CD2 3.72Å; F97-L166 HydrophobicContact CE2-CD2 3.85Å; F97-L166 HydrophobicContact CG-CD1 3.81Å; F97-L166 HydrophobicContact CG-CD2 3.68Å; F97-L166 HydrophobicContact CG-CG 4.41Å; F97-L166 HydrophobicContact CZ-CD2 3.85Å; V127-L166 HydrophobicContact CG1-CD2 3.82Å; A131-L166 HydrophobicContact CB-CB 3.98Å; A131-L166 HydrophobicContact CB-CD2 3.81Å; A131-L166 HydrophobicContact CB-CG 3.77Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 PolarHBondContact O-N 3.25Å; I163-L166 PolarHBondContact O-N 2.97Å; L166-C168 VanDerWaalsContact C-N 3.29Å; L166-C168 PolarHBondContact O-N 3.08Å; L166-Y169 PolarHBondContact O-N 3.3Å; L166-T170 WeakPolarHBondContact O-CB 3.38Å; L166-T170 PolarHBondContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 2.69Å
167	A	98.7	Very high	97.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.5	-41.9	173.9	0	0	0	0	0	111.1	A131 I134 I163 S164 E165 T170 Y171	A131-A167 HydrophobicContact CB-CB 4.27Å; A131-A167 WeakPolarHBondContact O-CA 3.46Å; A131-A167 WeakPolarHBondContact O-CB 3.38Å; I134-A167 HydrophobicContact CB-CB 3.73Å; I134-A167 HydrophobicContact CG2-CB 3.62Å; I163-A167 WeakPolarHBondContact O-CB 3.45Å; I163-A167 PolarHBondContact O-N 2.94Å; S164-A167 WeakPolarHBondContact O-CB 3.35Å; S164-A167 PolarHBondContact O-N 3.01Å; E165-A167 VanDerWaalsContact C-N 3.27Å; E165-A167 PolarHBondContact O-N 3.43Å; A167-T170 PolarHBondContact O-N 2.98Å; A167-Y171 WeakPolarHBondContact O-CD2 3.42Å
168	C	98.6	Very high	97.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.5	-50	174.5	-62.1	0	0	0	0	110.8	S164 E165 L166 T170 Y171 S172 L173 A175	S164-C168 PolarHBondContact O-N 2.84Å; S164-C168 PolarHBondContact O-SG 3.11Å; E165-C168 WeakPolarHBondContact O-CB 3.42Å; E165-C168 PolarHBondContact O-N 3.44Å; E165-C168 VanDerWaalsContact O-N 3.14Å; L166-C168 VanDerWaalsContact C-N 3.29Å; L166-C168 PolarHBondContact O-N 3.08Å; C168-T170 VanDerWaalsContact C-N 3.32Å; C168-T170 PolarHBondContact O-N 3.21Å; C168-Y171 CarbonylContact O-C 3.33Å; C168-Y171 PolarHBondContact O-N 2.96Å; C168-S172 PolarHBondContact O-N 2.96Å; C168-L173 HydrophobicContact CB-CB 4.05Å; C168-L173 PolarHBondContact O-N 3.36Å; C168-A175 HydrophobicContact CB-CB 4.5Å
169	Y	98.3	Very high	97	Very high	4 Å²	4	5.1 Å²	5.1	2%	0.016	3%	0.025	C	C	.	.	H	α-helix	trans	-63.9	-35.5	-178.9	-56.3	-27.3	0	0	0	113	I93 E165 L166 Y171 S172 P265 A271 H290 R328	I93-Y169 HydrophobicContact CB-CD2 3.94Å; I93-Y169 HydrophobicContact CB-CE2 3.97Å; I93-Y169 HydrophobicContact CD1-CE1 4.41Å; I93-Y169 HydrophobicContact CD1-CE2 4Å; I93-Y169 HydrophobicContact CG2-CD2 3.67Å; I93-Y169 HydrophobicContact CG2-CE2 3.49Å; I93-Y169 VanDerWaalsContact CG2-CE2 3.49Å; E165-Y169 HydrophobicContact CG-CD2 4.25Å; E165-Y169 HydrophobicContact CG-CE1 4.33Å; E165-Y169 HydrophobicContact CG-CE2 3.4Å; E165-Y169 VanDerWaalsContact CG-CZ 3.45Å; E165-Y169 WeakPolarHBondContact CG-OH 3.43Å; E165-Y169 WeakPolarHBondContact O-CD2 3.19Å; E165-Y169 PolarHBondContact O-N 2.96Å; E165-Y169 VanDerWaalsContact O-N 3.15Å; E165-Y169 PolarHBondContact OE1-OH 3.49Å; L166-Y169 PolarHBondContact O-N 3.3Å; Y169-Y171 PolarHBondContact O-N 2.92Å; Y169-Y171 VanDerWaalsContact O-N 3.14Å; Y169-S172 PolarHBondContact O-N 3.3Å; Y169-P265 WeakPolarHBondContact O-CD 3.34Å; Y169-A271 HydrophobicContact CE1-CB 3.92Å; Y169-A271 WeakPolarHBondContact CE1-O 3.37Å; Y169-H290 AromaticContact CD1-CE1 3.43Å; Y169-H290 VanDerWaalsContact CD1-CE1 3.43Å; Y169-H290 WeakPolarHBondContact CD1-CE1 3.18Å; Y169-H290 AromaticContact CD1-NE2 3.97Å; Y169-H290 AromaticContact CE1-CE1 3.95Å; Y169-H290 AromaticContact CG-CE1 3.76Å; Y169-R328 PolarHBondContact OH-NH1 3.47Å; Y169-R328 VanDerWaalsContact OH-NH1 3.15Å
170	T	98.3	Very high	95.6	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.018	4%	0.039	C	C	.	.	H	α-helix	trans	-59.6	-27.3	179.8	-60.5	0	0	0	0	112.8	Y94 Q132 L166 A167 C168 P262 T263	Y94-T170 HydrophobicContact CE2-CG2 4.08Å; Q132-T170 HydrophobicContact CG-CG2 4.12Å; L166-T170 WeakPolarHBondContact O-CB 3.38Å; L166-T170 PolarHBondContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 2.69Å; A167-T170 PolarHBondContact O-N 2.98Å; C168-T170 VanDerWaalsContact C-N 3.32Å; C168-T170 PolarHBondContact O-N 3.21Å; T170-P262 HydrophobicContact CG2-CB 3.78Å; T170-P262 HydrophobicContact CG2-CG 3.98Å; T170-T263 CarbonylContact O-C 3.59Å; T170-T263 PolarHBondContact O-N 2.84Å
171	Y	98.1	Very high	94	Very high	6 Å²	6	8.7 Å²	8.7	2%	0.024	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	23.5	-177.5	-59.2	-79.7	0	0	0	113.3	Q132 G135 S136 L139 A167 C168 Y169 L173 Q260 R261 T263	Q132-Y171 PolarHBondContact O-OH 2.89Å; G135-Y171 VanDerWaalsContact C-CE2 3.41Å; G135-Y171 VanDerWaalsContact CA-CD2 3.44Å; S136-Y171 PolarHBondContact OG-OH 2.98Å; L139-Y171 HydrophobicContact CD1-CD1 3.39Å; L139-Y171 HydrophobicContact CD1-CE1 3.82Å; L139-Y171 HydrophobicContact CD1-CG 3.91Å; L139-Y171 HydrophobicContact CG-CD1 4.22Å; L139-Y171 HydrophobicContact CG-CG 4.25Å; A167-Y171 WeakPolarHBondContact O-CD2 3.42Å; C168-Y171 CarbonylContact O-C 3.33Å; C168-Y171 PolarHBondContact O-N 2.96Å; Y169-Y171 PolarHBondContact O-N 2.92Å; Y169-Y171 VanDerWaalsContact O-N 3.14Å; Y171-L173 PolarHBondContact O-N 3.38Å; Y171-L173 VanDerWaalsContact O-N 3.14Å; Y171-Q260 HydrophobicContact CE1-CB 3.96Å; Y171-Q260 PolarHBondContact OH-O 3.11Å; Y171-Q260 VanDerWaalsContact OH-O 3.11Å; Y171-R261 WeakPolarHBondContact CE1-O 3.32Å; Y171-T263 CarbonylContact C-O 3.54Å
172	S	97.9	Very high	92.7	Very high	7 Å²	7	9.7 Å²	9.7	5%	0.049	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.3	178.6	-57.7	0	0	0	0	114.3	H145 C168 Y169 T263 P264 P265	H145-S172 PolarHBondContact ND1-O 3.18Å; C168-S172 PolarHBondContact O-N 2.96Å; Y169-S172 PolarHBondContact O-N 3.3Å; S172-T263 PolarHBondContact N-O 3.26Å; S172-T263 PolarHBondContact OG-O 3.22Å; S172-P264 VanDerWaalsContact OG-C 3.24Å; S172-P264 PolarHBondContact OG-O 2.81Å; S172-P265 VanDerWaalsContact OG-CA 3.23Å; S172-P265 WeakPolarHBondContact OG-CA 3.41Å
173	L	98.5	Very high	91.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.073	C	C	.	.			trans	-86	163.6	169.6	-51.9	176.5	0	0	0	109.8	L138 H143 K149 V151 C168 Y171	L138-L173 HydrophobicContact CB-CD1 3.89Å; L138-L173 HydrophobicContact CD1-CD1 3.86Å; L138-L173 HydrophobicContact CG-CD1 4.46Å; H143-L173 HydrophobicContact CB-CD1 4.04Å; H143-L173 HydrophobicContact CB-CD2 4.08Å; K149-L173 HydrophobicContact CB-CD2 4.42Å; V151-L173 HydrophobicContact CG2-CD1 4.3Å; C168-L173 HydrophobicContact CB-CB 4.05Å; C168-L173 PolarHBondContact O-N 3.36Å; Y171-L173 PolarHBondContact O-N 3.38Å; Y171-L173 VanDerWaalsContact O-N 3.14Å
174	V	98.5	Very high	90.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.7	-173.1	-177.6	0	0	0	0	109.5	K149 Y150 V151 L270 I273	K149-V174 HydrophobicContact CD-CG2 4.29Å; K149-V174 HydrophobicContact CG-CG2 4.11Å; K149-V174 PolarHBondContact O-N 3.3Å; Y150-V174 HydrophobicContact CD1-CB 3.71Å; Y150-V174 HydrophobicContact CD1-CG1 3.87Å; Y150-V174 HydrophobicContact CD1-CG2 4.29Å; Y150-V174 HydrophobicContact CE1-CB 4.01Å; Y150-V174 HydrophobicContact CE1-CG1 4.01Å; Y150-V174 HydrophobicContact CE1-CG2 4.15Å; V151-V174 PolarHBondContact N-O 2.85Å; V174-L270 HydrophobicContact CG1-CB 4.23Å; V174-L270 HydrophobicContact CG2-CB 3.73Å; V174-I273 HydrophobicContact CG1-CD1 4.1Å; V174-I273 HydrophobicContact CG1-CG1 3.92Å
175	A	98.4	Very high	89.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.1	176	0	0	0	0	0	110.7	I153 E165 C168 P177 A271 V272 I273	I153-A175 HydrophobicContact CD1-CB 4.13Å; E165-A175 HydrophobicContact CG-CB 4.43Å; C168-A175 HydrophobicContact CB-CB 4.5Å; A175-P177 WeakPolarHBondContact O-CD 3.47Å; A175-A271 PolarHBondContact N-O 2.84Å; A175-V272 VanDerWaalsContact O-CA 3.29Å; A175-V272 WeakPolarHBondContact O-CA 3.38Å; A175-V272 WeakPolarHBondContact O-CG2 3.46Å; A175-I273 PolarHBondContact O-N 2.79Å
176	V	98.1	Very high	88.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	89.4	172.9	-172	0	0	0	0	108.4	Y150 V151 G152 I153 L178 I190 A194 I196 I273 F275	Y150-V176 HydrophobicContact CD1-CG2 4.26Å; Y150-V176 HydrophobicContact CG-CG2 4.39Å; V151-V176 PolarHBondContact O-N 3.42Å; G152-V176 WeakPolarHBondContact CA-O 3.2Å; I153-V176 PolarHBondContact N-O 3.35Å; V176-L178 PolarHBondContact O-N 3.49Å; V176-I190 HydrophobicContact CG1-CG2 4.18Å; V176-A194 HydrophobicContact CG1-CB 4.24Å; V176-A194 HydrophobicContact CG2-CB 4.42Å; V176-I196 HydrophobicContact CB-CD1 3.98Å; V176-I196 HydrophobicContact CG1-CD1 3.8Å; V176-I273 HydrophobicContact CG2-CB 4.31Å; V176-I273 HydrophobicContact CG2-CD1 4.47Å; V176-F275 HydrophobicContact CG1-CD2 4.11Å; V176-F275 HydrophobicContact CG1-CE2 3.82Å
177	P	95.9	Very high	87.5	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.2	-177.6	31.3	-38.2	0	0	0	111.4	W161 A175 V272 I273 A323	W161-P177 HydrophobicContact CH2-CB 3.74Å; W161-P177 HydrophobicContact CZ2-CB 3.52Å; A175-P177 WeakPolarHBondContact O-CD 3.47Å; P177-V272 HydrophobicContact CG-CG2 3.89Å; P177-I273 WeakPolarHBondContact CD-O 3.46Å; P177-A323 HydrophobicContact CB-CB 3.86Å; P177-A323 HydrophobicContact CG-CB 4.41Å
178	L	90.9	Very high	87	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-102.4	124.3	176.5	-63.2	175.4	0	0	0	108.7	I153 F154 V176 D180 I187 I190 I191 V199	I153-L178 PolarHBondContact O-N 2.95Å; F154-L178 HydrophobicContact CB-CB 3.82Å; F154-L178 HydrophobicContact CB-CD1 3.83Å; F154-L178 HydrophobicContact CB-CG 4.36Å; F154-L178 HydrophobicContact CD1-CD1 4.39Å; F154-L178 HydrophobicContact CD2-CB 3.68Å; F154-L178 HydrophobicContact CE2-CB 4.43Å; F154-L178 HydrophobicContact CG-CB 3.83Å; F154-L178 HydrophobicContact CG-CD1 4.13Å; V176-L178 PolarHBondContact O-N 3.49Å; L178-D180 PolarHBondContact O-N 3.47Å; L178-I187 HydrophobicContact CB-CD1 3.95Å; L178-I187 HydrophobicContact CD2-CD1 4.09Å; L178-I187 HydrophobicContact CG-CD1 4.41Å; L178-I190 HydrophobicContact CD2-CB 3.94Å; L178-I190 HydrophobicContact CD2-CD1 4.11Å; L178-I190 HydrophobicContact CD2-CG2 3.38Å; L178-I191 HydrophobicContact CD1-CG1 4.48Å; L178-V199 HydrophobicContact CD1-CG1 4.32Å
179	Y	79.4	Confident	86.4	Confident	18 Å²	18	25.5 Å²	25.5	7%	0.071	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-67.4	129.7	178.1	-83.2	-90.9	0	0	0	110.5	F154 T181 L182 P321 A323 H324 P672	F154-Y179 WeakPolarHBondContact CE2-O 3.42Å; Y179-T181 PolarHBondContact O-N 3.35Å; Y179-L182 HydrophobicContact CD2-CD1 4.23Å; Y179-L182 HydrophobicContact CG-CD1 4.46Å; Y179-L182 PolarHBondContact O-N 2.96Å; Y179-L182 VanDerWaalsContact O-N 3.12Å; Y179-P321 HydrophobicContact CD1-CB 4.4Å; Y179-P321 HydrophobicContact CE1-CB 4.26Å; Y179-A323 HydrophobicContact CD1-CB 3.86Å; Y179-A323 HydrophobicContact CD2-CB 3.76Å; Y179-A323 HydrophobicContact CE1-CB 3.92Å; Y179-A323 HydrophobicContact CE2-CB 3.81Å; Y179-A323 HydrophobicContact CG-CB 3.77Å; Y179-A323 PolarHBondContact OH-O 3.43Å; Y179-H324 HydrophobicContact CE1-CB 4.32Å; Y179-H324 WeakPolarHBondContact OH-CA 3.42Å; Y179-H324 WeakPolarHBondContact OH-CB 3.23Å; Y179-H324 PolarHBondContact OH-CD2 2.86Å; Y179-P672 HydrophobicContact CD1-CB 3.64Å; Y179-P672 HydrophobicContact CD1-CG 4.31Å; Y179-P672 HydrophobicContact CE1-CB 4.02Å; Y179-P672 HydrophobicContact CG-CB 4.2Å; Y179-P672 HydrophobicContact CG-CG 4.39Å
180	D	69.9	Low	86.1	Confident	61 Å²	61	25.3 Å²	25.3	33%	0.326	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.3	174.7	-167.5	45.2	0	0	0	114.5	Q156 L178 K206	Q156-D180 HydrophobicContact CG-CB 4.36Å; Q156-D180 WeakPolarHBondContact CG-OD2 3.33Å; Q156-D180 PolarHBondContact NE2-OD2 2.87Å; L178-D180 PolarHBondContact O-N 3.47Å; D180-K206 WeakPolarHBondContact OD1-CE 3.31Å; D180-K206 IonicContact OD1-NZ 2.83Å; D180-K206 PolarHBondContact OD1-NZ 2.81Å
181	T	65.2	Low	85.8	Confident	53 Å²	53	25.3 Å²	25.3	33%	0.325	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	1.3	-172.6	48.6	0	0	0	0	113.7	Y179 V665 P672	Y179-T181 PolarHBondContact O-N 3.35Å; T181-V665 HydrophobicContact CG2-CG1 4.35Å; T181-V665 WeakPolarHBondContact O-CG1 3.32Å; T181-P672 WeakPolarHBondContact OG1-CA 3.21Å; T181-P672 WeakPolarHBondContact OG1-CB 3.17Å; T181-P672 VanDerWaalsContact OG1-CG 3.31Å; T181-P672 WeakPolarHBondContact OG1-CG 3.35Å
182	L	68.6	Low	85.5	Confident	22 Å²	22	30.1 Å²	30.1	12%	0.115	17%	0.169	C	C	.	.			trans	-76.9	140.6	174.1	-73.3	173	0	0	0	110.3	Y179 A186 I187 I190 P672	Y179-L182 HydrophobicContact CD2-CD1 4.23Å; Y179-L182 HydrophobicContact CG-CD1 4.46Å; Y179-L182 PolarHBondContact O-N 2.96Å; Y179-L182 VanDerWaalsContact O-N 3.12Å; L182-A186 HydrophobicContact CB-CB 4.21Å; L182-A186 HydrophobicContact CD2-CB 4.04Å; L182-A186 HydrophobicContact CG-CB 4.48Å; L182-I187 HydrophobicContact CB-CD1 3.79Å; L182-I187 HydrophobicContact CB-CG1 3.99Å; L182-I187 HydrophobicContact CD1-CD1 4.2Å; L182-I190 HydrophobicContact CD1-CD1 3.62Å; L182-P672 HydrophobicContact CD2-CG 4.02Å; L182-P672 HydrophobicContact CG-CG 4.39Å
183	G	66.7	Low	85.2	Confident	46 Å²	46	33.2 Å²	33.2	47%	0.474	18%	0.18	S	C	.	.			trans	-73.4	164	172.7	0	0	0	0	0	112.3	E185 A186 I187	G183-E185 VanDerWaalsContact C-N 3.3Å; G183-E185 PolarHBondContact O-N 3.09Å; G183-A186 PolarHBondContact O-N 3.31Å; G183-A186 VanDerWaalsContact O-N 3.08Å; G183-I187 PolarHBondContact O-N 3.11Å; G183-I187 VanDerWaalsContact O-N 3.08Å
184	T	77.8	Confident	84.9	Confident	61 Å²	61	33.2 Å²	33.2	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-48.2	-46.9	-177.8	-48.6	0	0	0	0	113	A186 I187 G188 M209 D212 C213	T184-A186 PolarHBondContact O-N 3Å; T184-I187 PolarHBondContact O-N 3.48Å; T184-G188 PolarHBondContact O-N 2.81Å; T184-M209 HydrophobicContact CG2-CG 3.98Å; T184-D212 HydrophobicContact CG2-CB 4.36Å; T184-C213 WeakPolarHBondContact CG2-SG 3.26Å; T184-C213 PolarHBondContact O-SG 3.38Å
185	E	76.9	Confident	84.7	Confident	167 Å²	167	36.1 Å²	36.1	78%	0.78	20%	0.198	S	C	*	.	H	α-helix	trans	-59.3	-45.9	-179.9	-174.1	-177.6	-176.3	0	0	112.8	G183 G188 Y189	G183-E185 VanDerWaalsContact C-N 3.3Å; G183-E185 PolarHBondContact O-N 3.09Å; E185-G188 PolarHBondContact O-N 3.02Å; E185-Y189 WeakPolarHBondContact O-CB 3.48Å; E185-Y189 PolarHBondContact O-N 2.8Å
186	A	78.1	Confident	84.5	Confident	22 Å²	22	36.1 Å²	36.1	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-38.2	178.8	0	0	0	0	0	111.6	L182 G183 T184 I190 P283	L182-A186 HydrophobicContact CB-CB 4.21Å; L182-A186 HydrophobicContact CD2-CB 4.04Å; L182-A186 HydrophobicContact CG-CB 4.48Å; G183-A186 PolarHBondContact O-N 3.31Å; G183-A186 VanDerWaalsContact O-N 3.08Å; T184-A186 PolarHBondContact O-N 3Å; A186-I190 WeakPolarHBondContact O-CD1 3.45Å; A186-I190 WeakPolarHBondContact O-CG1 3.29Å; A186-I190 PolarHBondContact O-N 2.86Å; A186-P283 HydrophobicContact CB-CG 4.17Å
187	I	85.4	Confident	84.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-47.2	175.2	-66.6	-63.1	0	0	0	110.7	F154 L178 L182 G183 T184 Y189 I190 I191 M209	F154-I187 HydrophobicContact CE1-CD1 4.4Å; F154-I187 HydrophobicContact CE1-CG1 4.44Å; F154-I187 HydrophobicContact CE1-CG2 4.46Å; F154-I187 HydrophobicContact CE2-CD1 4.14Å; F154-I187 HydrophobicContact CZ-CD1 4.02Å; F154-I187 HydrophobicContact CZ-CG1 4.17Å; L178-I187 HydrophobicContact CB-CD1 3.95Å; L178-I187 HydrophobicContact CD2-CD1 4.09Å; L178-I187 HydrophobicContact CG-CD1 4.41Å; L182-I187 HydrophobicContact CB-CD1 3.79Å; L182-I187 HydrophobicContact CB-CG1 3.99Å; L182-I187 HydrophobicContact CD1-CD1 4.2Å; G183-I187 PolarHBondContact O-N 3.11Å; G183-I187 VanDerWaalsContact O-N 3.08Å; T184-I187 PolarHBondContact O-N 3.48Å; I187-Y189 PolarHBondContact O-N 2.84Å; I187-I190 PolarHBondContact O-N 2.8Å; I187-I191 HydrophobicContact CG2-CD1 3.72Å; I187-I191 HydrophobicContact CG2-CG1 4.4Å; I187-I191 WeakPolarHBondContact O-CG1 3.46Å; I187-I191 PolarHBondContact O-N 3.12Å; I187-M209 HydrophobicContact CG1-SD 4.25Å
188	G	87.9	Confident	84.5	Confident	12 Å²	12	36.5 Å²	36.5	12%	0.124	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-48.3	176.1	0	0	0	0	0	112	T184 E185 I190 I191 E192	T184-G188 PolarHBondContact O-N 2.81Å; E185-G188 PolarHBondContact O-N 3.02Å; G188-I190 VanDerWaalsContact C-N 3.32Å; G188-I190 PolarHBondContact O-N 3.21Å; G188-I191 PolarHBondContact O-N 3.26Å; G188-E192 PolarHBondContact O-N 2.89Å
189	Y	86.7	Confident	84.8	Confident	51 Å²	51	36.5 Å²	36.5	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-44.8	175.2	177.2	-90.9	0	0	0	112.4	E185 I187 R193 N282 P283	E185-Y189 WeakPolarHBondContact O-CB 3.48Å; E185-Y189 PolarHBondContact O-N 2.8Å; I187-Y189 PolarHBondContact O-N 2.84Å; Y189-R193 HydrophobicContact CE1-CB 4.16Å; Y189-R193 HydrophobicContact CE1-CG 4.24Å; Y189-R193 WeakPolarHBondContact O-CB 3.44Å; Y189-R193 PolarHBondContact O-N 2.82Å; Y189-N282 HydrophobicContact CD1-CB 4.21Å; Y189-N282 HydrophobicContact CD2-CB 4.16Å; Y189-N282 HydrophobicContact CE1-CB 3.87Å; Y189-N282 HydrophobicContact CE2-CB 3.8Å; Y189-N282 WeakPolarHBondContact CE2-ND2 3.43Å; Y189-N282 HydrophobicContact CG-CB 4.35Å; Y189-P283 WeakPolarHBondContact CE1-O 3.41Å
190	I	90	Very high	85.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-46.9	-179.8	-68	165.8	0	0	0	111.1	V176 L178 L182 A186 I187 G188 E192 R193 A194 I196 F275 P283	V176-I190 HydrophobicContact CG1-CG2 4.18Å; L178-I190 HydrophobicContact CD2-CB 3.94Å; L178-I190 HydrophobicContact CD2-CD1 4.11Å; L178-I190 HydrophobicContact CD2-CG2 3.38Å; L182-I190 HydrophobicContact CD1-CD1 3.62Å; A186-I190 WeakPolarHBondContact O-CD1 3.45Å; A186-I190 WeakPolarHBondContact O-CG1 3.29Å; A186-I190 PolarHBondContact O-N 2.86Å; I187-I190 PolarHBondContact O-N 2.8Å; G188-I190 VanDerWaalsContact C-N 3.32Å; G188-I190 PolarHBondContact O-N 3.21Å; I190-E192 VanDerWaalsContact C-N 3.3Å; I190-E192 PolarHBondContact O-N 3.27Å; I190-R193 PolarHBondContact O-N 3.19Å; I190-A194 WeakPolarHBondContact O-CB 3.43Å; I190-A194 PolarHBondContact O-N 3.01Å; I190-I196 HydrophobicContact CG2-CD1 4.47Å; I190-F275 HydrophobicContact CB-CD1 4.48Å; I190-F275 HydrophobicContact CB-CD2 4.4Å; I190-F275 HydrophobicContact CB-CE1 4.46Å; I190-F275 HydrophobicContact CB-CE2 4.43Å; I190-F275 HydrophobicContact CB-CG 4.42Å; I190-F275 HydrophobicContact CB-CZ 4.43Å; I190-F275 HydrophobicContact CD1-CB 3.74Å; I190-F275 HydrophobicContact CD1-CD1 4.31Å; I190-F275 HydrophobicContact CD1-CD2 4.4Å; I190-F275 HydrophobicContact CD1-CG 3.9Å; I190-F275 HydrophobicContact CG1-CB 4.04Å; I190-F275 HydrophobicContact CG1-CD1 3.63Å; I190-F275 HydrophobicContact CG1-CD2 4.09Å; I190-F275 HydrophobicContact CG1-CE1 4.02Å; I190-F275 HydrophobicContact CG1-CE2 4.47Å; I190-F275 HydrophobicContact CG1-CG 3.64Å; I190-F275 HydrophobicContact CG1-CZ 4.42Å; I190-F275 HydrophobicContact CG2-CD1 4.37Å; I190-F275 HydrophobicContact CG2-CD2 3.5Å; I190-F275 VanDerWaalsContact CG2-CD2 3.5Å; I190-F275 HydrophobicContact CG2-CE1 4.28Å; I190-F275 HydrophobicContact CG2-CE2 3.43Å; I190-F275 VanDerWaalsContact CG2-CE2 3.43Å; I190-F275 HydrophobicContact CG2-CG 3.98Å; I190-F275 HydrophobicContact CG2-CZ 3.83Å; I190-P283 HydrophobicContact CD1-CB 4.42Å; I190-P283 HydrophobicContact CG1-CB 4.38Å
191	I	92.7	Very high	86.9	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-45.2	179.6	-73.7	171	0	0	0	110.7	L178 I187 G188 T195 I196 I210 T220 V221	L178-I191 HydrophobicContact CD1-CG1 4.48Å; I187-I191 HydrophobicContact CG2-CD1 3.72Å; I187-I191 HydrophobicContact CG2-CG1 4.4Å; I187-I191 WeakPolarHBondContact O-CG1 3.46Å; I187-I191 PolarHBondContact O-N 3.12Å; G188-I191 PolarHBondContact O-N 3.26Å; I191-T195 WeakPolarHBondContact O-CA 3.49Å; I191-T195 PolarHBondContact O-N 3.39Å; I191-I196 HydrophobicContact CG1-CD1 4.35Å; I191-I196 PolarHBondContact O-N 3.13Å; I191-I210 HydrophobicContact CD1-CG1 4.19Å; I191-I210 HydrophobicContact CD1-CG2 4.1Å; I191-T220 WeakPolarHBondContact CG2-OG1 3.22Å; I191-V221 HydrophobicContact CG2-CG2 3.47Å; I191-V221 VanDerWaalsContact CG2-CG2 3.47Å
192	E	91.3	Very high	88.4	Confident	107 Å²	107	30.4 Å²	30.4	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-67	-50.3	176.9	-173.6	-174.6	-178.2	0	0	111.2	G188 I190 A194 T195	G188-E192 PolarHBondContact O-N 2.89Å; I190-E192 VanDerWaalsContact C-N 3.3Å; I190-E192 PolarHBondContact O-N 3.27Å; E192-A194 PolarHBondContact O-N 2.76Å; E192-T195 WeakPolarHBondContact O-CA 3.31Å; E192-T195 WeakPolarHBondContact O-CG2 3.29Å; E192-T195 PolarHBondContact O-N 3.23Å
193	R	92.1	Very high	89.6	Confident	72 Å²	72	31.5 Å²	31.5	27%	0.272	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-45.3	-175.7	-170.8	66.5	169.6	-171.2	-6.9	111.8	Y189 I190 T195 F275 L520 K521	Y189-R193 HydrophobicContact CE1-CB 4.16Å; Y189-R193 HydrophobicContact CE1-CG 4.24Å; Y189-R193 WeakPolarHBondContact O-CB 3.44Å; Y189-R193 PolarHBondContact O-N 2.82Å; I190-R193 PolarHBondContact O-N 3.19Å; R193-T195 VanDerWaalsContact C-N 3.26Å; R193-F275 HydrophobicContact CB-CE1 4.39Å; R193-F275 HydrophobicContact CB-CZ 4.38Å; R193-F275 HydrophobicContact CG-CE1 4.25Å; R193-F275 HydrophobicContact CG-CZ 4.37Å; R193-L520 PolarHBondContact NE-O 2.67Å; R193-K521 VanDerWaalsContact NH2-C 3.32Å; R193-K521 PolarHBondContact NH2-O 3.11Å; R193-K521 WeakPolarHBondContact O-CD 3.36Å; R193-K521 WeakPolarHBondContact O-CE 3.37Å; R193-K521 PolarHBondContact O-NZ 3.01Å
194	A	93.2	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2	175.7	0	0	0	0	0	113.4	Y150 V176 I190 E192 I196 F275 L520	Y150-A194 WeakPolarHBondContact CD2-O 3.23Å; V176-A194 HydrophobicContact CG1-CB 4.24Å; V176-A194 HydrophobicContact CG2-CB 4.42Å; I190-A194 WeakPolarHBondContact O-CB 3.43Å; I190-A194 PolarHBondContact O-N 3.01Å; E192-A194 PolarHBondContact O-N 2.76Å; A194-I196 HydrophobicContact CB-CD1 4.11Å; A194-I196 HydrophobicContact CB-CG1 3.71Å; A194-I196 PolarHBondContact O-N 3.04Å; A194-F275 HydrophobicContact CB-CE2 4.21Å; A194-F275 HydrophobicContact CB-CZ 4.2Å; A194-L520 HydrophobicContact CB-CD2 3.87Å
195	T	93.2	Very high	91.8	Very high	63 Å²	63	32.8 Å²	32.8	39%	0.387	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.8	179.9	41.6	0	0	0	0	111.6	I191 E192 R193 T220 K521	I191-T195 WeakPolarHBondContact O-CA 3.49Å; I191-T195 PolarHBondContact O-N 3.39Å; E192-T195 WeakPolarHBondContact O-CA 3.31Å; E192-T195 WeakPolarHBondContact O-CG2 3.29Å; E192-T195 PolarHBondContact O-N 3.23Å; R193-T195 VanDerWaalsContact C-N 3.26Å; T195-T220 HydrophobicContact CG2-CG2 4.42Å; T195-K521 VanDerWaalsContact CG2-NZ 3.35Å; T195-K521 PolarHBondContact OG1-NZ 3.08Å
196	I	95.3	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.			trans	-73.8	126.6	-174.2	-56.3	178.3	0	0	0	109.4	V176 I190 I191 A194 T198 V199 T220 V221	V176-I196 HydrophobicContact CB-CD1 3.98Å; V176-I196 HydrophobicContact CG1-CD1 3.8Å; I190-I196 HydrophobicContact CG2-CD1 4.47Å; I191-I196 HydrophobicContact CG1-CD1 4.35Å; I191-I196 PolarHBondContact O-N 3.13Å; A194-I196 HydrophobicContact CB-CD1 4.11Å; A194-I196 HydrophobicContact CB-CG1 3.71Å; A194-I196 PolarHBondContact O-N 3.04Å; I196-T198 WeakPolarHBondContact CG2-O 3.41Å; I196-V199 HydrophobicContact CG2-CG2 3.79Å; I196-T220 CarbonylContact O-C 3.58Å; I196-T220 VanDerWaalsContact O-C 3.3Å; I196-T220 WeakPolarHBondContact O-CB 3.49Å; I196-V221 PolarHBondContact O-N 2.93Å
197	S	95.1	Very high	93.4	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.035	12%	0.123	C	C	.	.			trans	-101.6	-28.1	176.8	66.8	0	0	0	0	114.3	H143 D148 T220 V221 K222 T223	H143-S197 PolarHBondContact CE1-OG 3.37Å; D148-S197 PolarHBondContact OD1-OG 2.87Å; D148-S197 VanDerWaalsContact OD1-OG 3.14Å; D148-S197 WeakPolarHBondContact OD2-CB 3.44Å; D148-S197 PolarHBondContact OD2-OG 3.42Å; S197-T220 VanDerWaalsContact CA-O 3.28Å; S197-T220 WeakPolarHBondContact CA-O 3.41Å; S197-V221 WeakPolarHBondContact O-CA 3.45Å; S197-K222 PolarHBondContact O-N 3.29Å; S197-T223 PolarHBondContact O-N 3.34Å; S197-T223 VanDerWaalsContact O-N 3.1Å
198	T	97.7	Very high	93.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	176.6	-62.9	0	0	0	0	110.3	L138 H143 G152 I196 T223 V225	L138-T198 HydrophobicContact CD2-CG2 3.95Å; H143-T198 VanDerWaalsContact NE2-CB 3.3Å; H143-T198 WeakPolarHBondContact NE2-CB 3.32Å; H143-T198 PolarHBondContact NE2-OG1 2.85Å; G152-T198 PolarHBondContact N-O 3.33Å; I196-T198 WeakPolarHBondContact CG2-O 3.41Å; T198-T223 VanDerWaalsContact CA-O 3.31Å; T198-T223 WeakPolarHBondContact CA-O 3.37Å; T198-T223 HydrophobicContact CG2-CG2 4.47Å; T198-V225 HydrophobicContact CG2-CG2 4.35Å
199	V	97.9	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.2	173.3	-174.6	0	0	0	0	109.8	G152 F154 L178 I196 C201 I210 V221 T223 I224 V225	G152-V199 CarbonylContact O-C 3.52Å; G152-V199 WeakPolarHBondContact O-CA 3.37Å; F154-V199 HydrophobicContact CB-CG1 4.04Å; L178-V199 HydrophobicContact CD1-CG1 4.32Å; I196-V199 HydrophobicContact CG2-CG2 3.79Å; V199-C201 HydrophobicContact CG1-CB 4.49Å; V199-I210 HydrophobicContact CB-CD1 4.02Å; V199-I210 HydrophobicContact CG1-CD1 3.63Å; V199-I210 HydrophobicContact CG2-CD1 4.36Å; V199-V221 HydrophobicContact CG2-CG2 4.38Å; V199-T223 PolarHBondContact N-O 2.99Å; V199-I224 CarbonylContact O-C 3.58Å; V199-I224 WeakPolarHBondContact O-CA 3.4Å; V199-V225 PolarHBondContact O-N 3.31Å
200	I	98.4	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.4	170.7	-51.9	172.9	0	0	0	107.4	I134 V151 G152 I153 F154 V225 M227	I134-I200 HydrophobicContact CG2-CD1 4.14Å; V151-I200 HydrophobicContact CG1-CD1 4.12Å; V151-I200 HydrophobicContact CG1-CG1 4.35Å; G152-I200 PolarHBondContact O-N 3.35Å; I153-I200 CarbonylContact C-O 3.52Å; I153-I200 WeakPolarHBondContact CA-O 3.35Å; F154-I200 PolarHBondContact N-O 3.13Å; I200-V225 CarbonylContact C-O 3.51Å; I200-V225 WeakPolarHBondContact CA-O 3.37Å; I200-V225 HydrophobicContact CB-CB 4.48Å; I200-V225 HydrophobicContact CG1-CB 4.17Å; I200-V225 HydrophobicContact CG1-CG2 4.5Å; I200-V225 HydrophobicContact CG2-CB 4.32Å; I200-V225 HydrophobicContact CG2-CG1 4.45Å; I200-M227 HydrophobicContact CG2-CE 3.66Å
201	C	95.7	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.4	-178.1	62	0	0	0	0	112.9	F154 V199 K206 I224 V225 L226 M227	F154-C201 HydrophobicContact CB-CB 4.02Å; F154-C201 WeakPolarHBondContact O-CA 3.28Å; F154-C201 WeakPolarHBondContact O-CB 3.37Å; V199-C201 HydrophobicContact CG1-CB 4.49Å; C201-K206 HydrophobicContact CB-CB 4.28Å; C201-I224 VanDerWaalsContact SG-CG2 3.53Å; C201-V225 PolarHBondContact N-O 3.3Å; C201-L226 CarbonylContact O-C 3.54Å; C201-L226 WeakPolarHBondContact O-CA 3.33Å; C201-L226 WeakPolarHBondContact SG-CD2 3.28Å; C201-M227 WeakPolarHBondContact O-CG 3.45Å; C201-M227 PolarHBondContact O-N 3.01Å
202	D	94.8	Very high	94.2	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.027	15%	0.146	C	C	.	.	S	Bend	trans	-79.3	-52.3	-176.3	47.2	12.5	0	0	0	113.4	F154 S155 Q156 K206 M227 E228	F154-D202 PolarHBondContact O-N 3.13Å; S155-D202 WeakPolarHBondContact CA-OD2 3.43Å; S155-D202 WeakPolarHBondContact CB-OD2 3.41Å; S155-D202 WeakPolarHBondContact OG-CB 3.39Å; S155-D202 PolarHBondContact OG-OD2 3.11Å; S155-D202 VanDerWaalsContact OG-OD2 3.07Å; Q156-D202 PolarHBondContact N-OD2 2.93Å; D202-K206 VanDerWaalsContact CG-NZ 3.28Å; D202-K206 WeakPolarHBondContact OD1-CD 3.26Å; D202-K206 WeakPolarHBondContact OD1-CE 3.43Å; D202-K206 IonicContact OD1-NZ 3.3Å; D202-K206 PolarHBondContact OD1-NZ 3.46Å; D202-K206 IonicContact OD2-NZ 2.75Å; D202-K206 PolarHBondContact OD2-NZ 3.3Å; D202-M227 HydrophobicContact CB-SD 4.1Å; D202-E228 VanDerWaalsContact O-CB 3.22Å; D202-E228 WeakPolarHBondContact O-CB 3.34Å; D202-E228 WeakPolarHBondContact O-CG 3.23Å; D202-E228 PolarHBondContact O-N 3.4Å
203	V	95.5	Very high	94	Very high	44 Å²	44	25.4 Å²	25.4	27%	0.267	13%	0.129	S	C	.	.	S	Bend	trans	-116.9	150.8	-168.4	-57.6	0	0	0	0	113.6	E205 K206 A207 L226	V203-E205 HydrophobicContact CG2-CB 4.31Å; V203-E205 PolarHBondContact O-N 3.49Å; V203-K206 HydrophobicContact CG2-CB 4.37Å; V203-K206 HydrophobicContact CG2-CD 4.11Å; V203-K206 HydrophobicContact CG2-CG 3.86Å; V203-K206 PolarHBondContact O-N 3.49Å; V203-A207 PolarHBondContact O-N 3.46Å; V203-L226 VanDerWaalsContact C-CD2 3.48Å; V203-L226 WeakPolarHBondContact O-CD2 3.19Å
204	A	96.3	Very high	93.5	Very high	14 Å²	14	22.4 Å²	22.4	12%	0.116	12%	0.118	C	C	.	.	H	α-helix	trans	-55.1	-35.2	179.5	0	0	0	0	0	113.7	K206 A207 R208 F230 L234	A204-K206 VanDerWaalsContact C-N 3.29Å; A204-K206 PolarHBondContact O-N 3.21Å; A204-A207 WeakPolarHBondContact O-CB 3.48Å; A204-A207 PolarHBondContact O-N 3.41Å; A204-A207 VanDerWaalsContact O-N 3.14Å; A204-R208 WeakPolarHBondContact O-CG 3.5Å; A204-R208 PolarHBondContact O-N 3.49Å; A204-F230 HydrophobicContact CB-CB 4.4Å; A204-L234 HydrophobicContact CB-CD2 3.82Å
205	E	93.6	Very high	92.4	Very high	121 Å²	121	26.2 Å²	26.2	57%	0.565	15%	0.145	S	C	*	.	H	α-helix	trans	-60.8	-35.6	177.5	-66	-50.7	128.8	0	0	113.1	V203 R208 M209	V203-E205 HydrophobicContact CG2-CB 4.31Å; V203-E205 PolarHBondContact O-N 3.49Å; E205-R208 WeakPolarHBondContact O-CB 3.48Å; E205-R208 PolarHBondContact O-N 3.39Å; E205-R208 IonicContact OE1-CZ 2.69Å; E205-R208 IonicContact OE1-NH1 3.91Å; E205-R208 PolarHBondContact OE1-NH1 3.35Å; E205-M209 PolarHBondContact O-N 2.91Å
206	K	93.8	Very high	90.8	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.057	17%	0.168	C	C	.	.	H	α-helix	trans	-71.9	-35.9	175.9	-69.8	-179.4	-167.8	169.1	0	111.9	F154 D180 C201 D202 V203 A204 R208 M209 I210	F154-K206 HydrophobicContact CD1-CB 3.71Å; F154-K206 HydrophobicContact CD1-CD 3.87Å; F154-K206 HydrophobicContact CD1-CG 4.01Å; F154-K206 HydrophobicContact CD2-CD 3.85Å; F154-K206 HydrophobicContact CE1-CB 3.65Å; F154-K206 HydrophobicContact CE1-CD 3.89Å; F154-K206 HydrophobicContact CE1-CG 3.66Å; F154-K206 HydrophobicContact CE2-CD 3.88Å; F154-K206 HydrophobicContact CE2-CG 4.35Å; F154-K206 HydrophobicContact CG-CB 4.46Å; F154-K206 HydrophobicContact CG-CD 3.85Å; F154-K206 HydrophobicContact CG-CG 4.48Å; F154-K206 HydrophobicContact CZ-CB 4.35Å; F154-K206 HydrophobicContact CZ-CD 3.89Å; F154-K206 HydrophobicContact CZ-CG 3.85Å; F154-K206 WeakPolarHBondContact O-CD 3.3Å; D180-K206 WeakPolarHBondContact OD1-CE 3.31Å; D180-K206 IonicContact OD1-NZ 2.83Å; D180-K206 PolarHBondContact OD1-NZ 2.81Å; C201-K206 HydrophobicContact CB-CB 4.28Å; D202-K206 VanDerWaalsContact CG-NZ 3.28Å; D202-K206 WeakPolarHBondContact OD1-CD 3.26Å; D202-K206 WeakPolarHBondContact OD1-CE 3.43Å; D202-K206 IonicContact OD1-NZ 3.3Å; D202-K206 PolarHBondContact OD1-NZ 3.46Å; D202-K206 IonicContact OD2-NZ 2.75Å; D202-K206 PolarHBondContact OD2-NZ 3.3Å; V203-K206 HydrophobicContact CG2-CB 4.37Å; V203-K206 HydrophobicContact CG2-CD 4.11Å; V203-K206 HydrophobicContact CG2-CG 3.86Å; V203-K206 PolarHBondContact O-N 3.49Å; A204-K206 VanDerWaalsContact C-N 3.29Å; A204-K206 PolarHBondContact O-N 3.21Å; K206-R208 VanDerWaalsContact C-N 3.34Å; K206-M209 PolarHBondContact O-N 3.02Å; K206-I210 WeakPolarHBondContact O-CD1 3.38Å; K206-I210 VanDerWaalsContact O-CG1 3.25Å; K206-I210 WeakPolarHBondContact O-CG1 3.25Å; K206-I210 PolarHBondContact O-N 3.08Å
207	A	95.2	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-39.9	172.1	0	0	0	0	0	111.6	V203 A204 I210 L211 I224 L226 L234	V203-A207 PolarHBondContact O-N 3.46Å; A204-A207 WeakPolarHBondContact O-CB 3.48Å; A204-A207 PolarHBondContact O-N 3.41Å; A204-A207 VanDerWaalsContact O-N 3.14Å; A207-I210 PolarHBondContact O-N 3.22Å; A207-L211 PolarHBondContact O-N 2.89Å; A207-I224 HydrophobicContact CB-CD1 4.44Å; A207-I224 HydrophobicContact CB-CG2 3.96Å; A207-L226 HydrophobicContact CB-CD1 4.04Å; A207-L226 HydrophobicContact CB-CD2 4.18Å; A207-L226 HydrophobicContact CB-CG 4.37Å; A207-L234 HydrophobicContact CB-CD1 4.47Å; A207-L234 HydrophobicContact CB-CD2 3.99Å
208	R	94.3	Very high	86.9	Confident	49 Å²	49	35.9 Å²	35.9	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-47.3	171.8	-70.3	178	177	98.5	10.9	111.5	A204 E205 K206 I210 L211 D212 D231 L234	A204-R208 WeakPolarHBondContact O-CG 3.5Å; A204-R208 PolarHBondContact O-N 3.49Å; E205-R208 WeakPolarHBondContact O-CB 3.48Å; E205-R208 PolarHBondContact O-N 3.39Å; E205-R208 IonicContact OE1-CZ 2.69Å; E205-R208 IonicContact OE1-NH1 3.91Å; E205-R208 PolarHBondContact OE1-NH1 3.35Å; K206-R208 VanDerWaalsContact C-N 3.34Å; R208-I210 VanDerWaalsContact C-N 3.34Å; R208-I210 PolarHBondContact O-N 3.18Å; R208-L211 WeakPolarHBondContact O-CA 3.37Å; R208-L211 VanDerWaalsContact O-CB 3.29Å; R208-L211 WeakPolarHBondContact O-CB 3.45Å; R208-L211 PolarHBondContact O-N 2.91Å; R208-L211 VanDerWaalsContact O-N 3.13Å; R208-D212 PolarHBondContact O-N 3.3Å; R208-D231 IonicContact CZ-OD2 3.09Å; R208-D231 IonicContact NH2-OD1 3.98Å; R208-D231 IonicContact NH2-OD2 2.66Å; R208-D231 PolarHBondContact NH2-OD2 2.95Å; R208-L234 HydrophobicContact CG-CD1 3.66Å
209	M	90.6	Very high	85.5	Confident	47 Å²	47	42 Å²	42	23%	0.232	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-42.8	176.2	-175.8	-172.8	-64.8	0	0	112.2	F154 T184 I187 E205 K206 L211 D212 C213	F154-M209 HydrophobicContact CE1-SD 4.05Å; F154-M209 HydrophobicContact CZ-SD 4Å; T184-M209 HydrophobicContact CG2-CG 3.98Å; I187-M209 HydrophobicContact CG1-SD 4.25Å; E205-M209 PolarHBondContact O-N 2.91Å; K206-M209 PolarHBondContact O-N 3.02Å; M209-L211 VanDerWaalsContact C-N 3.34Å; M209-L211 PolarHBondContact O-N 2.84Å; M209-D212 WeakPolarHBondContact O-CB 3.29Å; M209-D212 PolarHBondContact O-N 3.41Å; M209-C213 PolarHBondContact O-N 3.11Å; M209-C213 PolarHBondContact O-SG 2.99Å
210	I	92.9	Very high	84.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-44.1	175.5	-67.1	160.4	0	0	0	110.7	F154 I191 V199 K206 A207 R208 D212 C213 I214 V221 I224	F154-I210 HydrophobicContact CD1-CD1 4.15Å; F154-I210 HydrophobicContact CD1-CG1 4.35Å; I191-I210 HydrophobicContact CD1-CG1 4.19Å; I191-I210 HydrophobicContact CD1-CG2 4.1Å; V199-I210 HydrophobicContact CB-CD1 4.02Å; V199-I210 HydrophobicContact CG1-CD1 3.63Å; V199-I210 HydrophobicContact CG2-CD1 4.36Å; K206-I210 WeakPolarHBondContact O-CD1 3.38Å; K206-I210 VanDerWaalsContact O-CG1 3.25Å; K206-I210 WeakPolarHBondContact O-CG1 3.25Å; K206-I210 PolarHBondContact O-N 3.08Å; A207-I210 PolarHBondContact O-N 3.22Å; R208-I210 VanDerWaalsContact C-N 3.34Å; R208-I210 PolarHBondContact O-N 3.18Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.17Å; I210-C213 WeakPolarHBondContact O-CB 3.33Å; I210-C213 PolarHBondContact O-N 3.26Å; I210-I214 WeakPolarHBondContact O-CG1 3.29Å; I210-I214 PolarHBondContact O-N 2.61Å; I210-V221 HydrophobicContact CG2-CG1 4.34Å; I210-V221 HydrophobicContact CG2-CG2 4.25Å; I210-I224 HydrophobicContact CB-CD1 4.12Å; I210-I224 HydrophobicContact CD1-CD1 4.39Å; I210-I224 HydrophobicContact CG2-CD1 3.78Å; I210-I224 HydrophobicContact CG2-CG1 4.45Å
211	L	92.6	Very high	84.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-40.2	175.2	-100.1	159.1	0	0	0	112.2	A207 R208 M209 I214 S215 I224 L234 R237 A238 V243	A207-L211 PolarHBondContact O-N 2.89Å; R208-L211 WeakPolarHBondContact O-CA 3.37Å; R208-L211 VanDerWaalsContact O-CB 3.29Å; R208-L211 WeakPolarHBondContact O-CB 3.45Å; R208-L211 PolarHBondContact O-N 2.91Å; R208-L211 VanDerWaalsContact O-N 3.13Å; M209-L211 VanDerWaalsContact C-N 3.34Å; M209-L211 PolarHBondContact O-N 2.84Å; L211-I214 HydrophobicContact CD2-CD1 4.23Å; L211-I214 WeakPolarHBondContact O-CG1 3.48Å; L211-I214 PolarHBondContact O-N 2.75Å; L211-S215 PolarHBondContact O-N 3.24Å; L211-I224 HydrophobicContact CD2-CD1 3.69Å; L211-L234 HydrophobicContact CD1-CD1 3.7Å; L211-R237 HydrophobicContact CD1-CB 4.43Å; L211-R237 HydrophobicContact CD1-CG 4.05Å; L211-A238 HydrophobicContact CD1-CB 4.05Å; L211-A238 HydrophobicContact CD2-CB 4.26Å; L211-V243 HydrophobicContact CD2-CB 4.35Å; L211-V243 HydrophobicContact CD2-CG1 4.36Å; L211-V243 HydrophobicContact CD2-CG2 4.41Å
212	D	89.6	Confident	84.5	Confident	78 Å²	78	50 Å²	50	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-41.1	174	-65.4	-42.2	0	0	0	111.6	T184 R208 M209 I210 I214 S215 R237	T184-D212 HydrophobicContact CG2-CB 4.36Å; R208-D212 PolarHBondContact O-N 3.3Å; M209-D212 WeakPolarHBondContact O-CB 3.29Å; M209-D212 PolarHBondContact O-N 3.41Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.17Å; D212-I214 VanDerWaalsContact C-N 3.31Å; D212-I214 PolarHBondContact O-N 2.6Å; D212-S215 PolarHBondContact O-OG 3.47Å; D212-R237 IonicContact OD1-CZ 3.7Å; D212-R237 IonicContact OD1-NH1 3.98Å; D212-R237 IonicContact OD1-NH2 3.01Å; D212-R237 PolarHBondContact OD1-NH2 2.54Å
213	C	85.4	Confident	84.6	Confident	19 Å²	19	50.1 Å²	50.1	13%	0.128	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-36	178.4	-65.2	0	0	0	0	113	T184 M209 I210	T184-C213 WeakPolarHBondContact CG2-SG 3.26Å; T184-C213 PolarHBondContact O-SG 3.38Å; M209-C213 PolarHBondContact O-N 3.11Å; M209-C213 PolarHBondContact O-SG 2.99Å; I210-C213 WeakPolarHBondContact O-CB 3.33Å; I210-C213 PolarHBondContact O-N 3.26Å
214	I	83.3	Confident	84.7	Confident	10 Å²	10	48 Å²	48	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-95.4	-6.7	-173.2	67.6	177	0	0	0	113.3	I210 L211 D212 G216 V221 V243	I210-I214 WeakPolarHBondContact O-CG1 3.29Å; I210-I214 PolarHBondContact O-N 2.61Å; L211-I214 HydrophobicContact CD2-CD1 4.23Å; L211-I214 WeakPolarHBondContact O-CG1 3.48Å; L211-I214 PolarHBondContact O-N 2.75Å; D212-I214 VanDerWaalsContact C-N 3.31Å; D212-I214 PolarHBondContact O-N 2.6Å; I214-G216 PolarHBondContact O-N 3.14Å; I214-V221 HydrophobicContact CD1-CB 4.41Å; I214-V221 HydrophobicContact CG2-CG2 4.25Å; I214-V243 HydrophobicContact CD1-CG2 3.49Å; I214-V243 VanDerWaalsContact CD1-CG2 3.49Å
215	S	69.4	Low	84.9	Confident	80 Å²	80	47.4 Å²	47.4	56%	0.559	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	92.6	177.2	58.5	0	0	0	0	110.7	L211 D212	L211-S215 PolarHBondContact O-N 3.24Å; D212-S215 PolarHBondContact O-OG 3.47Å
216	G	59.9	Low	85.1	Confident	84 Å²	84	41.7 Å²	41.7	87%	0.866	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	115.4	-5.8	174	0	0	0	0	0	116	I214	I214-G216 PolarHBondContact O-N 3.14Å
217	Q	54	Low	85.2	Confident	120 Å²	120	42.5 Å²	42.5	56%	0.561	25%	0.25	S	S	*	.	S	Bend	trans	-117.5	163.7	175.9	-67.5	-178.6	-15.4	0	0	110.6	K219	Q217-K219 PolarHBondContact O-N 3.49Å; Q217-K219 VanDerWaalsContact O-N 3.1Å
218	G	54.9	Low	85.3	Confident	66 Å²	66	46.7 Å²	46.7	68%	0.68	27%	0.27	S	S	*	.			trans	-48.3	118.3	-175.6	0	0	0	0	0	112.4	T220	G218-T220 PolarHBondContact O-N 2.99Å
219	K	66.9	Low	85.3	Confident	131 Å²	131	49 Å²	49	57%	0.57	30%	0.299	S	S	*	.			trans	-69.8	92.2	-174	-61.1	-179	178.1	-167.8	0	110.9	Q217 S241	Q217-K219 PolarHBondContact O-N 3.49Å; Q217-K219 VanDerWaalsContact O-N 3.1Å; K219-S241 WeakPolarHBondContact CD-O 3.41Å; K219-S241 VanDerWaalsContact CE-O 3.27Å; K219-S241 WeakPolarHBondContact CE-O 3.4Å; K219-S241 PolarHBondContact NZ-O 3.24Å
220	T	84.3	Confident	85.6	Confident	34 Å²	34	49.5 Å²	49.5	21%	0.209	30%	0.3	C	S	.	.			trans	-83.2	-44.3	173.4	48.6	0	0	0	0	111.1	I191 T195 I196 S197 G218	I191-T220 WeakPolarHBondContact CG2-OG1 3.22Å; T195-T220 HydrophobicContact CG2-CG2 4.42Å; I196-T220 CarbonylContact O-C 3.58Å; I196-T220 VanDerWaalsContact O-C 3.3Å; I196-T220 WeakPolarHBondContact O-CB 3.49Å; S197-T220 VanDerWaalsContact CA-O 3.28Å; S197-T220 WeakPolarHBondContact CA-O 3.41Å; G218-T220 PolarHBondContact O-N 2.99Å
221	V	93.6	Very high	85.7	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	32%	0.316	C	S	.	.			trans	-70.6	127.4	179.1	-175.6	0	0	0	0	110.8	I191 I196 S197 V199 I210 I214 I224 V243	I191-V221 HydrophobicContact CG2-CG2 3.47Å; I191-V221 VanDerWaalsContact CG2-CG2 3.47Å; I196-V221 PolarHBondContact O-N 2.93Å; S197-V221 WeakPolarHBondContact O-CA 3.45Å; V199-V221 HydrophobicContact CG2-CG2 4.38Å; I210-V221 HydrophobicContact CG2-CG1 4.34Å; I210-V221 HydrophobicContact CG2-CG2 4.25Å; I214-V221 HydrophobicContact CD1-CB 4.41Å; I214-V221 HydrophobicContact CG2-CG2 4.25Å; V221-I224 HydrophobicContact CG1-CD1 4.46Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; V221-V243 HydrophobicContact CG1-CG1 4.33Å
222	K	94.4	Very high	85.8	Confident	132 Å²	132	61.3 Å²	61.3	57%	0.574	36%	0.355	S	S	*	.			trans	-115.9	-31.7	177.1	-61	177.3	-174.8	170.3	0	112	S197 V243 E244	S197-K222 PolarHBondContact O-N 3.29Å; K222-V243 WeakPolarHBondContact O-CA 3.43Å; K222-E244 PolarHBondContact O-N 3.07Å
223	T	96.9	Very high	86	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.049	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.7	-175.6	-55.6	0	0	0	0	110.9	S197 T198 V199 V225 E244 L246	S197-T223 PolarHBondContact O-N 3.34Å; S197-T223 VanDerWaalsContact O-N 3.1Å; T198-T223 VanDerWaalsContact CA-O 3.31Å; T198-T223 WeakPolarHBondContact CA-O 3.37Å; T198-T223 HydrophobicContact CG2-CG2 4.47Å; V199-T223 PolarHBondContact N-O 2.99Å; T223-V225 HydrophobicContact CG2-CG2 4.1Å; T223-E244 CarbonylContact C-O 3.56Å; T223-E244 WeakPolarHBondContact CA-O 3.25Å; T223-L246 HydrophobicContact CG2-CD1 4.19Å
224	I	97.9	Very high	86.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.1	169.1	-62.5	172.3	0	0	0	108	V199 C201 A207 I210 L211 V221 L226 V243 E244 I245 L246	V199-I224 CarbonylContact O-C 3.58Å; V199-I224 WeakPolarHBondContact O-CA 3.4Å; C201-I224 VanDerWaalsContact SG-CG2 3.53Å; A207-I224 HydrophobicContact CB-CD1 4.44Å; A207-I224 HydrophobicContact CB-CG2 3.96Å; I210-I224 HydrophobicContact CB-CD1 4.12Å; I210-I224 HydrophobicContact CD1-CD1 4.39Å; I210-I224 HydrophobicContact CG2-CD1 3.78Å; I210-I224 HydrophobicContact CG2-CG1 4.45Å; L211-I224 HydrophobicContact CD2-CD1 3.69Å; V221-I224 HydrophobicContact CG1-CD1 4.46Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; I224-L226 HydrophobicContact CG2-CG 4.36Å; I224-V243 HydrophobicContact CB-CG1 4.43Å; I224-V243 HydrophobicContact CD1-CG1 3.82Å; I224-V243 HydrophobicContact CG1-CG1 3.78Å; I224-E244 PolarHBondContact N-O 3.41Å; I224-I245 HydrophobicContact CB-CG1 4.2Å; I224-I245 WeakPolarHBondContact O-CA 3.35Å; I224-L246 PolarHBondContact O-N 2.75Å
225	V	98.6	Very high	87.1	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.4	177.9	-176	0	0	0	0	108.6	T198 V199 I200 C201 T223 L246 L248 F251	T198-V225 HydrophobicContact CG2-CG2 4.35Å; V199-V225 PolarHBondContact O-N 3.31Å; I200-V225 CarbonylContact C-O 3.51Å; I200-V225 WeakPolarHBondContact CA-O 3.37Å; I200-V225 HydrophobicContact CB-CB 4.48Å; I200-V225 HydrophobicContact CG1-CB 4.17Å; I200-V225 HydrophobicContact CG1-CG2 4.5Å; I200-V225 HydrophobicContact CG2-CB 4.32Å; I200-V225 HydrophobicContact CG2-CG1 4.45Å; C201-V225 PolarHBondContact N-O 3.3Å; T223-V225 HydrophobicContact CG2-CG2 4.1Å; V225-L246 CarbonylContact C-O 3.59Å; V225-L246 WeakPolarHBondContact CA-O 3.46Å; V225-L248 HydrophobicContact CG1-CB 4.24Å; V225-L248 HydrophobicContact CG1-CD1 3.92Å; V225-F251 HydrophobicContact CG1-CB 3.79Å; V225-F251 HydrophobicContact CG1-CD1 4.3Å; V225-F251 HydrophobicContact CG1-CG 4Å; V225-F251 HydrophobicContact CG2-CB 4.39Å; V225-F251 HydrophobicContact CG2-CD1 4.19Å; V225-F251 HydrophobicContact CG2-CD2 3.7Å; V225-F251 HydrophobicContact CG2-CE1 4.39Å; V225-F251 HydrophobicContact CG2-CE2 3.93Å; V225-F251 HydrophobicContact CG2-CG 3.84Å; V225-F251 HydrophobicContact CG2-CZ 4.27Å
226	L	98.2	Very high	88.3	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.4	-176.5	-84.8	167.8	0	0	0	112.2	C201 V203 A207 I224 F230 L234 I245 L246 S247 L248	C201-L226 CarbonylContact O-C 3.54Å; C201-L226 WeakPolarHBondContact O-CA 3.33Å; C201-L226 WeakPolarHBondContact SG-CD2 3.28Å; V203-L226 VanDerWaalsContact C-CD2 3.48Å; V203-L226 WeakPolarHBondContact O-CD2 3.19Å; A207-L226 HydrophobicContact CB-CD1 4.04Å; A207-L226 HydrophobicContact CB-CD2 4.18Å; A207-L226 HydrophobicContact CB-CG 4.37Å; I224-L226 HydrophobicContact CG2-CG 4.36Å; L226-F230 HydrophobicContact CB-CD1 3.63Å; L226-F230 HydrophobicContact CB-CE1 3.89Å; L226-F230 HydrophobicContact CD1-CB 3.74Å; L226-F230 HydrophobicContact CD1-CD1 3.49Å; L226-F230 VanDerWaalsContact CD1-CD1 3.49Å; L226-F230 HydrophobicContact CD1-CE1 4.26Å; L226-F230 HydrophobicContact CD1-CG 3.71Å; L226-F230 HydrophobicContact CG-CD1 4.2Å; L226-L234 HydrophobicContact CD1-CD2 3.93Å; L226-I245 HydrophobicContact CD1-CG2 3.78Å; L226-L246 PolarHBondContact N-O 2.71Å; L226-S247 CarbonylContact O-C 3.54Å; L226-S247 WeakPolarHBondContact O-CA 3.4Å; L226-L248 PolarHBondContact O-N 3.14Å
227	M	97.5	Very high	89.8	Confident	29 Å²	29	65 Å²	65	14%	0.143	34%	0.344	C	S	.	.	S	Bend	trans	-76.9	-32.1	177.8	-51.8	175.2	-179.3	0	0	112.2	R158 E160 I200 C201 D202 L248	R158-M227 VanDerWaalsContact CD-SD 3.55Å; R158-M227 HydrophobicContact CG-SD 4.2Å; E160-M227 HydrophobicContact CB-CE 3.92Å; E160-M227 HydrophobicContact CB-CG 4.22Å; E160-M227 HydrophobicContact CB-SD 3.51Å; E160-M227 VanDerWaalsContact CB-SD 3.51Å; E160-M227 HydrophobicContact CG-SD 4.33Å; I200-M227 HydrophobicContact CG2-CE 3.66Å; C201-M227 WeakPolarHBondContact O-CG 3.45Å; C201-M227 PolarHBondContact O-N 3.01Å; D202-M227 HydrophobicContact CB-SD 4.1Å; M227-L248 HydrophobicContact CG-CD2 4.18Å
228	E	95.9	Very high	91.7	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	32%	0.317	S	S	.	.	S	Bend	trans	-103.1	171	178.5	-61.8	-175.6	-168.5	0	0	112.6	R158 D202 F230	R158-E228 IonicContact CZ-OE1 3.47Å; R158-E228 IonicContact NH1-OE1 2.99Å; R158-E228 PolarHBondContact NH1-OE1 3.21Å; R158-E228 IonicContact NH2-OE1 3.8Å; D202-E228 VanDerWaalsContact O-CB 3.22Å; D202-E228 WeakPolarHBondContact O-CB 3.34Å; D202-E228 WeakPolarHBondContact O-CG 3.23Å; D202-E228 PolarHBondContact O-N 3.4Å; E228-F230 WeakPolarHBondContact O-CD1 3.19Å
229	A	94.9	Very high	93.5	Very high	97 Å²	97	59.3 Å²	59.3	80%	0.802	31%	0.31	S	S	*	.			trans	-65.4	147.5	178.6	0	0	0	0	0	111.7
230	F	96.1	Very high	94.7	Very high	58 Å²	58	60.7 Å²	60.7	25%	0.254	32%	0.319	S	S	.	.			trans	-139	159.5	178.5	51.4	-91.8	0	0	0	111.4	A204 L226 E228 L234 V235 I245	A204-F230 HydrophobicContact CB-CB 4.4Å; L226-F230 HydrophobicContact CB-CD1 3.63Å; L226-F230 HydrophobicContact CB-CE1 3.89Å; L226-F230 HydrophobicContact CD1-CB 3.74Å; L226-F230 HydrophobicContact CD1-CD1 3.49Å; L226-F230 VanDerWaalsContact CD1-CD1 3.49Å; L226-F230 HydrophobicContact CD1-CE1 4.26Å; L226-F230 HydrophobicContact CD1-CG 3.71Å; L226-F230 HydrophobicContact CG-CD1 4.2Å; E228-F230 WeakPolarHBondContact O-CD1 3.19Å; F230-L234 HydrophobicContact CB-CD2 4.07Å; F230-V235 HydrophobicContact CD2-CG2 3.67Å; F230-V235 HydrophobicContact CE2-CG2 3.58Å; F230-I245 HydrophobicContact CD1-CG2 4.31Å; F230-I245 HydrophobicContact CD2-CG2 3.97Å; F230-I245 HydrophobicContact CE1-CG2 4.08Å; F230-I245 HydrophobicContact CE2-CG2 3.72Å; F230-I245 HydrophobicContact CG-CG2 4.26Å; F230-I245 HydrophobicContact CZ-CG2 3.78Å
231	D	95.1	Very high	94.9	Very high	63 Å²	63	60.2 Å²	60.2	34%	0.337	32%	0.317	S	S	.	.			trans	-93.2	164.3	-177.9	58.1	65.3	0	0	0	113.1	R208 E233 L234 V235	R208-D231 IonicContact CZ-OD2 3.09Å; R208-D231 IonicContact NH2-OD1 3.98Å; R208-D231 IonicContact NH2-OD2 2.66Å; R208-D231 PolarHBondContact NH2-OD2 2.95Å; D231-E233 PolarHBondContact O-N 3.48Å; D231-E233 WeakPolarHBondContact OD1-CB 3.43Å; D231-E233 PolarHBondContact OD1-N 3.02Å; D231-L234 PolarHBondContact O-N 2.81Å; D231-L234 WeakPolarHBondContact OD1-CB 3.42Å; D231-L234 PolarHBondContact OD1-N 3.06Å; D231-V235 PolarHBondContact O-N 3.2Å
232	K	94.2	Very high	94.7	Very high	185 Å²	185	62.6 Å²	62.6	80%	0.804	34%	0.342	S	S	*	.	H	α-helix	trans	-68.8	-23.7	-179.9	-66.2	-176.1	178.4	-178.7	0	113.1	V235 S236	K232-V235 PolarHBondContact O-N 3Å; K232-S236 WeakPolarHBondContact O-CB 3.43Å; K232-S236 PolarHBondContact O-N 2.79Å; K232-S236 PolarHBondContact O-OG 3.31Å
233	E	94.9	Very high	94.7	Very high	148 Å²	148	56.6 Å²	56.6	69%	0.692	32%	0.316	S	S	*	.	H	α-helix	trans	-67.4	-46	178.8	-176	-173.1	162.8	0	0	109.8	D231 V235 S236 R237	D231-E233 PolarHBondContact O-N 3.48Å; D231-E233 WeakPolarHBondContact OD1-CB 3.43Å; D231-E233 PolarHBondContact OD1-N 3.02Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 3.38Å; E233-S236 PolarHBondContact O-N 3.28Å; E233-R237 WeakPolarHBondContact O-CB 3.44Å; E233-R237 PolarHBondContact O-N 2.79Å
234	L	95.3	Very high	94.7	Very high	2 Å²	2	60 Å²	60	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-44.3	175	-179.3	59.2	0	0	0	111.9	A204 A207 R208 L211 L226 F230 D231 S236 R237 A238 I245	A204-L234 HydrophobicContact CB-CD2 3.82Å; A207-L234 HydrophobicContact CB-CD1 4.47Å; A207-L234 HydrophobicContact CB-CD2 3.99Å; R208-L234 HydrophobicContact CG-CD1 3.66Å; L211-L234 HydrophobicContact CD1-CD1 3.7Å; L226-L234 HydrophobicContact CD1-CD2 3.93Å; F230-L234 HydrophobicContact CB-CD2 4.07Å; D231-L234 PolarHBondContact O-N 2.81Å; D231-L234 WeakPolarHBondContact OD1-CB 3.42Å; D231-L234 PolarHBondContact OD1-N 3.06Å; L234-S236 PolarHBondContact O-N 2.92Å; L234-R237 PolarHBondContact O-N 3.43Å; L234-A238 WeakPolarHBondContact O-CB 3.46Å; L234-A238 PolarHBondContact O-N 3.07Å; L234-I245 HydrophobicContact CD1-CD1 4.09Å; L234-I245 HydrophobicContact CD2-CD1 4.05Å; L234-I245 HydrophobicContact CG-CD1 3.57Å
235	V	95.4	Very high	94.7	Very high	55 Å²	55	60.6 Å²	60.6	33%	0.333	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-45.4	176.7	178.9	0	0	0	0	111.2	F230 D231 K232 E233 R237 A238 A239 I245	F230-V235 HydrophobicContact CD2-CG2 3.67Å; F230-V235 HydrophobicContact CE2-CG2 3.58Å; D231-V235 PolarHBondContact O-N 3.2Å; K232-V235 PolarHBondContact O-N 3Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 3.38Å; V235-R237 VanDerWaalsContact C-N 3.34Å; V235-R237 PolarHBondContact O-N 3.48Å; V235-A238 PolarHBondContact O-N 2.76Å; V235-A239 WeakPolarHBondContact O-CB 3.21Å; V235-A239 PolarHBondContact O-N 3.06Å; V235-I245 HydrophobicContact CG2-CB 4.48Å
236	S	94.6	Very high	94.6	Very high	65 Å²	65	61.4 Å²	61.4	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-41.7	179.2	-57.6	0	0	0	0	111.5	K232 E233 L234 A239 Q240	K232-S236 WeakPolarHBondContact O-CB 3.43Å; K232-S236 PolarHBondContact O-N 2.79Å; K232-S236 PolarHBondContact O-OG 3.31Å; E233-S236 PolarHBondContact O-N 3.28Å; L234-S236 PolarHBondContact O-N 2.92Å; S236-A239 PolarHBondContact O-N 3.42Å; S236-Q240 WeakPolarHBondContact O-CG 3.28Å; S236-Q240 PolarHBondContact O-N 3.22Å; S236-Q240 VanDerWaalsContact O-N 3.1Å
237	R	93.3	Very high	94.6	Very high	79 Å²	79	62.7 Å²	62.7	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-42.1	176	-176.1	-178.8	174.6	-158.3	-8.1	112.3	L211 D212 E233 L234 V235 Q240 S241	L211-R237 HydrophobicContact CD1-CB 4.43Å; L211-R237 HydrophobicContact CD1-CG 4.05Å; D212-R237 IonicContact OD1-CZ 3.7Å; D212-R237 IonicContact OD1-NH1 3.98Å; D212-R237 IonicContact OD1-NH2 3.01Å; D212-R237 PolarHBondContact OD1-NH2 2.54Å; E233-R237 WeakPolarHBondContact O-CB 3.44Å; E233-R237 PolarHBondContact O-N 2.79Å; L234-R237 PolarHBondContact O-N 3.43Å; V235-R237 VanDerWaalsContact C-N 3.34Å; V235-R237 PolarHBondContact O-N 3.48Å; R237-Q240 PolarHBondContact O-N 2.87Å; R237-S241 PolarHBondContact O-N 2.8Å; R237-S241 PolarHBondContact O-OG 3.36Å
238	A	93.2	Very high	94.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-44.4	175.9	0	0	0	0	0	111.3	L211 L234 V235 Q240 S241 G242 V243 I245	L211-A238 HydrophobicContact CD1-CB 4.05Å; L211-A238 HydrophobicContact CD2-CB 4.26Å; L234-A238 WeakPolarHBondContact O-CB 3.46Å; L234-A238 PolarHBondContact O-N 3.07Å; V235-A238 PolarHBondContact O-N 2.76Å; A238-Q240 VanDerWaalsContact C-N 3.34Å; A238-Q240 PolarHBondContact O-N 2.85Å; A238-S241 CarbonylContact O-C 3.55Å; A238-S241 VanDerWaalsContact O-CA 3.3Å; A238-S241 WeakPolarHBondContact O-CA 3.15Å; A238-S241 WeakPolarHBondContact O-CB 3.22Å; A238-S241 PolarHBondContact O-N 2.93Å; A238-G242 PolarHBondContact O-N 3Å; A238-V243 CarbonylContact C-O 3.54Å; A238-V243 HydrophobicContact CB-CB 4.18Å; A238-V243 HydrophobicContact CB-CG1 4.45Å; A238-V243 WeakPolarHBondContact CB-O 3.37Å; A238-V243 PolarHBondContact O-N 3.49Å; A238-I245 HydrophobicContact CB-CD1 3.45Å; A238-I245 VanDerWaalsContact CB-CD1 3.45Å; A238-I245 HydrophobicContact CB-CG1 3.63Å
239	A	92.8	Very high	94.8	Very high	66 Å²	66	65.6 Å²	65.6	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-40.4	178.1	0	0	0	0	0	112.4	V235 S236 S241 G242 V243	V235-A239 WeakPolarHBondContact O-CB 3.21Å; V235-A239 PolarHBondContact O-N 3.06Å; S236-A239 PolarHBondContact O-N 3.42Å; A239-S241 PolarHBondContact O-N 3.36Å; A239-G242 PolarHBondContact O-N 3.22Å; A239-V243 PolarHBondContact N-O 2.96Å
240	Q	90.9	Very high	94.9	Very high	160 Å²	160	65.6 Å²	65.6	75%	0.748	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-30.3	172.5	-70	170	10.5	0	0	112.4	S236 R237 A238 G242	S236-Q240 WeakPolarHBondContact O-CG 3.28Å; S236-Q240 PolarHBondContact O-N 3.22Å; S236-Q240 VanDerWaalsContact O-N 3.1Å; R237-Q240 PolarHBondContact O-N 2.87Å; A238-Q240 VanDerWaalsContact C-N 3.34Å; A238-Q240 PolarHBondContact O-N 2.85Å; Q240-G242 VanDerWaalsContact C-N 3.32Å
241	S	89	Confident	95.1	Very high	24 Å²	24	62.8 Å²	62.8	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-84.5	-4.8	175.3	-55.2	0	0	0	0	113	K219 R237 A238 A239 V243	K219-S241 WeakPolarHBondContact CD-O 3.41Å; K219-S241 VanDerWaalsContact CE-O 3.27Å; K219-S241 WeakPolarHBondContact CE-O 3.4Å; K219-S241 PolarHBondContact NZ-O 3.24Å; R237-S241 PolarHBondContact O-N 2.8Å; R237-S241 PolarHBondContact O-OG 3.36Å; A238-S241 CarbonylContact O-C 3.55Å; A238-S241 VanDerWaalsContact O-CA 3.3Å; A238-S241 WeakPolarHBondContact O-CA 3.15Å; A238-S241 WeakPolarHBondContact O-CB 3.22Å; A238-S241 PolarHBondContact O-N 2.93Å; A239-S241 PolarHBondContact O-N 3.36Å; S241-V243 VanDerWaalsContact C-N 3.35Å
242	G	90.5	Very high	95.2	Very high	53 Å²	53	61.1 Å²	61.1	55%	0.546	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	22.8	-174.9	0	0	0	0	0	113.5	A238 A239 Q240	A238-G242 PolarHBondContact O-N 3Å; A239-G242 PolarHBondContact O-N 3.22Å; Q240-G242 VanDerWaalsContact C-N 3.32Å
243	V	94.6	Very high	95.4	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	30%	0.301	C	S	.	.			trans	-109.1	133.3	178.5	179.2	0	0	0	0	109.5	L211 I214 V221 K222 I224 A238 A239 S241	L211-V243 HydrophobicContact CD2-CB 4.35Å; L211-V243 HydrophobicContact CD2-CG1 4.36Å; L211-V243 HydrophobicContact CD2-CG2 4.41Å; I214-V243 HydrophobicContact CD1-CG2 3.49Å; I214-V243 VanDerWaalsContact CD1-CG2 3.49Å; V221-V243 HydrophobicContact CG1-CG1 4.33Å; K222-V243 WeakPolarHBondContact O-CA 3.43Å; I224-V243 HydrophobicContact CB-CG1 4.43Å; I224-V243 HydrophobicContact CD1-CG1 3.82Å; I224-V243 HydrophobicContact CG1-CG1 3.78Å; A238-V243 CarbonylContact C-O 3.54Å; A238-V243 HydrophobicContact CB-CB 4.18Å; A238-V243 HydrophobicContact CB-CG1 4.45Å; A238-V243 WeakPolarHBondContact CB-O 3.37Å; A238-V243 PolarHBondContact O-N 3.49Å; A239-V243 PolarHBondContact N-O 2.96Å; S241-V243 VanDerWaalsContact C-N 3.35Å
244	E	96.1	Very high	95.6	Very high	79 Å²	79	49.4 Å²	49.4	37%	0.369	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.1	171.9	-172.2	-179.1	175.9	0	0	110.3	R141 K222 T223 I224 L246	R141-E244 IonicContact CZ-OE1 2.66Å; R141-E244 IonicContact CZ-OE2 3.02Å; R141-E244 IonicContact NH1-OE1 2.69Å; R141-E244 IonicContact NH1-OE2 3.41Å; R141-E244 PolarHBondContact NH1-OE2 3.09Å; R141-E244 IonicContact NH2-OE1 3.27Å; R141-E244 PolarHBondContact NH2-OE1 3.16Å; R141-E244 IonicContact NH2-OE2 2.73Å; R141-E244 PolarHBondContact NH2-OE2 3.15Å; K222-E244 PolarHBondContact O-N 3.07Å; T223-E244 CarbonylContact C-O 3.56Å; T223-E244 WeakPolarHBondContact CA-O 3.25Å; I224-E244 PolarHBondContact N-O 3.41Å; E244-L246 HydrophobicContact CG-CD2 4.37Å; E244-L246 HydrophobicContact CG-CG 4.23Å
245	I	97.1	Very high	95.8	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.9	172.3	-67.6	-178.3	0	0	0	109	I224 L226 F230 L234 V235 A238	I224-I245 HydrophobicContact CB-CG1 4.2Å; I224-I245 WeakPolarHBondContact O-CA 3.35Å; L226-I245 HydrophobicContact CD1-CG2 3.78Å; F230-I245 HydrophobicContact CD1-CG2 4.31Å; F230-I245 HydrophobicContact CD2-CG2 3.97Å; F230-I245 HydrophobicContact CE1-CG2 4.08Å; F230-I245 HydrophobicContact CE2-CG2 3.72Å; F230-I245 HydrophobicContact CG-CG2 4.26Å; F230-I245 HydrophobicContact CZ-CG2 3.78Å; L234-I245 HydrophobicContact CD1-CD1 4.09Å; L234-I245 HydrophobicContact CD2-CD1 4.05Å; L234-I245 HydrophobicContact CG-CD1 3.57Å; V235-I245 HydrophobicContact CG2-CB 4.48Å; A238-I245 HydrophobicContact CB-CD1 3.45Å; A238-I245 VanDerWaalsContact CB-CD1 3.45Å; A238-I245 HydrophobicContact CB-CG1 3.63Å
246	L	97.8	Very high	95.9	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.4	176	-62.5	166.5	0	0	0	109.6	R141 T223 I224 V225 L226 E244 F251 I254	R141-L246 VanDerWaalsContact NH2-CD1 3.32Å; T223-L246 HydrophobicContact CG2-CD1 4.19Å; I224-L246 PolarHBondContact O-N 2.75Å; V225-L246 CarbonylContact C-O 3.59Å; V225-L246 WeakPolarHBondContact CA-O 3.46Å; L226-L246 PolarHBondContact N-O 2.71Å; E244-L246 HydrophobicContact CG-CD2 4.37Å; E244-L246 HydrophobicContact CG-CG 4.23Å; L246-F251 HydrophobicContact CD1-CD2 3.84Å; L246-F251 HydrophobicContact CD1-CE2 4.48Å; L246-I254 HydrophobicContact CD1-CD1 4.12Å
247	S	98.4	Very high	96.1	Very high	29 Å²	29	53.2 Å²	53.2	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	153.1	163.1	68.2	0	0	0	0	110.6	L226 K249 E250 F251	L226-S247 CarbonylContact O-C 3.54Å; L226-S247 WeakPolarHBondContact O-CA 3.4Å; S247-K249 PolarHBondContact O-N 3.49Å; S247-E250 VanDerWaalsContact CB-OE2 3.31Å; S247-E250 WeakPolarHBondContact CB-OE2 3.38Å; S247-E250 PolarHBondContact N-OE2 2.89Å; S247-E250 PolarHBondContact O-N 3.14Å; S247-E250 VanDerWaalsContact O-N 3.16Å; S247-E250 WeakPolarHBondContact OG-CB 3.35Å; S247-E250 VanDerWaalsContact OG-CG 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.37Å; S247-E250 PolarHBondContact OG-N 3.19Å; S247-E250 PolarHBondContact OG-OE2 2.86Å; S247-F251 PolarHBondContact O-N 3.3Å
248	L	98.4	Very high	96.3	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-34.8	175.4	-176.4	65.6	0	0	0	111.7	I134 E160 V225 L226 M227 F251 E252	I134-L248 HydrophobicContact CD1-CD1 3.81Å; I134-L248 HydrophobicContact CG1-CD1 4.15Å; E160-L248 HydrophobicContact CB-CD2 3.91Å; E160-L248 HydrophobicContact CG-CD2 3.57Å; V225-L248 HydrophobicContact CG1-CB 4.24Å; V225-L248 HydrophobicContact CG1-CD1 3.92Å; L226-L248 PolarHBondContact O-N 3.14Å; M227-L248 HydrophobicContact CG-CD2 4.18Å; L248-F251 PolarHBondContact O-N 2.88Å; L248-E252 WeakPolarHBondContact O-CB 3.48Å; L248-E252 WeakPolarHBondContact O-CG 3.45Å; L248-E252 PolarHBondContact O-N 3.46Å
249	K	98.1	Very high	96.5	Very high	172 Å²	172	56.4 Å²	56.4	75%	0.748	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-44.2	177.2	-68.3	-175.6	178	-177.2	0	112.5	S247 F251 E252 A253	S247-K249 PolarHBondContact O-N 3.49Å; K249-F251 VanDerWaalsContact C-N 3.28Å; K249-F251 PolarHBondContact O-N 3.44Å; K249-E252 PolarHBondContact O-N 3.45Å; K249-A253 WeakPolarHBondContact O-CB 3.11Å; K249-A253 PolarHBondContact O-N 3.33Å
250	E	98.3	Very high	96.7	Very high	96 Å²	96	57.8 Å²	57.8	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-39.1	174.7	-71.8	159.3	145.7	0	0	110.8	S247 A253 I254	S247-E250 VanDerWaalsContact CB-OE2 3.31Å; S247-E250 WeakPolarHBondContact CB-OE2 3.38Å; S247-E250 PolarHBondContact N-OE2 2.89Å; S247-E250 PolarHBondContact O-N 3.14Å; S247-E250 VanDerWaalsContact O-N 3.16Å; S247-E250 WeakPolarHBondContact OG-CB 3.35Å; S247-E250 VanDerWaalsContact OG-CG 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.37Å; S247-E250 PolarHBondContact OG-N 3.19Å; S247-E250 PolarHBondContact OG-OE2 2.86Å; E250-A253 PolarHBondContact O-N 2.84Å; E250-I254 WeakPolarHBondContact O-CG1 3.24Å; E250-I254 PolarHBondContact O-N 3.4Å
251	F	98.4	Very high	97	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-44	177	-160.9	-107.5	0	0	0	112.3	I134 A137 L138 R141 V225 L246 S247 L248 K249 A253 I254 G255	I134-F251 HydrophobicContact CG2-CD1 4.19Å; I134-F251 HydrophobicContact CG2-CE1 3.97Å; I134-F251 WeakPolarHBondContact O-CE1 3.41Å; A137-F251 HydrophobicContact CB-CD1 3.75Å; A137-F251 HydrophobicContact CB-CD2 4.1Å; A137-F251 HydrophobicContact CB-CE1 3.51Å; A137-F251 HydrophobicContact CB-CE2 3.89Å; A137-F251 HydrophobicContact CB-CG 4.05Å; A137-F251 HydrophobicContact CB-CZ 3.58Å; A137-F251 WeakPolarHBondContact CB-O 3.4Å; L138-F251 HydrophobicContact CD2-CE1 4.21Å; L138-F251 HydrophobicContact CD2-CZ 3.87Å; L138-F251 HydrophobicContact CG-CE1 3.97Å; L138-F251 HydrophobicContact CG-CZ 3.95Å; R141-F251 HydrophobicContact CG-CE2 4.1Å; V225-F251 HydrophobicContact CG1-CB 3.79Å; V225-F251 HydrophobicContact CG1-CD1 4.3Å; V225-F251 HydrophobicContact CG1-CG 4Å; V225-F251 HydrophobicContact CG2-CB 4.39Å; V225-F251 HydrophobicContact CG2-CD1 4.19Å; V225-F251 HydrophobicContact CG2-CD2 3.7Å; V225-F251 HydrophobicContact CG2-CE1 4.39Å; V225-F251 HydrophobicContact CG2-CE2 3.93Å; V225-F251 HydrophobicContact CG2-CG 3.84Å; V225-F251 HydrophobicContact CG2-CZ 4.27Å; L246-F251 HydrophobicContact CD1-CD2 3.84Å; L246-F251 HydrophobicContact CD1-CE2 4.48Å; S247-F251 PolarHBondContact O-N 3.3Å; L248-F251 PolarHBondContact O-N 2.88Å; K249-F251 VanDerWaalsContact C-N 3.28Å; K249-F251 PolarHBondContact O-N 3.44Å; F251-A253 VanDerWaalsContact C-N 3.34Å; F251-A253 PolarHBondContact O-N 3.16Å; F251-I254 PolarHBondContact O-N 3.05Å; F251-G255 PolarHBondContact O-N 3.19Å; F251-G255 VanDerWaalsContact O-N 3.11Å
252	E	98.6	Very high	97.4	Very high	27 Å²	27	61.8 Å²	61.8	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-43.2	172	-76.5	174.5	170.2	0	0	111.4	R130 H133 I134 L248 K249 I254 G255 E256	R130-E252 IonicContact CZ-OE1 2.66Å; R130-E252 VanDerWaalsContact CZ-OE1 3.28Å; R130-E252 IonicContact NE-OE1 3.04Å; R130-E252 PolarHBondContact NE-OE1 2.83Å; R130-E252 IonicContact NE-OE2 3.65Å; R130-E252 IonicContact NH2-OE1 3.88Å; R130-E252 PolarHBondContact NH2-OE1 2.79Å; R130-E252 IonicContact NH2-OE2 3.26Å; H133-E252 HydrophobicContact CB-CB 4.17Å; H133-E252 HydrophobicContact CB-CG 4.3Å; I134-E252 HydrophobicContact CD1-CG 4.41Å; I134-E252 HydrophobicContact CG1-CG 3.71Å; L248-E252 WeakPolarHBondContact O-CB 3.48Å; L248-E252 WeakPolarHBondContact O-CG 3.45Å; L248-E252 PolarHBondContact O-N 3.46Å; K249-E252 PolarHBondContact O-N 3.45Å; E252-I254 PolarHBondContact O-N 2.82Å; E252-G255 CarbonylContact O-C 3.59Å; E252-G255 WeakPolarHBondContact O-CA 3.27Å; E252-G255 PolarHBondContact O-N 2.97Å; E252-G255 VanDerWaalsContact O-N 3.08Å; E252-E256 PolarHBondContact O-N 2.89Å
253	A	98.6	Very high	97.7	Very high	50 Å²	50	63.3 Å²	63.3	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-37.9	177.9	0	0	0	0	0	113.1	K249 E250 F251 G255 E256 A257	K249-A253 WeakPolarHBondContact O-CB 3.11Å; K249-A253 PolarHBondContact O-N 3.33Å; E250-A253 PolarHBondContact O-N 2.84Å; F251-A253 VanDerWaalsContact C-N 3.34Å; F251-A253 PolarHBondContact O-N 3.16Å; A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.49Å; A253-E256 PolarHBondContact O-N 3.29Å; A253-A257 WeakPolarHBondContact O-CB 3.07Å; A253-A257 PolarHBondContact O-N 3.45Å
254	I	98.5	Very high	97.7	Very high	38 Å²	38	66 Å²	66	20%	0.195	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-42.9	171.3	-69.9	164.9	0	0	0	110	A137 L246 E250 F251 E252 A257 N258	A137-I254 HydrophobicContact CB-CB 4.38Å; A137-I254 HydrophobicContact CB-CG2 4.19Å; L246-I254 HydrophobicContact CD1-CD1 4.12Å; E250-I254 WeakPolarHBondContact O-CG1 3.24Å; E250-I254 PolarHBondContact O-N 3.4Å; F251-I254 PolarHBondContact O-N 3.05Å; E252-I254 PolarHBondContact O-N 2.82Å; I254-A257 PolarHBondContact O-N 3.24Å; I254-N258 WeakPolarHBondContact O-CB 3.3Å; I254-N258 PolarHBondContact O-N 3.44Å; I254-N258 VanDerWaalsContact O-N 3.12Å; I254-N258 PolarHBondContact O-ND2 2.93Å
255	G	98.4	Very high	97.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-44.9	178.5	0	0	0	0	0	113.8	H133 S136 F251 E252 A253 A257 N258 L259	H133-G255 WeakPolarHBondContact O-CA 3.42Å; S136-G255 WeakPolarHBondContact CB-O 3.3Å; F251-G255 PolarHBondContact O-N 3.19Å; F251-G255 VanDerWaalsContact O-N 3.11Å; E252-G255 CarbonylContact O-C 3.59Å; E252-G255 WeakPolarHBondContact O-CA 3.27Å; E252-G255 PolarHBondContact O-N 2.97Å; E252-G255 VanDerWaalsContact O-N 3.08Å; A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.49Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 3.3Å; G255-N258 CarbonylContact O-C 3.26Å; G255-N258 PolarHBondContact O-N 3.47Å; G255-N258 VanDerWaalsContact O-N 3.11Å; G255-L259 WeakPolarHBondContact O-CA 3.44Å; G255-L259 PolarHBondContact O-N 2.72Å
256	E	98.3	Very high	97.8	Very high	120 Å²	120	69.1 Å²	69.1	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-42.3	175.2	-175.2	177.5	-166.4	0	0	111.4	E252 A253 N258 L259	E252-E256 PolarHBondContact O-N 2.89Å; A253-E256 PolarHBondContact O-N 3.29Å; E256-N258 PolarHBondContact O-N 3.14Å; E256-L259 WeakPolarHBondContact O-CG 3.46Å
257	A	98.4	Very high	97.8	Very high	82 Å²	82	70.4 Å²	70.4	68%	0.678	37%	0.365	S	S	*	.	H	α-helix	trans	-69.6	-20.3	176	0	0	0	0	0	113.6	A253 I254 G255	A253-A257 WeakPolarHBondContact O-CB 3.07Å; A253-A257 PolarHBondContact O-N 3.45Å; I254-A257 PolarHBondContact O-N 3.24Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 3.3Å
258	N	97.9	Very high	97.8	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.294	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	35.3	-175	-65	-87.1	0	0	0	112.6	H140 I254 G255 E256 Q260	H140-N258 HydrophobicContact CB-CB 4.22Å; H140-N258 PolarHBondContact CE1-OD1 2.93Å; H140-N258 PolarHBondContact ND1-OD1 3.23Å; I254-N258 WeakPolarHBondContact O-CB 3.3Å; I254-N258 PolarHBondContact O-N 3.44Å; I254-N258 VanDerWaalsContact O-N 3.12Å; I254-N258 PolarHBondContact O-ND2 2.93Å; G255-N258 CarbonylContact O-C 3.26Å; G255-N258 PolarHBondContact O-N 3.47Å; G255-N258 VanDerWaalsContact O-N 3.11Å; E256-N258 PolarHBondContact O-N 3.14Å; N258-Q260 PolarHBondContact O-N 3.2Å; N258-Q260 PolarHBondContact O-NE2 3.16Å; N258-Q260 VanDerWaalsContact O-NE2 3.08Å
259	L	97.9	Very high	97.8	Very high	91 Å²	91	76.3 Å²	76.3	48%	0.476	39%	0.394	S	S	.	.			trans	-49.9	125.7	-174.6	-83.7	171.6	0	0	0	112.6	G255 E256	G255-L259 WeakPolarHBondContact O-CA 3.44Å; G255-L259 PolarHBondContact O-N 2.72Å; E256-L259 WeakPolarHBondContact O-CG 3.46Å
260	Q	96.6	Very high	97.8	Very high	95 Å²	95	69.2 Å²	69.2	44%	0.444	36%	0.364	S	S	.	.			trans	-107.5	153	175.4	-62.6	-56	-46.9	0	0	110.3	S136 L139 Y171 N258	S136-Q260 PolarHBondContact OG-N 3.21Å; L139-Q260 HydrophobicContact CB-CG 4.17Å; L139-Q260 HydrophobicContact CD1-CB 3.68Å; L139-Q260 HydrophobicContact CD1-CG 3.78Å; Y171-Q260 HydrophobicContact CE1-CB 3.96Å; Y171-Q260 PolarHBondContact OH-O 3.11Å; Y171-Q260 VanDerWaalsContact OH-O 3.11Å; N258-Q260 PolarHBondContact O-N 3.2Å; N258-Q260 PolarHBondContact O-NE2 3.16Å; N258-Q260 VanDerWaalsContact O-NE2 3.08Å
261	R	96.8	Very high	97.8	Very high	223 Å²	223	64.6 Å²	64.6	84%	0.842	34%	0.343	S	S	*	.			trans	-70.2	132.9	172.9	-70.3	-173.1	-179.5	-157.8	0.4	109.5	Y171 T263	Y171-R261 WeakPolarHBondContact CE1-O 3.32Å; R261-T263 PolarHBondContact O-N 2.88Å; R261-T263 PolarHBondContact O-OG1 3.04Å
262	P	97.1	Very high	97.8	Very high	44 Å²	44	64.6 Å²	64.6	29%	0.286	34%	0.343	S	S	.	.			trans	-49	138.5	172.2	-31.2	37.4	0	0	0	111.6	Q132 T170	Q132-P262 HydrophobicContact CG-CG 4.35Å; T170-P262 HydrophobicContact CG2-CB 3.78Å; T170-P262 HydrophobicContact CG2-CG 3.98Å
263	T	96.4	Very high	97.7	Very high	85 Å²	85	63.3 Å²	63.3	52%	0.521	34%	0.337	S	S	.	.			trans	-124.9	80.4	175.7	-53	0	0	0	0	107.8	T170 Y171 S172 R261	T170-T263 CarbonylContact O-C 3.59Å; T170-T263 PolarHBondContact O-N 2.84Å; Y171-T263 CarbonylContact C-O 3.54Å; S172-T263 PolarHBondContact N-O 3.26Å; S172-T263 PolarHBondContact OG-O 3.22Å; R261-T263 PolarHBondContact O-N 2.88Å; R261-T263 PolarHBondContact O-OG1 3.04Å
264	P	95.6	Very high	97.5	Very high	62 Å²	62	61 Å²	61	40%	0.403	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-64.6	152.2	-172.3	-24.4	36.4	0	0	0	113.4	Y94 S172	Y94-P264 HydrophobicContact CD1-CB 3.6Å; Y94-P264 HydrophobicContact CD1-CG 3.88Å; Y94-P264 HydrophobicContact CE1-CB 3.75Å; Y94-P264 HydrophobicContact CE1-CG 3.46Å; Y94-P264 VanDerWaalsContact CE1-CG 3.46Å; Y94-P264 HydrophobicContact CG-CB 4.23Å; S172-P264 VanDerWaalsContact OG-C 3.24Å; S172-P264 PolarHBondContact OG-O 2.81Å
265	P	97.5	Very high	97.1	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.052	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-80.5	165.9	-176.4	32.3	-33.8	0	0	0	111	T92 Y169 S172 D269 H290	T92-P265 HydrophobicContact CG2-CG 4.3Å; T92-P265 WeakPolarHBondContact CG2-O 3.42Å; Y169-P265 WeakPolarHBondContact O-CD 3.34Å; S172-P265 VanDerWaalsContact OG-CA 3.23Å; S172-P265 WeakPolarHBondContact OG-CA 3.41Å; P265-D269 HydrophobicContact CB-CB 4.16Å; P265-H290 VanDerWaalsContact CB-CD2 3.49Å; P265-H290 WeakPolarHBondContact CB-CD2 3.34Å; P265-H290 WeakPolarHBondContact CB-NE2 3.11Å; P265-H290 VanDerWaalsContact CG-NE2 3.28Å; P265-H290 WeakPolarHBondContact CG-NE2 3.11Å
266	K	98	Very high	96	Very high	150 Å²	150	60.5 Å²	60.5	65%	0.652	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-95.9	160.3	165.8	-62.2	179.3	-177.6	176.6	0	110.3	N268 D269	K266-N268 PolarHBondContact O-N 2.56Å; K266-N268 VanDerWaalsContact O-N 3.11Å; K266-D269 WeakPolarHBondContact CB-OD2 3.47Å; K266-D269 PolarHBondContact N-OD2 3.18Å; K266-D269 WeakPolarHBondContact O-CB 3.22Å; K266-D269 PolarHBondContact O-N 3.39Å
267	P	98.1	Very high	94.2	Very high	44 Å²	44	57.1 Å²	57.1	29%	0.286	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.3	178.9	-29.5	36.6	0	0	0	114.3	Q91 T92 D269 T289 G291	Q91-P267 HydrophobicContact CB-CG 3.92Å; T92-P267 HydrophobicContact CG2-CG 4.2Å; P267-D269 VanDerWaalsContact C-N 3.31Å; P267-D269 PolarHBondContact O-N 2.91Å; P267-T289 WeakPolarHBondContact O-CB 3.46Å; P267-G291 WeakPolarHBondContact O-CA 3.37Å; P267-G291 PolarHBondContact O-N 2.93Å
268	N	97.6	Very high	92	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.5	-179.3	-71.3	-22.7	0	0	0	114.3	K266 T289 K517	K266-N268 PolarHBondContact O-N 2.56Å; K266-N268 VanDerWaalsContact O-N 3.11Å; N268-T289 WeakPolarHBondContact O-CG2 3.34Å; N268-K517 PolarHBondContact O-NZ 3.39Å
269	D	97.9	Very high	89.3	Confident	38 Å²	38	54.9 Å²	54.9	20%	0.203	29%	0.292	C	S	.	.	S	Bend	trans	-75.6	148.5	178.2	-63	-28.7	0	0	0	110.5	H145 P265 K266 P267 A271 T289 H290	H145-D269 IonicContact CE1-OD1 3.66Å; P265-D269 HydrophobicContact CB-CB 4.16Å; K266-D269 WeakPolarHBondContact CB-OD2 3.47Å; K266-D269 PolarHBondContact N-OD2 3.18Å; K266-D269 WeakPolarHBondContact O-CB 3.22Å; K266-D269 PolarHBondContact O-N 3.39Å; P267-D269 VanDerWaalsContact C-N 3.31Å; P267-D269 PolarHBondContact O-N 2.91Å; D269-A271 PolarHBondContact O-N 2.82Å; D269-T289 CarbonylContact O-C 3.47Å; D269-T289 WeakPolarHBondContact O-CA 3.16Å; D269-T289 VanDerWaalsContact O-CB 3.23Å; D269-T289 WeakPolarHBondContact O-CB 3.28Å; D269-H290 PolarHBondContact O-N 2.75Å
270	L	98.1	Very high	86.9	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.12	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.9	176.1	-69.8	-179.8	0	0	0	109.7	V174 M287 T289 K517	V174-L270 HydrophobicContact CG1-CB 4.23Å; V174-L270 HydrophobicContact CG2-CB 3.73Å; L270-M287 HydrophobicContact CD1-SD 4.39Å; L270-M287 HydrophobicContact CD2-CB 3.86Å; L270-T289 HydrophobicContact CD2-CG2 4.21Å; L270-K517 HydrophobicContact CD2-CD 4.05Å
271	A	98.2	Very high	85.1	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-49.2	172.7	0	0	0	0	0	110.3	I93 Y169 A175 D269 L288	I93-A271 HydrophobicContact CD1-CB 3.78Å; Y169-A271 HydrophobicContact CE1-CB 3.92Å; Y169-A271 WeakPolarHBondContact CE1-O 3.37Å; A175-A271 PolarHBondContact N-O 2.84Å; D269-A271 PolarHBondContact O-N 2.82Å; A271-L288 PolarHBondContact N-O 3.39Å
272	V	98.2	Very high	83.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.7	-170.9	60.8	0	0	0	0	112.4	A175 P177 C274 L288 M325	A175-V272 VanDerWaalsContact O-CA 3.29Å; A175-V272 WeakPolarHBondContact O-CA 3.38Å; A175-V272 WeakPolarHBondContact O-CG2 3.46Å; P177-V272 HydrophobicContact CG-CG2 3.89Å; V272-C274 VanDerWaalsContact CG2-SG 3.58Å; V272-L288 HydrophobicContact CG1-CB 3.7Å; V272-L288 HydrophobicContact CG1-CD1 3.94Å; V272-L288 HydrophobicContact CG1-CG 4.43Å; V272-L288 PolarHBondContact N-O 2.99Å; V272-L288 VanDerWaalsContact N-O 3.17Å; V272-L288 PolarHBondContact O-N 3.32Å; V272-M325 HydrophobicContact CG1-SD 3.93Å
273	I	98.1	Very high	83.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.7	166	-58.7	170.6	0	0	0	109.1	Y150 V174 A175 V176 P177 F275 A286 M287 L520	Y150-I273 HydrophobicContact CD1-CD1 3.66Å; Y150-I273 HydrophobicContact CE1-CD1 3.33Å; V174-I273 HydrophobicContact CG1-CD1 4.1Å; V174-I273 HydrophobicContact CG1-CG1 3.92Å; A175-I273 PolarHBondContact O-N 2.79Å; V176-I273 HydrophobicContact CG2-CB 4.31Å; V176-I273 HydrophobicContact CG2-CD1 4.47Å; P177-I273 WeakPolarHBondContact CD-O 3.46Å; I273-F275 HydrophobicContact CG2-CD2 4.13Å; I273-F275 HydrophobicContact CG2-CE2 3.66Å; I273-F275 HydrophobicContact CG2-CZ 4.3Å; I273-A286 WeakPolarHBondContact CA-O 3.23Å; I273-M287 HydrophobicContact CG1-CG 4.36Å; I273-L520 HydrophobicContact CD1-CD1 3.95Å; I273-L520 HydrophobicContact CD1-CD2 3.99Å; I273-L520 HydrophobicContact CD1-CG 4.44Å; I273-L520 HydrophobicContact CG2-CB 4.35Å; I273-L520 HydrophobicContact CG2-CD2 4.33Å
274	C	94.8	Very high	82.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.1	178.4	-78.2	0	0	0	0	110.2	V272 A286 M325 T461	V272-C274 VanDerWaalsContact CG2-SG 3.58Å; C274-A286 PolarHBondContact N-O 3.42Å; C274-A286 VanDerWaalsContact N-O 3.08Å; C274-A286 WeakPolarHBondContact O-CB 3.31Å; C274-A286 PolarHBondContact O-N 3.2Å; C274-M325 VanDerWaalsContact SG-SD 3.6Å; C274-T461 HydrophobicContact CB-CG2 3.46Å; C274-T461 VanDerWaalsContact CB-CG2 3.46Å
275	F	89.1	Confident	82.7	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.9	174	-78.4	-96.5	0	0	0	111.2	V176 I190 R193 A194 I273 P283 K284 L520	V176-F275 HydrophobicContact CG1-CD2 4.11Å; V176-F275 HydrophobicContact CG1-CE2 3.82Å; I190-F275 HydrophobicContact CB-CD1 4.48Å; I190-F275 HydrophobicContact CB-CD2 4.4Å; I190-F275 HydrophobicContact CB-CE1 4.46Å; I190-F275 HydrophobicContact CB-CE2 4.43Å; I190-F275 HydrophobicContact CB-CG 4.42Å; I190-F275 HydrophobicContact CB-CZ 4.43Å; I190-F275 HydrophobicContact CD1-CB 3.74Å; I190-F275 HydrophobicContact CD1-CD1 4.31Å; I190-F275 HydrophobicContact CD1-CD2 4.4Å; I190-F275 HydrophobicContact CD1-CG 3.9Å; I190-F275 HydrophobicContact CG1-CB 4.04Å; I190-F275 HydrophobicContact CG1-CD1 3.63Å; I190-F275 HydrophobicContact CG1-CD2 4.09Å; I190-F275 HydrophobicContact CG1-CE1 4.02Å; I190-F275 HydrophobicContact CG1-CE2 4.47Å; I190-F275 HydrophobicContact CG1-CG 3.64Å; I190-F275 HydrophobicContact CG1-CZ 4.42Å; I190-F275 HydrophobicContact CG2-CD1 4.37Å; I190-F275 HydrophobicContact CG2-CD2 3.5Å; I190-F275 VanDerWaalsContact CG2-CD2 3.5Å; I190-F275 HydrophobicContact CG2-CE1 4.28Å; I190-F275 HydrophobicContact CG2-CE2 3.43Å; I190-F275 VanDerWaalsContact CG2-CE2 3.43Å; I190-F275 HydrophobicContact CG2-CG 3.98Å; I190-F275 HydrophobicContact CG2-CZ 3.83Å; R193-F275 HydrophobicContact CB-CE1 4.39Å; R193-F275 HydrophobicContact CB-CZ 4.38Å; R193-F275 HydrophobicContact CG-CE1 4.25Å; R193-F275 HydrophobicContact CG-CZ 4.37Å; A194-F275 HydrophobicContact CB-CE2 4.21Å; A194-F275 HydrophobicContact CB-CZ 4.2Å; I273-F275 HydrophobicContact CG2-CD2 4.13Å; I273-F275 HydrophobicContact CG2-CE2 3.66Å; I273-F275 HydrophobicContact CG2-CZ 4.3Å; F275-P283 HydrophobicContact CB-CB 4.05Å; F275-P283 HydrophobicContact CD1-CB 3.94Å; F275-P283 HydrophobicContact CG-CB 4.48Å; F275-K284 CarbonylContact C-O 3.38Å; F275-K284 VanDerWaalsContact CA-O 3.3Å; F275-K284 WeakPolarHBondContact CA-O 3.38Å; F275-L520 HydrophobicContact CZ-CD2 4.25Å
276	T	74.4	Confident	82.6	Confident	22 Å²	22	39.5 Å²	39.5	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.3	176.7	63.2	0	0	0	0	110.2	G278 P283 K284 T461	T276-G278 PolarHBondContact O-N 2.91Å; T276-P283 CarbonylContact O-C 3.47Å; T276-P283 VanDerWaalsContact O-CA 3.26Å; T276-P283 WeakPolarHBondContact O-CA 2.93Å; T276-K284 PolarHBondContact N-O 3.24Å; T276-K284 PolarHBondContact O-N 2.8Å; T276-T461 HydrophobicContact CG2-CG2 3.8Å; T276-T461 WeakPolarHBondContact CG2-OG1 3.27Å
277	S	61.8	Low	82.6	Confident	49 Å²	49	34 Å²	34	34%	0.343	21%	0.213	S	C	.	.			trans	-74.5	103.4	168.7	59.4	0	0	0	0	108.2
278	G	51.3	Low	82.7	Confident	35 Å²	35	32 Å²	32	36%	0.361	20%	0.199	S	C	.	.			trans	-68.4	168.1	167.6	0	0	0	0	0	111.1	T276 T280	T276-G278 PolarHBondContact O-N 2.91Å; G278-T280 PolarHBondContact O-N 2.68Å
279	T	42.1	Very low	82.7	Confident	55 Å²	55	26.4 Å²	26.4	34%	0.337	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.6	178.8	47.6	0	0	0	0	114.4	H558 N679	T279-H558 WeakPolarHBondContact CG2-NE2 3.21Å; T279-N679 PolarHBondContact O-ND2 3.23Å
280	T	46.8	Very low	82.8	Confident	100 Å²	100	24.6 Å²	24.6	61%	0.613	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139	24	-167.6	61.9	0	0	0	0	114.7	G278	G278-T280 PolarHBondContact O-N 2.68Å
281	G	59.6	Low	82.8	Confident	48 Å²	48	24.3 Å²	24.3	50%	0.495	16%	0.163	S	C	.	.	S	Bend	trans	158.1	-160.5	172.5	0	0	0	0	0	116.4
282	N	69.5	Low	82.8	Confident	83 Å²	83	24.9 Å²	24.9	44%	0.444	17%	0.166	S	C	.	.	S	Bend	trans	-53.6	144.3	-177.5	-69.5	-20.3	0	0	0	113.1	Y189	Y189-N282 HydrophobicContact CD1-CB 4.21Å; Y189-N282 HydrophobicContact CD2-CB 4.16Å; Y189-N282 HydrophobicContact CE1-CB 3.87Å; Y189-N282 HydrophobicContact CE2-CB 3.8Å; Y189-N282 WeakPolarHBondContact CE2-ND2 3.43Å; Y189-N282 HydrophobicContact CG-CB 4.35Å
283	P	82	Confident	82.8	Confident	12 Å²	12	25.1 Å²	25.1	8%	0.078	17%	0.168	C	C	.	.			trans	-56.5	141.9	179.7	-24.6	33.7	0	0	0	113.1	A186 Y189 I190 F275 T276	A186-P283 HydrophobicContact CB-CG 4.17Å; Y189-P283 WeakPolarHBondContact CE1-O 3.41Å; I190-P283 HydrophobicContact CD1-CB 4.42Å; I190-P283 HydrophobicContact CG1-CB 4.38Å; F275-P283 HydrophobicContact CB-CB 4.05Å; F275-P283 HydrophobicContact CD1-CB 3.94Å; F275-P283 HydrophobicContact CG-CB 4.48Å; T276-P283 CarbonylContact O-C 3.47Å; T276-P283 VanDerWaalsContact O-CA 3.26Å; T276-P283 WeakPolarHBondContact O-CA 2.93Å
284	K	88.4	Confident	82.8	Confident	39 Å²	39	25.3 Å²	25.3	17%	0.17	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	179.6	-56.4	178.1	-67.1	170.3	0	110.6	F275 T276 A286 Y519	F275-K284 CarbonylContact C-O 3.38Å; F275-K284 VanDerWaalsContact CA-O 3.3Å; F275-K284 WeakPolarHBondContact CA-O 3.38Å; T276-K284 PolarHBondContact N-O 3.24Å; T276-K284 PolarHBondContact O-N 2.8Å; K284-A286 PolarHBondContact O-N 2.74Å; K284-Y519 HydrophobicContact CB-CD1 3.55Å; K284-Y519 HydrophobicContact CB-CE1 3.72Å; K284-Y519 HydrophobicContact CB-CG 4.19Å; K284-Y519 HydrophobicContact CD-CD1 4.41Å; K284-Y519 HydrophobicContact CD-CE1 4.15Å; K284-Y519 HydrophobicContact CD-CE2 4.24Å; K284-Y519 VanDerWaalsContact NZ-CZ 3.33Å; K284-Y519 PolarHBondContact NZ-OH 3.07Å
285	G	94.5	Very high	83	Confident	3 Å²	3	25.3 Å²	25.3	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	97.5	-179.1	0	0	0	0	0	112.3	M287 Y519 L520	G285-M287 PolarHBondContact O-N 3Å; G285-Y519 CarbonylContact O-C 3.49Å; G285-Y519 WeakPolarHBondContact O-CA 3.41Å; G285-L520 PolarHBondContact O-N 3Å
286	A	96.8	Very high	83.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.6	175.9	0	0	0	0	0	110.8	I273 C274 K284 T461 F516 Y519	I273-A286 WeakPolarHBondContact CA-O 3.23Å; C274-A286 PolarHBondContact N-O 3.42Å; C274-A286 VanDerWaalsContact N-O 3.08Å; C274-A286 WeakPolarHBondContact O-CB 3.31Å; C274-A286 PolarHBondContact O-N 3.2Å; K284-A286 PolarHBondContact O-N 2.74Å; A286-T461 HydrophobicContact CB-CG2 3.7Å; A286-F516 HydrophobicContact CB-CD2 3.76Å; A286-F516 HydrophobicContact CB-CE2 4.3Å; A286-Y519 HydrophobicContact CB-CE1 4.46Å
287	M	98.4	Very high	84.5	Confident	36 Å²	36	24.4 Å²	24.4	18%	0.177	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.5	-177.8	-63.6	-172.5	-66.9	0	0	111.3	L270 I273 G285 F516 K517 G518 L520	L270-M287 HydrophobicContact CD1-SD 4.39Å; L270-M287 HydrophobicContact CD2-CB 3.86Å; I273-M287 HydrophobicContact CG1-CG 4.36Å; G285-M287 PolarHBondContact O-N 3Å; M287-F516 WeakPolarHBondContact O-CB 3.34Å; M287-K517 HydrophobicContact CB-CB 4.26Å; M287-K517 PolarHBondContact O-N 3.4Å; M287-G518 WeakPolarHBondContact CB-O 3.44Å; M287-G518 PolarHBondContact N-O 3.12Å; M287-L520 HydrophobicContact CG-CB 4.13Å; M287-L520 HydrophobicContact CG-CD1 4.37Å; M287-L520 HydrophobicContact SD-CB 4.32Å; M287-L520 HydrophobicContact SD-CD1 3.83Å
288	L	98.6	Very high	86.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.6	-175.9	-65.8	165.6	0	0	0	110.9	A271 V272 N292 M325 T461 T464 F516	A271-L288 PolarHBondContact N-O 3.39Å; V272-L288 HydrophobicContact CG1-CB 3.7Å; V272-L288 HydrophobicContact CG1-CD1 3.94Å; V272-L288 HydrophobicContact CG1-CG 4.43Å; V272-L288 PolarHBondContact N-O 2.99Å; V272-L288 VanDerWaalsContact N-O 3.17Å; V272-L288 PolarHBondContact O-N 3.32Å; L288-N292 HydrophobicContact CD2-CB 4.38Å; L288-M325 HydrophobicContact CD1-CE 4.04Å; L288-M325 HydrophobicContact CD1-CG 3.6Å; L288-M325 HydrophobicContact CD1-SD 3.51Å; L288-M325 VanDerWaalsContact CD1-SD 3.51Å; L288-T461 HydrophobicContact CD1-CG2 4.2Å; L288-T464 VanDerWaalsContact CD2-OG1 3.31Å; L288-T464 WeakPolarHBondContact CD2-OG1 3.46Å; L288-F516 HydrophobicContact CD2-CB 3.6Å; L288-F516 HydrophobicContact CG-CB 4.39Å
289	T	98.7	Very high	88.4	Confident	5 Å²	5	20.5 Å²	20.5	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	164.8	177	63.9	0	0	0	0	112.5	P267 N268 D269 L270 G291 N292 V293 K517	P267-T289 WeakPolarHBondContact O-CB 3.46Å; N268-T289 WeakPolarHBondContact O-CG2 3.34Å; D269-T289 CarbonylContact O-C 3.47Å; D269-T289 WeakPolarHBondContact O-CA 3.16Å; D269-T289 VanDerWaalsContact O-CB 3.23Å; D269-T289 WeakPolarHBondContact O-CB 3.28Å; L270-T289 HydrophobicContact CD2-CG2 4.21Å; T289-G291 VanDerWaalsContact C-N 3.29Å; T289-G291 PolarHBondContact O-N 3.14Å; T289-N292 PolarHBondContact N-OD1 3.2Å; T289-N292 WeakPolarHBondContact O-CB 3.44Å; T289-N292 PolarHBondContact O-N 3.46Å; T289-N292 PolarHBondContact OG1-N 3.34Å; T289-N292 PolarHBondContact OG1-OD1 3.47Å; T289-V293 PolarHBondContact O-N 3.39Å; T289-K517 HydrophobicContact CG2-CD 3.67Å; T289-K517 HydrophobicContact CG2-CG 3.99Å
290	H	98.6	Very high	91	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.8	-45.8	169.8	-77.1	-77.2	0	0	0	111.8	T92 I93 Y169 P265 D269 N292 V293 I294	T92-H290 HydrophobicContact CG2-CB 4.03Å; I93-H290 PolarHBondContact N-ND1 3.36Å; Y169-H290 AromaticContact CD1-CE1 3.43Å; Y169-H290 VanDerWaalsContact CD1-CE1 3.43Å; Y169-H290 WeakPolarHBondContact CD1-CE1 3.18Å; Y169-H290 AromaticContact CD1-NE2 3.97Å; Y169-H290 AromaticContact CE1-CE1 3.95Å; Y169-H290 AromaticContact CG-CE1 3.76Å; P265-H290 VanDerWaalsContact CB-CD2 3.49Å; P265-H290 WeakPolarHBondContact CB-CD2 3.34Å; P265-H290 WeakPolarHBondContact CB-NE2 3.11Å; P265-H290 VanDerWaalsContact CG-NE2 3.28Å; P265-H290 WeakPolarHBondContact CG-NE2 3.11Å; D269-H290 PolarHBondContact O-N 2.75Å; H290-N292 VanDerWaalsContact C-N 3.3Å; H290-N292 PolarHBondContact O-N 3.06Å; H290-V293 PolarHBondContact O-N 3.34Å; H290-I294 WeakPolarHBondContact O-CG1 3.43Å; H290-I294 PolarHBondContact O-N 2.91Å
291	G	98.4	Very high	93.3	Very high	17 Å²	17	14.3 Å²	14.3	18%	0.175	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-34.7	178.5	0	0	0	0	0	112.9	P267 T289 I294 S295	P267-G291 WeakPolarHBondContact O-CA 3.37Å; P267-G291 PolarHBondContact O-N 2.93Å; T289-G291 VanDerWaalsContact C-N 3.29Å; T289-G291 PolarHBondContact O-N 3.14Å; G291-I294 PolarHBondContact O-N 2.86Å; G291-S295 VanDerWaalsContact O-CB 3.28Å; G291-S295 WeakPolarHBondContact O-CB 3.49Å; G291-S295 PolarHBondContact O-N 3.15Å; G291-S295 PolarHBondContact O-OG 3.21Å
292	N	98.4	Very high	95.1	Very high	13 Å²	13	13.8 Å²	13.8	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-59.2	-50.4	172.9	-63.6	139.4	0	0	0	111	L288 T289 H290 S295 N296 T464 S513 V515	L288-N292 HydrophobicContact CD2-CB 4.38Å; T289-N292 PolarHBondContact N-OD1 3.2Å; T289-N292 WeakPolarHBondContact O-CB 3.44Å; T289-N292 PolarHBondContact O-N 3.46Å; T289-N292 PolarHBondContact OG1-N 3.34Å; T289-N292 PolarHBondContact OG1-OD1 3.47Å; H290-N292 VanDerWaalsContact C-N 3.3Å; H290-N292 PolarHBondContact O-N 3.06Å; N292-S295 PolarHBondContact O-N 2.9Å; N292-S295 PolarHBondContact O-OG 2.7Å; N292-N296 PolarHBondContact O-N 2.96Å; N292-T464 HydrophobicContact CB-CG2 4.47Å; N292-T464 WeakPolarHBondContact CB-OG1 3.29Å; N292-S513 WeakPolarHBondContact CA-O 3.45Å; N292-S513 PolarHBondContact ND2-O 3.25Å; N292-V515 PolarHBondContact ND2-O 2.85Å
293	V	98.3	Very high	96.3	Very high	5 Å²	5	10 Å²	10	3%	0.03	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-47.2	178.8	-175.9	0	0	0	0	111.5	I93 T289 H290 S295 N296 T297 M325 T464	I93-V293 HydrophobicContact CD1-CB 3.8Å; I93-V293 HydrophobicContact CD1-CG1 3.86Å; I93-V293 HydrophobicContact CD1-CG2 3.83Å; I93-V293 HydrophobicContact CG1-CB 4.05Å; I93-V293 HydrophobicContact CG1-CG1 4.02Å; T289-V293 PolarHBondContact O-N 3.39Å; H290-V293 PolarHBondContact O-N 3.34Å; V293-S295 PolarHBondContact O-N 3.06Å; V293-N296 PolarHBondContact O-N 2.82Å; V293-T297 PolarHBondContact O-N 3.08Å; V293-T297 PolarHBondContact O-OG1 3.46Å; V293-M325 HydrophobicContact CG2-CE 3.88Å; V293-T464 HydrophobicContact CB-CG2 4.39Å; V293-T464 HydrophobicContact CG2-CG2 4.04Å
294	I	98.4	Very high	96.8	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.021	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-38.5	-178.8	-62.2	-41.7	0	0	0	112.2	T84 H85 A90 Q91 I93 V96 H290 G291 N296 T297 A298	T84-I294 CarbonylContact O-C 3.43Å; H85-I294 HydrophobicContact CB-CG2 3.91Å; A90-I294 WeakPolarHBondContact O-CG2 3.33Å; Q91-I294 WeakPolarHBondContact O-CG1 3.43Å; I93-I294 HydrophobicContact CG1-CD1 4.16Å; V96-I294 HydrophobicContact CB-CD1 4.47Å; V96-I294 HydrophobicContact CG2-CD1 3.36Å; H290-I294 WeakPolarHBondContact O-CG1 3.43Å; H290-I294 PolarHBondContact O-N 2.91Å; G291-I294 PolarHBondContact O-N 2.86Å; I294-N296 VanDerWaalsContact C-N 3.28Å; I294-N296 PolarHBondContact O-N 3.17Å; I294-T297 PolarHBondContact O-N 2.93Å; I294-A298 WeakPolarHBondContact O-CB 3.37Å; I294-A298 PolarHBondContact O-N 2.92Å
295	S	98.1	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61	-38.4	176.4	72.4	0	0	0	0	112.2	M83 T84 G291 N292 V293 A299 C486 S513 N514	M83-S295 VanDerWaalsContact O-CB 3.31Å; M83-S295 WeakPolarHBondContact O-CB 3.4Å; T84-S295 VanDerWaalsContact O-CA 3.25Å; T84-S295 WeakPolarHBondContact O-CA 3.38Å; T84-S295 PolarHBondContact O-N 3.46Å; G291-S295 VanDerWaalsContact O-CB 3.28Å; G291-S295 WeakPolarHBondContact O-CB 3.49Å; G291-S295 PolarHBondContact O-N 3.15Å; G291-S295 PolarHBondContact O-OG 3.21Å; N292-S295 PolarHBondContact O-N 2.9Å; N292-S295 PolarHBondContact O-OG 2.7Å; V293-S295 PolarHBondContact O-N 3.06Å; S295-A299 WeakPolarHBondContact O-CB 3.22Å; S295-A299 PolarHBondContact O-N 3.37Å; S295-C486 WeakPolarHBondContact O-CB 3.4Å; S295-S513 VanDerWaalsContact OG-C 3.27Å; S295-S513 PolarHBondContact OG-O 3.15Å; S295-N514 WeakPolarHBondContact OG-CA 3.15Å; S295-N514 PolarHBondContact OG-N 3.38Å
296	N	97.7	Very high	96.8	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-71.1	-46.1	177.3	-149.4	-94.5	0	0	0	112.2	N292 V293 I294 A298 A299 F300 V329 T464 G466	N292-N296 PolarHBondContact O-N 2.96Å; V293-N296 PolarHBondContact O-N 2.82Å; I294-N296 VanDerWaalsContact C-N 3.28Å; I294-N296 PolarHBondContact O-N 3.17Å; N296-A298 VanDerWaalsContact C-N 3.31Å; N296-A298 PolarHBondContact O-N 3.41Å; N296-A299 PolarHBondContact O-N 2.9Å; N296-F300 PolarHBondContact O-N 2.88Å; N296-V329 HydrophobicContact CB-CG1 4.37Å; N296-V329 HydrophobicContact CB-CG2 4.3Å; N296-T464 HydrophobicContact CB-CG2 4.05Å; N296-T464 PolarHBondContact ND2-O 3.4Å; N296-T464 PolarHBondContact OD1-O 2.85Å; N296-T464 VanDerWaalsContact OD1-O 3.14Å; N296-G466 PolarHBondContact ND2-O 2.85Å; N296-G466 PolarHBondContact OD1-N 3.11Å
297	T	97.8	Very high	96.2	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-55.8	-46.3	173.1	-65.6	0	0	0	0	110.9	V293 I294 F300 I301 V333	V293-T297 PolarHBondContact O-N 3.08Å; V293-T297 PolarHBondContact O-OG1 3.46Å; I294-T297 PolarHBondContact O-N 2.93Å; T297-F300 PolarHBondContact O-N 3.46Å; T297-I301 HydrophobicContact CG2-CD1 3.96Å; T297-I301 VanDerWaalsContact O-CG1 3.26Å; T297-I301 WeakPolarHBondContact O-CG1 3.4Å; T297-I301 PolarHBondContact O-N 3.25Å; T297-I301 VanDerWaalsContact O-N 3.08Å; T297-V333 HydrophobicContact CG2-CB 4.48Å; T297-V333 HydrophobicContact CG2-CG2 3.78Å
298	A	97.4	Very high	95.7	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-44.5	178.8	0	0	0	0	0	112.7	M83 H85 Y86 I294 N296 F300 I301 K302	M83-A298 HydrophobicContact CG-CB 3.97Å; M83-A298 HydrophobicContact SD-CB 3.89Å; H85-A298 VanDerWaalsContact C-CB 3.44Å; Y86-A298 VanDerWaalsContact N-CB 3.32Å; I294-A298 WeakPolarHBondContact O-CB 3.37Å; I294-A298 PolarHBondContact O-N 2.92Å; N296-A298 VanDerWaalsContact C-N 3.31Å; N296-A298 PolarHBondContact O-N 3.41Å; A298-F300 VanDerWaalsContact C-N 3.34Å; A298-F300 PolarHBondContact O-N 3.13Å; A298-I301 PolarHBondContact O-N 2.81Å; A298-K302 WeakPolarHBondContact O-CB 3.27Å; A298-K302 PolarHBondContact O-N 2.93Å
299	A	97.1	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-42.6	177	0	0	0	0	0	112.2	S295 N296 K302 V303 L484 P485 C486	S295-A299 WeakPolarHBondContact O-CB 3.22Å; S295-A299 PolarHBondContact O-N 3.37Å; N296-A299 PolarHBondContact O-N 2.9Å; A299-K302 PolarHBondContact O-N 2.87Å; A299-V303 WeakPolarHBondContact O-CG2 3.02Å; A299-V303 PolarHBondContact O-N 3.23Å; A299-V303 VanDerWaalsContact O-N 3.08Å; A299-L484 HydrophobicContact CB-CB 4.04Å; A299-L484 HydrophobicContact CB-CD1 4.49Å; A299-P485 HydrophobicContact CB-CB 4.47Å; A299-C486 HydrophobicContact CB-CB 3.91Å; A299-C486 VanDerWaalsContact CB-SG 3.55Å
300	F	96.6	Very high	95.3	Very high	24 Å²	24	18.9 Å²	18.9	11%	0.105	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-45	174.8	-176.6	-90.9	0	0	0	112	N296 T297 A298 V303 T304 V333 L430 I432 M469	N296-F300 PolarHBondContact O-N 2.88Å; T297-F300 PolarHBondContact O-N 3.46Å; A298-F300 VanDerWaalsContact C-N 3.34Å; A298-F300 PolarHBondContact O-N 3.13Å; F300-V303 PolarHBondContact O-N 3.46Å; F300-T304 HydrophobicContact CD1-CG2 4.34Å; F300-T304 HydrophobicContact CE1-CG2 3.88Å; F300-T304 HydrophobicContact CE2-CG2 4.13Å; F300-T304 HydrophobicContact CZ-CG2 3.77Å; F300-T304 WeakPolarHBondContact O-CB 3.31Å; F300-T304 WeakPolarHBondContact O-CG2 3.28Å; F300-T304 PolarHBondContact O-N 2.85Å; F300-T304 PolarHBondContact O-OG1 3.02Å; F300-V333 HydrophobicContact CB-CG2 4.31Å; F300-V333 HydrophobicContact CD1-CB 4.4Å; F300-V333 HydrophobicContact CD1-CG1 3.83Å; F300-V333 HydrophobicContact CD1-CG2 3.74Å; F300-V333 HydrophobicContact CE1-CG1 4.06Å; F300-V333 HydrophobicContact CE1-CG2 4.5Å; F300-V333 HydrophobicContact CG-CG2 4.26Å; F300-L430 HydrophobicContact CE1-CD2 4.34Å; F300-L430 HydrophobicContact CZ-CD2 4.11Å; F300-I432 HydrophobicContact CE2-CD1 4.29Å; F300-I432 HydrophobicContact CE2-CG1 3.81Å; F300-I432 HydrophobicContact CZ-CD1 3.9Å; F300-I432 HydrophobicContact CZ-CG1 3.9Å; F300-M469 HydrophobicContact CD2-CE 3.85Å; F300-M469 HydrophobicContact CD2-SD 3.62Å; F300-M469 HydrophobicContact CE2-CE 3.98Å; F300-M469 HydrophobicContact CE2-SD 3.54Å; F300-M469 VanDerWaalsContact CE2-SD 3.54Å
301	I	96.8	Very high	95.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-47.4	177.4	-64.6	167.3	0	0	0	110.3	Y86 T297 A298 V303 T304 Q305 M309 V333 I336	Y86-I301 HydrophobicContact CD1-CG2 3.72Å; Y86-I301 HydrophobicContact CD2-CB 4.29Å; Y86-I301 HydrophobicContact CD2-CG2 3.82Å; Y86-I301 HydrophobicContact CE1-CG2 3.75Å; Y86-I301 HydrophobicContact CE2-CG2 3.85Å; Y86-I301 HydrophobicContact CG-CB 4.25Å; Y86-I301 HydrophobicContact CG-CG2 3.75Å; T297-I301 HydrophobicContact CG2-CD1 3.96Å; T297-I301 VanDerWaalsContact O-CG1 3.26Å; T297-I301 WeakPolarHBondContact O-CG1 3.4Å; T297-I301 PolarHBondContact O-N 3.25Å; T297-I301 VanDerWaalsContact O-N 3.08Å; A298-I301 PolarHBondContact O-N 2.81Å; I301-V303 VanDerWaalsContact C-N 3.31Å; I301-V303 PolarHBondContact O-N 3.39Å; I301-T304 CarbonylContact O-C 3.49Å; I301-T304 PolarHBondContact O-N 3.29Å; I301-T304 VanDerWaalsContact O-N 3.09Å; I301-T304 PolarHBondContact O-OG1 3.5Å; I301-Q305 WeakPolarHBondContact O-CB 3.43Å; I301-Q305 PolarHBondContact O-N 3.13Å; I301-M309 HydrophobicContact CG2-CE 3.97Å; I301-M309 HydrophobicContact CG2-SD 3.99Å; I301-V333 HydrophobicContact CG1-CG1 4.1Å; I301-I336 HydrophobicContact CD1-CD1 4.4Å; I301-I336 HydrophobicContact CD1-CG2 3.93Å
302	K	95.7	Very high	95.1	Very high	38 Å²	38	25.1 Å²	25.1	17%	0.165	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-40.9	179	-177.4	70.5	174.8	-159.3	0	112.3	L75 M83 Y86 A298 A299 Q305 P485	L75-K302 HydrophobicContact CB-CG 4.48Å; L75-K302 WeakPolarHBondContact O-CE 3.47Å; M83-K302 HydrophobicContact CE-CB 4.05Å; M83-K302 HydrophobicContact CE-CD 3.88Å; M83-K302 HydrophobicContact CE-CG 3.86Å; M83-K302 HydrophobicContact SD-CB 3.88Å; M83-K302 HydrophobicContact SD-CG 4.3Å; Y86-K302 HydrophobicContact CD2-CB 4.37Å; Y86-K302 HydrophobicContact CE2-CD 4.41Å; A298-K302 WeakPolarHBondContact O-CB 3.27Å; A298-K302 PolarHBondContact O-N 2.93Å; A299-K302 PolarHBondContact O-N 2.87Å; K302-Q305 WeakPolarHBondContact O-CG 3.46Å; K302-Q305 PolarHBondContact O-NE2 3.32Å; K302-P485 HydrophobicContact CB-CG 4.38Å; K302-P485 HydrophobicContact CG-CG 4.09Å
303	V	95	Very high	95	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-68.6	-37.7	177	175.4	0	0	0	0	111.4	L75 A299 F300 I301 M469 M471 P472 L484 P485	L75-V303 HydrophobicContact CD1-CB 4.48Å; L75-V303 HydrophobicContact CD1-CG2 3.91Å; A299-V303 WeakPolarHBondContact O-CG2 3.02Å; A299-V303 PolarHBondContact O-N 3.23Å; A299-V303 VanDerWaalsContact O-N 3.08Å; F300-V303 PolarHBondContact O-N 3.46Å; I301-V303 VanDerWaalsContact C-N 3.31Å; I301-V303 PolarHBondContact O-N 3.39Å; V303-M469 HydrophobicContact CB-CE 3.67Å; V303-M469 HydrophobicContact CG1-CE 3.31Å; V303-M469 HydrophobicContact CG2-CE 4.25Å; V303-M471 HydrophobicContact CG1-SD 3.98Å; V303-P472 HydrophobicContact CG1-CG 4.23Å; V303-P472 WeakPolarHBondContact O-CG 3.39Å; V303-L484 HydrophobicContact CG2-CD2 4.05Å; V303-P485 HydrophobicContact CG2-CG 4.36Å
304	T	94.1	Very high	95	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-95.1	-7.3	-171.5	56.4	0	0	0	0	115.4	F300 I301 I306 H307 S308 M309 Y455 M469	F300-T304 HydrophobicContact CD1-CG2 4.34Å; F300-T304 HydrophobicContact CE1-CG2 3.88Å; F300-T304 HydrophobicContact CE2-CG2 4.13Å; F300-T304 HydrophobicContact CZ-CG2 3.77Å; F300-T304 WeakPolarHBondContact O-CB 3.31Å; F300-T304 WeakPolarHBondContact O-CG2 3.28Å; F300-T304 PolarHBondContact O-N 2.85Å; F300-T304 PolarHBondContact O-OG1 3.02Å; I301-T304 CarbonylContact O-C 3.49Å; I301-T304 PolarHBondContact O-N 3.29Å; I301-T304 VanDerWaalsContact O-N 3.09Å; I301-T304 PolarHBondContact O-OG1 3.5Å; T304-I306 PolarHBondContact O-N 3.41Å; T304-H307 PolarHBondContact O-N 2.71Å; T304-S308 CarbonylContact O-C 3.57Å; T304-S308 WeakPolarHBondContact O-CA 3.42Å; T304-S308 PolarHBondContact O-N 3.3Å; T304-M309 PolarHBondContact O-N 3.49Å; T304-Y455 HydrophobicContact CG2-CD2 4.42Å; T304-Y455 HydrophobicContact CG2-CE2 3.92Å; T304-M469 HydrophobicContact CG2-CE 4.27Å
305	Q	93.1	Very high	95	Very high	62 Å²	62	30.7 Å²	30.7	29%	0.29	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.8	-171.8	67.8	-173.8	-33.2	0	0	115.3	Y86 I301 K302 M309	Y86-Q305 PolarHBondContact OH-OE1 2.83Å; I301-Q305 WeakPolarHBondContact O-CB 3.43Å; I301-Q305 PolarHBondContact O-N 3.13Å; K302-Q305 WeakPolarHBondContact O-CG 3.46Å; K302-Q305 PolarHBondContact O-NE2 3.32Å; Q305-M309 HydrophobicContact CB-SD 4.29Å
306	I	88.3	Confident	95	Very high	90 Å²	90	30.7 Å²	30.7	46%	0.462	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-43.2	-174.6	-56.6	-176.9	0	0	0	111.9	P54 T304	P54-I306 HydrophobicContact CB-CD1 3.96Å; P54-I306 HydrophobicContact CG-CD1 4.18Å; T304-I306 PolarHBondContact O-N 3.41Å
307	H	85.4	Confident	95	Very high	56 Å²	56	30.3 Å²	30.3	26%	0.259	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-15.4	-169.4	-66.6	-58.1	0	0	0	114.6	L51 K52 T304	L51-H307 HydrophobicContact CD2-CB 4.48Å; K52-H307 PolarHBondContact N-CE1 3.48Å; K52-H307 PolarHBondContact N-NE2 3Å; K52-H307 PolarHBondContact O-NE2 2.93Å; T304-H307 PolarHBondContact O-N 2.71Å
308	S	87.3	Confident	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.149	C	C	.	.			trans	-140	18.6	-170.3	-46.8	0	0	0	0	113.7	T304 L310 R429 Q453 Y455	T304-S308 CarbonylContact O-C 3.57Å; T304-S308 WeakPolarHBondContact O-CA 3.42Å; T304-S308 PolarHBondContact O-N 3.3Å; S308-L310 PolarHBondContact O-N 3.33Å; S308-R429 PolarHBondContact O-NH1 3.17Å; S308-Q453 VanDerWaalsContact OG-CG 3.32Å; S308-Q453 WeakPolarHBondContact OG-CG 3.5Å; S308-Y455 PolarHBondContact OG-OH 3.21Å
309	M	93	Very high	94.8	Very high	59 Å²	59	31 Å²	31	29%	0.291	15%	0.151	S	C	.	.			trans	-49.3	129.9	177	-164.7	64.1	177.3	0	0	111.1	Y86 Y87 I301 T304 Q305 H337 R429	Y86-M309 HydrophobicContact CE1-CE 4.3Å; Y87-M309 WeakPolarHBondContact OH-CE 3.14Å; I301-M309 HydrophobicContact CG2-CE 3.97Å; I301-M309 HydrophobicContact CG2-SD 3.99Å; T304-M309 PolarHBondContact O-N 3.49Å; Q305-M309 HydrophobicContact CB-SD 4.29Å; M309-H337 WeakPolarHBondContact CE-NE2 3.43Å; M309-R429 PolarHBondContact O-NH2 2.68Å
310	L	95.9	Very high	94.4	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.052	16%	0.155	C	C	.	.			trans	-81.8	157	178.4	-57.8	-169	0	0	0	111.1	S308 D314 V333 I334 H337 V362 L430	S308-L310 PolarHBondContact O-N 3.33Å; L310-D314 WeakPolarHBondContact CA-OD2 3.49Å; L310-V333 HydrophobicContact CD1-CG1 3.68Å; L310-V333 HydrophobicContact CG-CG1 4.34Å; L310-I334 HydrophobicContact CD1-CD1 3.6Å; L310-I334 HydrophobicContact CD1-CG1 4.43Å; L310-H337 HydrophobicContact CB-CB 4.13Å; L310-H337 PolarHBondContact O-CD2 3.43Å; L310-V362 HydrophobicContact CD1-CG2 4.23Å; L310-V362 HydrophobicContact CD2-CG2 3.71Å; L310-L430 HydrophobicContact CD2-CD2 4.05Å
311	N	95.8	Very high	94.1	Very high	69 Å²	69	33.2 Å²	33.2	37%	0.369	17%	0.167	S	C	.	.			trans	-148	175	175.1	64.5	70.2	0	0	0	110.7	H313 D314 A339	N311-H313 PolarHBondContact O-N 3.12Å; N311-H313 VanDerWaalsContact OD1-CB 3.27Å; N311-H313 WeakPolarHBondContact OD1-CB 3.47Å; N311-H313 PolarHBondContact OD1-CD2 3.13Å; N311-H313 PolarHBondContact OD1-N 3.21Å; N311-D314 PolarHBondContact N-OD2 3.35Å; N311-D314 WeakPolarHBondContact O-CB 3.37Å; N311-D314 PolarHBondContact O-N 3.45Å; N311-A339 WeakPolarHBondContact O-CB 3.26Å
312	L	96.6	Very high	93.8	Very high	78 Å²	78	33.2 Å²	33.2	41%	0.408	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16	-175.8	69.9	94.4	0	0	0	115.4	H337	L312-H337 PolarHBondContact N-O 3.03Å
313	H	97	Very high	93.5	Very high	132 Å²	132	31.6 Å²	31.6	61%	0.611	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.1	176.8	-57.4	-59.8	0	0	0	113.7	N311	N311-H313 PolarHBondContact O-N 3.12Å; N311-H313 VanDerWaalsContact OD1-CB 3.27Å; N311-H313 WeakPolarHBondContact OD1-CB 3.47Å; N311-H313 PolarHBondContact OD1-CD2 3.13Å; N311-H313 PolarHBondContact OD1-N 3.21Å
314	D	98.3	Very high	93.2	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.168	C	C	.	.			trans	-72	149.7	178.9	-72.6	-63.5	0	0	0	112.8	L310 N311 A339 R340 T361 R429	L310-D314 WeakPolarHBondContact CA-OD2 3.49Å; N311-D314 PolarHBondContact N-OD2 3.35Å; N311-D314 WeakPolarHBondContact O-CB 3.37Å; N311-D314 PolarHBondContact O-N 3.45Å; D314-A339 HydrophobicContact CB-CB 3.96Å; D314-A339 WeakPolarHBondContact O-CB 3.4Å; D314-R340 PolarHBondContact O-N 3.44Å; D314-R340 VanDerWaalsContact O-N 3.16Å; D314-T361 VanDerWaalsContact CA-OG1 3.25Å; D314-T361 WeakPolarHBondContact CA-OG1 3.43Å; D314-T361 WeakPolarHBondContact CB-OG1 3.31Å; D314-T361 WeakPolarHBondContact OD1-CB 3.25Å; D314-T361 PolarHBondContact OD1-OG1 3.23Å; D314-R429 IonicContact OD1-CZ 2.82Å; D314-R429 VanDerWaalsContact OD1-CZ 3.26Å; D314-R429 IonicContact OD1-NE 3.9Å; D314-R429 PolarHBondContact OD1-NE 2.76Å; D314-R429 IonicContact OD1-NH2 3.81Å; D314-R429 PolarHBondContact OD1-NH2 3.49Å; D314-R429 IonicContact OD2-CZ 3.28Å; D314-R429 IonicContact OD2-NE 3.44Å; D314-R429 IonicContact OD2-NH2 2.83Å; D314-R429 PolarHBondContact OD2-NH2 3.28Å
315	I	98.4	Very high	93.2	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.3	179.5	-47.1	-172.6	0	0	0	108.9	W121 R340 L358 T361 V362	W121-I315 HydrophobicContact CH2-CG2 4.11Å; I315-R340 WeakPolarHBondContact CA-O 3.23Å; I315-R340 HydrophobicContact CB-CG 4.32Å; I315-R340 HydrophobicContact CD1-CG 4.41Å; I315-R340 VanDerWaalsContact CD1-NE 3.27Å; I315-R340 HydrophobicContact CG1-CG 3.83Å; I315-R340 HydrophobicContact CG2-CG 4.19Å; I315-L358 HydrophobicContact CG2-CD1 3.69Å; I315-L358 HydrophobicContact CG2-CD2 4.03Å; I315-L358 HydrophobicContact CG2-CG 3.78Å; I315-T361 PolarHBondContact N-OG1 3.02Å; I315-T361 PolarHBondContact O-N 2.63Å; I315-T361 PolarHBondContact O-OG1 2.73Å; I315-V362 PolarHBondContact O-N 3.27Å; I315-V362 VanDerWaalsContact O-N 3.08Å
316	H	98.3	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.3	173.2	168.9	54	0	0	0	110.8	E327 I334 R340 G342 P364	H316-E327 IonicContact CD2-OE1 2.86Å; H316-E327 IonicContact CE1-OE1 3.59Å; H316-E327 IonicContact CE1-OE2 2.86Å; H316-E327 IonicContact NE2-OE1 2.89Å; H316-E327 PolarHBondContact NE2-OE1 3.08Å; H316-E327 IonicContact NE2-OE2 3.99Å; H316-I334 HydrophobicContact CB-CD1 3.6Å; H316-I334 HydrophobicContact CB-CG1 3.68Å; H316-I334 HydrophobicContact CB-CG2 4.33Å; H316-R340 PolarHBondContact N-O 2.98Å; H316-G342 PolarHBondContact O-N 2.87Å; H316-P364 WeakPolarHBondContact CE1-CD 3.49Å; H316-P364 WeakPolarHBondContact CE1-CG 3.35Å; H316-P364 WeakPolarHBondContact ND1-CD 3.07Å
317	I	97.6	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.2	171.4	179.6	66.4	0	0	0	109.6	Y319 G342 F344 L351 D354 L355 L358 P360 F363	I317-Y319 HydrophobicContact CG1-CD1 4.47Å; I317-Y319 HydrophobicContact CG2-CD1 4.45Å; I317-G342 CarbonylContact C-O 3.51Å; I317-G342 WeakPolarHBondContact CA-O 3.09Å; I317-F344 HydrophobicContact CD1-CB 4.3Å; I317-L351 HydrophobicContact CG1-CD1 4.21Å; I317-D354 HydrophobicContact CD1-CB 4.35Å; I317-L355 HydrophobicContact CB-CD2 4.31Å; I317-L355 HydrophobicContact CG1-CD2 4.21Å; I317-L355 HydrophobicContact CG2-CD2 3.76Å; I317-L358 HydrophobicContact CB-CD2 3.76Å; I317-L358 HydrophobicContact CD1-CD2 3.56Å; I317-L358 HydrophobicContact CG1-CD2 4.21Å; I317-P360 HydrophobicContact CB-CB 4.27Å; I317-P360 HydrophobicContact CB-CG 4.37Å; I317-P360 HydrophobicContact CG2-CB 4.15Å; I317-P360 HydrophobicContact CG2-CG 4.07Å; I317-F363 HydrophobicContact CG2-CD2 3.43Å; I317-F363 VanDerWaalsContact CG2-CD2 3.43Å; I317-F363 HydrophobicContact CG2-CE2 3.97Å; I317-F363 HydrophobicContact CG2-CG 4.42Å
318	S	97.3	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110	177.1	-166.4	0	0	0	0	111	N157 E327 Q331 G342 F344	N157-S318 PolarHBondContact ND2-OG 3.39Å; S318-E327 WeakPolarHBondContact CA-OE1 3.42Å; S318-E327 WeakPolarHBondContact CB-OE1 3.43Å; S318-E327 PolarHBondContact OG-OE1 3.24Å; S318-Q331 PolarHBondContact OG-NE2 3.35Å; S318-G342 PolarHBondContact N-O 3.32Å; S318-F344 WeakPolarHBondContact O-CD1 3.29Å; S318-F344 PolarHBondContact O-N 2.87Å; S318-F344 VanDerWaalsContact O-N 3.07Å
319	Y	93	Very high	94.4	Very high	17 Å²	17	25.7 Å²	25.7	7%	0.067	13%	0.13	C	C	.	.			trans	-141.7	-16.5	174.8	77.7	-77.1	0	0	0	112.8	I317 I348 L351 F363 P364 V365 L369	I317-Y319 HydrophobicContact CG1-CD1 4.47Å; I317-Y319 HydrophobicContact CG2-CD1 4.45Å; Y319-I348 HydrophobicContact CD2-CD1 3.9Å; Y319-I348 HydrophobicContact CE2-CD1 4.35Å; Y319-L351 HydrophobicContact CD1-CD1 4.31Å; Y319-L351 HydrophobicContact CD2-CD1 4.45Å; Y319-L351 HydrophobicContact CD2-CD2 3.83Å; Y319-L351 HydrophobicContact CE2-CD2 3.94Å; Y319-L351 HydrophobicContact CG-CD1 3.99Å; Y319-L351 HydrophobicContact CG-CD2 4.15Å; Y319-F363 HydrophobicContact CD1-CE2 4.27Å; Y319-F363 HydrophobicContact CE1-CD2 4.05Å; Y319-F363 AromaticContact CE1-CE2 3.47Å; Y319-F363 HydrophobicContact CE1-CE2 3.47Å; Y319-F363 VanDerWaalsContact CE1-CE2 3.47Å; Y319-F363 HydrophobicContact CE1-CZ 4.43Å; Y319-F363 AromaticContact CZ-CE2 3.91Å; Y319-P364 VanDerWaalsContact CE1-O 3.23Å; Y319-P364 WeakPolarHBondContact CE1-O 2.98Å; Y319-P364 PolarHBondContact OH-O 3.29Å; Y319-V365 WeakPolarHBondContact OH-CA 3.28Å; Y319-L369 HydrophobicContact CE2-CD2 4.31Å
320	L	90.1	Very high	94.6	Very high	15 Å²	15	23.5 Å²	23.5	8%	0.079	12%	0.12	C	C	.	.	S	Bend	trans	-75.5	134.7	172	-64.5	179.1	0	0	0	108.8	N157 L322 F326 E327 P364 V366	N157-L320 PolarHBondContact ND2-O 2.84Å; L320-L322 PolarHBondContact O-N 3.09Å; L320-F326 HydrophobicContact CD1-CD1 3.93Å; L320-F326 HydrophobicContact CD1-CE1 3.95Å; L320-E327 HydrophobicContact CB-CB 4.05Å; L320-E327 HydrophobicContact CB-CG 4.41Å; L320-E327 VanDerWaalsContact O-CG 3.29Å; L320-E327 WeakPolarHBondContact O-CG 3.41Å; L320-P364 HydrophobicContact CD1-CB 3.85Å; L320-P364 HydrophobicContact CD1-CG 4.02Å; L320-V366 HydrophobicContact CD2-CG1 3.81Å
321	P	88.4	Confident	94.7	Very high	55 Å²	55	23.3 Å²	23.3	36%	0.357	12%	0.119	S	C	.	.			trans	-51.9	128.1	-172	-28.3	34.3	0	0	0	113.5	N157 Y179 A323 H324	N157-P321 WeakPolarHBondContact OD1-CA 3.2Å; Y179-P321 HydrophobicContact CD1-CB 4.4Å; Y179-P321 HydrophobicContact CE1-CB 4.26Å; P321-A323 PolarHBondContact O-N 3.08Å; P321-H324 VanDerWaalsContact O-CB 3.28Å; P321-H324 WeakPolarHBondContact O-CB 3.47Å; P321-H324 PolarHBondContact O-N 3.44Å
322	L	92.1	Very high	94.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.5	178	-71.1	161.6	0	0	0	114.1	N157 W161 L320 H324 E327 R328 Q331 Y343	N157-L322 HydrophobicContact CB-CD1 3.91Å; N157-L322 HydrophobicContact CB-CG 4.37Å; N157-L322 PolarHBondContact OD1-N 3.39Å; N157-L322 VanDerWaalsContact OD1-N 3.12Å; W161-L322 HydrophobicContact CB-CD1 3.93Å; W161-L322 HydrophobicContact CD2-CB 3.98Å; W161-L322 HydrophobicContact CD2-CD1 4.05Å; W161-L322 VanDerWaalsContact CE2-CB 3.42Å; W161-L322 HydrophobicContact CG-CB 4.19Å; W161-L322 HydrophobicContact CG-CD1 3.47Å; W161-L322 VanDerWaalsContact CG-CD1 3.47Å; W161-L322 HydrophobicContact CG-CG 4.44Å; W161-L322 HydrophobicContact CZ2-CB 3.8Å; W161-L322 VanDerWaalsContact NE1-CB 3.28Å; L320-L322 PolarHBondContact O-N 3.09Å; L322-H324 PolarHBondContact O-N 3.22Å; L322-E327 HydrophobicContact CD2-CB 4.5Å; L322-E327 HydrophobicContact CD2-CG 3.51Å; L322-E327 HydrophobicContact CG-CG 4.28Å; L322-R328 VanDerWaalsContact O-CD 3.3Å; L322-R328 WeakPolarHBondContact O-CD 3.26Å; L322-R328 WeakPolarHBondContact O-CG 3.48Å; L322-R328 PolarHBondContact O-NE 2.85Å; L322-Q331 HydrophobicContact CD2-CG 4.48Å; L322-Y343 HydrophobicContact CD1-CE1 4.04Å
323	A	88.5	Confident	94.8	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.025	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.7	167	0	0	0	0	0	113.4	W161 P177 Y179 P321	W161-A323 HydrophobicContact CH2-CB 4.46Å; P177-A323 HydrophobicContact CB-CB 3.86Å; P177-A323 HydrophobicContact CG-CB 4.41Å; Y179-A323 HydrophobicContact CD1-CB 3.86Å; Y179-A323 HydrophobicContact CD2-CB 3.76Å; Y179-A323 HydrophobicContact CE1-CB 3.92Å; Y179-A323 HydrophobicContact CE2-CB 3.81Å; Y179-A323 HydrophobicContact CG-CB 3.77Å; Y179-A323 PolarHBondContact OH-O 3.43Å; P321-A323 PolarHBondContact O-N 3.08Å
324	H	89.2	Confident	94.9	Very high	39 Å²	39	10.6 Å²	10.6	18%	0.181	6%	0.057	C	C	.	.	S	Bend	trans	-97	132	179.6	-167.3	-83.8	0	0	0	111.3	Y179 P321 L322 F326 E327	Y179-H324 HydrophobicContact CE1-CB 4.32Å; Y179-H324 WeakPolarHBondContact OH-CA 3.42Å; Y179-H324 WeakPolarHBondContact OH-CB 3.23Å; Y179-H324 PolarHBondContact OH-CD2 2.86Å; P321-H324 VanDerWaalsContact O-CB 3.28Å; P321-H324 WeakPolarHBondContact O-CB 3.47Å; P321-H324 PolarHBondContact O-N 3.44Å; L322-H324 PolarHBondContact O-N 3.22Å; H324-F326 VanDerWaalsContact ND1-CB 3.32Å; H324-F326 WeakPolarHBondContact ND1-CB 3.08Å; H324-F326 PolarHBondContact ND1-N 3Å; H324-F326 PolarHBondContact O-N 3.27Å; H324-F326 VanDerWaalsContact O-N 3.14Å; H324-E327 PolarHBondContact O-N 3.1Å
325	M	93.9	Very high	94.9	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-61.6	-27.6	-174.2	-78.2	-53.9	-54.5	0	0	114.6	V272 C274 L288 V293 E327 R328 V329 T461 T464 A465	V272-M325 HydrophobicContact CG1-SD 3.93Å; C274-M325 VanDerWaalsContact SG-SD 3.6Å; L288-M325 HydrophobicContact CD1-CE 4.04Å; L288-M325 HydrophobicContact CD1-CG 3.6Å; L288-M325 HydrophobicContact CD1-SD 3.51Å; L288-M325 VanDerWaalsContact CD1-SD 3.51Å; V293-M325 HydrophobicContact CG2-CE 3.88Å; M325-E327 PolarHBondContact O-N 3.49Å; M325-R328 HydrophobicContact CE-CB 4.28Å; M325-R328 PolarHBondContact O-N 3.09Å; M325-R328 HydrophobicContact SD-CB 4.46Å; M325-V329 HydrophobicContact CE-CG2 4.24Å; M325-V329 WeakPolarHBondContact O-CG2 3.4Å; M325-V329 PolarHBondContact O-N 2.78Å; M325-T461 HydrophobicContact CG-CG2 4Å; M325-T464 HydrophobicContact CE-CG2 3.75Å; M325-A465 HydrophobicContact CB-CB 4.1Å
326	F	92.5	Very high	94.9	Very high	31 Å²	31	11.1 Å²	11.1	14%	0.136	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-49.6	178	-178.1	-153	0	0	0	112.4	L320 H324 R328 V329 V330 P364 I432 A465	L320-F326 HydrophobicContact CD1-CD1 3.93Å; L320-F326 HydrophobicContact CD1-CE1 3.95Å; H324-F326 VanDerWaalsContact ND1-CB 3.32Å; H324-F326 WeakPolarHBondContact ND1-CB 3.08Å; H324-F326 PolarHBondContact ND1-N 3Å; H324-F326 PolarHBondContact O-N 3.27Å; H324-F326 VanDerWaalsContact O-N 3.14Å; F326-R328 VanDerWaalsContact C-N 3.32Å; F326-R328 PolarHBondContact O-N 2.81Å; F326-V329 PolarHBondContact O-N 3.38Å; F326-V330 HydrophobicContact CD2-CG2 4.07Å; F326-V330 HydrophobicContact CE2-CG2 3.81Å; F326-V330 WeakPolarHBondContact O-CG2 3.35Å; F326-V330 PolarHBondContact O-N 3.37Å; F326-V330 VanDerWaalsContact O-N 3.16Å; F326-P364 HydrophobicContact CE1-CB 4.22Å; F326-P364 HydrophobicContact CZ-CB 3.93Å; F326-I432 HydrophobicContact CE2-CB 4.38Å; F326-I432 HydrophobicContact CE2-CG2 3.95Å; F326-I432 HydrophobicContact CZ-CB 4.08Å; F326-I432 HydrophobicContact CZ-CG2 3.83Å; F326-A465 HydrophobicContact CB-CB 4.41Å
327	E	94.4	Very high	94.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-41.5	178.7	179	66.3	-174.7	0	0	111.2	H316 S318 L320 L322 H324 M325 V329 V330 Q331	H316-E327 IonicContact CD2-OE1 2.86Å; H316-E327 IonicContact CE1-OE1 3.59Å; H316-E327 IonicContact CE1-OE2 2.86Å; H316-E327 IonicContact NE2-OE1 2.89Å; H316-E327 PolarHBondContact NE2-OE1 3.08Å; H316-E327 IonicContact NE2-OE2 3.99Å; S318-E327 WeakPolarHBondContact CA-OE1 3.42Å; S318-E327 WeakPolarHBondContact CB-OE1 3.43Å; S318-E327 PolarHBondContact OG-OE1 3.24Å; L320-E327 HydrophobicContact CB-CB 4.05Å; L320-E327 HydrophobicContact CB-CG 4.41Å; L320-E327 VanDerWaalsContact O-CG 3.29Å; L320-E327 WeakPolarHBondContact O-CG 3.41Å; L322-E327 HydrophobicContact CD2-CB 4.5Å; L322-E327 HydrophobicContact CD2-CG 3.51Å; L322-E327 HydrophobicContact CG-CG 4.28Å; H324-E327 PolarHBondContact O-N 3.1Å; M325-E327 PolarHBondContact O-N 3.49Å; E327-V329 PolarHBondContact O-N 3.32Å; E327-V330 WeakPolarHBondContact O-CB 3.28Å; E327-V330 PolarHBondContact O-N 3.41Å; E327-Q331 WeakPolarHBondContact O-CG 3.46Å; E327-Q331 PolarHBondContact O-N 2.89Å
328	R	95.5	Very high	94.9	Very high	13 Å²	13	11.8 Å²	11.8	5%	0.049	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-43.9	179.7	-71.7	170.2	149.1	-112.8	-5.8	112.8	E165 Y169 L322 M325 F326 V330 Q331 G332	E165-R328 IonicContact OE1-CZ 3.67Å; E165-R328 IonicContact OE1-NE 2.86Å; E165-R328 IonicContact OE1-NH1 2.76Å; E165-R328 PolarHBondContact OE1-NH1 2.84Å; E165-R328 IonicContact OE1-NH2 3.74Å; E165-R328 PolarHBondContact OE1-NH2 3.42Å; E165-R328 IonicContact OE2-CZ 2.62Å; E165-R328 IonicContact OE2-NH2 3.63Å; E165-R328 PolarHBondContact OE2-NH2 3.04Å; Y169-R328 PolarHBondContact OH-NH1 3.47Å; Y169-R328 VanDerWaalsContact OH-NH1 3.15Å; L322-R328 VanDerWaalsContact O-CD 3.3Å; L322-R328 WeakPolarHBondContact O-CD 3.26Å; L322-R328 WeakPolarHBondContact O-CG 3.48Å; L322-R328 PolarHBondContact O-NE 2.85Å; M325-R328 HydrophobicContact CE-CB 4.28Å; M325-R328 PolarHBondContact O-N 3.09Å; M325-R328 HydrophobicContact SD-CB 4.46Å; F326-R328 VanDerWaalsContact C-N 3.32Å; F326-R328 PolarHBondContact O-N 2.81Å; R328-V330 VanDerWaalsContact C-N 3.34Å; R328-Q331 PolarHBondContact O-N 2.87Å; R328-G332 PolarHBondContact O-N 3.1Å
329	V	97	Very high	95	Very high	8 Å²	8	11.8 Å²	11.8	5%	0.048	6%	0.064	C	C	.	.	H	α-helix	trans	-64.8	-41	176.1	173	0	0	0	0	110.6	N296 M325 F326 E327 Q331 G332 V333 T464 A465	N296-V329 HydrophobicContact CB-CG1 4.37Å; N296-V329 HydrophobicContact CB-CG2 4.3Å; M325-V329 HydrophobicContact CE-CG2 4.24Å; M325-V329 WeakPolarHBondContact O-CG2 3.4Å; M325-V329 PolarHBondContact O-N 2.78Å; F326-V329 PolarHBondContact O-N 3.38Å; E327-V329 PolarHBondContact O-N 3.32Å; V329-Q331 PolarHBondContact O-N 3.01Å; V329-G332 PolarHBondContact O-N 2.99Å; V329-V333 WeakPolarHBondContact O-CG2 3.2Å; V329-V333 PolarHBondContact O-N 3.14Å; V329-T464 HydrophobicContact CG2-CG2 4.24Å; V329-A465 HydrophobicContact CB-CB 4.42Å; V329-A465 HydrophobicContact CG2-CB 3.94Å
330	V	96.9	Very high	95.2	Very high	13 Å²	13	14 Å²	14	8%	0.079	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-47.1	174.6	173	0	0	0	0	110.6	F326 E327 R328 G332 V333 I334 P364	F326-V330 HydrophobicContact CD2-CG2 4.07Å; F326-V330 HydrophobicContact CE2-CG2 3.81Å; F326-V330 WeakPolarHBondContact O-CG2 3.35Å; F326-V330 PolarHBondContact O-N 3.37Å; F326-V330 VanDerWaalsContact O-N 3.16Å; E327-V330 WeakPolarHBondContact O-CB 3.28Å; E327-V330 PolarHBondContact O-N 3.41Å; R328-V330 VanDerWaalsContact C-N 3.34Å; V330-G332 VanDerWaalsContact C-N 3.31Å; V330-G332 PolarHBondContact O-N 3.4Å; V330-V333 PolarHBondContact O-N 3.05Å; V330-V333 VanDerWaalsContact O-N 3.14Å; V330-I334 HydrophobicContact CG1-CG1 4.4Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.38Å; V330-I334 PolarHBondContact O-N 2.91Å; V330-P364 HydrophobicContact CG1-CG 4.28Å; V330-P364 HydrophobicContact CG2-CB 4.3Å
331	Q	97.6	Very high	95.6	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.033	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-39.3	175.5	-69.8	-159.3	-4.6	0	0	112.4	T162 S318 L322 E327 R328 V329 V333 I334 L335 I341 Y343	T162-Q331 PolarHBondContact OG1-OE1 2.83Å; S318-Q331 PolarHBondContact OG-NE2 3.35Å; L322-Q331 HydrophobicContact CD2-CG 4.48Å; E327-Q331 WeakPolarHBondContact O-CG 3.46Å; E327-Q331 PolarHBondContact O-N 2.89Å; R328-Q331 PolarHBondContact O-N 2.87Å; V329-Q331 PolarHBondContact O-N 3.01Å; Q331-V333 VanDerWaalsContact C-N 3.32Å; Q331-V333 PolarHBondContact O-N 3.39Å; Q331-I334 PolarHBondContact O-N 3.19Å; Q331-I334 VanDerWaalsContact O-N 3.1Å; Q331-L335 HydrophobicContact CB-CD1 4.45Å; Q331-L335 WeakPolarHBondContact O-CB 3.35Å; Q331-L335 VanDerWaalsContact O-CG 3.26Å; Q331-L335 WeakPolarHBondContact O-CG 2.99Å; Q331-L335 PolarHBondContact O-N 3.42Å; Q331-I341 HydrophobicContact CB-CD1 3.99Å; Q331-I341 HydrophobicContact CG-CD1 3.71Å; Q331-Y343 PolarHBondContact NE2-OH 3.44Å
332	G	97.6	Very high	96.1	Very high	7 Å²	7	10.6 Å²	10.6	7%	0.072	5%	0.051	C	C	.	.	H	α-helix	trans	-56.5	-43.9	173	0	0	0	0	0	112.8	R328 V329 V330 I334 I336	R328-G332 PolarHBondContact O-N 3.1Å; V329-G332 PolarHBondContact O-N 2.99Å; V330-G332 VanDerWaalsContact C-N 3.31Å; V330-G332 PolarHBondContact O-N 3.4Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I336 WeakPolarHBondContact O-CB 3.33Å; G332-I336 WeakPolarHBondContact O-CG2 3.48Å; G332-I336 PolarHBondContact O-N 2.91Å; G332-I336 VanDerWaalsContact O-N 3.09Å
333	V	97.9	Very high	96.4	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.03	5%	0.051	C	C	.	.	H	α-helix	trans	-67.3	-34.1	175.7	-176.3	0	0	0	0	111.6	T297 F300 I301 L310 V329 V330 Q331 I336 H337	T297-V333 HydrophobicContact CG2-CB 4.48Å; T297-V333 HydrophobicContact CG2-CG2 3.78Å; F300-V333 HydrophobicContact CB-CG2 4.31Å; F300-V333 HydrophobicContact CD1-CB 4.4Å; F300-V333 HydrophobicContact CD1-CG1 3.83Å; F300-V333 HydrophobicContact CD1-CG2 3.74Å; F300-V333 HydrophobicContact CE1-CG1 4.06Å; F300-V333 HydrophobicContact CE1-CG2 4.5Å; F300-V333 HydrophobicContact CG-CG2 4.26Å; I301-V333 HydrophobicContact CG1-CG1 4.1Å; L310-V333 HydrophobicContact CD1-CG1 3.68Å; L310-V333 HydrophobicContact CG-CG1 4.34Å; V329-V333 WeakPolarHBondContact O-CG2 3.2Å; V329-V333 PolarHBondContact O-N 3.14Å; V330-V333 PolarHBondContact O-N 3.05Å; V330-V333 VanDerWaalsContact O-N 3.14Å; Q331-V333 VanDerWaalsContact C-N 3.32Å; Q331-V333 PolarHBondContact O-N 3.39Å; V333-I336 WeakPolarHBondContact O-CG2 3.37Å; V333-H337 PolarHBondContact O-ND1 3.22Å
334	I	98.4	Very high	96.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.9	-51.5	177.6	-65.3	-71.9	0	0	0	110.6	L310 H316 V330 Q331 G332 I336 H337 A339 I341 V362	L310-I334 HydrophobicContact CD1-CD1 3.6Å; L310-I334 HydrophobicContact CD1-CG1 4.43Å; H316-I334 HydrophobicContact CB-CD1 3.6Å; H316-I334 HydrophobicContact CB-CG1 3.68Å; H316-I334 HydrophobicContact CB-CG2 4.33Å; V330-I334 HydrophobicContact CG1-CG1 4.4Å; V330-I334 VanDerWaalsContact O-CG1 3.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.38Å; V330-I334 PolarHBondContact O-N 2.91Å; Q331-I334 PolarHBondContact O-N 3.19Å; Q331-I334 VanDerWaalsContact O-N 3.1Å; G332-I334 VanDerWaalsContact C-N 3.34Å; I334-I336 PolarHBondContact O-N 3.28Å; I334-H337 PolarHBondContact O-N 2.81Å; I334-A339 HydrophobicContact CG2-CB 3.75Å; I334-A339 WeakPolarHBondContact O-CB 3.14Å; I334-A339 PolarHBondContact O-N 3.2Å; I334-I341 HydrophobicContact CB-CG1 4.42Å; I334-I341 HydrophobicContact CG2-CD1 4.28Å; I334-I341 HydrophobicContact CG2-CG1 3.65Å; I334-V362 HydrophobicContact CD1-CB 4.19Å; I334-V362 HydrophobicContact CD1-CG1 4.43Å; I334-V362 HydrophobicContact CD1-CG2 4Å
335	L	98.4	Very high	96.9	Very high	13 Å²	13	11.9 Å²	11.9	7%	0.068	6%	0.056	C	C	.	.	H	α-helix	trans	-68.2	-38.1	-173.6	-66	168.4	0	0	0	112.1	V96 F97 G100 Y124 Q331 H337 G338 I341	V96-L335 HydrophobicContact CG1-CB 4.16Å; F97-L335 HydrophobicContact CD2-CD1 4.09Å; F97-L335 HydrophobicContact CD2-CD2 4.33Å; F97-L335 HydrophobicContact CE2-CD1 4.33Å; F97-L335 HydrophobicContact CE2-CD2 4Å; G100-L335 WeakPolarHBondContact CA-O 3.2Å; Y124-L335 HydrophobicContact CE1-CD2 4.1Å; Q331-L335 HydrophobicContact CB-CD1 4.45Å; Q331-L335 WeakPolarHBondContact O-CB 3.35Å; Q331-L335 VanDerWaalsContact O-CG 3.26Å; Q331-L335 WeakPolarHBondContact O-CG 2.99Å; Q331-L335 PolarHBondContact O-N 3.42Å; L335-H337 PolarHBondContact O-N 3.05Å; L335-H337 VanDerWaalsContact O-N 3.1Å; L335-G338 PolarHBondContact O-N 2.94Å; L335-I341 HydrophobicContact CD1-CD1 4.23Å; L335-I341 HydrophobicContact CD2-CD1 3.92Å; L335-I341 HydrophobicContact CG-CD1 3.98Å
336	I	98.1	Very high	96.6	Very high	5 Å²	5	13 Å²	13	3%	0.026	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.7	178.7	-158.2	175	0	0	0	113.3	Y87 A90 V96 R99 I301 G332 V333 I334	Y87-I336 HydrophobicContact CD2-CD1 3.6Å; Y87-I336 HydrophobicContact CD2-CG1 3.98Å; Y87-I336 HydrophobicContact CE2-CD1 4.19Å; Y87-I336 HydrophobicContact CE2-CG1 4.33Å; A90-I336 HydrophobicContact CB-CD1 3.94Å; A90-I336 HydrophobicContact CB-CG1 4.21Å; V96-I336 HydrophobicContact CB-CB 4.46Å; V96-I336 HydrophobicContact CB-CG1 4.47Å; V96-I336 HydrophobicContact CG1-CB 3.8Å; V96-I336 HydrophobicContact CG1-CG1 4.33Å; V96-I336 HydrophobicContact CG2-CB 4.27Å; V96-I336 HydrophobicContact CG2-CD1 3.81Å; V96-I336 HydrophobicContact CG2-CG1 4.02Å; R99-I336 HydrophobicContact CG-CG1 4.43Å; I301-I336 HydrophobicContact CD1-CD1 4.4Å; I301-I336 HydrophobicContact CD1-CG2 3.93Å; G332-I336 WeakPolarHBondContact O-CB 3.33Å; G332-I336 WeakPolarHBondContact O-CG2 3.48Å; G332-I336 PolarHBondContact O-N 2.91Å; G332-I336 VanDerWaalsContact O-N 3.09Å; V333-I336 WeakPolarHBondContact O-CG2 3.37Å; I334-I336 PolarHBondContact O-N 3.28Å
337	H	98.2	Very high	96.3	Very high	11 Å²	11	13.3 Å²	13.3	5%	0.051	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	5	177.6	-66.6	95.3	0	0	0	113.6	M309 L310 L312 V333 I334 L335 A339	M309-H337 WeakPolarHBondContact CE-NE2 3.43Å; L310-H337 HydrophobicContact CB-CB 4.13Å; L310-H337 PolarHBondContact O-CD2 3.43Å; L312-H337 PolarHBondContact N-O 3.03Å; V333-H337 PolarHBondContact O-ND1 3.22Å; I334-H337 PolarHBondContact O-N 2.81Å; L335-H337 PolarHBondContact O-N 3.05Å; L335-H337 VanDerWaalsContact O-N 3.1Å; H337-A339 PolarHBondContact O-N 3.16Å
338	G	98.3	Very high	95.7	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	17.8	-178.1	0	0	0	0	0	113.8	G100 S104 Y124 L335	G100-G338 WeakPolarHBondContact O-CA 3.35Å; S104-G338 WeakPolarHBondContact CB-O 3.43Å; Y124-G338 VanDerWaalsContact OH-C 3.25Å; Y124-G338 WeakPolarHBondContact OH-CA 3.46Å; L335-G338 PolarHBondContact O-N 2.94Å
339	A	98.5	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.			trans	-79.3	-177.8	177.6	0	0	0	0	0	111	Y124 N311 D314 I334 H337	Y124-A339 PolarHBondContact OH-N 3.5Å; Y124-A339 PolarHBondContact OH-O 3.2Å; N311-A339 WeakPolarHBondContact O-CB 3.26Å; D314-A339 HydrophobicContact CB-CB 3.96Å; D314-A339 WeakPolarHBondContact O-CB 3.4Å; I334-A339 HydrophobicContact CG2-CB 3.75Å; I334-A339 WeakPolarHBondContact O-CB 3.14Å; I334-A339 PolarHBondContact O-N 3.2Å; H337-A339 PolarHBondContact O-N 3.16Å
340	R	98.4	Very high	94.9	Very high	63 Å²	63	29 Å²	29	24%	0.238	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.2	-172.8	64.9	-172.5	162.7	173.6	-5.4	114.1	P108 C109 W121 D314 I315 H316	P108-R340 VanDerWaalsContact O-CB 3.31Å; P108-R340 WeakPolarHBondContact O-CB 3.4Å; C109-R340 CarbonylContact O-C 3.59Å; C109-R340 WeakPolarHBondContact O-CA 3.38Å; C109-R340 WeakPolarHBondContact O-CB 3.37Å; W121-R340 HydrophobicContact CE3-CB 4.18Å; W121-R340 HydrophobicContact CE3-CG 4.43Å; W121-R340 HydrophobicContact CH2-CB 4.24Å; W121-R340 HydrophobicContact CH2-CG 3.81Å; W121-R340 HydrophobicContact CZ3-CB 3.62Å; W121-R340 HydrophobicContact CZ3-CG 3.71Å; D314-R340 PolarHBondContact O-N 3.44Å; D314-R340 VanDerWaalsContact O-N 3.16Å; I315-R340 WeakPolarHBondContact CA-O 3.23Å; I315-R340 HydrophobicContact CB-CG 4.32Å; I315-R340 HydrophobicContact CD1-CG 4.41Å; I315-R340 VanDerWaalsContact CD1-NE 3.27Å; I315-R340 HydrophobicContact CG1-CG 3.83Å; I315-R340 HydrophobicContact CG2-CG 4.19Å; H316-R340 PolarHBondContact N-O 2.98Å
341	I	98.8	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.1	-175.4	-58	167.8	0	0	0	108.8	C109 L110 G111 W121 Q331 I334 L335 Y343	C109-I341 PolarHBondContact O-N 3.48Å; L110-I341 CarbonylContact C-O 3.58Å; L110-I341 WeakPolarHBondContact CA-O 3.41Å; L110-I341 HydrophobicContact CD2-CB 4.14Å; L110-I341 HydrophobicContact CD2-CD1 4.13Å; G111-I341 PolarHBondContact N-O 3.33Å; W121-I341 WeakPolarHBondContact CZ3-O 3.23Å; Q331-I341 HydrophobicContact CB-CD1 3.99Å; Q331-I341 HydrophobicContact CG-CD1 3.71Å; I334-I341 HydrophobicContact CB-CG1 4.42Å; I334-I341 HydrophobicContact CG2-CD1 4.28Å; I334-I341 HydrophobicContact CG2-CG1 3.65Å; L335-I341 HydrophobicContact CD1-CD1 4.23Å; L335-I341 HydrophobicContact CD2-CD1 3.92Å; L335-I341 HydrophobicContact CG-CD1 3.98Å; I341-Y343 HydrophobicContact CB-CE2 4.49Å; I341-Y343 HydrophobicContact CG2-CD2 4.45Å; I341-Y343 HydrophobicContact CG2-CE1 4.37Å; I341-Y343 HydrophobicContact CG2-CE2 3.93Å
342	G	98.5	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.8	167.1	0	0	0	0	0	110.2	G111 H316 I317 S318	G111-G342 CarbonylContact O-C 3.57Å; G111-G342 WeakPolarHBondContact O-CA 3.24Å; H316-G342 PolarHBondContact O-N 2.87Å; I317-G342 CarbonylContact C-O 3.51Å; I317-G342 WeakPolarHBondContact CA-O 3.09Å; S318-G342 PolarHBondContact N-O 3.32Å
343	Y	98.1	Very high	94	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.4	175.6	-68.1	-86.6	0	0	0	111	L110 G111 Y119 N157 R158 P159 T162 L322 Q331 I341	L110-Y343 HydrophobicContact CB-CE2 4.14Å; L110-Y343 HydrophobicContact CD2-CE2 4.07Å; G111-Y343 WeakPolarHBondContact O-CD2 3.32Å; G111-Y343 PolarHBondContact O-N 3.47Å; Y119-Y343 WeakPolarHBondContact CE1-O 3.31Å; Y119-Y343 PolarHBondContact OH-O 3.47Å; N157-Y343 HydrophobicContact CB-CD1 3.88Å; N157-Y343 HydrophobicContact CB-CE1 4.3Å; R158-Y343 VanDerWaalsContact CA-CD1 3.45Å; R158-Y343 VanDerWaalsContact N-CD1 3.31Å; R158-Y343 WeakPolarHBondContact O-CE1 3.49Å; P159-Y343 HydrophobicContact CB-CD2 4.48Å; P159-Y343 HydrophobicContact CB-CE2 4.31Å; P159-Y343 HydrophobicContact CG-CD2 3.69Å; P159-Y343 HydrophobicContact CG-CE2 4Å; P159-Y343 HydrophobicContact CG-CG 4.49Å; T162-Y343 WeakPolarHBondContact CB-OH 3.22Å; T162-Y343 PolarHBondContact OG1-OH 2.65Å; L322-Y343 HydrophobicContact CD1-CE1 4.04Å; Q331-Y343 PolarHBondContact NE2-OH 3.44Å; I341-Y343 HydrophobicContact CB-CE2 4.49Å; I341-Y343 HydrophobicContact CG2-CD2 4.45Å; I341-Y343 HydrophobicContact CG2-CE1 4.37Å; I341-Y343 HydrophobicContact CG2-CE2 3.93Å
344	F	95.4	Very high	93.9	Very high	25 Å²	25	32 Å²	32	11%	0.11	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-68.8	165.7	170	85.5	-43.2	0	0	0	111.3	N157 I317 S318 G346 L351 D354	N157-F344 HydrophobicContact CB-CD1 4.29Å; N157-F344 HydrophobicContact CB-CE1 3.96Å; I317-F344 HydrophobicContact CD1-CB 4.3Å; S318-F344 WeakPolarHBondContact O-CD1 3.29Å; S318-F344 PolarHBondContact O-N 2.87Å; S318-F344 VanDerWaalsContact O-N 3.07Å; F344-G346 PolarHBondContact O-N 2.78Å; F344-G346 VanDerWaalsContact O-N 3.12Å; F344-L351 HydrophobicContact CB-CD1 4.35Å; F344-D354 WeakPolarHBondContact CA-OD2 3.22Å; F344-D354 WeakPolarHBondContact CB-OD2 3.48Å
345	Q	93.3	Very high	93.8	Very high	43 Å²	43	32 Å²	32	20%	0.201	15%	0.153	C	C	.	.			trans	-76.4	8.6	-175.8	-68.9	176.9	-123.8	0	0	115.5	R113 D347 D354	R113-Q345 HydrophobicContact CG-CG 3.9Å; Q345-D347 VanDerWaalsContact C-N 3.33Å; Q345-D347 PolarHBondContact O-N 2.87Å; Q345-D354 VanDerWaalsContact CG-OD1 3.29Å; Q345-D354 WeakPolarHBondContact CG-OD1 3.27Å; Q345-D354 PolarHBondContact N-OD2 3.39Å; Q345-D354 PolarHBondContact OE1-OD1 2.79Å
346	G	86.8	Confident	93.6	Very high	24 Å²	24	37.2 Å²	37.2	25%	0.247	18%	0.175	C	C	.	.	S	Bend	trans	90.4	-17.9	-176.1	0	0	0	0	0	114.7	F344	F344-G346 PolarHBondContact O-N 2.78Å; F344-G346 VanDerWaalsContact O-N 3.12Å
347	D	85.5	Confident	93.6	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.203	19%	0.19	C	C	.	.			trans	-111.9	114.9	179.3	-171.7	-13.3	0	0	0	112.1	Q345 R349 L350	Q345-D347 VanDerWaalsContact C-N 3.33Å; Q345-D347 PolarHBondContact O-N 2.87Å; D347-R349 PolarHBondContact O-N 2.82Å; D347-R349 VanDerWaalsContact O-N 3.11Å; D347-R349 VanDerWaalsContact OD1-CB 3.24Å; D347-R349 WeakPolarHBondContact OD1-CB 3.46Å; D347-R349 VanDerWaalsContact OD1-CG 3.32Å; D347-R349 WeakPolarHBondContact OD1-CG 3.29Å; D347-R349 IonicContact OD1-CZ 3.35Å; D347-R349 PolarHBondContact OD1-N 3.21Å; D347-R349 IonicContact OD1-NE 3.86Å; D347-R349 PolarHBondContact OD1-NE 3.09Å; D347-R349 IonicContact OD1-NH2 3.98Å; D347-R349 IonicContact OD2-CZ 2.75Å; D347-R349 IonicContact OD2-NE 3.87Å; D347-R349 PolarHBondContact OD2-NE 3.15Å; D347-R349 IonicContact OD2-NH2 3.65Å; D347-R349 PolarHBondContact OD2-NH2 3.29Å; D347-L350 HydrophobicContact CB-CD1 4.17Å; D347-L350 HydrophobicContact CB-CG 4.19Å; D347-L350 PolarHBondContact O-N 3.44Å
348	I	83.3	Confident	93.5	Very high	87 Å²	87	39.5 Å²	39.5	45%	0.446	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.3	178.9	-165.4	60.6	0	0	0	113.4	Y319 L350 L351	Y319-I348 HydrophobicContact CD2-CD1 3.9Å; Y319-I348 HydrophobicContact CE2-CD1 4.35Å; I348-L350 PolarHBondContact O-N 3.19Å; I348-L351 HydrophobicContact CD1-CB 4.18Å; I348-L351 HydrophobicContact CD1-CD2 3.66Å; I348-L351 HydrophobicContact CD1-CG 4.48Å; I348-L351 WeakPolarHBondContact O-CB 3.37Å; I348-L351 PolarHBondContact O-N 2.8Å
349	R	84.4	Confident	93.5	Very high	193 Å²	193	43.1 Å²	43.1	73%	0.728	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-67.2	-28.3	176	-60.2	173.9	-66.1	-175.8	1.9	111.6	D347	D347-R349 PolarHBondContact O-N 2.82Å; D347-R349 VanDerWaalsContact O-N 3.11Å; D347-R349 VanDerWaalsContact OD1-CB 3.24Å; D347-R349 WeakPolarHBondContact OD1-CB 3.46Å; D347-R349 VanDerWaalsContact OD1-CG 3.32Å; D347-R349 WeakPolarHBondContact OD1-CG 3.29Å; D347-R349 IonicContact OD1-CZ 3.35Å; D347-R349 PolarHBondContact OD1-N 3.21Å; D347-R349 IonicContact OD1-NE 3.86Å; D347-R349 PolarHBondContact OD1-NE 3.09Å; D347-R349 IonicContact OD1-NH2 3.98Å; D347-R349 IonicContact OD2-CZ 2.75Å; D347-R349 IonicContact OD2-NE 3.87Å; D347-R349 PolarHBondContact OD2-NE 3.15Å; D347-R349 IonicContact OD2-NH2 3.65Å; D347-R349 PolarHBondContact OD2-NH2 3.29Å
350	L	89.9	Confident	93.5	Very high	71 Å²	71	43.1 Å²	43.1	37%	0.372	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-91.6	-4.1	179.2	-59	-179.8	0	0	0	113.3	D347 I348 M352 D353 D354	D347-L350 HydrophobicContact CB-CD1 4.17Å; D347-L350 HydrophobicContact CB-CG 4.19Å; D347-L350 PolarHBondContact O-N 3.44Å; I348-L350 PolarHBondContact O-N 3.19Å; L350-M352 PolarHBondContact O-N 2.76Å; L350-D353 WeakPolarHBondContact O-CA 3.48Å; L350-D353 VanDerWaalsContact O-CB 3.27Å; L350-D353 WeakPolarHBondContact O-CB 3.48Å; L350-D353 PolarHBondContact O-N 3.14Å; L350-D354 PolarHBondContact O-N 3.12Å; L350-D354 VanDerWaalsContact O-N 3.15Å
351	L	90.6	Very high	93.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-53.3	-37	-177	179.5	63.4	0	0	0	113.3	I317 Y319 F344 I348 D353 D354 L355 L369	I317-L351 HydrophobicContact CG1-CD1 4.21Å; Y319-L351 HydrophobicContact CD1-CD1 4.31Å; Y319-L351 HydrophobicContact CD2-CD1 4.45Å; Y319-L351 HydrophobicContact CD2-CD2 3.83Å; Y319-L351 HydrophobicContact CE2-CD2 3.94Å; Y319-L351 HydrophobicContact CG-CD1 3.99Å; Y319-L351 HydrophobicContact CG-CD2 4.15Å; F344-L351 HydrophobicContact CB-CD1 4.35Å; I348-L351 HydrophobicContact CD1-CB 4.18Å; I348-L351 HydrophobicContact CD1-CD2 3.66Å; I348-L351 HydrophobicContact CD1-CG 4.48Å; I348-L351 WeakPolarHBondContact O-CB 3.37Å; I348-L351 PolarHBondContact O-N 2.8Å; L351-D353 VanDerWaalsContact C-N 3.26Å; L351-D353 PolarHBondContact O-N 2.69Å; L351-D354 WeakPolarHBondContact O-CB 3.29Å; L351-D354 PolarHBondContact O-N 2.7Å; L351-L355 HydrophobicContact CD1-CG 4.28Å; L351-L355 HydrophobicContact CG-CD1 4.16Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 VanDerWaalsContact O-CG 3.23Å; L351-L355 WeakPolarHBondContact O-CG 3.27Å; L351-L355 PolarHBondContact O-N 2.97Å; L351-L369 HydrophobicContact CD2-CD2 3.87Å
352	M	90.1	Very high	93.4	Very high	37 Å²	37	40.9 Å²	40.9	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-25.7	178.5	-65.3	-70.1	133.4	0	0	113.1	L350 L355 K356 L369	L350-M352 PolarHBondContact O-N 2.76Å; M352-L355 HydrophobicContact CE-CD1 3.83Å; M352-L355 HydrophobicContact SD-CD1 4.14Å; M352-K356 WeakPolarHBondContact O-CD 3.32Å; M352-K356 VanDerWaalsContact O-CG 3.28Å; M352-K356 WeakPolarHBondContact O-CG 3.23Å; M352-K356 PolarHBondContact O-N 3.29Å; M352-L369 HydrophobicContact CE-CD1 4.12Å
353	D	93.6	Very high	93.3	Very high	57 Å²	57	40.9 Å²	40.9	31%	0.305	20%	0.199	S	C	.	.	H	α-helix	trans	-72.5	-47.9	170	-171.5	70.7	0	0	0	110	R113 L350 L351 L355 K356 T357	R113-D353 IonicContact CZ-OD2 3.33Å; R113-D353 VanDerWaalsContact CZ-OD2 3.27Å; R113-D353 IonicContact NH1-OD2 2.74Å; R113-D353 PolarHBondContact NH1-OD2 3.41Å; R113-D353 IonicContact NH2-OD2 3.49Å; R113-D353 PolarHBondContact NH2-OD2 3.47Å; L350-D353 WeakPolarHBondContact O-CA 3.48Å; L350-D353 VanDerWaalsContact O-CB 3.27Å; L350-D353 WeakPolarHBondContact O-CB 3.48Å; L350-D353 PolarHBondContact O-N 3.14Å; L351-D353 VanDerWaalsContact C-N 3.26Å; L351-D353 PolarHBondContact O-N 2.69Å; D353-L355 VanDerWaalsContact C-N 3.33Å; D353-L355 PolarHBondContact O-N 2.94Å; D353-K356 WeakPolarHBondContact O-CB 3.46Å; D353-K356 PolarHBondContact O-N 3.4Å; D353-T357 PolarHBondContact O-N 2.8Å; D353-T357 PolarHBondContact O-OG1 3.26Å
354	D	96	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.3	-44.9	176.2	-71.9	-32.8	0	0	0	113	R113 I317 F344 Q345 L350 L351 K356 T357 L358	R113-D354 WeakPolarHBondContact CD-OD1 3.46Å; R113-D354 IonicContact CZ-OD1 3.2Å; R113-D354 IonicContact NE-OD1 3.54Å; R113-D354 IonicContact NH1-OD1 3.87Å; R113-D354 PolarHBondContact NH1-OD1 3.19Å; I317-D354 HydrophobicContact CD1-CB 4.35Å; F344-D354 WeakPolarHBondContact CA-OD2 3.22Å; F344-D354 WeakPolarHBondContact CB-OD2 3.48Å; Q345-D354 VanDerWaalsContact CG-OD1 3.29Å; Q345-D354 WeakPolarHBondContact CG-OD1 3.27Å; Q345-D354 PolarHBondContact N-OD2 3.39Å; Q345-D354 PolarHBondContact OE1-OD1 2.79Å; L350-D354 PolarHBondContact O-N 3.12Å; L350-D354 VanDerWaalsContact O-N 3.15Å; L351-D354 WeakPolarHBondContact O-CB 3.29Å; L351-D354 PolarHBondContact O-N 2.7Å; D354-K356 VanDerWaalsContact C-N 3.31Å; D354-K356 PolarHBondContact O-N 2.74Å; D354-T357 PolarHBondContact O-N 3.07Å; D354-L358 WeakPolarHBondContact O-CB 3.32Å; D354-L358 PolarHBondContact O-N 3.36Å
355	L	95.6	Very high	92.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-38.8	176.8	-69.7	172.8	0	0	0	112.4	I317 L351 M352 D353 Q359 P360 F363 L424 G425	I317-L355 HydrophobicContact CB-CD2 4.31Å; I317-L355 HydrophobicContact CG1-CD2 4.21Å; I317-L355 HydrophobicContact CG2-CD2 3.76Å; L351-L355 HydrophobicContact CD1-CG 4.28Å; L351-L355 HydrophobicContact CG-CD1 4.16Å; L351-L355 HydrophobicContact CG-CG 4.28Å; L351-L355 VanDerWaalsContact O-CG 3.23Å; L351-L355 WeakPolarHBondContact O-CG 3.27Å; L351-L355 PolarHBondContact O-N 2.97Å; M352-L355 HydrophobicContact CE-CD1 3.83Å; M352-L355 HydrophobicContact SD-CD1 4.14Å; D353-L355 VanDerWaalsContact C-N 3.33Å; D353-L355 PolarHBondContact O-N 2.94Å; L355-Q359 WeakPolarHBondContact O-CA 3.29Å; L355-Q359 PolarHBondContact O-N 2.79Å; L355-P360 HydrophobicContact CD2-CG 3.69Å; L355-P360 WeakPolarHBondContact O-CD 3.46Å; L355-F363 HydrophobicContact CD1-CE2 4.37Å; L355-F363 HydrophobicContact CD1-CZ 4.04Å; L355-F363 HydrophobicContact CD2-CD2 4.12Å; L355-F363 HydrophobicContact CD2-CE2 3.92Å; L355-F363 HydrophobicContact CD2-CZ 4.35Å; L355-L424 HydrophobicContact CD1-CD2 3.82Å; L355-G425 WeakPolarHBondContact O-CA 3.46Å
356	K	94.9	Very high	92.2	Very high	121 Å²	121	39.3 Å²	39.3	53%	0.526	20%	0.195	S	C	.	.	H	α-helix	trans	-69.9	-40	178.3	-74	172.2	-175.5	176.6	0	111.8	M352 D353 D354 Q359	M352-K356 WeakPolarHBondContact O-CD 3.32Å; M352-K356 VanDerWaalsContact O-CG 3.28Å; M352-K356 WeakPolarHBondContact O-CG 3.23Å; M352-K356 PolarHBondContact O-N 3.29Å; D353-K356 WeakPolarHBondContact O-CB 3.46Å; D353-K356 PolarHBondContact O-N 3.4Å; D354-K356 VanDerWaalsContact C-N 3.31Å; D354-K356 PolarHBondContact O-N 2.74Å; K356-Q359 VanDerWaalsContact O-CG 3.22Å; K356-Q359 WeakPolarHBondContact O-CG 3.34Å
357	T	96.8	Very high	91.6	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	19%	0.186	S	C	.	.	H	α-helix	trans	-75.3	-43.3	-179.7	-58	0	0	0	0	112	R113 Y119 D353 D354	R113-T357 PolarHBondContact NH1-OG1 3.19Å; R113-T357 PolarHBondContact NH2-OG1 3.04Å; Y119-T357 HydrophobicContact CD2-CG2 4.21Å; Y119-T357 HydrophobicContact CE2-CG2 4.41Å; D353-T357 PolarHBondContact O-N 2.8Å; D353-T357 PolarHBondContact O-OG1 3.26Å; D354-T357 PolarHBondContact O-N 3.07Å
358	L	97.8	Very high	90.9	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-74.2	-34.3	-179.4	-171.5	62	0	0	0	112.7	Y119 W121 I315 I317 D354 P360 R427	Y119-L358 HydrophobicContact CD1-CD1 4.04Å; Y119-L358 HydrophobicContact CD2-CB 4.14Å; Y119-L358 HydrophobicContact CD2-CD1 3.71Å; Y119-L358 HydrophobicContact CE1-CD1 4.03Å; Y119-L358 HydrophobicContact CE2-CB 3.5Å; Y119-L358 HydrophobicContact CE2-CD1 3.69Å; Y119-L358 HydrophobicContact CE2-CG 4.07Å; Y119-L358 HydrophobicContact CG-CD1 3.9Å; W121-L358 HydrophobicContact CH2-CD1 3.83Å; W121-L358 HydrophobicContact CZ2-CD1 3.76Å; I315-L358 HydrophobicContact CG2-CD1 3.69Å; I315-L358 HydrophobicContact CG2-CD2 4.03Å; I315-L358 HydrophobicContact CG2-CG 3.78Å; I317-L358 HydrophobicContact CB-CD2 3.76Å; I317-L358 HydrophobicContact CD1-CD2 3.56Å; I317-L358 HydrophobicContact CG1-CD2 4.21Å; D354-L358 WeakPolarHBondContact O-CB 3.32Å; D354-L358 PolarHBondContact O-N 3.36Å; L358-P360 HydrophobicContact CD2-CB 4.43Å; L358-R427 PolarHBondContact O-NH2 3.23Å
359	Q	97.6	Very high	90.5	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.36	18%	0.182	S	C	.	.			trans	49.2	62.3	-171.5	-53.7	-172.4	-77.9	0	0	112.3	L355 K356 G425 R427	L355-Q359 WeakPolarHBondContact O-CA 3.29Å; L355-Q359 PolarHBondContact O-N 2.79Å; K356-Q359 VanDerWaalsContact O-CG 3.22Å; K356-Q359 WeakPolarHBondContact O-CG 3.34Å; Q359-G425 WeakPolarHBondContact CG-O 3.46Å; Q359-G425 PolarHBondContact NE2-O 3.05Å; Q359-R427 HydrophobicContact CB-CG 4.23Å; Q359-R427 VanDerWaalsContact O-CZ 3.23Å; Q359-R427 PolarHBondContact O-NE 2.86Å; Q359-R427 PolarHBondContact O-NH2 3.26Å
360	P	98	Very high	90.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.			trans	-64	154.7	-174	28.5	-35.2	0	0	0	112.2	I317 L355 L358 R427 V428	I317-P360 HydrophobicContact CB-CB 4.27Å; I317-P360 HydrophobicContact CB-CG 4.37Å; I317-P360 HydrophobicContact CG2-CB 4.15Å; I317-P360 HydrophobicContact CG2-CG 4.07Å; L355-P360 HydrophobicContact CD2-CG 3.69Å; L355-P360 WeakPolarHBondContact O-CD 3.46Å; L358-P360 HydrophobicContact CD2-CB 4.43Å; P360-R427 CarbonylContact O-C 3.28Å; P360-R427 VanDerWaalsContact O-C 3.25Å; P360-V428 HydrophobicContact CG-CG2 4.26Å; P360-V428 WeakPolarHBondContact O-CA 3.31Å; P360-V428 WeakPolarHBondContact O-CG2 3.39Å; P360-V428 PolarHBondContact O-N 3.31Å
361	T	98.1	Very high	89.5	Confident	13 Å²	13	29.5 Å²	29.5	8%	0.08	14%	0.144	C	C	.	.	S	Bend	trans	-99	-27.7	171.1	63.7	0	0	0	0	111.9	D314 I315 R427 R429 L430	D314-T361 VanDerWaalsContact CA-OG1 3.25Å; D314-T361 WeakPolarHBondContact CA-OG1 3.43Å; D314-T361 WeakPolarHBondContact CB-OG1 3.31Å; D314-T361 WeakPolarHBondContact OD1-CB 3.25Å; D314-T361 PolarHBondContact OD1-OG1 3.23Å; I315-T361 PolarHBondContact N-OG1 3.02Å; I315-T361 PolarHBondContact O-N 2.63Å; I315-T361 PolarHBondContact O-OG1 2.73Å; T361-R427 HydrophobicContact CG2-CB 4.31Å; T361-R429 WeakPolarHBondContact O-CG 3.27Å; T361-R429 PolarHBondContact O-N 2.98Å; T361-L430 PolarHBondContact O-N 2.87Å
362	V	97.9	Very high	88.7	Confident	3 Å²	3	36 Å²	36	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.6	176.7	-176	0	0	0	0	109.1	L310 I315 I334 L430 I432	L310-V362 HydrophobicContact CD1-CG2 4.23Å; L310-V362 HydrophobicContact CD2-CG2 3.71Å; I315-V362 PolarHBondContact O-N 3.27Å; I315-V362 VanDerWaalsContact O-N 3.08Å; I334-V362 HydrophobicContact CD1-CB 4.19Å; I334-V362 HydrophobicContact CD1-CG1 4.43Å; I334-V362 HydrophobicContact CD1-CG2 4Å; V362-L430 WeakPolarHBondContact CA-O 3.24Å; V362-L430 HydrophobicContact CG1-CD2 4.4Å; V362-L430 HydrophobicContact CG2-CB 4.47Å; V362-L430 HydrophobicContact CG2-CD2 4.45Å; V362-I432 HydrophobicContact CG1-CD1 4.43Å
363	F	96.3	Very high	88.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	94.9	-178	-178.8	-136.8	0	0	0	111.4	I317 Y319 L355 V365 L369 L424 V428 L430 M431	I317-F363 HydrophobicContact CG2-CD2 3.43Å; I317-F363 VanDerWaalsContact CG2-CD2 3.43Å; I317-F363 HydrophobicContact CG2-CE2 3.97Å; I317-F363 HydrophobicContact CG2-CG 4.42Å; Y319-F363 HydrophobicContact CD1-CE2 4.27Å; Y319-F363 HydrophobicContact CE1-CD2 4.05Å; Y319-F363 AromaticContact CE1-CE2 3.47Å; Y319-F363 HydrophobicContact CE1-CE2 3.47Å; Y319-F363 VanDerWaalsContact CE1-CE2 3.47Å; Y319-F363 HydrophobicContact CE1-CZ 4.43Å; Y319-F363 AromaticContact CZ-CE2 3.91Å; L355-F363 HydrophobicContact CD1-CE2 4.37Å; L355-F363 HydrophobicContact CD1-CZ 4.04Å; L355-F363 HydrophobicContact CD2-CD2 4.12Å; L355-F363 HydrophobicContact CD2-CE2 3.92Å; L355-F363 HydrophobicContact CD2-CZ 4.35Å; F363-V365 HydrophobicContact CE1-CB 4.38Å; F363-V365 HydrophobicContact CE1-CG2 4.29Å; F363-V365 HydrophobicContact CZ-CG2 4.47Å; F363-L369 HydrophobicContact CZ-CD2 3.81Å; F363-L424 HydrophobicContact CD1-CD1 4.19Å; F363-L424 HydrophobicContact CD1-CD2 4.38Å; F363-L424 HydrophobicContact CE1-CD1 4.33Å; F363-L424 HydrophobicContact CE1-CD2 3.87Å; F363-V428 HydrophobicContact CB-CG1 4.21Å; F363-V428 HydrophobicContact CB-CG2 4.23Å; F363-L430 PolarHBondContact N-O 2.66Å; F363-M431 HydrophobicContact CB-CG 4.18Å; F363-M431 HydrophobicContact CD1-CE 3.6Å; F363-M431 HydrophobicContact CD1-CG 4.45Å; F363-M431 HydrophobicContact CD1-SD 4.15Å; F363-M431 HydrophobicContact CE1-CE 4.06Å; F363-M431 WeakPolarHBondContact O-CA 3.4Å
364	P	93.6	Very high	87.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	142.3	169.8	31.7	-34.2	0	0	0	109.9	H316 Y319 L320 F326 V330 I432	H316-P364 WeakPolarHBondContact CE1-CD 3.49Å; H316-P364 WeakPolarHBondContact CE1-CG 3.35Å; H316-P364 WeakPolarHBondContact ND1-CD 3.07Å; Y319-P364 VanDerWaalsContact CE1-O 3.23Å; Y319-P364 WeakPolarHBondContact CE1-O 2.98Å; Y319-P364 PolarHBondContact OH-O 3.29Å; L320-P364 HydrophobicContact CD1-CB 3.85Å; L320-P364 HydrophobicContact CD1-CG 4.02Å; F326-P364 HydrophobicContact CE1-CB 4.22Å; F326-P364 HydrophobicContact CZ-CB 3.93Å; V330-P364 HydrophobicContact CG1-CG 4.28Å; V330-P364 HydrophobicContact CG2-CB 4.3Å; P364-I432 CarbonylContact C-O 2.8Å; P364-I432 WeakPolarHBondContact CA-O 3.39Å
365	V	88.8	Confident	86.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146	-168.1	67.3	0	0	0	0	112.2	Y319 F363 L369 L370 M373 M431 I432 T433 F454	Y319-V365 WeakPolarHBondContact OH-CA 3.28Å; F363-V365 HydrophobicContact CE1-CB 4.38Å; F363-V365 HydrophobicContact CE1-CG2 4.29Å; F363-V365 HydrophobicContact CZ-CG2 4.47Å; V365-L369 HydrophobicContact CG2-CB 4.01Å; V365-L369 HydrophobicContact CG2-CD2 4.15Å; V365-L369 HydrophobicContact CG2-CG 4.25Å; V365-L370 HydrophobicContact CB-CD2 4.32Å; V365-L370 HydrophobicContact CG1-CD1 4.27Å; V365-L370 HydrophobicContact CG1-CD2 3.7Å; V365-L370 HydrophobicContact CG1-CG 4.14Å; V365-L370 HydrophobicContact CG2-CD2 3.65Å; V365-L370 HydrophobicContact CG2-CG 3.89Å; V365-M373 HydrophobicContact CG2-CE 3.97Å; V365-M431 HydrophobicContact CB-CE 4.13Å; V365-M431 HydrophobicContact CG1-CE 3.7Å; V365-I432 PolarHBondContact N-O 3.04Å; V365-T433 WeakPolarHBondContact O-CA 3.39Å; V365-T433 VanDerWaalsContact O-CB 3.29Å; V365-T433 WeakPolarHBondContact O-CB 3.46Å; V365-T433 PolarHBondContact O-OG1 3.45Å; V365-F454 HydrophobicContact CG1-CE2 3.9Å; V365-F454 HydrophobicContact CG1-CZ 3.9Å
366	V	80.1	Confident	86	Confident	37 Å²	37	42.8 Å²	42.8	22%	0.224	20%	0.198	C	C	.	.			trans	-103.4	150.8	175.6	-67.5	0	0	0	0	111.1	L320 R368 L369 L370	L320-V366 HydrophobicContact CD2-CG1 3.81Å; V366-R368 PolarHBondContact O-N 3.17Å; V366-R368 VanDerWaalsContact O-N 3.11Å; V366-L369 HydrophobicContact CG2-CB 4.31Å; V366-L369 PolarHBondContact O-N 3.38Å; V366-L370 PolarHBondContact O-N 2.78Å
367	P	75.6	Confident	85.5	Confident	10 Å²	10	38 Å²	38	7%	0.065	18%	0.179	C	C	.	.	H	α-helix	trans	-52.7	-37.2	-176.4	-30	35.6	0	0	0	114.8	L369 L370 N371 G434 A436 P437 V438	P367-L369 VanDerWaalsContact C-N 3.28Å; P367-L369 PolarHBondContact O-N 3.27Å; P367-L370 WeakPolarHBondContact O-CA 3.14Å; P367-L370 WeakPolarHBondContact O-CB 3.12Å; P367-L370 PolarHBondContact O-N 3.21Å; P367-N371 PolarHBondContact O-N 3.09Å; P367-N371 PolarHBondContact O-OD1 2.74Å; P367-G434 WeakPolarHBondContact CD-O 3.36Å; P367-A436 HydrophobicContact CG-CB 3.89Å; P367-A436 WeakPolarHBondContact CG-O 3.49Å; P367-P437 WeakPolarHBondContact CB-O 3.38Å; P367-V438 HydrophobicContact CB-CB 4.25Å; P367-V438 HydrophobicContact CG-CB 4.26Å
368	R	69.2	Low	84.6	Confident	125 Å²	125	38.1 Å²	38.1	47%	0.472	18%	0.175	S	C	.	.	H	α-helix	trans	-57.7	-40.3	177.2	-172.8	178.4	-179	177	0.1	112.6	V366 R372	V366-R368 PolarHBondContact O-N 3.17Å; V366-R368 VanDerWaalsContact O-N 3.11Å; R368-R372 PolarHBondContact O-N 2.66Å
369	L	75.6	Confident	83.7	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-73.3	-33.7	177.5	-172	56.9	0	0	0	111	Y319 L351 M352 F363 V365 V366 P367 R372 M373	Y319-L369 HydrophobicContact CE2-CD2 4.31Å; L351-L369 HydrophobicContact CD2-CD2 3.87Å; M352-L369 HydrophobicContact CE-CD1 4.12Å; F363-L369 HydrophobicContact CZ-CD2 3.81Å; V365-L369 HydrophobicContact CG2-CB 4.01Å; V365-L369 HydrophobicContact CG2-CD2 4.15Å; V365-L369 HydrophobicContact CG2-CG 4.25Å; V366-L369 HydrophobicContact CG2-CB 4.31Å; V366-L369 PolarHBondContact O-N 3.38Å; P367-L369 VanDerWaalsContact C-N 3.28Å; P367-L369 PolarHBondContact O-N 3.27Å; L369-R372 PolarHBondContact O-N 2.92Å; L369-M373 HydrophobicContact CG-CE 4.12Å; L369-M373 WeakPolarHBondContact O-CB 3.37Å; L369-M373 WeakPolarHBondContact O-CE 3.18Å; L369-M373 VanDerWaalsContact O-CG 3.28Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 2.9Å
370	L	80.3	Confident	82.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-47.2	173.7	-61.8	176.5	0	0	0	112.1	V365 V366 P367 M373 F374 M431 T433 V438 I442 L446 F454	V365-L370 HydrophobicContact CB-CD2 4.32Å; V365-L370 HydrophobicContact CG1-CD1 4.27Å; V365-L370 HydrophobicContact CG1-CD2 3.7Å; V365-L370 HydrophobicContact CG1-CG 4.14Å; V365-L370 HydrophobicContact CG2-CD2 3.65Å; V365-L370 HydrophobicContact CG2-CG 3.89Å; V366-L370 PolarHBondContact O-N 2.78Å; P367-L370 WeakPolarHBondContact O-CA 3.14Å; P367-L370 WeakPolarHBondContact O-CB 3.12Å; P367-L370 PolarHBondContact O-N 3.21Å; L370-M373 HydrophobicContact CD2-CE 3.58Å; L370-M373 HydrophobicContact CG-CE 4.44Å; L370-M373 PolarHBondContact O-N 3.46Å; L370-F374 WeakPolarHBondContact O-CB 3.11Å; L370-F374 PolarHBondContact O-N 3.15Å; L370-M431 HydrophobicContact CD2-CE 4.38Å; L370-T433 HydrophobicContact CD1-CG2 4.13Å; L370-V438 HydrophobicContact CD1-CB 4.44Å; L370-V438 HydrophobicContact CD1-CG2 3.85Å; L370-I442 HydrophobicContact CB-CG2 4.17Å; L370-L446 HydrophobicContact CB-CD1 3.69Å; L370-L446 HydrophobicContact CD2-CD1 3.52Å; L370-L446 HydrophobicContact CG-CD1 4.16Å; L370-F454 HydrophobicContact CD1-CZ 3.79Å; L370-F454 HydrophobicContact CD2-CE1 3.98Å; L370-F454 HydrophobicContact CD2-CZ 3.51Å; L370-F454 HydrophobicContact CG-CZ 4.34Å
371	N	73.1	Confident	82.2	Confident	56 Å²	56	40.9 Å²	40.9	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-58.4	-52.2	176.9	-63.1	-9.9	0	0	0	110.2	P367 M373 F374 D375 I442	P367-N371 PolarHBondContact O-N 3.09Å; P367-N371 PolarHBondContact O-OD1 2.74Å; N371-M373 VanDerWaalsContact C-N 3.25Å; N371-M373 PolarHBondContact O-N 3.04Å; N371-M373 VanDerWaalsContact O-N 3.17Å; N371-F374 CarbonylContact O-C 3.6Å; N371-F374 WeakPolarHBondContact O-CA 2.82Å; N371-F374 VanDerWaalsContact O-CB 3.3Å; N371-F374 WeakPolarHBondContact O-CB 3.2Å; N371-F374 PolarHBondContact O-N 2.69Å; N371-D375 PolarHBondContact O-N 3.34Å; N371-D375 VanDerWaalsContact O-OD2 3.04Å; N371-I442 HydrophobicContact CB-CD1 4.49Å; N371-I442 WeakPolarHBondContact OD1-CD1 3.32Å
372	R	74.1	Confident	81.5	Confident	138 Å²	138	45.4 Å²	45.4	52%	0.521	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-37.2	177.3	-178.4	177.1	167.6	-175.9	-3.3	113.2	R368 L369 K376	R368-R372 PolarHBondContact O-N 2.66Å; L369-R372 PolarHBondContact O-N 2.92Å; R372-K376 VanDerWaalsContact O-CB 3.25Å; R372-K376 WeakPolarHBondContact O-CB 3.06Å; R372-K376 PolarHBondContact O-N 3.45Å; R372-K376 VanDerWaalsContact O-N 3.09Å
373	M	81.3	Confident	81	Confident	19 Å²	19	47.9 Å²	47.9	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-44.1	175.1	-74.6	-175.2	-66	0	0	111.5	V365 L369 L370 N371 K376 V377 L424 L446	V365-M373 HydrophobicContact CG2-CE 3.97Å; L369-M373 HydrophobicContact CG-CE 4.12Å; L369-M373 WeakPolarHBondContact O-CB 3.37Å; L369-M373 WeakPolarHBondContact O-CE 3.18Å; L369-M373 VanDerWaalsContact O-CG 3.28Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 2.9Å; L370-M373 HydrophobicContact CD2-CE 3.58Å; L370-M373 HydrophobicContact CG-CE 4.44Å; L370-M373 PolarHBondContact O-N 3.46Å; N371-M373 VanDerWaalsContact C-N 3.25Å; N371-M373 PolarHBondContact O-N 3.04Å; N371-M373 VanDerWaalsContact O-N 3.17Å; M373-K376 PolarHBondContact O-N 2.94Å; M373-V377 WeakPolarHBondContact O-CG2 3.09Å; M373-V377 PolarHBondContact O-N 3.45Å; M373-V377 VanDerWaalsContact O-N 3.11Å; M373-L424 HydrophobicContact SD-CD2 3.83Å; M373-L446 HydrophobicContact CB-CD2 4.47Å
374	F	81	Confident	80.6	Confident	35 Å²	35	53.2 Å²	53.2	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-53.3	174.7	179.2	-87.6	0	0	0	111.1	L370 N371 K376 V377 F378 I442 F445	L370-F374 WeakPolarHBondContact O-CB 3.11Å; L370-F374 PolarHBondContact O-N 3.15Å; N371-F374 CarbonylContact O-C 3.6Å; N371-F374 WeakPolarHBondContact O-CA 2.82Å; N371-F374 VanDerWaalsContact O-CB 3.3Å; N371-F374 WeakPolarHBondContact O-CB 3.2Å; N371-F374 PolarHBondContact O-N 2.69Å; F374-K376 VanDerWaalsContact C-N 3.28Å; F374-K376 PolarHBondContact O-N 2.84Å; F374-V377 PolarHBondContact O-N 3.45Å; F374-F378 AromaticContact CD1-CD2 3.91Å; F374-F378 HydrophobicContact CD1-CD2 3.91Å; F374-F378 HydrophobicContact CD1-CE2 4.33Å; F374-F378 AromaticContact CD2-CD2 4Å; F374-F378 HydrophobicContact CD2-CD2 4Å; F374-F378 AromaticContact CD2-CE2 3.73Å; F374-F378 HydrophobicContact CD2-CE2 3.73Å; F374-F378 AromaticContact CE1-CD2 3.61Å; F374-F378 HydrophobicContact CE1-CD2 3.61Å; F374-F378 AromaticContact CE1-CE2 3.82Å; F374-F378 HydrophobicContact CE1-CE2 3.82Å; F374-F378 HydrophobicContact CE1-CG 4.24Å; F374-F378 AromaticContact CE2-CD2 3.73Å; F374-F378 HydrophobicContact CE2-CD2 3.73Å; F374-F378 AromaticContact CE2-CE2 3.14Å; F374-F378 HydrophobicContact CE2-CE2 3.14Å; F374-F378 AromaticContact CE2-CZ 3.92Å; F374-F378 HydrophobicContact CE2-CZ 3.92Å; F374-F378 HydrophobicContact CG-CD2 4.07Å; F374-F378 HydrophobicContact CG-CE2 4.28Å; F374-F378 AromaticContact CZ-CD2 3.52Å; F374-F378 HydrophobicContact CZ-CD2 3.52Å; F374-F378 AromaticContact CZ-CE2 3.18Å; F374-F378 HydrophobicContact CZ-CE2 3.18Å; F374-F378 HydrophobicContact CZ-CG 4.33Å; F374-F378 AromaticContact CZ-CZ 3.74Å; F374-F378 HydrophobicContact CZ-CZ 3.74Å; F374-F378 WeakPolarHBondContact O-CD2 3.24Å; F374-F378 PolarHBondContact O-N 2.97Å; F374-I442 HydrophobicContact CB-CG1 4.44Å; F374-I442 HydrophobicContact CB-CG2 4.14Å; F374-I442 HydrophobicContact CD1-CG1 4.26Å; F374-I442 HydrophobicContact CD2-CB 4.4Å; F374-I442 HydrophobicContact CD2-CG1 3.97Å; F374-I442 HydrophobicContact CD2-CG2 4.39Å; F374-I442 HydrophobicContact CE2-CG1 4.24Å; F374-I442 HydrophobicContact CG-CG1 3.99Å; F374-I442 HydrophobicContact CG-CG2 4.44Å; F374-F445 HydrophobicContact CD2-CB 4Å; F374-F445 AromaticContact CD2-CD1 3.45Å; F374-F445 HydrophobicContact CD2-CD1 3.45Å; F374-F445 VanDerWaalsContact CD2-CD1 3.45Å; F374-F445 HydrophobicContact CD2-CE1 4.09Å; F374-F445 AromaticContact CD2-CG 3.81Å; F374-F445 HydrophobicContact CD2-CG 3.81Å; F374-F445 HydrophobicContact CE2-CB 3.8Å; F374-F445 AromaticContact CE2-CD1 3.84Å; F374-F445 HydrophobicContact CE2-CD1 3.84Å; F374-F445 HydrophobicContact CE2-CD2 4.31Å; F374-F445 AromaticContact CE2-CG 3.71Å; F374-F445 HydrophobicContact CE2-CG 3.71Å
375	D	75.1	Confident	80.3	Confident	73 Å²	73	59.2 Å²	59.2	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-39.7	-178.9	-55.2	-29.8	0	0	0	111.5	N371 V377 F378 S379	N371-D375 PolarHBondContact O-N 3.34Å; N371-D375 VanDerWaalsContact O-OD2 3.04Å; D375-V377 VanDerWaalsContact C-N 3.32Å; D375-V377 PolarHBondContact O-N 3.49Å; D375-F378 PolarHBondContact O-N 3.37Å; D375-S379 VanDerWaalsContact O-CB 3.23Å; D375-S379 WeakPolarHBondContact O-CB 3.34Å; D375-S379 PolarHBondContact O-N 3.18Å; D375-S379 PolarHBondContact O-OG 3.45Å
376	K	80.7	Confident	80.3	Confident	109 Å²	109	64.3 Å²	64.3	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-65.7	-32	176.2	-172.8	171.9	-175.7	175.7	0	113.2	R372 M373 F374 S379 Q380	R372-K376 VanDerWaalsContact O-CB 3.25Å; R372-K376 WeakPolarHBondContact O-CB 3.06Å; R372-K376 PolarHBondContact O-N 3.45Å; R372-K376 VanDerWaalsContact O-N 3.09Å; M373-K376 PolarHBondContact O-N 2.94Å; F374-K376 VanDerWaalsContact C-N 3.28Å; F374-K376 PolarHBondContact O-N 2.84Å; K376-S379 VanDerWaalsContact CA-OG 3.32Å; K376-S379 WeakPolarHBondContact CA-OG 3.41Å; K376-S379 PolarHBondContact O-OG 3.28Å; K376-S379 VanDerWaalsContact O-OG 3.1Å; K376-Q380 VanDerWaalsContact O-CG 3.29Å; K376-Q380 WeakPolarHBondContact O-CG 3.22Å; K376-Q380 PolarHBondContact O-NE2 2.94Å
377	V	84.5	Confident	80.7	Confident	20 Å²	20	68.9 Å²	68.9	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-74.9	-46.1	175.7	175.7	0	0	0	0	110.3	M373 F374 D375 Q380 L390 V420 F445	M373-V377 WeakPolarHBondContact O-CG2 3.09Å; M373-V377 PolarHBondContact O-N 3.45Å; M373-V377 VanDerWaalsContact O-N 3.11Å; F374-V377 PolarHBondContact O-N 3.45Å; D375-V377 VanDerWaalsContact C-N 3.32Å; D375-V377 PolarHBondContact O-N 3.49Å; V377-Q380 PolarHBondContact O-N 2.92Å; V377-L390 HydrophobicContact CG1-CD1 4.43Å; V377-L390 HydrophobicContact CG1-CD2 4.32Å; V377-V420 HydrophobicContact CG1-CG2 4.16Å; V377-V420 HydrophobicContact CG2-CB 4.44Å; V377-V420 HydrophobicContact CG2-CG1 4Å; V377-V420 HydrophobicContact CG2-CG2 3.6Å; V377-F445 HydrophobicContact CB-CE1 4.27Å; V377-F445 HydrophobicContact CB-CZ 4.4Å; V377-F445 HydrophobicContact CG1-CE1 4.03Å; V377-F445 HydrophobicContact CG1-CZ 3.71Å
378	F	79	Confident	81.4	Confident	61 Å²	61	75.9 Å²	75.9	27%	0.268	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-38.7	-179.7	-87.1	-90.8	0	0	0	113.1	F374 D375 Q380 A381 L390 F445	F374-F378 AromaticContact CD1-CD2 3.91Å; F374-F378 HydrophobicContact CD1-CD2 3.91Å; F374-F378 HydrophobicContact CD1-CE2 4.33Å; F374-F378 AromaticContact CD2-CD2 4Å; F374-F378 HydrophobicContact CD2-CD2 4Å; F374-F378 AromaticContact CD2-CE2 3.73Å; F374-F378 HydrophobicContact CD2-CE2 3.73Å; F374-F378 AromaticContact CE1-CD2 3.61Å; F374-F378 HydrophobicContact CE1-CD2 3.61Å; F374-F378 AromaticContact CE1-CE2 3.82Å; F374-F378 HydrophobicContact CE1-CE2 3.82Å; F374-F378 HydrophobicContact CE1-CG 4.24Å; F374-F378 AromaticContact CE2-CD2 3.73Å; F374-F378 HydrophobicContact CE2-CD2 3.73Å; F374-F378 AromaticContact CE2-CE2 3.14Å; F374-F378 HydrophobicContact CE2-CE2 3.14Å; F374-F378 AromaticContact CE2-CZ 3.92Å; F374-F378 HydrophobicContact CE2-CZ 3.92Å; F374-F378 HydrophobicContact CG-CD2 4.07Å; F374-F378 HydrophobicContact CG-CE2 4.28Å; F374-F378 AromaticContact CZ-CD2 3.52Å; F374-F378 HydrophobicContact CZ-CD2 3.52Å; F374-F378 AromaticContact CZ-CE2 3.18Å; F374-F378 HydrophobicContact CZ-CE2 3.18Å; F374-F378 HydrophobicContact CZ-CG 4.33Å; F374-F378 AromaticContact CZ-CZ 3.74Å; F374-F378 HydrophobicContact CZ-CZ 3.74Å; F374-F378 WeakPolarHBondContact O-CD2 3.24Å; F374-F378 PolarHBondContact O-N 2.97Å; D375-F378 PolarHBondContact O-N 3.37Å; F378-Q380 PolarHBondContact O-N 3.3Å; F378-A381 WeakPolarHBondContact O-CA 3.13Å; F378-A381 WeakPolarHBondContact O-CB 3.44Å; F378-A381 PolarHBondContact O-N 3.35Å; F378-L390 HydrophobicContact CD1-CD2 4.27Å; F378-L390 HydrophobicContact CE1-CD2 4.2Å; F378-L390 HydrophobicContact CZ-CD2 4.36Å; F378-F445 HydrophobicContact CD2-CE1 4.43Å; F378-F445 HydrophobicContact CD2-CZ 4.22Å; F378-F445 HydrophobicContact CE2-CD1 4.19Å; F378-F445 AromaticContact CE2-CD2 3.81Å; F378-F445 HydrophobicContact CE2-CD2 3.81Å; F378-F445 AromaticContact CE2-CE1 3.9Å; F378-F445 HydrophobicContact CE2-CE1 3.9Å; F378-F445 AromaticContact CE2-CE2 3.49Å; F378-F445 HydrophobicContact CE2-CE2 3.49Å; F378-F445 VanDerWaalsContact CE2-CE2 3.49Å; F378-F445 HydrophobicContact CE2-CG 4.13Å; F378-F445 AromaticContact CE2-CZ 3.53Å; F378-F445 HydrophobicContact CE2-CZ 3.53Å; F378-F445 HydrophobicContact CZ-CD2 4.04Å; F378-F445 AromaticContact CZ-CE2 3.77Å; F378-F445 HydrophobicContact CZ-CE2 3.77Å; F378-F445 HydrophobicContact CZ-CZ 4.23Å
379	S	78.1	Confident	82.5	Confident	59 Å²	59	73.3 Å²	73.3	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-29.8	174.5	53.1	0	0	0	0	113.3	D375 K376 A381	D375-S379 VanDerWaalsContact O-CB 3.23Å; D375-S379 WeakPolarHBondContact O-CB 3.34Å; D375-S379 PolarHBondContact O-N 3.18Å; D375-S379 PolarHBondContact O-OG 3.45Å; K376-S379 VanDerWaalsContact CA-OG 3.32Å; K376-S379 WeakPolarHBondContact CA-OG 3.41Å; K376-S379 PolarHBondContact O-OG 3.28Å; K376-S379 VanDerWaalsContact O-OG 3.1Å; S379-A381 VanDerWaalsContact C-N 3.28Å; S379-A381 PolarHBondContact O-N 2.92Å
380	Q	81.2	Confident	83.2	Confident	78 Å²	78	73 Å²	73	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-73	-21.2	174.1	-71	174.8	38.4	0	0	112.9	K376 V377 F378 N382 K419	K376-Q380 VanDerWaalsContact O-CG 3.29Å; K376-Q380 WeakPolarHBondContact O-CG 3.22Å; K376-Q380 PolarHBondContact O-NE2 2.94Å; V377-Q380 PolarHBondContact O-N 2.92Å; F378-Q380 PolarHBondContact O-N 3.3Å; Q380-N382 PolarHBondContact O-N 3.46Å; Q380-N382 VanDerWaalsContact O-N 3.07Å; Q380-K419 VanDerWaalsContact OE1-CE 3.29Å
381	A	82.6	Confident	83.7	Confident	6 Å²	6	76 Å²	76	5%	0.05	37%	0.37	C	S	.	.			trans	-83.2	64.8	169.9	0	0	0	0	0	110.2	F378 S379 K386 R387 L390	F378-A381 WeakPolarHBondContact O-CA 3.13Å; F378-A381 WeakPolarHBondContact O-CB 3.44Å; F378-A381 PolarHBondContact O-N 3.35Å; S379-A381 VanDerWaalsContact C-N 3.28Å; S379-A381 PolarHBondContact O-N 2.92Å; A381-K386 HydrophobicContact CB-CB 4.27Å; A381-R387 HydrophobicContact CB-CG 3.94Å; A381-R387 WeakPolarHBondContact O-CG 3.4Å; A381-R387 PolarHBondContact O-NE 3.35Å; A381-L390 HydrophobicContact CB-CD2 3.94Å
382	N	83.7	Confident	84.7	Confident	108 Å²	108	76.6 Å²	76.6	58%	0.578	37%	0.37	S	S	*	.			trans	-84.1	-5.7	-172	65.8	-18.8	0	0	0	115.2	Q380 K386	Q380-N382 PolarHBondContact O-N 3.46Å; Q380-N382 VanDerWaalsContact O-N 3.07Å; N382-K386 PolarHBondContact OD1-NZ 3.3Å
383	T	87.8	Confident	85.6	Confident	54 Å²	54	70 Å²	70	33%	0.331	35%	0.345	S	S	.	.	S	Bend	trans	-118.1	152.1	177	67.5	0	0	0	0	111	L385 K386 R387	T383-L385 PolarHBondContact O-N 3.07Å; T383-K386 PolarHBondContact O-N 3.49Å; T383-K386 VanDerWaalsContact O-N 3.07Å; T383-K386 WeakPolarHBondContact OG1-CB 3.41Å; T383-K386 VanDerWaalsContact OG1-CG 3.27Å; T383-K386 WeakPolarHBondContact OG1-CG 3.26Å; T383-K386 PolarHBondContact OG1-N 3.42Å; T383-R387 WeakPolarHBondContact O-CG 3.38Å; T383-R387 PolarHBondContact O-N 2.94Å
384	P	87.1	Confident	86.1	Confident	112 Å²	112	70.8 Å²	70.8	73%	0.727	35%	0.348	S	S	*	.	H	α-helix	trans	-55	-39.8	179.2	-27	34.9	0	0	0	113.1	R387 W388	P384-R387 PolarHBondContact O-N 3.39Å; P384-W388 WeakPolarHBondContact O-CB 3.49Å; P384-W388 PolarHBondContact O-N 3.04Å
385	L	88.3	Confident	86.7	Confident	127 Å²	127	77.4 Å²	77.4	67%	0.665	37%	0.372	S	S	*	.	H	α-helix	trans	-64.6	-43.7	176.8	-178.5	63.1	0	0	0	112.4	T383 W388 L389	T383-L385 PolarHBondContact O-N 3.07Å; L385-W388 HydrophobicContact CD1-CE3 4.45Å; L385-W388 PolarHBondContact O-N 2.87Å; L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.46Å; L385-L389 PolarHBondContact O-N 3.46Å
386	K	88.3	Confident	87.6	Confident	106 Å²	106	80.8 Å²	80.8	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-38.7	177.5	-74.7	176.9	-175	174.8	0	111.7	A381 N382 T383 L389 L390	A381-K386 HydrophobicContact CB-CB 4.27Å; N382-K386 PolarHBondContact OD1-NZ 3.3Å; T383-K386 PolarHBondContact O-N 3.49Å; T383-K386 VanDerWaalsContact O-N 3.07Å; T383-K386 WeakPolarHBondContact OG1-CB 3.41Å; T383-K386 VanDerWaalsContact OG1-CG 3.27Å; T383-K386 WeakPolarHBondContact OG1-CG 3.26Å; T383-K386 PolarHBondContact OG1-N 3.42Å; K386-L389 PolarHBondContact O-N 2.93Å; K386-L390 WeakPolarHBondContact O-CB 3.36Å; K386-L390 PolarHBondContact O-N 3.42Å
387	R	88.2	Confident	88.2	Confident	133 Å²	133	75.9 Å²	75.9	50%	0.502	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-51.6	174.9	-70.3	-176.4	177.1	-168.2	-8.3	111	A381 T383 P384 L389 L390 D391	A381-R387 HydrophobicContact CB-CG 3.94Å; A381-R387 WeakPolarHBondContact O-CG 3.4Å; A381-R387 PolarHBondContact O-NE 3.35Å; T383-R387 WeakPolarHBondContact O-CG 3.38Å; T383-R387 PolarHBondContact O-N 2.94Å; P384-R387 PolarHBondContact O-N 3.39Å; R387-L389 VanDerWaalsContact C-N 3.29Å; R387-L389 PolarHBondContact O-N 3.25Å; R387-L390 PolarHBondContact O-N 3.44Å; R387-L390 VanDerWaalsContact O-N 3.16Å; R387-D391 WeakPolarHBondContact O-CB 3.42Å; R387-D391 VanDerWaalsContact O-CG 3.31Å; R387-D391 PolarHBondContact O-N 3.22Å
388	W	90.8	Very high	88.6	Confident	158 Å²	158	77 Å²	77	60%	0.598	36%	0.362	S	S	*	.	H	α-helix	trans	-56.7	-43.3	176.9	178.9	86.6	0	0	0	112.2	P384 L385 D391 F392	P384-W388 WeakPolarHBondContact O-CB 3.49Å; P384-W388 PolarHBondContact O-N 3.04Å; L385-W388 HydrophobicContact CD1-CE3 4.45Å; L385-W388 PolarHBondContact O-N 2.87Å; W388-D391 PolarHBondContact O-N 3.42Å; W388-F392 VanDerWaalsContact O-CB 3.29Å; W388-F392 WeakPolarHBondContact O-CB 3.29Å; W388-F392 PolarHBondContact O-N 3.17Å
389	L	91.1	Very high	89.2	Confident	71 Å²	71	77 Å²	77	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-42.2	178	-177.4	64.7	0	0	0	112.2	L385 K386 R387 F392 A393 W412 I416	L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.46Å; L385-L389 PolarHBondContact O-N 3.46Å; K386-L389 PolarHBondContact O-N 2.93Å; R387-L389 VanDerWaalsContact C-N 3.29Å; R387-L389 PolarHBondContact O-N 3.25Å; L389-F392 PolarHBondContact O-N 3.13Å; L389-A393 VanDerWaalsContact O-CB 3.31Å; L389-A393 WeakPolarHBondContact O-CB 3.24Å; L389-A393 PolarHBondContact O-N 2.87Å; L389-W412 HydrophobicContact CD1-CZ3 4.31Å; L389-I416 HydrophobicContact CD1-CD1 4.26Å; L389-I416 HydrophobicContact CD2-CD1 4.27Å; L389-I416 HydrophobicContact CG-CD1 3.79Å
390	L	92	Very high	89.9	Confident	9 Å²	9	76.5 Å²	76.5	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-47.8	175.4	177.5	62.7	0	0	0	110.9	V377 F378 A381 K386 R387 F392 A393 F394 I416 F417 F445	V377-L390 HydrophobicContact CG1-CD1 4.43Å; V377-L390 HydrophobicContact CG1-CD2 4.32Å; F378-L390 HydrophobicContact CD1-CD2 4.27Å; F378-L390 HydrophobicContact CE1-CD2 4.2Å; F378-L390 HydrophobicContact CZ-CD2 4.36Å; A381-L390 HydrophobicContact CB-CD2 3.94Å; K386-L390 WeakPolarHBondContact O-CB 3.36Å; K386-L390 PolarHBondContact O-N 3.42Å; R387-L390 PolarHBondContact O-N 3.44Å; R387-L390 VanDerWaalsContact O-N 3.16Å; L390-F392 VanDerWaalsContact C-N 3.35Å; L390-F392 PolarHBondContact O-N 2.74Å; L390-A393 PolarHBondContact O-N 3.31Å; L390-F394 VanDerWaalsContact O-CB 3.28Å; L390-F394 WeakPolarHBondContact O-CB 3.42Å; L390-F394 PolarHBondContact O-N 3.32Å; L390-I416 HydrophobicContact CD1-CG2 3.8Å; L390-F417 HydrophobicContact CD1-CE1 3.82Å; L390-F417 HydrophobicContact CD1-CZ 4.29Å; L390-F445 HydrophobicContact CD1-CE2 4.26Å; L390-F445 HydrophobicContact CD1-CZ 4.23Å; L390-F445 HydrophobicContact CG-CE2 4.48Å
391	D	90.5	Very high	90.3	Very high	64 Å²	64	73.3 Å²	73.3	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-42	178.8	-70.3	-20.6	0	0	0	111.4	R387 W388 F394 R395	R387-D391 WeakPolarHBondContact O-CB 3.42Å; R387-D391 VanDerWaalsContact O-CG 3.31Å; R387-D391 PolarHBondContact O-N 3.22Å; W388-D391 PolarHBondContact O-N 3.42Å; D391-F394 PolarHBondContact O-N 2.75Å; D391-R395 WeakPolarHBondContact O-CB 3.33Å; D391-R395 VanDerWaalsContact O-CG 3.28Å; D391-R395 WeakPolarHBondContact O-CG 3.22Å; D391-R395 PolarHBondContact O-N 3.26Å
392	F	92.6	Very high	90.6	Very high	69 Å²	69	77.3 Å²	77.3	30%	0.303	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176.7	-175.4	-97.7	0	0	0	111.6	W388 L389 L390 R395 R396 W412	W388-F392 VanDerWaalsContact O-CB 3.29Å; W388-F392 WeakPolarHBondContact O-CB 3.29Å; W388-F392 PolarHBondContact O-N 3.17Å; L389-F392 PolarHBondContact O-N 3.13Å; L390-F392 VanDerWaalsContact C-N 3.35Å; L390-F392 PolarHBondContact O-N 2.74Å; F392-R395 PolarHBondContact O-N 2.88Å; F392-R396 HydrophobicContact CD1-CG 4.47Å; F392-R396 HydrophobicContact CE1-CG 4.19Å; F392-R396 HydrophobicContact CZ-CG 4.46Å; F392-R396 WeakPolarHBondContact O-CG 3.39Å; F392-R396 PolarHBondContact O-N 3.33Å; F392-R396 VanDerWaalsContact O-N 3.12Å; F392-W412 AromaticContact CD1-CH2 3.53Å; F392-W412 HydrophobicContact CD1-CH2 3.53Å; F392-W412 AromaticContact CD1-CZ2 3.88Å; F392-W412 HydrophobicContact CD1-CZ2 3.88Å; F392-W412 HydrophobicContact CD1-CZ3 4.07Å; F392-W412 AromaticContact CE1-CH2 3.39Å; F392-W412 HydrophobicContact CE1-CH2 3.39Å; F392-W412 AromaticContact CE1-CZ2 3.47Å; F392-W412 HydrophobicContact CE1-CZ2 3.47Å; F392-W412 VanDerWaalsContact CE1-CZ2 3.47Å; F392-W412 HydrophobicContact CE1-CZ3 4.36Å
393	A	92.9	Very high	90.8	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-41.5	178	0	0	0	0	0	112.4	L389 L390 R396 K397 W412 I416 F417	L389-A393 VanDerWaalsContact O-CB 3.31Å; L389-A393 WeakPolarHBondContact O-CB 3.24Å; L389-A393 PolarHBondContact O-N 2.87Å; L390-A393 PolarHBondContact O-N 3.31Å; A393-R396 PolarHBondContact O-N 3.05Å; A393-K397 WeakPolarHBondContact O-CG 3.41Å; A393-K397 PolarHBondContact O-N 3.3Å; A393-W412 HydrophobicContact CB-CB 4.12Å; A393-W412 HydrophobicContact CB-CD2 3.88Å; A393-W412 HydrophobicContact CB-CE3 3.57Å; A393-W412 HydrophobicContact CB-CG 4.11Å; A393-W412 HydrophobicContact CB-CZ3 4.34Å; A393-I416 HydrophobicContact CB-CD1 3.21Å; A393-F417 HydrophobicContact CB-CE2 4.04Å; A393-F417 HydrophobicContact CB-CZ 4.24Å
394	F	93.2	Very high	90.7	Very high	35 Å²	35	75.3 Å²	75.3	15%	0.154	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-51.4	174.3	168.6	-117.2	0	0	0	110.9	L390 D391 R396 K397 E398 F417 T444 F445 A448	L390-F394 VanDerWaalsContact O-CB 3.28Å; L390-F394 WeakPolarHBondContact O-CB 3.42Å; L390-F394 PolarHBondContact O-N 3.32Å; D391-F394 PolarHBondContact O-N 2.75Å; F394-R396 VanDerWaalsContact C-N 3.25Å; F394-R396 PolarHBondContact O-N 3.16Å; F394-K397 CarbonylContact O-C 3.46Å; F394-K397 PolarHBondContact O-N 2.76Å; F394-K397 VanDerWaalsContact O-N 3.1Å; F394-E398 HydrophobicContact CE2-CB 4.16Å; F394-E398 HydrophobicContact CE2-CG 4.47Å; F394-E398 HydrophobicContact CZ-CB 4.26Å; F394-E398 HydrophobicContact CZ-CG 4.24Å; F394-E398 WeakPolarHBondContact O-CB 3.45Å; F394-E398 PolarHBondContact O-N 3.22Å; F394-F417 HydrophobicContact CB-CZ 4.37Å; F394-T444 HydrophobicContact CE2-CG2 4.38Å; F394-T444 HydrophobicContact CZ-CG2 4.17Å; F394-F445 HydrophobicContact CB-CD2 4.44Å; F394-F445 HydrophobicContact CB-CE2 4.39Å; F394-F445 HydrophobicContact CD1-CD2 4.45Å; F394-F445 AromaticContact CD2-CD2 3.68Å; F394-F445 HydrophobicContact CD2-CD2 3.68Å; F394-F445 HydrophobicContact CD2-CE2 4.35Å; F394-F445 HydrophobicContact CD2-CG 4.48Å; F394-F445 VanDerWaalsContact CE2-CA 3.47Å; F394-F445 HydrophobicContact CE2-CB 4.14Å; F394-F445 HydrophobicContact CE2-CD2 4.09Å; F394-F445 AromaticContact CG-CD2 3.91Å; F394-F445 HydrophobicContact CG-CD2 3.91Å; F394-F445 HydrophobicContact CG-CE2 4.34Å; F394-F445 HydrophobicContact CZ-CB 4.48Å; F394-A448 HydrophobicContact CD2-CB 3.72Å; F394-A448 HydrophobicContact CE2-CB 3.77Å
395	R	93.6	Very high	90.7	Very high	174 Å²	174	70.8 Å²	70.8	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-57.7	-36.5	178.5	-74.4	176.2	-178.1	-167.7	1.7	112.9	D391 F392 S399	D391-R395 WeakPolarHBondContact O-CB 3.33Å; D391-R395 VanDerWaalsContact O-CG 3.28Å; D391-R395 WeakPolarHBondContact O-CG 3.22Å; D391-R395 PolarHBondContact O-N 3.26Å; F392-R395 PolarHBondContact O-N 2.88Å; R395-S399 PolarHBondContact O-N 3.47Å
396	R	93.3	Very high	90.7	Very high	144 Å²	144	66.2 Å²	66.2	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-46.1	175.8	-71.2	-65.7	-178.5	167.5	-1.7	111.9	F392 A393 F394 S399 E400 W412	F392-R396 HydrophobicContact CD1-CG 4.47Å; F392-R396 HydrophobicContact CE1-CG 4.19Å; F392-R396 HydrophobicContact CZ-CG 4.46Å; F392-R396 WeakPolarHBondContact O-CG 3.39Å; F392-R396 PolarHBondContact O-N 3.33Å; F392-R396 VanDerWaalsContact O-N 3.12Å; A393-R396 PolarHBondContact O-N 3.05Å; F394-R396 VanDerWaalsContact C-N 3.25Å; F394-R396 PolarHBondContact O-N 3.16Å; R396-S399 PolarHBondContact O-N 2.6Å; R396-E400 PolarHBondContact O-N 3.11Å; R396-E400 VanDerWaalsContact O-N 3.16Å; R396-W412 HydrophobicContact CG-CZ2 4.27Å
397	K	93.3	Very high	90.7	Very high	5 Å²	5	64.1 Å²	64.1	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-36.8	176.8	-72.6	-81.3	-65.8	-162.7	0	112.4	A393 F394 S399 E400 L401 R407 W412 D413 F417 A448	A393-K397 WeakPolarHBondContact O-CG 3.41Å; A393-K397 PolarHBondContact O-N 3.3Å; F394-K397 CarbonylContact O-C 3.46Å; F394-K397 PolarHBondContact O-N 2.76Å; F394-K397 VanDerWaalsContact O-N 3.1Å; K397-S399 VanDerWaalsContact C-N 3.31Å; K397-S399 PolarHBondContact O-N 3.39Å; K397-E400 WeakPolarHBondContact O-CB 3.46Å; K397-E400 PolarHBondContact O-N 3.23Å; K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.31Å; K397-R407 PolarHBondContact NZ-O 3.5Å; K397-W412 HydrophobicContact CG-CB 4.22Å; K397-D413 VanDerWaalsContact NZ-CG 3.26Å; K397-D413 IonicContact NZ-OD1 3.66Å; K397-D413 PolarHBondContact NZ-OD1 3.34Å; K397-D413 IonicContact NZ-OD2 2.83Å; K397-D413 PolarHBondContact NZ-OD2 2.72Å; K397-F417 HydrophobicContact CG-CD2 4.34Å; K397-F417 HydrophobicContact CG-CE2 3.87Å; K397-A448 HydrophobicContact CB-CB 3.84Å; K397-A448 WeakPolarHBondContact CE-O 3.21Å; K397-A448 PolarHBondContact NZ-O 2.98Å
398	E	93.4	Very high	90.7	Very high	44 Å²	44	62.9 Å²	62.9	21%	0.206	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-40.3	174	-168.6	-163.6	174.4	0	0	111.1	F394 L401 K402 T444	F394-E398 HydrophobicContact CE2-CB 4.16Å; F394-E398 HydrophobicContact CE2-CG 4.47Å; F394-E398 HydrophobicContact CZ-CB 4.26Å; F394-E398 HydrophobicContact CZ-CG 4.24Å; F394-E398 WeakPolarHBondContact O-CB 3.45Å; F394-E398 PolarHBondContact O-N 3.22Å; E398-L401 WeakPolarHBondContact O-CB 3.39Å; E398-L401 PolarHBondContact O-N 2.68Å; E398-K402 WeakPolarHBondContact O-CG 3.12Å; E398-K402 PolarHBondContact O-N 3.18Å; E398-K402 VanDerWaalsContact OE1-CE 3.23Å; E398-K402 WeakPolarHBondContact OE1-CE 3.41Å; E398-K402 IonicContact OE1-NZ 3.57Å; E398-K402 PolarHBondContact OE1-NZ 3.16Å; E398-K402 IonicContact OE2-NZ 2.7Å; E398-T444 HydrophobicContact CG-CG2 4.01Å
399	S	92	Very high	90.5	Very high	62 Å²	62	59.6 Å²	59.6	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-39.4	173.5	-175.6	0	0	0	0	112.4	R395 R396 K397 K402 N403	R395-S399 PolarHBondContact O-N 3.47Å; R396-S399 PolarHBondContact O-N 2.6Å; K397-S399 VanDerWaalsContact C-N 3.31Å; K397-S399 PolarHBondContact O-N 3.39Å; S399-K402 PolarHBondContact O-N 2.92Å; S399-N403 PolarHBondContact O-N 3.28Å; S399-N403 PolarHBondContact O-ND2 3.49Å
400	E	91.4	Very high	90.3	Very high	47 Å²	47	56.4 Å²	56.4	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-47.5	171.6	-70.3	-172.8	157.2	0	0	111.1	R396 K397 K402 N403 G404 V405 R407	R396-E400 PolarHBondContact O-N 3.11Å; R396-E400 VanDerWaalsContact O-N 3.16Å; K397-E400 WeakPolarHBondContact O-CB 3.46Å; K397-E400 PolarHBondContact O-N 3.23Å; E400-K402 PolarHBondContact O-N 2.83Å; E400-N403 CarbonylContact O-C 3.59Å; E400-N403 WeakPolarHBondContact O-CA 3.38Å; E400-N403 PolarHBondContact O-N 2.74Å; E400-G404 PolarHBondContact O-N 2.82Å; E400-V405 CarbonylContact C-O 3.13Å; E400-V405 HydrophobicContact CB-CB 4.05Å; E400-V405 HydrophobicContact CB-CG1 4.2Å; E400-V405 WeakPolarHBondContact O-CB 3.48Å; E400-V405 PolarHBondContact O-N 3.23Å; E400-R407 IonicContact OE1-NH1 2.85Å
401	L	90.3	Very high	90.2	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-44.1	177.7	-69.6	179.7	0	0	0	112.6	K397 E398 N403 G404 V405 M406 R447 A448 W475	K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.31Å; E398-L401 WeakPolarHBondContact O-CB 3.39Å; E398-L401 PolarHBondContact O-N 2.68Å; L401-N403 PolarHBondContact O-N 3.35Å; L401-G404 WeakPolarHBondContact O-CA 3.4Å; L401-G404 PolarHBondContact O-N 3.04Å; L401-V405 PolarHBondContact N-O 2.87Å; L401-M406 HydrophobicContact CD2-CB 4.44Å; L401-M406 HydrophobicContact CD2-CG 3.65Å; L401-M406 HydrophobicContact CD2-SD 4.16Å; L401-R447 HydrophobicContact CD1-CB 3.81Å; L401-A448 HydrophobicContact CD1-CB 3.81Å; L401-W475 HydrophobicContact CB-CB 4.48Å; L401-W475 WeakPolarHBondContact O-CB 3.34Å
402	K	89.4	Confident	90.2	Very high	89 Å²	89	60.2 Å²	60.2	39%	0.387	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-28.6	177.2	-74.9	175.1	-178.3	167.7	0	112.9	E398 S399 E400 G404 W475	E398-K402 WeakPolarHBondContact O-CG 3.12Å; E398-K402 PolarHBondContact O-N 3.18Å; E398-K402 VanDerWaalsContact OE1-CE 3.23Å; E398-K402 WeakPolarHBondContact OE1-CE 3.41Å; E398-K402 IonicContact OE1-NZ 3.57Å; E398-K402 PolarHBondContact OE1-NZ 3.16Å; E398-K402 IonicContact OE2-NZ 2.7Å; S399-K402 PolarHBondContact O-N 2.92Å; E400-K402 PolarHBondContact O-N 2.83Å; K402-G404 VanDerWaalsContact C-N 3.26Å; K402-W475 HydrophobicContact CB-CD2 4.35Å; K402-W475 HydrophobicContact CB-CZ2 4.42Å; K402-W475 HydrophobicContact CD-CH2 4.22Å; K402-W475 HydrophobicContact CD-CZ3 4.23Å; K402-W475 HydrophobicContact CG-CD2 3.82Å; K402-W475 HydrophobicContact CG-CE3 3.71Å; K402-W475 HydrophobicContact CG-CH2 3.87Å; K402-W475 HydrophobicContact CG-CZ2 3.96Å; K402-W475 HydrophobicContact CG-CZ3 3.75Å; K402-W475 PolarHBondContact O-NE1 3.31Å
403	N	87	Confident	90	Very high	109 Å²	109	57 Å²	57	58%	0.583	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	11.6	173.6	-66.8	-54.8	0	0	0	112.9	A50 S399 E400 L401 V405	A50-N403 VanDerWaalsContact CB-O 3.26Å; A50-N403 WeakPolarHBondContact CB-O 3.31Å; S399-N403 PolarHBondContact O-N 3.28Å; S399-N403 PolarHBondContact O-ND2 3.49Å; E400-N403 CarbonylContact O-C 3.59Å; E400-N403 WeakPolarHBondContact O-CA 3.38Å; E400-N403 PolarHBondContact O-N 2.74Å; L401-N403 PolarHBondContact O-N 3.35Å; N403-V405 VanDerWaalsContact C-N 3.26Å; N403-V405 PolarHBondContact O-N 2.72Å
404	G	85.6	Confident	89.9	Confident	11 Å²	11	64.2 Å²	64.2	11%	0.113	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	8.8	179.6	0	0	0	0	0	114.4	A50 L51 E400 L401 K402	A50-G404 CarbonylContact C-O 3.53Å; A50-G404 WeakPolarHBondContact CA-O 3.4Å; L51-G404 PolarHBondContact N-O 3.49Å; E400-G404 PolarHBondContact O-N 2.82Å; L401-G404 WeakPolarHBondContact O-CA 3.4Å; L401-G404 PolarHBondContact O-N 3.04Å; K402-G404 VanDerWaalsContact C-N 3.26Å
405	V	88.5	Confident	89.6	Confident	18 Å²	18	68.6 Å²	68.6	11%	0.109	32%	0.321	C	S	.	.			trans	-89.6	108.6	-179.9	175.8	0	0	0	0	109.5	P48 E400 L401 N403 R407	P48-V405 HydrophobicContact CB-CB 4.44Å; P48-V405 HydrophobicContact CB-CG1 3.33Å; P48-V405 HydrophobicContact CB-CG2 4.22Å; P48-V405 HydrophobicContact CG-CG1 4.31Å; E400-V405 CarbonylContact C-O 3.13Å; E400-V405 HydrophobicContact CB-CB 4.05Å; E400-V405 HydrophobicContact CB-CG1 4.2Å; E400-V405 WeakPolarHBondContact O-CB 3.48Å; E400-V405 PolarHBondContact O-N 3.23Å; L401-V405 PolarHBondContact N-O 2.87Å; N403-V405 VanDerWaalsContact C-N 3.26Å; N403-V405 PolarHBondContact O-N 2.72Å; V405-R407 HydrophobicContact CG1-CG 4.33Å
406	M	87.5	Confident	89.4	Confident	31 Å²	31	62 Å²	62	15%	0.153	30%	0.298	C	S	.	.			trans	-108.3	121.9	168	-60.4	-150	-145.6	0	0	110.2	L51 L401 Q453	L51-M406 HydrophobicContact CD1-CB 4.02Å; L51-M406 HydrophobicContact CD1-CE 3.94Å; L51-M406 HydrophobicContact CD1-CG 3.74Å; L51-M406 HydrophobicContact CD1-SD 4.3Å; L401-M406 HydrophobicContact CD2-CB 4.44Å; L401-M406 HydrophobicContact CD2-CG 3.65Å; L401-M406 HydrophobicContact CD2-SD 4.16Å; M406-Q453 PolarHBondContact SD-NE2 2.82Å
407	R	87.9	Confident	89.3	Confident	61 Å²	61	55.1 Å²	55.1	23%	0.23	27%	0.272	C	S	.	.			trans	-152.3	161	-177.8	70.3	-178.5	-67.2	-161.6	5.4	111.4	K397 E400 V405 D409 G451	K397-R407 PolarHBondContact NZ-O 3.5Å; E400-R407 IonicContact OE1-NH1 2.85Å; V405-R407 HydrophobicContact CG1-CG 4.33Å; R407-D409 WeakPolarHBondContact CB-OD1 3.48Å; R407-D409 IonicContact CZ-OD1 3.39Å; R407-D409 IonicContact CZ-OD2 3.16Å; R407-D409 IonicContact NE-OD1 3.3Å; R407-D409 PolarHBondContact NE-OD1 3Å; R407-D409 IonicContact NE-OD2 2.71Å; R407-D409 PolarHBondContact NH2-O 2.85Å; R407-D409 IonicContact NH2-OD1 2.89Å; R407-D409 PolarHBondContact NH2-OD1 2.74Å; R407-D409 VanDerWaalsContact NH2-OD1 3.16Å; R407-D409 IonicContact NH2-OD2 3.16Å; R407-D409 PolarHBondContact NH2-OD2 2.8Å; R407-G451 CarbonylContact C-O 3.57Å; R407-G451 WeakPolarHBondContact O-CA 3.33Å
408	K	87.8	Confident	89.3	Confident	108 Å²	108	60.7 Å²	60.7	47%	0.47	30%	0.296	S	S	.	.	S	Bend	trans	-121.7	8.2	179.6	66.7	178.9	-179	178.9	0	114.5	D413	K408-D413 WeakPolarHBondContact O-CB 3.4Å
409	D	86.9	Confident	89.1	Confident	89 Å²	89	65 Å²	65	48%	0.476	32%	0.315	S	S	.	.			trans	-120.1	15.1	-169.5	68.1	-41.6	0	0	0	113.1	R407 D413	R407-D409 WeakPolarHBondContact CB-OD1 3.48Å; R407-D409 IonicContact CZ-OD1 3.39Å; R407-D409 IonicContact CZ-OD2 3.16Å; R407-D409 IonicContact NE-OD1 3.3Å; R407-D409 PolarHBondContact NE-OD1 3Å; R407-D409 IonicContact NE-OD2 2.71Å; R407-D409 PolarHBondContact NH2-O 2.85Å; R407-D409 IonicContact NH2-OD1 2.89Å; R407-D409 PolarHBondContact NH2-OD1 2.74Å; R407-D409 VanDerWaalsContact NH2-OD1 3.16Å; R407-D409 IonicContact NH2-OD2 3.16Å; R407-D409 PolarHBondContact NH2-OD2 2.8Å; D409-D413 PolarHBondContact N-OD2 2.87Å
410	S	88.4	Confident	89.1	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.028	30%	0.299	C	S	.	.	S	Bend	trans	-68.2	166.4	173.6	77.5	0	0	0	0	111.6	W412 D413 K414	S410-W412 PolarHBondContact O-N 2.88Å; S410-W412 PolarHBondContact OG-N 2.6Å; S410-D413 WeakPolarHBondContact CA-OD2 3.16Å; S410-D413 WeakPolarHBondContact CB-OD2 3.32Å; S410-D413 PolarHBondContact N-OD2 3.17Å; S410-D413 WeakPolarHBondContact O-CB 3.47Å; S410-D413 PolarHBondContact O-N 2.85Å; S410-D413 VanDerWaalsContact OG-CG 3.27Å; S410-D413 PolarHBondContact OG-N 2.91Å; S410-D413 VanDerWaalsContact OG-N 3.11Å; S410-D413 PolarHBondContact OG-OD2 2.71Å; S410-K414 PolarHBondContact O-N 2.74Å; S410-K414 VanDerWaalsContact O-N 3.15Å
411	M	88.8	Confident	89.2	Confident	116 Å²	116	61.9 Å²	61.9	57%	0.571	29%	0.294	S	S	*	.	H	α-helix	trans	-59.7	-34.2	172.4	65.8	-174.5	-66.4	0	0	112.3	D413 K414 L415	M411-D413 VanDerWaalsContact C-N 3.35Å; M411-K414 PolarHBondContact O-N 3.11Å; M411-L415 WeakPolarHBondContact O-CB 3.42Å; M411-L415 VanDerWaalsContact O-CG 3.29Å; M411-L415 WeakPolarHBondContact O-CG 3.37Å; M411-L415 PolarHBondContact O-N 3.32Å
412	W	90.7	Very high	89.3	Confident	36 Å²	36	65.9 Å²	65.9	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-70.6	-33.3	178.4	-55.4	116.5	0	0	0	112.1	L389 F392 A393 R396 K397 S410 I416 F417	L389-W412 HydrophobicContact CD1-CZ3 4.31Å; F392-W412 AromaticContact CD1-CH2 3.53Å; F392-W412 HydrophobicContact CD1-CH2 3.53Å; F392-W412 AromaticContact CD1-CZ2 3.88Å; F392-W412 HydrophobicContact CD1-CZ2 3.88Å; F392-W412 HydrophobicContact CD1-CZ3 4.07Å; F392-W412 AromaticContact CE1-CH2 3.39Å; F392-W412 HydrophobicContact CE1-CH2 3.39Å; F392-W412 AromaticContact CE1-CZ2 3.47Å; F392-W412 HydrophobicContact CE1-CZ2 3.47Å; F392-W412 VanDerWaalsContact CE1-CZ2 3.47Å; F392-W412 HydrophobicContact CE1-CZ3 4.36Å; A393-W412 HydrophobicContact CB-CB 4.12Å; A393-W412 HydrophobicContact CB-CD2 3.88Å; A393-W412 HydrophobicContact CB-CE3 3.57Å; A393-W412 HydrophobicContact CB-CG 4.11Å; A393-W412 HydrophobicContact CB-CZ3 4.34Å; R396-W412 HydrophobicContact CG-CZ2 4.27Å; K397-W412 HydrophobicContact CG-CB 4.22Å; S410-W412 PolarHBondContact O-N 2.88Å; S410-W412 PolarHBondContact OG-N 2.6Å; W412-I416 HydrophobicContact CE3-CD1 3.98Å; W412-I416 HydrophobicContact CZ3-CD1 4.5Å; W412-I416 WeakPolarHBondContact O-CB 3.32Å; W412-I416 PolarHBondContact O-N 3.07Å; W412-F417 HydrophobicContact CB-CD2 4.28Å; W412-F417 HydrophobicContact CB-CE2 4.23Å; W412-F417 PolarHBondContact O-N 2.79Å; W412-F417 VanDerWaalsContact O-N 3.11Å
413	D	88.9	Confident	89.3	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.011	31%	0.306	C	S	.	.	I	π-helix	trans	-62.4	-50.4	171	-62.1	-62.8	0	0	0	109.8	K397 K408 D409 S410 M411 L415 F417 K418 Q421	K397-D413 VanDerWaalsContact NZ-CG 3.26Å; K397-D413 IonicContact NZ-OD1 3.66Å; K397-D413 PolarHBondContact NZ-OD1 3.34Å; K397-D413 IonicContact NZ-OD2 2.83Å; K397-D413 PolarHBondContact NZ-OD2 2.72Å; K408-D413 WeakPolarHBondContact O-CB 3.4Å; D409-D413 PolarHBondContact N-OD2 2.87Å; S410-D413 WeakPolarHBondContact CA-OD2 3.16Å; S410-D413 WeakPolarHBondContact CB-OD2 3.32Å; S410-D413 PolarHBondContact N-OD2 3.17Å; S410-D413 WeakPolarHBondContact O-CB 3.47Å; S410-D413 PolarHBondContact O-N 2.85Å; S410-D413 VanDerWaalsContact OG-CG 3.27Å; S410-D413 PolarHBondContact OG-N 2.91Å; S410-D413 VanDerWaalsContact OG-N 3.11Å; S410-D413 PolarHBondContact OG-OD2 2.71Å; M411-D413 VanDerWaalsContact C-N 3.35Å; D413-L415 VanDerWaalsContact C-N 3.34Å; D413-L415 PolarHBondContact O-N 2.86Å; D413-F417 PolarHBondContact O-N 2.9Å; D413-K418 WeakPolarHBondContact O-CA 3.3Å; D413-K418 WeakPolarHBondContact O-CB 3.39Å; D413-K418 PolarHBondContact O-N 3.2Å; D413-Q421 PolarHBondContact OD1-NE2 3.27Å
414	K	89.2	Confident	89.6	Confident	152 Å²	152	58.1 Å²	58.1	66%	0.661	28%	0.279	S	S	*	.	I	π-helix	trans	-61.5	-39.7	-179.1	-66.7	178.7	-175.8	177.8	0	113.3	S410 M411	S410-K414 PolarHBondContact O-N 2.74Å; S410-K414 VanDerWaalsContact O-N 3.15Å; M411-K414 PolarHBondContact O-N 3.11Å
415	L	86.9	Confident	89.9	Confident	126 Å²	126	57.7 Å²	57.7	66%	0.66	27%	0.274	S	S	*	.	I	π-helix	trans	-84.8	-37.8	-174.3	-67.9	171.6	0	0	0	113.6	M411 D413	M411-L415 WeakPolarHBondContact O-CB 3.42Å; M411-L415 VanDerWaalsContact O-CG 3.29Å; M411-L415 WeakPolarHBondContact O-CG 3.37Å; M411-L415 PolarHBondContact O-N 3.32Å; D413-L415 VanDerWaalsContact C-N 3.34Å; D413-L415 PolarHBondContact O-N 2.86Å
416	I	89.9	Confident	90.2	Very high	36 Å²	36	58 Å²	58	19%	0.185	28%	0.282	C	S	.	.	I	π-helix	trans	-124.3	-58.6	-167.3	-62.7	161.4	0	0	0	110.6	L389 L390 A393 W412 K418	L389-I416 HydrophobicContact CD1-CD1 4.26Å; L389-I416 HydrophobicContact CD2-CD1 4.27Å; L389-I416 HydrophobicContact CG-CD1 3.79Å; L390-I416 HydrophobicContact CD1-CG2 3.8Å; A393-I416 HydrophobicContact CB-CD1 3.21Å; W412-I416 HydrophobicContact CE3-CD1 3.98Å; W412-I416 HydrophobicContact CZ3-CD1 4.5Å; W412-I416 WeakPolarHBondContact O-CB 3.32Å; W412-I416 PolarHBondContact O-N 3.07Å; I416-K418 PolarHBondContact O-N 3.41Å
417	F	92.3	Very high	90.6	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-81.2	-12.7	-167.1	-57.9	-64.6	0	0	0	115.1	L390 A393 F394 K397 W412 D413 K419 V420 Q421 F445 A449	L390-F417 HydrophobicContact CD1-CE1 3.82Å; L390-F417 HydrophobicContact CD1-CZ 4.29Å; A393-F417 HydrophobicContact CB-CE2 4.04Å; A393-F417 HydrophobicContact CB-CZ 4.24Å; F394-F417 HydrophobicContact CB-CZ 4.37Å; K397-F417 HydrophobicContact CG-CD2 4.34Å; K397-F417 HydrophobicContact CG-CE2 3.87Å; W412-F417 HydrophobicContact CB-CD2 4.28Å; W412-F417 HydrophobicContact CB-CE2 4.23Å; W412-F417 PolarHBondContact O-N 2.79Å; W412-F417 VanDerWaalsContact O-N 3.11Å; D413-F417 PolarHBondContact O-N 2.9Å; F417-K419 PolarHBondContact O-N 2.86Å; F417-K419 VanDerWaalsContact O-N 3.16Å; F417-V420 HydrophobicContact CD1-CG2 4.48Å; F417-V420 WeakPolarHBondContact O-CA 3.31Å; F417-V420 WeakPolarHBondContact O-CB 3.24Å; F417-V420 PolarHBondContact O-N 3.35Å; F417-Q421 WeakPolarHBondContact O-CG 3.33Å; F417-Q421 PolarHBondContact O-N 2.97Å; F417-F445 HydrophobicContact CE1-CZ 4.41Å; F417-A449 WeakPolarHBondContact CB-O 3.48Å; F417-A449 VanDerWaalsContact CD1-CA 3.48Å; F417-A449 HydrophobicContact CD1-CB 3.4Å; F417-A449 HydrophobicContact CE1-CB 3.66Å; F417-A449 HydrophobicContact CG-CB 4.11Å
418	K	92.2	Very high	91	Very high	121 Å²	121	58.9 Å²	58.9	53%	0.526	29%	0.285	S	S	.	.	H	α-helix	trans	-55.2	-36.3	176.3	-175.5	171.5	-175.5	-180	0	111.6	D413 I416 V420 Q421 M422	D413-K418 WeakPolarHBondContact O-CA 3.3Å; D413-K418 WeakPolarHBondContact O-CB 3.39Å; D413-K418 PolarHBondContact O-N 3.2Å; I416-K418 PolarHBondContact O-N 3.41Å; K418-V420 VanDerWaalsContact C-N 3.34Å; K418-V420 PolarHBondContact O-N 3.36Å; K418-Q421 PolarHBondContact O-N 2.94Å; K418-M422 HydrophobicContact CG-CG 4.14Å; K418-M422 VanDerWaalsContact O-CB 3.28Å; K418-M422 WeakPolarHBondContact O-CB 3.42Å; K418-M422 WeakPolarHBondContact O-CG 3.48Å; K418-M422 PolarHBondContact O-N 2.77Å
419	K	90.2	Very high	91.3	Very high	136 Å²	136	56.7 Å²	56.7	59%	0.591	27%	0.274	S	S	*	.	H	α-helix	trans	-64.7	-38.8	176.5	-167	-179.4	-176.8	-172.2	0	112.1	Q380 F417 S423	Q380-K419 VanDerWaalsContact OE1-CE 3.29Å; F417-K419 PolarHBondContact O-N 2.86Å; F417-K419 VanDerWaalsContact O-N 3.16Å; K419-S423 PolarHBondContact O-N 2.84Å; K419-S423 VanDerWaalsContact O-N 3.12Å
420	V	90.7	Very high	91.8	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.097	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-48.8	176.5	-170.5	0	0	0	0	109.8	V377 F417 K418 M422 S423 L450	V377-V420 HydrophobicContact CG1-CG2 4.16Å; V377-V420 HydrophobicContact CG2-CB 4.44Å; V377-V420 HydrophobicContact CG2-CG1 4Å; V377-V420 HydrophobicContact CG2-CG2 3.6Å; F417-V420 HydrophobicContact CD1-CG2 4.48Å; F417-V420 WeakPolarHBondContact O-CA 3.31Å; F417-V420 WeakPolarHBondContact O-CB 3.24Å; F417-V420 PolarHBondContact O-N 3.35Å; K418-V420 VanDerWaalsContact C-N 3.34Å; K418-V420 PolarHBondContact O-N 3.36Å; V420-M422 PolarHBondContact O-N 3.08Å; V420-S423 WeakPolarHBondContact O-CB 3.49Å; V420-S423 PolarHBondContact O-N 2.88Å; V420-S423 VanDerWaalsContact O-N 3.1Å; V420-S423 PolarHBondContact O-OG 3.49Å; V420-L450 HydrophobicContact CG1-CD2 3.88Å
421	Q	93.9	Very high	92.1	Very high	26 Å²	26	52.2 Å²	52.2	12%	0.121	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-43.8	177.7	-65.4	162.5	8.6	0	0	112.1	D413 F417 K418 S423 L424 G426 A449 L450	D413-Q421 PolarHBondContact OD1-NE2 3.27Å; F417-Q421 WeakPolarHBondContact O-CG 3.33Å; F417-Q421 PolarHBondContact O-N 2.97Å; K418-Q421 PolarHBondContact O-N 2.94Å; Q421-S423 VanDerWaalsContact C-N 3.27Å; Q421-S423 PolarHBondContact O-N 3.3Å; Q421-L424 PolarHBondContact O-N 3.04Å; Q421-L424 VanDerWaalsContact O-N 3.15Å; Q421-G426 VanDerWaalsContact O-CA 3.31Å; Q421-G426 WeakPolarHBondContact O-CA 3.3Å; Q421-G426 PolarHBondContact O-N 3.04Å; Q421-A449 PolarHBondContact NE2-O 3.01Å; Q421-L450 HydrophobicContact CG-CD2 4.48Å
422	M	92.8	Very high	92.3	Very high	96 Å²	96	47.1 Å²	47.1	47%	0.473	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-23.8	177.4	-71.2	-59.4	-64.5	0	0	113	K418 V420 L424 G425	K418-M422 HydrophobicContact CG-CG 4.14Å; K418-M422 VanDerWaalsContact O-CB 3.28Å; K418-M422 WeakPolarHBondContact O-CB 3.42Å; K418-M422 WeakPolarHBondContact O-CG 3.48Å; K418-M422 PolarHBondContact O-N 2.77Å; V420-M422 PolarHBondContact O-N 3.08Å; M422-L424 PolarHBondContact O-N 2.78Å; M422-G425 PolarHBondContact O-N 2.83Å
423	S	89.8	Confident	92.3	Very high	33 Å²	33	45.5 Å²	45.5	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-22.3	173.6	78	0	0	0	0	113	K419 V420 Q421	K419-S423 PolarHBondContact O-N 2.84Å; K419-S423 VanDerWaalsContact O-N 3.12Å; V420-S423 WeakPolarHBondContact O-CB 3.49Å; V420-S423 PolarHBondContact O-N 2.88Å; V420-S423 VanDerWaalsContact O-N 3.1Å; V420-S423 PolarHBondContact O-OG 3.49Å; Q421-S423 VanDerWaalsContact C-N 3.27Å; Q421-S423 PolarHBondContact O-N 3.3Å
424	L	92.3	Very high	92	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	15.6	171.5	-52.3	-176.6	0	0	0	112.5	L355 F363 M373 Q421 M422 G426 V428 M431 L450	L355-L424 HydrophobicContact CD1-CD2 3.82Å; F363-L424 HydrophobicContact CD1-CD1 4.19Å; F363-L424 HydrophobicContact CD1-CD2 4.38Å; F363-L424 HydrophobicContact CE1-CD1 4.33Å; F363-L424 HydrophobicContact CE1-CD2 3.87Å; M373-L424 HydrophobicContact SD-CD2 3.83Å; Q421-L424 PolarHBondContact O-N 3.04Å; Q421-L424 VanDerWaalsContact O-N 3.15Å; M422-L424 PolarHBondContact O-N 2.78Å; L424-G426 VanDerWaalsContact C-N 3.35Å; L424-G426 PolarHBondContact O-N 2.87Å; L424-V428 HydrophobicContact CB-CG2 3.9Å; L424-M431 HydrophobicContact CD1-SD 4.2Å; L424-L450 HydrophobicContact CD1-CD1 3.99Å; L424-L450 HydrophobicContact CD1-CD2 3.64Å; L424-L450 HydrophobicContact CD1-CG 4.5Å
425	G	93.4	Very high	91	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-0.5	-179.1	0	0	0	0	0	115.8	L355 Q359 M422 R427	L355-G425 WeakPolarHBondContact O-CA 3.46Å; Q359-G425 WeakPolarHBondContact CG-O 3.46Å; Q359-G425 PolarHBondContact NE2-O 3.05Å; M422-G425 PolarHBondContact O-N 2.83Å; G425-R427 VanDerWaalsContact C-N 3.28Å; G425-R427 PolarHBondContact O-N 2.92Å
426	G	94.1	Very high	90.1	Very high	26 Å²	26	36.2 Å²	36.2	27%	0.268	19%	0.189	S	C	.	.	S	Bend	trans	79	-5.4	167.6	0	0	0	0	0	116.6	Q421 L424	Q421-G426 VanDerWaalsContact O-CA 3.31Å; Q421-G426 WeakPolarHBondContact O-CA 3.3Å; Q421-G426 PolarHBondContact O-N 3.04Å; L424-G426 VanDerWaalsContact C-N 3.35Å; L424-G426 PolarHBondContact O-N 2.87Å
427	R	95.9	Very high	89	Confident	94 Å²	94	38.2 Å²	38.2	36%	0.355	20%	0.204	S	C	.	.			trans	-109.1	-4	-178.7	-61.8	-162.3	-55.5	174.1	-6.4	114.9	L358 Q359 P360 T361 G425 R429	L358-R427 PolarHBondContact O-NH2 3.23Å; Q359-R427 HydrophobicContact CB-CG 4.23Å; Q359-R427 VanDerWaalsContact O-CZ 3.23Å; Q359-R427 PolarHBondContact O-NE 2.86Å; Q359-R427 PolarHBondContact O-NH2 3.26Å; P360-R427 CarbonylContact O-C 3.28Å; P360-R427 VanDerWaalsContact O-C 3.25Å; T361-R427 HydrophobicContact CG2-CB 4.31Å; G425-R427 VanDerWaalsContact C-N 3.28Å; G425-R427 PolarHBondContact O-N 2.92Å; R427-R429 PolarHBondContact O-N 3.03Å
428	V	96.3	Very high	88.1	Confident	15 Å²	15	38.6 Å²	38.6	9%	0.091	21%	0.207	C	C	.	.			trans	-56.5	126	178.7	178.7	0	0	0	0	110	P360 F363 L424 M431	P360-V428 HydrophobicContact CG-CG2 4.26Å; P360-V428 WeakPolarHBondContact O-CA 3.31Å; P360-V428 WeakPolarHBondContact O-CG2 3.39Å; P360-V428 PolarHBondContact O-N 3.31Å; F363-V428 HydrophobicContact CB-CG1 4.21Å; F363-V428 HydrophobicContact CB-CG2 4.23Å; L424-V428 HydrophobicContact CB-CG2 3.9Å; V428-M431 HydrophobicContact CG1-CG 3.53Å; V428-M431 HydrophobicContact CG1-SD 3.9Å
429	R	94.9	Very high	87.3	Confident	62 Å²	62	33.3 Å²	33.3	23%	0.234	19%	0.185	C	C	.	.			trans	-122.6	-20.2	177.7	69.8	178.7	-173.2	89.3	-19.7	112.8	S308 M309 D314 T361 R427 Q453	S308-R429 PolarHBondContact O-NH1 3.17Å; M309-R429 PolarHBondContact O-NH2 2.68Å; D314-R429 IonicContact OD1-CZ 2.82Å; D314-R429 VanDerWaalsContact OD1-CZ 3.26Å; D314-R429 IonicContact OD1-NE 3.9Å; D314-R429 PolarHBondContact OD1-NE 2.76Å; D314-R429 IonicContact OD1-NH2 3.81Å; D314-R429 PolarHBondContact OD1-NH2 3.49Å; D314-R429 IonicContact OD2-CZ 3.28Å; D314-R429 IonicContact OD2-NE 3.44Å; D314-R429 IonicContact OD2-NH2 2.83Å; D314-R429 PolarHBondContact OD2-NH2 3.28Å; T361-R429 WeakPolarHBondContact O-CG 3.27Å; T361-R429 PolarHBondContact O-N 2.98Å; R427-R429 PolarHBondContact O-N 3.03Å; R429-Q453 WeakPolarHBondContact O-CB 3.22Å; R429-Q453 PolarHBondContact O-N 2.96Å
430	L	95.5	Very high	86.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	127.9	-179.4	177.1	61.8	0	0	0	110.6	F300 L310 T361 V362 F363 I432 Q453 Y455	F300-L430 HydrophobicContact CE1-CD2 4.34Å; F300-L430 HydrophobicContact CZ-CD2 4.11Å; L310-L430 HydrophobicContact CD2-CD2 4.05Å; T361-L430 PolarHBondContact O-N 2.87Å; V362-L430 WeakPolarHBondContact CA-O 3.24Å; V362-L430 HydrophobicContact CG1-CD2 4.4Å; V362-L430 HydrophobicContact CG2-CB 4.47Å; V362-L430 HydrophobicContact CG2-CD2 4.45Å; F363-L430 PolarHBondContact N-O 2.66Å; L430-I432 HydrophobicContact CD1-CD1 4.26Å; L430-I432 HydrophobicContact CD2-CD1 4.16Å; L430-I432 HydrophobicContact CG-CD1 3.85Å; L430-Q453 CarbonylContact C-O 3.59Å; L430-Q453 WeakPolarHBondContact CA-O 3.44Å; L430-Q453 HydrophobicContact CD1-CB 4.06Å; L430-Y455 HydrophobicContact CD1-CD2 3.73Å; L430-Y455 HydrophobicContact CD1-CE2 3.44Å; L430-Y455 VanDerWaalsContact CD1-CE2 3.44Å
431	M	95.8	Very high	86.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.8	173.1	-67.6	-176.5	60.8	0	0	110.1	F363 V365 L370 L424 V428 L450 Q453 F454 Y455	F363-M431 HydrophobicContact CB-CG 4.18Å; F363-M431 HydrophobicContact CD1-CE 3.6Å; F363-M431 HydrophobicContact CD1-CG 4.45Å; F363-M431 HydrophobicContact CD1-SD 4.15Å; F363-M431 HydrophobicContact CE1-CE 4.06Å; F363-M431 WeakPolarHBondContact O-CA 3.4Å; V365-M431 HydrophobicContact CB-CE 4.13Å; V365-M431 HydrophobicContact CG1-CE 3.7Å; L370-M431 HydrophobicContact CD2-CE 4.38Å; L424-M431 HydrophobicContact CD1-SD 4.2Å; V428-M431 HydrophobicContact CG1-CG 3.53Å; V428-M431 HydrophobicContact CG1-SD 3.9Å; M431-L450 HydrophobicContact CE-CD1 4.06Å; M431-L450 HydrophobicContact SD-CD1 3.43Å; M431-L450 WeakPolarHBondContact SD-CD1 3.48Å; M431-Q453 PolarHBondContact N-O 3.08Å; M431-F454 HydrophobicContact CB-CB 4.34Å; M431-F454 HydrophobicContact CB-CD1 4.47Å; M431-F454 HydrophobicContact CB-CD2 3.52Å; M431-F454 HydrophobicContact CB-CE2 3.87Å; M431-F454 HydrophobicContact CB-CG 3.87Å; M431-F454 HydrophobicContact CB-CZ 4.49Å; M431-F454 HydrophobicContact CE-CE1 4.2Å; M431-F454 HydrophobicContact CE-CE2 4.44Å; M431-F454 HydrophobicContact CE-CZ 4.07Å; M431-F454 WeakPolarHBondContact O-CA 3.46Å; M431-Y455 PolarHBondContact O-N 2.91Å
432	I	93.3	Very high	86.1	Confident	9 Å²	9	32.2 Å²	32.2	5%	0.046	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.2	175.8	-52.7	92.8	0	0	0	107.8	F300 F326 V362 P364 V365 L430 Y455	F300-I432 HydrophobicContact CE2-CD1 4.29Å; F300-I432 HydrophobicContact CE2-CG1 3.81Å; F300-I432 HydrophobicContact CZ-CD1 3.9Å; F300-I432 HydrophobicContact CZ-CG1 3.9Å; F326-I432 HydrophobicContact CE2-CB 4.38Å; F326-I432 HydrophobicContact CE2-CG2 3.95Å; F326-I432 HydrophobicContact CZ-CB 4.08Å; F326-I432 HydrophobicContact CZ-CG2 3.83Å; V362-I432 HydrophobicContact CG1-CD1 4.43Å; P364-I432 CarbonylContact C-O 2.8Å; P364-I432 WeakPolarHBondContact CA-O 3.39Å; V365-I432 PolarHBondContact N-O 3.04Å; L430-I432 HydrophobicContact CD1-CD1 4.26Å; L430-I432 HydrophobicContact CD2-CD1 4.16Å; L430-I432 HydrophobicContact CG-CD1 3.85Å; I432-Y455 CarbonylContact C-O 3.59Å; I432-Y455 WeakPolarHBondContact CA-O 3.16Å
433	T	89.6	Confident	85.8	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.1	171.9	-160.3	0	0	0	0	112.2	V365 L370 V438 F454 Y455 E456 G457	V365-T433 WeakPolarHBondContact O-CA 3.39Å; V365-T433 VanDerWaalsContact O-CB 3.29Å; V365-T433 WeakPolarHBondContact O-CB 3.46Å; V365-T433 PolarHBondContact O-OG1 3.45Å; L370-T433 HydrophobicContact CD1-CG2 4.13Å; T433-V438 HydrophobicContact CG2-CG1 4.21Å; T433-F454 HydrophobicContact CG2-CE2 3.88Å; T433-F454 HydrophobicContact CG2-CZ 4.36Å; T433-Y455 PolarHBondContact N-O 2.75Å; T433-E456 HydrophobicContact CG2-CB 4.17Å; T433-E456 HydrophobicContact CG2-CG 4.22Å; T433-E456 WeakPolarHBondContact O-CA 3.45Å; T433-G457 PolarHBondContact O-N 3.25Å
434	G	83.7	Confident	85.8	Confident	7 Å²	7	27.2 Å²	27.2	7%	0.072	17%	0.166	C	C	.	.			trans	179.3	-158.8	-177.6	0	0	0	0	0	110.8	P367 A436 G457	P367-G434 WeakPolarHBondContact CD-O 3.36Å; G434-A436 PolarHBondContact O-N 2.76Å; G434-G457 VanDerWaalsContact CA-O 3.32Å; G434-G457 WeakPolarHBondContact CA-O 3.13Å
435	A	68.1	Low	85.8	Confident	36 Å²	36	27.3 Å²	27.3	30%	0.298	17%	0.166	S	C	.	.	S	Bend	trans	65.8	-28	-175.1	0	0	0	0	0	115.8	K675	A435-K675 WeakPolarHBondContact O-CE 3.43Å; A435-K675 PolarHBondContact O-NZ 3.18Å
436	A	67.1	Low	85.7	Confident	42 Å²	42	27.3 Å²	27.3	35%	0.347	17%	0.165	S	C	.	.	S	Bend	trans	-146.9	158.9	175.5	0	0	0	0	0	110.2	P367 G434	P367-A436 HydrophobicContact CG-CB 3.89Å; P367-A436 WeakPolarHBondContact CG-O 3.49Å; G434-A436 PolarHBondContact O-N 2.76Å
437	P	67.1	Low	85.7	Confident	78 Å²	78	26.3 Å²	26.3	51%	0.506	15%	0.153	S	C	.	.			trans	-67.5	143.6	177	27.4	-34.1	0	0	0	111.5	P367	P367-P437 WeakPolarHBondContact CB-O 3.38Å
438	V	73.4	Confident	85.5	Confident	9 Å²	9	21.8 Å²	21.8	6%	0.055	14%	0.136	C	C	.	.			trans	-113.6	145.8	169.2	61.8	0	0	0	0	110	P367 L370 T433 I442 L443 E456	P367-V438 HydrophobicContact CB-CB 4.25Å; P367-V438 HydrophobicContact CG-CB 4.26Å; L370-V438 HydrophobicContact CD1-CB 4.44Å; L370-V438 HydrophobicContact CD1-CG2 3.85Å; T433-V438 HydrophobicContact CG2-CG1 4.21Å; V438-I442 HydrophobicContact CG2-CB 4.45Å; V438-I442 HydrophobicContact CG2-CG2 4.3Å; V438-L443 HydrophobicContact CG1-CB 4.15Å; V438-L443 HydrophobicContact CG1-CD2 4.05Å; V438-L443 HydrophobicContact CG1-CG 4.49Å; V438-L443 HydrophobicContact CG2-CB 4.3Å; V438-E456 HydrophobicContact CG1-CG 4.45Å
439	S	75.9	Confident	85.4	Confident	9 Å²	9	21.1 Å²	21.1	6%	0.063	13%	0.132	C	C	.	.			trans	-68.7	140.7	177.6	87.9	0	0	0	0	110.9	T441 I442 L443	S439-T441 PolarHBondContact O-N 2.7Å; S439-I442 PolarHBondContact O-N 2.96Å; S439-I442 WeakPolarHBondContact OG-CB 3.43Å; S439-I442 WeakPolarHBondContact OG-CD1 3.41Å; S439-I442 WeakPolarHBondContact OG-CG1 3.47Å; S439-I442 PolarHBondContact OG-N 2.92Å; S439-I442 VanDerWaalsContact OG-N 3.13Å; S439-L443 PolarHBondContact O-N 2.82Å
440	P	82.6	Confident	85.3	Confident	56 Å²	56	18.6 Å²	18.6	36%	0.364	12%	0.123	S	C	.	.	H	α-helix	trans	-56.7	-37.3	177.2	-26.9	34.7	0	0	0	112.9	T444 A477	P440-T444 VanDerWaalsContact O-CB 3.24Å; P440-T444 WeakPolarHBondContact O-CB 3.37Å; P440-T444 PolarHBondContact O-N 3.47Å; P440-T444 PolarHBondContact O-OG1 3.33Å; P440-A477 HydrophobicContact CB-CB 3.89Å
441	T	82	Confident	85.1	Confident	81 Å²	81	19 Å²	19	50%	0.497	13%	0.128	S	C	.	.	H	α-helix	trans	-62.4	-48.9	178.7	-52.1	0	0	0	0	111.6	S439 T444 F445	S439-T441 PolarHBondContact O-N 2.7Å; T441-T444 PolarHBondContact O-N 3.35Å; T441-F445 WeakPolarHBondContact O-CB 3.31Å; T441-F445 PolarHBondContact O-N 2.9Å
442	I	83.8	Confident	84.9	Confident	19 Å²	19	19.4 Å²	19.4	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-44.3	-178.4	-68.7	171.7	0	0	0	110.2	L370 N371 F374 V438 S439 T444 F445 L446	L370-I442 HydrophobicContact CB-CG2 4.17Å; N371-I442 HydrophobicContact CB-CD1 4.49Å; N371-I442 WeakPolarHBondContact OD1-CD1 3.32Å; F374-I442 HydrophobicContact CB-CG1 4.44Å; F374-I442 HydrophobicContact CB-CG2 4.14Å; F374-I442 HydrophobicContact CD1-CG1 4.26Å; F374-I442 HydrophobicContact CD2-CB 4.4Å; F374-I442 HydrophobicContact CD2-CG1 3.97Å; F374-I442 HydrophobicContact CD2-CG2 4.39Å; F374-I442 HydrophobicContact CE2-CG1 4.24Å; F374-I442 HydrophobicContact CG-CG1 3.99Å; F374-I442 HydrophobicContact CG-CG2 4.44Å; V438-I442 HydrophobicContact CG2-CB 4.45Å; V438-I442 HydrophobicContact CG2-CG2 4.3Å; S439-I442 PolarHBondContact O-N 2.96Å; S439-I442 WeakPolarHBondContact OG-CB 3.43Å; S439-I442 WeakPolarHBondContact OG-CD1 3.41Å; S439-I442 WeakPolarHBondContact OG-CG1 3.47Å; S439-I442 PolarHBondContact OG-N 2.92Å; S439-I442 VanDerWaalsContact OG-N 3.13Å; I442-T444 PolarHBondContact O-N 3.01Å; I442-F445 PolarHBondContact O-N 2.95Å; I442-L446 HydrophobicContact CG2-CD1 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.41Å; I442-L446 WeakPolarHBondContact O-CB 3.47Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.43Å
443	L	87.1	Confident	84.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.5	-176.5	60.3	0	0	0	111.7	V438 S439 L446 R447 F454 E456 A477	V438-L443 HydrophobicContact CG1-CB 4.15Å; V438-L443 HydrophobicContact CG1-CD2 4.05Å; V438-L443 HydrophobicContact CG1-CG 4.49Å; V438-L443 HydrophobicContact CG2-CB 4.3Å; S439-L443 PolarHBondContact O-N 2.82Å; L443-L446 PolarHBondContact O-N 2.98Å; L443-R447 WeakPolarHBondContact O-CB 3.29Å; L443-R447 WeakPolarHBondContact O-CG 3.21Å; L443-R447 PolarHBondContact O-N 2.95Å; L443-F454 HydrophobicContact CD1-CD1 3.95Å; L443-F454 HydrophobicContact CD1-CD2 4.28Å; L443-F454 HydrophobicContact CD1-CE1 3.73Å; L443-F454 HydrophobicContact CD1-CE2 4.07Å; L443-F454 HydrophobicContact CD1-CG 4.21Å; L443-F454 HydrophobicContact CD1-CZ 3.78Å; L443-E456 HydrophobicContact CD2-CB 4.25Å; L443-E456 WeakPolarHBondContact CD2-OE2 3.43Å; L443-A477 HydrophobicContact CD2-CB 4.14Å
444	T	91	Very high	85.1	Confident	24 Å²	24	19.8 Å²	19.8	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-44.1	178	-56.5	0	0	0	0	111.3	F394 E398 P440 T441 I442 A448	F394-T444 HydrophobicContact CE2-CG2 4.38Å; F394-T444 HydrophobicContact CZ-CG2 4.17Å; E398-T444 HydrophobicContact CG-CG2 4.01Å; P440-T444 VanDerWaalsContact O-CB 3.24Å; P440-T444 WeakPolarHBondContact O-CB 3.37Å; P440-T444 PolarHBondContact O-N 3.47Å; P440-T444 PolarHBondContact O-OG1 3.33Å; T441-T444 PolarHBondContact O-N 3.35Å; I442-T444 PolarHBondContact O-N 3.01Å; T444-A448 WeakPolarHBondContact O-CB 3.33Å; T444-A448 PolarHBondContact O-N 2.67Å
445	F	91.2	Very high	85.6	Confident	3 Å²	3	19.6 Å²	19.6	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175.6	178.6	-93.6	0	0	0	112.3	F374 V377 F378 L390 F394 F417 T441 I442 A448 A449	F374-F445 HydrophobicContact CD2-CB 4Å; F374-F445 AromaticContact CD2-CD1 3.45Å; F374-F445 HydrophobicContact CD2-CD1 3.45Å; F374-F445 VanDerWaalsContact CD2-CD1 3.45Å; F374-F445 HydrophobicContact CD2-CE1 4.09Å; F374-F445 AromaticContact CD2-CG 3.81Å; F374-F445 HydrophobicContact CD2-CG 3.81Å; F374-F445 HydrophobicContact CE2-CB 3.8Å; F374-F445 AromaticContact CE2-CD1 3.84Å; F374-F445 HydrophobicContact CE2-CD1 3.84Å; F374-F445 HydrophobicContact CE2-CD2 4.31Å; F374-F445 AromaticContact CE2-CG 3.71Å; F374-F445 HydrophobicContact CE2-CG 3.71Å; V377-F445 HydrophobicContact CB-CE1 4.27Å; V377-F445 HydrophobicContact CB-CZ 4.4Å; V377-F445 HydrophobicContact CG1-CE1 4.03Å; V377-F445 HydrophobicContact CG1-CZ 3.71Å; F378-F445 HydrophobicContact CD2-CE1 4.43Å; F378-F445 HydrophobicContact CD2-CZ 4.22Å; F378-F445 HydrophobicContact CE2-CD1 4.19Å; F378-F445 AromaticContact CE2-CD2 3.81Å; F378-F445 HydrophobicContact CE2-CD2 3.81Å; F378-F445 AromaticContact CE2-CE1 3.9Å; F378-F445 HydrophobicContact CE2-CE1 3.9Å; F378-F445 AromaticContact CE2-CE2 3.49Å; F378-F445 HydrophobicContact CE2-CE2 3.49Å; F378-F445 VanDerWaalsContact CE2-CE2 3.49Å; F378-F445 HydrophobicContact CE2-CG 4.13Å; F378-F445 AromaticContact CE2-CZ 3.53Å; F378-F445 HydrophobicContact CE2-CZ 3.53Å; F378-F445 HydrophobicContact CZ-CD2 4.04Å; F378-F445 AromaticContact CZ-CE2 3.77Å; F378-F445 HydrophobicContact CZ-CE2 3.77Å; F378-F445 HydrophobicContact CZ-CZ 4.23Å; L390-F445 HydrophobicContact CD1-CE2 4.26Å; L390-F445 HydrophobicContact CD1-CZ 4.23Å; L390-F445 HydrophobicContact CG-CE2 4.48Å; F394-F445 HydrophobicContact CB-CD2 4.44Å; F394-F445 HydrophobicContact CB-CE2 4.39Å; F394-F445 HydrophobicContact CD1-CD2 4.45Å; F394-F445 AromaticContact CD2-CD2 3.68Å; F394-F445 HydrophobicContact CD2-CD2 3.68Å; F394-F445 HydrophobicContact CD2-CE2 4.35Å; F394-F445 HydrophobicContact CD2-CG 4.48Å; F394-F445 VanDerWaalsContact CE2-CA 3.47Å; F394-F445 HydrophobicContact CE2-CB 4.14Å; F394-F445 HydrophobicContact CE2-CD2 4.09Å; F394-F445 AromaticContact CG-CD2 3.91Å; F394-F445 HydrophobicContact CG-CD2 3.91Å; F394-F445 HydrophobicContact CG-CE2 4.34Å; F394-F445 HydrophobicContact CZ-CB 4.48Å; F417-F445 HydrophobicContact CE1-CZ 4.41Å; T441-F445 WeakPolarHBondContact O-CB 3.31Å; T441-F445 PolarHBondContact O-N 2.9Å; I442-F445 PolarHBondContact O-N 2.95Å; F445-A448 WeakPolarHBondContact O-CB 3.4Å; F445-A448 PolarHBondContact O-N 2.94Å; F445-A449 HydrophobicContact CE1-CB 4.28Å; F445-A449 WeakPolarHBondContact O-CB 3.48Å; F445-A449 PolarHBondContact O-N 3.31Å
446	L	91.9	Very high	86.7	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-69.8	-36.1	-177.5	-68.5	174.2	0	0	0	112.4	L370 M373 I442 L443 A448 A449 L450 F454	L370-L446 HydrophobicContact CB-CD1 3.69Å; L370-L446 HydrophobicContact CD2-CD1 3.52Å; L370-L446 HydrophobicContact CG-CD1 4.16Å; M373-L446 HydrophobicContact CB-CD2 4.47Å; I442-L446 HydrophobicContact CG2-CD1 3.78Å; I442-L446 HydrophobicContact CG2-CG 4.41Å; I442-L446 WeakPolarHBondContact O-CB 3.47Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.43Å; L443-L446 PolarHBondContact O-N 2.98Å; L446-A448 VanDerWaalsContact C-N 3.29Å; L446-A448 PolarHBondContact O-N 2.81Å; L446-A449 PolarHBondContact O-N 2.99Å; L446-L450 HydrophobicContact CB-CD1 4.46Å; L446-L450 VanDerWaalsContact O-CB 3.25Å; L446-L450 WeakPolarHBondContact O-CB 3.47Å; L446-L450 WeakPolarHBondContact O-CG 3.19Å; L446-L450 PolarHBondContact O-N 3.34Å; L446-F454 HydrophobicContact CB-CE1 4.02Å
447	R	93.1	Very high	88	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.019	11%	0.109	C	C	.	.	H	α-helix	trans	-54.8	-47.2	168.8	-83.5	172.2	175.6	166	0.9	111.1	L401 L443 G451 F454 W475 S476	L401-R447 HydrophobicContact CD1-CB 3.81Å; L443-R447 WeakPolarHBondContact O-CB 3.29Å; L443-R447 WeakPolarHBondContact O-CG 3.21Å; L443-R447 PolarHBondContact O-N 2.95Å; R447-G451 PolarHBondContact O-N 3.47Å; R447-F454 HydrophobicContact CG-CB 3.82Å; R447-F454 HydrophobicContact CG-CD1 3.99Å; R447-F454 HydrophobicContact CG-CG 4.24Å; R447-F454 PolarHBondContact NE-O 2.79Å; R447-F454 PolarHBondContact NH2-O 3.2Å; R447-W475 PolarHBondContact NH1-O 2.93Å; R447-S476 PolarHBondContact NH1-O 2.79Å
448	A	92.8	Very high	89.3	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.4	-49.5	179.9	0	0	0	0	0	111.1	F394 K397 L401 T444 F445 L446	F394-A448 HydrophobicContact CD2-CB 3.72Å; F394-A448 HydrophobicContact CE2-CB 3.77Å; K397-A448 HydrophobicContact CB-CB 3.84Å; K397-A448 WeakPolarHBondContact CE-O 3.21Å; K397-A448 PolarHBondContact NZ-O 2.98Å; L401-A448 HydrophobicContact CD1-CB 3.81Å; T444-A448 WeakPolarHBondContact O-CB 3.33Å; T444-A448 PolarHBondContact O-N 2.67Å; F445-A448 WeakPolarHBondContact O-CB 3.4Å; F445-A448 PolarHBondContact O-N 2.94Å; L446-A448 VanDerWaalsContact C-N 3.29Å; L446-A448 PolarHBondContact O-N 2.81Å
449	A	93.1	Very high	90.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-42.5	-177	0	0	0	0	0	112.9	F417 Q421 F445 L446	F417-A449 WeakPolarHBondContact CB-O 3.48Å; F417-A449 VanDerWaalsContact CD1-CA 3.48Å; F417-A449 HydrophobicContact CD1-CB 3.4Å; F417-A449 HydrophobicContact CE1-CB 3.66Å; F417-A449 HydrophobicContact CG-CB 4.11Å; Q421-A449 PolarHBondContact NE2-O 3.01Å; F445-A449 HydrophobicContact CE1-CB 4.28Å; F445-A449 WeakPolarHBondContact O-CB 3.48Å; F445-A449 PolarHBondContact O-N 3.31Å; L446-A449 PolarHBondContact O-N 2.99Å
450	L	93.4	Very high	91	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-82.2	-30.3	-176.2	-63.4	173.4	0	0	0	112.2	V420 Q421 L424 M431 L446 C452	V420-L450 HydrophobicContact CG1-CD2 3.88Å; Q421-L450 HydrophobicContact CG-CD2 4.48Å; L424-L450 HydrophobicContact CD1-CD1 3.99Å; L424-L450 HydrophobicContact CD1-CD2 3.64Å; L424-L450 HydrophobicContact CD1-CG 4.5Å; M431-L450 HydrophobicContact CE-CD1 4.06Å; M431-L450 HydrophobicContact SD-CD1 3.43Å; M431-L450 WeakPolarHBondContact SD-CD1 3.48Å; L446-L450 HydrophobicContact CB-CD1 4.46Å; L446-L450 VanDerWaalsContact O-CB 3.25Å; L446-L450 WeakPolarHBondContact O-CB 3.47Å; L446-L450 WeakPolarHBondContact O-CG 3.19Å; L446-L450 PolarHBondContact O-N 3.34Å; L450-C452 PolarHBondContact O-N 2.79Å
451	G	91.5	Very high	91.5	Very high	9 Å²	9	14.7 Å²	14.7	9%	0.093	9%	0.09	C	C	.	.			trans	63.6	22.7	178	0	0	0	0	0	113.8	R407 R447	R407-G451 CarbonylContact C-O 3.57Å; R407-G451 WeakPolarHBondContact O-CA 3.33Å; R447-G451 PolarHBondContact O-N 3.47Å
452	C	92.3	Very high	92.2	Very high	8 Å²	8	11.4 Å²	11.4	5%	0.054	7%	0.069	C	C	.	.	S	Bend	trans	-112.1	166.5	-179.4	73.9	0	0	0	0	111	L450 F454	L450-C452 PolarHBondContact O-N 2.79Å; C452-F454 PolarHBondContact O-N 3Å
453	Q	92.6	Very high	92.7	Very high	17 Å²	17	10.5 Å²	10.5	8%	0.079	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.5	175.8	-60.3	-65.9	-79.1	0	0	108.9	L51 S308 M406 R429 L430 M431 Y455	L51-Q453 VanDerWaalsContact CD1-NE2 3.29Å; S308-Q453 VanDerWaalsContact OG-CG 3.32Å; S308-Q453 WeakPolarHBondContact OG-CG 3.5Å; M406-Q453 PolarHBondContact SD-NE2 2.82Å; R429-Q453 WeakPolarHBondContact O-CB 3.22Å; R429-Q453 PolarHBondContact O-N 2.96Å; L430-Q453 CarbonylContact C-O 3.59Å; L430-Q453 WeakPolarHBondContact CA-O 3.44Å; L430-Q453 HydrophobicContact CD1-CB 4.06Å; M431-Q453 PolarHBondContact N-O 3.08Å; Q453-Y455 HydrophobicContact CB-CE2 4.19Å; Q453-Y455 PolarHBondContact OE1-OH 2.81Å
454	F	93.4	Very high	93.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	107.5	-172.2	-165.6	177.9	0	0	0	112	V365 L370 M431 T433 L443 L446 R447 C452	V365-F454 HydrophobicContact CG1-CE2 3.9Å; V365-F454 HydrophobicContact CG1-CZ 3.9Å; L370-F454 HydrophobicContact CD1-CZ 3.79Å; L370-F454 HydrophobicContact CD2-CE1 3.98Å; L370-F454 HydrophobicContact CD2-CZ 3.51Å; L370-F454 HydrophobicContact CG-CZ 4.34Å; M431-F454 HydrophobicContact CB-CB 4.34Å; M431-F454 HydrophobicContact CB-CD1 4.47Å; M431-F454 HydrophobicContact CB-CD2 3.52Å; M431-F454 HydrophobicContact CB-CE2 3.87Å; M431-F454 HydrophobicContact CB-CG 3.87Å; M431-F454 HydrophobicContact CB-CZ 4.49Å; M431-F454 HydrophobicContact CE-CE1 4.2Å; M431-F454 HydrophobicContact CE-CE2 4.44Å; M431-F454 HydrophobicContact CE-CZ 4.07Å; M431-F454 WeakPolarHBondContact O-CA 3.46Å; T433-F454 HydrophobicContact CG2-CE2 3.88Å; T433-F454 HydrophobicContact CG2-CZ 4.36Å; L443-F454 HydrophobicContact CD1-CD1 3.95Å; L443-F454 HydrophobicContact CD1-CD2 4.28Å; L443-F454 HydrophobicContact CD1-CE1 3.73Å; L443-F454 HydrophobicContact CD1-CE2 4.07Å; L443-F454 HydrophobicContact CD1-CG 4.21Å; L443-F454 HydrophobicContact CD1-CZ 3.78Å; L446-F454 HydrophobicContact CB-CE1 4.02Å; R447-F454 HydrophobicContact CG-CB 3.82Å; R447-F454 HydrophobicContact CG-CD1 3.99Å; R447-F454 HydrophobicContact CG-CG 4.24Å; R447-F454 PolarHBondContact NE-O 2.79Å; R447-F454 PolarHBondContact NH2-O 3.2Å; C452-F454 PolarHBondContact O-N 3Å
455	Y	93.8	Very high	93.3	Very high	3 Å²	3	10.1 Å²	10.1	1%	0.012	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.8	-173.7	-50.4	-50.6	0	0	0	112.7	T304 S308 L430 M431 I432 T433 Q453 M469 S470 P472	T304-Y455 HydrophobicContact CG2-CD2 4.42Å; T304-Y455 HydrophobicContact CG2-CE2 3.92Å; S308-Y455 PolarHBondContact OG-OH 3.21Å; L430-Y455 HydrophobicContact CD1-CD2 3.73Å; L430-Y455 HydrophobicContact CD1-CE2 3.44Å; L430-Y455 VanDerWaalsContact CD1-CE2 3.44Å; M431-Y455 PolarHBondContact O-N 2.91Å; I432-Y455 CarbonylContact C-O 3.59Å; I432-Y455 WeakPolarHBondContact CA-O 3.16Å; T433-Y455 PolarHBondContact N-O 2.75Å; Q453-Y455 HydrophobicContact CB-CE2 4.19Å; Q453-Y455 PolarHBondContact OE1-OH 2.81Å; Y455-M469 HydrophobicContact CD2-SD 4.49Å; Y455-S470 VanDerWaalsContact CA-OG 3.24Å; Y455-S470 WeakPolarHBondContact CA-OG 3.49Å; Y455-S470 WeakPolarHBondContact CB-OG 3.28Å; Y455-P472 HydrophobicContact CE1-CB 4.18Å; Y455-P472 HydrophobicContact CE1-CG 4.05Å; Y455-P472 WeakPolarHBondContact OH-CB 3.32Å; Y455-P472 WeakPolarHBondContact OH-CG 3.42Å
456	E	92.8	Very high	93.4	Very high	12 Å²	12	10.7 Å²	10.7	6%	0.056	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.1	170.6	-176.6	173	-172.3	0	0	108.5	T433 V438 L443 M469 S470 V480	T433-E456 HydrophobicContact CG2-CB 4.17Å; T433-E456 HydrophobicContact CG2-CG 4.22Å; T433-E456 WeakPolarHBondContact O-CA 3.45Å; V438-E456 HydrophobicContact CG1-CG 4.45Å; L443-E456 HydrophobicContact CD2-CB 4.25Å; L443-E456 WeakPolarHBondContact CD2-OE2 3.43Å; E456-M469 WeakPolarHBondContact O-CA 3.16Å; E456-S470 PolarHBondContact N-OG 3.41Å; E456-S470 PolarHBondContact O-N 3.42Å; E456-S470 PolarHBondContact O-OG 2.96Å; E456-V480 HydrophobicContact CG-CG1 4.4Å
457	G	92.9	Very high	93.6	Very high	17 Å²	17	10.6 Å²	10.6	18%	0.175	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.1	179.9	0	0	0	0	0	112.4	T433 G434 T468	T433-G457 PolarHBondContact O-N 3.25Å; G434-G457 VanDerWaalsContact CA-O 3.32Å; G434-G457 WeakPolarHBondContact CA-O 3.13Å; G457-T468 VanDerWaalsContact CA-O 3.29Å; G457-T468 WeakPolarHBondContact CA-O 3.38Å
458	Y	94.7	Very high	93.8	Very high	23 Å²	23	10.3 Å²	10.3	9%	0.09	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144	175.7	163.2	-100.7	0	0	0	110.8	C467 T468 V480 V508 T538 D540 L550 I552	Y458-C467 WeakPolarHBondContact CD1-SG 3.47Å; Y458-C467 WeakPolarHBondContact CE1-SG 3.41Å; Y458-C467 PolarHBondContact O-N 3.2Å; Y458-C467 PolarHBondContact O-SG 3.05Å; Y458-T468 PolarHBondContact N-O 2.94Å; Y458-T468 PolarHBondContact O-N 3.3Å; Y458-T468 VanDerWaalsContact O-N 3.15Å; Y458-V480 HydrophobicContact CG-CG2 4.32Å; Y458-V508 HydrophobicContact CE1-CG1 4.12Å; Y458-T538 VanDerWaalsContact OH-CB 3.31Å; Y458-T538 WeakPolarHBondContact OH-CB 3.18Å; Y458-T538 PolarHBondContact OH-OG1 3.06Å; Y458-T538 VanDerWaalsContact OH-OG1 3.11Å; Y458-D540 HydrophobicContact CE2-CB 4.29Å; Y458-D540 WeakPolarHBondContact CE2-OD2 3.48Å; Y458-D540 VanDerWaalsContact CZ-OD2 3.29Å; Y458-D540 WeakPolarHBondContact OH-CB 3.45Å; Y458-D540 PolarHBondContact OH-OD2 3.31Å; Y458-L550 HydrophobicContact CD1-CD2 4.49Å; Y458-I552 HydrophobicContact CD1-CD1 3.84Å; Y458-I552 HydrophobicContact CD1-CG1 4.38Å; Y458-I552 HydrophobicContact CD2-CD1 3.89Å; Y458-I552 HydrophobicContact CD2-CG1 3.74Å; Y458-I552 HydrophobicContact CE1-CD1 3.88Å; Y458-I552 HydrophobicContact CE2-CD1 3.91Å; Y458-I552 HydrophobicContact CE2-CG1 4.12Å; Y458-I552 HydrophobicContact CG-CD1 3.87Å; Y458-I552 HydrophobicContact CG-CG1 3.9Å
459	G	92.9	Very high	94	Very high	21 Å²	21	10.8 Å²	10.8	22%	0.216	7%	0.071	C	C	.	.			trans	164.1	-168.9	169.3	0	0	0	0	0	111	A465	G459-A465 CarbonylContact C-O 3.5Å; G459-A465 WeakPolarHBondContact CA-O 3.5Å
460	Q	92.5	Very high	94.1	Very high	42 Å²	42	10.8 Å²	10.8	20%	0.196	7%	0.071	C	C	.	.			trans	-148	173.6	-172	55.9	177.5	-10.9	0	0	110.6	E462 C463 T464 A465	Q460-E462 VanDerWaalsContact C-N 3.26Å; Q460-E462 HydrophobicContact CG-CB 4.19Å; Q460-E462 PolarHBondContact O-N 2.96Å; Q460-C463 PolarHBondContact N-SG 2.98Å; Q460-C463 CarbonylContact O-C 3.44Å; Q460-C463 PolarHBondContact O-N 3.11Å; Q460-C463 PolarHBondContact O-SG 3.29Å; Q460-C463 VanDerWaalsContact O-SG 3.4Å; Q460-T464 PolarHBondContact O-N 3.23Å; Q460-A465 PolarHBondContact N-O 2.95Å; Q460-A465 PolarHBondContact O-N 3.04Å
461	T	93.3	Very high	94	Very high	12 Å²	12	10.4 Å²	10.4	7%	0.074	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-58.8	-40.6	178.5	-58.6	0	0	0	0	111.5	C274 T276 A286 L288 M325 C463 T464	C274-T461 HydrophobicContact CB-CG2 3.46Å; C274-T461 VanDerWaalsContact CB-CG2 3.46Å; T276-T461 HydrophobicContact CG2-CG2 3.8Å; T276-T461 WeakPolarHBondContact CG2-OG1 3.27Å; A286-T461 HydrophobicContact CB-CG2 3.7Å; L288-T461 HydrophobicContact CD1-CG2 4.2Å; M325-T461 HydrophobicContact CG-CG2 4Å; T461-C463 PolarHBondContact O-N 3.12Å; T461-T464 PolarHBondContact O-N 2.92Å
462	E	96.3	Very high	94	Very high	12 Å²	12	10 Å²	10	6%	0.056	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-64.5	-17.6	-178.4	-67.5	83.7	168.3	0	0	113.6	Q460 F516 Y519 L536	Q460-E462 VanDerWaalsContact C-N 3.26Å; Q460-E462 HydrophobicContact CG-CB 4.19Å; Q460-E462 PolarHBondContact O-N 2.96Å; E462-F516 HydrophobicContact CB-CD1 4.09Å; E462-F516 HydrophobicContact CB-CD2 4.14Å; E462-F516 HydrophobicContact CB-CE1 4.07Å; E462-F516 HydrophobicContact CB-CE2 4.13Å; E462-F516 HydrophobicContact CB-CG 4.14Å; E462-F516 HydrophobicContact CB-CZ 4.09Å; E462-F516 HydrophobicContact CG-CD2 3.89Å; E462-F516 HydrophobicContact CG-CE1 4.21Å; E462-F516 HydrophobicContact CG-CE2 3.53Å; E462-F516 HydrophobicContact CG-CG 4.39Å; E462-F516 HydrophobicContact CG-CZ 3.71Å; E462-F516 WeakPolarHBondContact O-CB 2.9Å; E462-F516 WeakPolarHBondContact O-CD1 3.36Å; E462-F516 PolarHBondContact O-N 3.41Å; E462-Y519 HydrophobicContact CG-CE1 4.05Å; E462-Y519 WeakPolarHBondContact CG-OH 3.44Å; E462-Y519 WeakPolarHBondContact OE1-CE1 3.39Å; E462-Y519 PolarHBondContact OE1-OH 3.14Å; E462-L536 HydrophobicContact CB-CD1 3.93Å; E462-L536 HydrophobicContact CB-CD2 3.69Å; E462-L536 HydrophobicContact CB-CG 4.45Å
463	C	95	Very high	93.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-116.4	23.7	171.2	66.1	0	0	0	0	113.1	Q460 T461 C467 V510 N514 L536	Q460-C463 PolarHBondContact N-SG 2.98Å; Q460-C463 CarbonylContact O-C 3.44Å; Q460-C463 PolarHBondContact O-N 3.11Å; Q460-C463 PolarHBondContact O-SG 3.29Å; Q460-C463 VanDerWaalsContact O-SG 3.4Å; T461-C463 PolarHBondContact O-N 3.12Å; C463-C467 HydrophobicContact CB-CB 4.48Å; C463-V510 HydrophobicContact CB-CG1 4.48Å; C463-N514 CarbonylContact C-O 3.21Å; C463-N514 WeakPolarHBondContact CA-O 3.35Å; C463-N514 PolarHBondContact O-ND2 3.33Å; C463-L536 HydrophobicContact CB-CD2 3.92Å
464	T	96.4	Very high	93.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	56	175.2	-46.1	0	0	0	0	112.8	L288 N292 V293 N296 M325 V329 Q460 T461 G466 N514	L288-T464 VanDerWaalsContact CD2-OG1 3.31Å; L288-T464 WeakPolarHBondContact CD2-OG1 3.46Å; N292-T464 HydrophobicContact CB-CG2 4.47Å; N292-T464 WeakPolarHBondContact CB-OG1 3.29Å; V293-T464 HydrophobicContact CB-CG2 4.39Å; V293-T464 HydrophobicContact CG2-CG2 4.04Å; N296-T464 HydrophobicContact CB-CG2 4.05Å; N296-T464 PolarHBondContact ND2-O 3.4Å; N296-T464 PolarHBondContact OD1-O 2.85Å; N296-T464 VanDerWaalsContact OD1-O 3.14Å; M325-T464 HydrophobicContact CE-CG2 3.75Å; V329-T464 HydrophobicContact CG2-CG2 4.24Å; Q460-T464 PolarHBondContact O-N 3.23Å; T461-T464 PolarHBondContact O-N 2.92Å; T464-G466 PolarHBondContact O-N 3.49Å; T464-G466 VanDerWaalsContact O-N 3.14Å; T464-N514 WeakPolarHBondContact CB-O 3.26Å; T464-N514 PolarHBondContact N-O 2.84Å; T464-N514 PolarHBondContact OG1-O 2.91Å
465	A	93.8	Very high	93.4	Very high	16 Å²	16	14.5 Å²	14.5	13%	0.132	8%	0.082	C	C	.	.	S	Bend	trans	75.9	-76.9	-179.4	0	0	0	0	0	115.4	M325 F326 V329 G459 Q460	M325-A465 HydrophobicContact CB-CB 4.1Å; F326-A465 HydrophobicContact CB-CB 4.41Å; V329-A465 HydrophobicContact CB-CB 4.42Å; V329-A465 HydrophobicContact CG2-CB 3.94Å; G459-A465 CarbonylContact C-O 3.5Å; G459-A465 WeakPolarHBondContact CA-O 3.5Å; Q460-A465 PolarHBondContact N-O 2.95Å; Q460-A465 PolarHBondContact O-N 3.04Å
466	G	93.6	Very high	93.2	Very high	15 Å²	15	16 Å²	16	16%	0.155	9%	0.092	C	C	.	.			trans	-99.9	138.8	-173.5	0	0	0	0	0	112.8	N296 T464 N514	N296-G466 PolarHBondContact ND2-O 2.85Å; N296-G466 PolarHBondContact OD1-N 3.11Å; T464-G466 PolarHBondContact O-N 3.49Å; T464-G466 VanDerWaalsContact O-N 3.14Å; G466-N514 PolarHBondContact O-ND2 3.36Å
467	C	95.9	Very high	93	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-123.2	-30.7	165.3	63.5	0	0	0	0	112.9	Y458 C463 L484 N487 V510	Y458-C467 WeakPolarHBondContact CD1-SG 3.47Å; Y458-C467 WeakPolarHBondContact CE1-SG 3.41Å; Y458-C467 PolarHBondContact O-N 3.2Å; Y458-C467 PolarHBondContact O-SG 3.05Å; C463-C467 HydrophobicContact CB-CB 4.48Å; C467-L484 WeakPolarHBondContact O-CB 3.33Å; C467-L484 WeakPolarHBondContact O-CG 3.25Å; C467-L484 PolarHBondContact O-N 2.91Å; C467-N487 WeakPolarHBondContact CA-ND2 3.37Å; C467-N487 PolarHBondContact O-ND2 2.85Å; C467-N487 VanDerWaalsContact O-ND2 3.09Å; C467-N487 PolarHBondContact O-OD1 3.32Å; C467-V510 HydrophobicContact CB-CG1 4.07Å; C467-V510 HydrophobicContact CB-CG2 4.13Å
468	T	97.6	Very high	92.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.8	169.7	71.4	0	0	0	0	110.2	G457 Y458 V480 P482 V489 L550	G457-T468 VanDerWaalsContact CA-O 3.29Å; G457-T468 WeakPolarHBondContact CA-O 3.38Å; Y458-T468 PolarHBondContact N-O 2.94Å; Y458-T468 PolarHBondContact O-N 3.3Å; Y458-T468 VanDerWaalsContact O-N 3.15Å; T468-V480 CarbonylContact C-O 3.53Å; T468-V480 VanDerWaalsContact C-O 3.26Å; T468-V480 VanDerWaalsContact CB-O 3.31Å; T468-V480 WeakPolarHBondContact CB-O 3.38Å; T468-V480 WeakPolarHBondContact OG1-CB 3.39Å; T468-V480 VanDerWaalsContact OG1-CG2 3.22Å; T468-V480 WeakPolarHBondContact OG1-CG2 3.23Å; T468-V480 PolarHBondContact OG1-O 3.12Å; T468-P482 VanDerWaalsContact CA-O 3.24Å; T468-P482 WeakPolarHBondContact CA-O 3.29Å; T468-P482 VanDerWaalsContact CB-O 3.23Å; T468-P482 WeakPolarHBondContact CB-O 3.43Å; T468-V489 HydrophobicContact CG2-CG2 4.19Å; T468-L550 HydrophobicContact CG2-CB 4.4Å; T468-L550 HydrophobicContact CG2-CD2 3.94Å
469	M	96.6	Very high	92.6	Very high	9 Å²	9	16 Å²	16	4%	0.044	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	140.1	174.1	-173.4	176.3	70.1	0	0	111.3	F300 V303 T304 Y455 E456 V480 P482 L484	F300-M469 HydrophobicContact CD2-CE 3.85Å; F300-M469 HydrophobicContact CD2-SD 3.62Å; F300-M469 HydrophobicContact CE2-CE 3.98Å; F300-M469 HydrophobicContact CE2-SD 3.54Å; F300-M469 VanDerWaalsContact CE2-SD 3.54Å; V303-M469 HydrophobicContact CB-CE 3.67Å; V303-M469 HydrophobicContact CG1-CE 3.31Å; V303-M469 HydrophobicContact CG2-CE 4.25Å; T304-M469 HydrophobicContact CG2-CE 4.27Å; Y455-M469 HydrophobicContact CD2-SD 4.49Å; E456-M469 WeakPolarHBondContact O-CA 3.16Å; M469-V480 CarbonylContact C-O 3.57Å; M469-V480 VanDerWaalsContact CA-O 3.22Å; M469-V480 WeakPolarHBondContact CA-O 3.49Å; M469-V480 PolarHBondContact N-O 3Å; M469-P482 PolarHBondContact N-O 2.73Å; M469-P482 WeakPolarHBondContact O-CD 3.35Å; M469-L484 HydrophobicContact CB-CD2 3.86Å
470	S	94.8	Very high	92.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-57.1	139.2	173.6	64.2	0	0	0	0	112	Y455 E456	Y455-S470 VanDerWaalsContact CA-OG 3.24Å; Y455-S470 WeakPolarHBondContact CA-OG 3.49Å; Y455-S470 WeakPolarHBondContact CB-OG 3.28Å; E456-S470 PolarHBondContact N-OG 3.41Å; E456-S470 PolarHBondContact O-N 3.42Å; E456-S470 PolarHBondContact O-OG 2.96Å
471	M	92.4	Very high	92.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-80.5	144	-174	-166.4	65.1	63.8	0	0	112.5	P54 L57 Q60 L75 V303 G473 D474 P482	P54-M471 HydrophobicContact CB-SD 4Å; P54-M471 HydrophobicContact CG-CG 4.35Å; P54-M471 HydrophobicContact CG-SD 3.83Å; L57-M471 HydrophobicContact CD2-CB 4.17Å; L57-M471 HydrophobicContact CD2-CG 4.15Å; Q60-M471 VanDerWaalsContact OE1-CB 3.25Å; L75-M471 HydrophobicContact CD1-CE 4.13Å; L75-M471 HydrophobicContact CD1-SD 4.21Å; V303-M471 HydrophobicContact CG1-SD 3.98Å; M471-G473 PolarHBondContact O-N 3.38Å; M471-D474 HydrophobicContact CB-CB 4.4Å; M471-D474 VanDerWaalsContact O-CB 3.29Å; M471-D474 WeakPolarHBondContact O-CB 3.17Å; M471-D474 PolarHBondContact O-N 3.09Å; M471-P482 HydrophobicContact CE-CG 3.68Å
472	P	90.9	Very high	93	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.8	169.5	-24	32.1	0	0	0	112.5	P53 P54 V303 Y455 D474	P53-P472 WeakPolarHBondContact CA-O 3.46Å; P53-P472 WeakPolarHBondContact CB-O 3.27Å; P54-P472 VanDerWaalsContact CD-O 3.31Å; P54-P472 WeakPolarHBondContact CD-O 3.38Å; P54-P472 HydrophobicContact CG-CB 4.2Å; P54-P472 HydrophobicContact CG-CG 4.03Å; V303-P472 HydrophobicContact CG1-CG 4.23Å; V303-P472 WeakPolarHBondContact O-CG 3.39Å; Y455-P472 HydrophobicContact CE1-CB 4.18Å; Y455-P472 HydrophobicContact CE1-CG 4.05Å; Y455-P472 WeakPolarHBondContact OH-CB 3.32Å; Y455-P472 WeakPolarHBondContact OH-CG 3.42Å; P472-D474 VanDerWaalsContact C-N 3.33Å
473	G	87.6	Confident	93.1	Very high	4 Å²	4	12.5 Å²	12.5	4%	0.041	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-13.3	-175.4	0	0	0	0	0	114.6	L57 M471 W475	L57-G473 WeakPolarHBondContact CD1-O 3.5Å; M471-G473 PolarHBondContact O-N 3.38Å; G473-W475 PolarHBondContact O-N 2.96Å
474	D	90.4	Very high	93.2	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.048	8%	0.079	C	C	.	.			trans	-76.3	112.7	169.2	-165.7	-14.5	0	0	0	109.8	L57 Q60 M471 P472 S476 H479	L57-D474 HydrophobicContact CD1-CB 4.43Å; L57-D474 HydrophobicContact CD2-CB 4.03Å; Q60-D474 PolarHBondContact NE2-OD2 3.47Å; M471-D474 HydrophobicContact CB-CB 4.4Å; M471-D474 VanDerWaalsContact O-CB 3.29Å; M471-D474 WeakPolarHBondContact O-CB 3.17Å; M471-D474 PolarHBondContact O-N 3.09Å; P472-D474 VanDerWaalsContact C-N 3.33Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.21Å; D474-S476 PolarHBondContact OD1-OG 3.26Å; D474-H479 IonicContact OD2-CE1 3.74Å; D474-H479 PolarHBondContact OD2-CE1 3.34Å; D474-H479 IonicContact OD2-NE2 2.83Å
475	W	87.4	Confident	93.2	Very high	107 Å²	107	12.9 Å²	12.9	41%	0.405	8%	0.079	S	C	.	.			trans	-89.2	-14.5	179.4	62.9	-95.4	0	0	0	112.6	L401 K402 R447 G473	L401-W475 HydrophobicContact CB-CB 4.48Å; L401-W475 WeakPolarHBondContact O-CB 3.34Å; K402-W475 HydrophobicContact CB-CD2 4.35Å; K402-W475 HydrophobicContact CB-CZ2 4.42Å; K402-W475 HydrophobicContact CD-CH2 4.22Å; K402-W475 HydrophobicContact CD-CZ3 4.23Å; K402-W475 HydrophobicContact CG-CD2 3.82Å; K402-W475 HydrophobicContact CG-CE3 3.71Å; K402-W475 HydrophobicContact CG-CH2 3.87Å; K402-W475 HydrophobicContact CG-CZ2 3.96Å; K402-W475 HydrophobicContact CG-CZ3 3.75Å; K402-W475 PolarHBondContact O-NE1 3.31Å; R447-W475 PolarHBondContact NH1-O 2.93Å; G473-W475 PolarHBondContact O-N 2.96Å
476	S	90.1	Very high	93.4	Very high	33 Å²	33	12.1 Å²	12.1	23%	0.231	7%	0.072	C	C	.	.			trans	-68.5	158.2	-176.9	69.7	0	0	0	0	111.3	R447 D474 H479	R447-S476 PolarHBondContact NH1-O 2.79Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.21Å; D474-S476 PolarHBondContact OD1-OG 3.26Å; S476-H479 PolarHBondContact O-NE2 2.81Å; S476-H479 PolarHBondContact OG-CD2 3.15Å; S476-H479 PolarHBondContact OG-NE2 2.81Å
477	A	89.1	Confident	93.5	Very high	29 Å²	29	11.4 Å²	11.4	24%	0.24	7%	0.065	C	C	.	.			trans	-137.5	166.6	-172.6	0	0	0	0	0	110.3	P440 L443	P440-A477 HydrophobicContact CB-CB 3.89Å; L443-A477 HydrophobicContact CD2-CB 4.14Å
478	G	85.1	Confident	93.6	Very high	19 Å²	19	11.4 Å²	11.4	20%	0.196	7%	0.065	C	C	.	.	S	Bend	trans	80.4	25.4	-175.8	0	0	0	0	0	113.6	K551	G478-K551 VanDerWaalsContact O-CD 3.31Å; G478-K551 WeakPolarHBondContact O-CD 3.36Å; G478-K551 WeakPolarHBondContact O-CE 3.27Å; G478-K551 VanDerWaalsContact O-CG 3.32Å; G478-K551 WeakPolarHBondContact O-CG 3.32Å
479	H	93	Very high	93.6	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.028	7%	0.065	C	C	.	.	S	Bend	trans	-146.1	164.1	173.2	67.1	81.5	0	0	0	108.9	D474 S476 G481 L545 I549 L550	D474-H479 IonicContact OD2-CE1 3.74Å; D474-H479 PolarHBondContact OD2-CE1 3.34Å; D474-H479 IonicContact OD2-NE2 2.83Å; S476-H479 PolarHBondContact O-NE2 2.81Å; S476-H479 PolarHBondContact OG-CD2 3.15Å; S476-H479 PolarHBondContact OG-NE2 2.81Å; H479-G481 PolarHBondContact ND1-N 2.71Å; H479-L545 HydrophobicContact CB-CD1 4.28Å; H479-I549 HydrophobicContact CB-CD1 3.95Å; H479-I549 HydrophobicContact CB-CG1 4.16Å; H479-I549 VanDerWaalsContact CG-CD1 3.43Å; H479-L550 WeakPolarHBondContact CB-O 3.49Å
480	V	94.1	Very high	93.6	Very high	10 Å²	10	11.9 Å²	11.9	6%	0.061	7%	0.067	C	C	.	.			trans	-112.4	10.4	-176.9	-63	0	0	0	0	112.6	E456 Y458 T468 M469 L550 I552	E456-V480 HydrophobicContact CG-CG1 4.4Å; Y458-V480 HydrophobicContact CG-CG2 4.32Å; T468-V480 CarbonylContact C-O 3.53Å; T468-V480 VanDerWaalsContact C-O 3.26Å; T468-V480 VanDerWaalsContact CB-O 3.31Å; T468-V480 WeakPolarHBondContact CB-O 3.38Å; T468-V480 WeakPolarHBondContact OG1-CB 3.39Å; T468-V480 VanDerWaalsContact OG1-CG2 3.22Å; T468-V480 WeakPolarHBondContact OG1-CG2 3.23Å; T468-V480 PolarHBondContact OG1-O 3.12Å; M469-V480 CarbonylContact C-O 3.57Å; M469-V480 VanDerWaalsContact CA-O 3.22Å; M469-V480 WeakPolarHBondContact CA-O 3.49Å; M469-V480 PolarHBondContact N-O 3Å; V480-L550 HydrophobicContact CG2-CB 4.03Å; V480-L550 HydrophobicContact CG2-CD2 4.24Å; V480-L550 HydrophobicContact CG2-CG 4.19Å; V480-L550 VanDerWaalsContact CG2-O 3.23Å; V480-L550 WeakPolarHBondContact CG2-O 3.49Å; V480-L550 PolarHBondContact N-O 2.93Å; V480-I552 HydrophobicContact CG1-CG1 4.14Å; V480-I552 HydrophobicContact CG2-CD1 4.23Å; V480-I552 HydrophobicContact CG2-CG1 3.91Å
481	G	96.3	Very high	93.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	84.1	-175.5	171.2	0	0	0	0	0	114.1	H479 L550	H479-G481 PolarHBondContact ND1-N 2.71Å; G481-L550 PolarHBondContact O-N 3.49Å
482	P	97.2	Very high	93.8	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.013	8%	0.081	C	C	.	.	S	Bend	trans	-74.7	168	175.1	34.2	-39.7	0	0	0	112.2	Q60 T468 M469 M471	Q60-P482 HydrophobicContact CB-CB 3.97Å; Q60-P482 HydrophobicContact CB-CG 3.95Å; Q60-P482 WeakPolarHBondContact O-CB 3.5Å; T468-P482 VanDerWaalsContact CA-O 3.24Å; T468-P482 WeakPolarHBondContact CA-O 3.29Å; T468-P482 VanDerWaalsContact CB-O 3.23Å; T468-P482 WeakPolarHBondContact CB-O 3.43Å; M469-P482 PolarHBondContact N-O 2.73Å; M469-P482 WeakPolarHBondContact O-CD 3.35Å; M471-P482 HydrophobicContact CE-CG 3.68Å
483	P	97.6	Very high	93.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-51.8	140.9	168	-26.5	36.7	0	0	0	112.9	R71 S73 V489 W544	R71-P483 HydrophobicContact CB-CG 4.46Å; R71-P483 WeakPolarHBondContact O-CG 3.27Å; S73-P483 VanDerWaalsContact CB-O 3.23Å; S73-P483 WeakPolarHBondContact CB-O 3.26Å; S73-P483 PolarHBondContact OG-O 3.11Å; P483-V489 HydrophobicContact CB-CG2 4.07Å; P483-V489 HydrophobicContact CG-CB 4.01Å; P483-V489 HydrophobicContact CG-CG2 3.91Å; P483-W544 HydrophobicContact CG-CH2 3.96Å
484	L	97.4	Very high	93.9	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-70.6	149.6	171.3	-75.7	179.4	0	0	0	110.5	A299 V303 C467 M469 C486 N487	A299-L484 HydrophobicContact CB-CB 4.04Å; A299-L484 HydrophobicContact CB-CD1 4.49Å; V303-L484 HydrophobicContact CG2-CD2 4.05Å; C467-L484 WeakPolarHBondContact O-CB 3.33Å; C467-L484 WeakPolarHBondContact O-CG 3.25Å; C467-L484 PolarHBondContact O-N 2.91Å; M469-L484 HydrophobicContact CB-CD2 3.86Å; L484-C486 PolarHBondContact O-N 3.43Å; L484-N487 PolarHBondContact O-N 3.43Å; L484-N487 VanDerWaalsContact O-O 3.05Å
485	P	96.9	Very high	93.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.2	-179.4	-29.7	35.8	0	0	0	116.6	L75 N76 M83 A299 K302 V303 N487	L75-P485 HydrophobicContact CB-CG 4.06Å; L75-P485 HydrophobicContact CD1-CG 4.46Å; N76-P485 PolarHBondContact ND2-O 3.32Å; N76-P485 WeakPolarHBondContact OD1-CA 3.49Å; M83-P485 HydrophobicContact CB-CB 4.11Å; M83-P485 WeakPolarHBondContact CB-O 3.35Å; M83-P485 PolarHBondContact N-O 3.46Å; M83-P485 HydrophobicContact SD-CB 4.33Å; A299-P485 HydrophobicContact CB-CB 4.47Å; K302-P485 HydrophobicContact CB-CG 4.38Å; K302-P485 HydrophobicContact CG-CG 4.09Å; V303-P485 HydrophobicContact CG2-CG 4.36Å; P485-N487 VanDerWaalsContact C-N 3.35Å
486	C	97.1	Very high	92.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.7	177.2	62	0	0	0	0	114.2	Y82 M83 S295 A299 L484 G512 S513	Y82-C486 WeakPolarHBondContact CB-O 3.34Å; M83-C486 VanDerWaalsContact O-CB 3.3Å; M83-C486 WeakPolarHBondContact O-CB 3.49Å; S295-C486 WeakPolarHBondContact O-CB 3.4Å; A299-C486 HydrophobicContact CB-CB 3.91Å; A299-C486 VanDerWaalsContact CB-SG 3.55Å; L484-C486 PolarHBondContact O-N 3.43Å; C486-G512 CarbonylContact O-C 3.19Å; C486-G512 VanDerWaalsContact O-CA 3.26Å; C486-G512 WeakPolarHBondContact O-CA 3.36Å; C486-S513 PolarHBondContact O-N 3.07Å
487	N	97.2	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	168.9	-180	64.2	61.9	0	0	0	114.5	C467 L484 P485 V510 K511 N514	C467-N487 WeakPolarHBondContact CA-ND2 3.37Å; C467-N487 PolarHBondContact O-ND2 2.85Å; C467-N487 VanDerWaalsContact O-ND2 3.09Å; C467-N487 PolarHBondContact O-OD1 3.32Å; L484-N487 PolarHBondContact O-N 3.43Å; L484-N487 VanDerWaalsContact O-O 3.05Å; P485-N487 VanDerWaalsContact C-N 3.35Å; N487-V510 HydrophobicContact CB-CG1 3.89Å; N487-K511 CarbonylContact C-O 3.58Å; N487-K511 VanDerWaalsContact CA-O 3.29Å; N487-K511 WeakPolarHBondContact CA-O 3.25Å; N487-K511 WeakPolarHBondContact CB-O 3.31Å; N487-N514 WeakPolarHBondContact CB-OD1 2.95Å; N487-N514 PolarHBondContact ND2-ND2 3.17Å
488	A	96.8	Very high	91.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	156.2	161	0	0	0	0	0	110.2	I64 R71 Y82 V510 K511 W535	I64-A488 HydrophobicContact CD1-CB 3.56Å; R71-A488 CarbonylContact O-C 3.35Å; R71-A488 VanDerWaalsContact O-CA 3.25Å; R71-A488 WeakPolarHBondContact O-CA 3.31Å; R71-A488 WeakPolarHBondContact O-CB 3.37Å; Y82-A488 HydrophobicContact CE1-CB 3.72Å; Y82-A488 WeakPolarHBondContact OH-CB 3.43Å; A488-V510 WeakPolarHBondContact O-CA 3.31Å; A488-K511 PolarHBondContact N-O 3.05Å; A488-K511 PolarHBondContact O-N 3.2Å; A488-W535 HydrophobicContact CB-CH2 4.03Å; A488-W535 HydrophobicContact CB-CZ3 4.44Å
489	V	97.5	Very high	91.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.6	177.2	179.6	0	0	0	0	109.6	A70 R71 T468 P483 V508 C509 V510 W544 L550	A70-V489 CarbonylContact C-O 3.59Å; A70-V489 WeakPolarHBondContact CA-O 3.37Å; R71-V489 PolarHBondContact N-O 3.44Å; R71-V489 PolarHBondContact O-N 3Å; T468-V489 HydrophobicContact CG2-CG2 4.19Å; P483-V489 HydrophobicContact CB-CG2 4.07Å; P483-V489 HydrophobicContact CG-CB 4.01Å; P483-V489 HydrophobicContact CG-CG2 3.91Å; V489-V508 HydrophobicContact CG1-CG1 3.65Å; V489-C509 CarbonylContact C-O 3.55Å; V489-C509 VanDerWaalsContact CA-O 3.3Å; V489-C509 WeakPolarHBondContact CA-O 3.42Å; V489-V510 HydrophobicContact CG2-CG2 4.4Å; V489-W544 HydrophobicContact CB-CH2 4.06Å; V489-W544 HydrophobicContact CB-CZ2 4.02Å; V489-W544 HydrophobicContact CG1-CH2 4.11Å; V489-W544 HydrophobicContact CG1-CZ2 3.85Å; V489-L550 HydrophobicContact CG1-CD2 4.34Å
490	K	96	Very high	91	Very high	20 Å²	20	28.5 Å²	28.5	9%	0.087	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.3	168	73.7	179.7	-178.8	-174.6	0	110.5	A70 V492 C509 W535	A70-K490 HydrophobicContact CB-CB 3.97Å; K490-V492 HydrophobicContact CD-CG2 4.25Å; K490-V492 HydrophobicContact CG-CG2 4.24Å; K490-C509 HydrophobicContact CG-CB 3.76Å; K490-C509 PolarHBondContact N-O 2.86Å; K490-C509 PolarHBondContact O-N 3.25Å; K490-W535 HydrophobicContact CB-CH2 4.09Å; K490-W535 HydrophobicContact CB-CZ3 4.08Å; K490-W535 HydrophobicContact CD-CD2 3.77Å; K490-W535 HydrophobicContact CD-CE3 4.01Å; K490-W535 HydrophobicContact CD-CG 4.36Å; K490-W535 HydrophobicContact CD-CH2 4.08Å; K490-W535 HydrophobicContact CD-CZ2 3.82Å; K490-W535 HydrophobicContact CD-CZ3 4.16Å; K490-W535 VanDerWaalsContact CE-CD2 3.44Å; K490-W535 HydrophobicContact CG-CD2 4.1Å; K490-W535 HydrophobicContact CG-CE3 3.8Å; K490-W535 HydrophobicContact CG-CH2 4.04Å; K490-W535 HydrophobicContact CG-CZ2 4.3Å; K490-W535 HydrophobicContact CG-CZ3 3.77Å
491	L	96.9	Very high	90.9	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.9	169	-59.5	-179.6	0	0	0	108.6	A501 G504 E507 V508 W544 L550	L491-A501 HydrophobicContact CB-CB 4.39Å; L491-A501 VanDerWaalsContact O-CB 3.23Å; L491-A501 WeakPolarHBondContact O-CB 3.21Å; L491-G504 VanDerWaalsContact CD1-C 3.42Å; L491-G504 WeakPolarHBondContact CD1-O 3.42Å; L491-E507 CarbonylContact C-O 3.52Å; L491-E507 WeakPolarHBondContact CA-O 3.26Å; L491-V508 HydrophobicContact CD2-CB 4.45Å; L491-V508 HydrophobicContact CD2-CG2 3.88Å; L491-W544 HydrophobicContact CD1-CG 4.02Å; L491-L550 HydrophobicContact CD2-CD1 4.14Å
492	V	95.3	Very high	90.6	Very high	43 Å²	43	31.4 Å²	31.4	26%	0.261	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.9	177.2	177.4	0	0	0	0	109.1	K490 V494 G506 E507 C509	K490-V492 HydrophobicContact CD-CG2 4.25Å; K490-V492 HydrophobicContact CG-CG2 4.24Å; V492-V494 PolarHBondContact O-N 2.97Å; V492-G506 CarbonylContact O-C 3.54Å; V492-G506 VanDerWaalsContact O-CA 3.23Å; V492-G506 WeakPolarHBondContact O-CA 3.24Å; V492-E507 PolarHBondContact N-O 3.33Å; V492-E507 PolarHBondContact O-N 3.32Å; V492-C509 HydrophobicContact CG2-CB 4.3Å; V492-C509 VanDerWaalsContact CG2-SG 3.54Å
493	D	92.9	Very high	90.3	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	21%	0.207	S	C	.	.			trans	-55.5	137.4	179.4	-67.7	-11	0	0	0	111.6	L500 A501	D493-L500 HydrophobicContact CB-CD2 4.45Å; D493-L500 WeakPolarHBondContact OD1-CA 3.38Å; D493-A501 VanDerWaalsContact OD1-CB 3.31Å; D493-A501 WeakPolarHBondContact OD1-CB 3.49Å; D493-A501 PolarHBondContact OD1-N 3.49Å
494	V	87.3	Confident	90	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-122.4	73.6	167.3	-170.6	0	0	0	0	105.9	V492 E496 M497 N498 Y499 E507 I541 K556	V492-V494 PolarHBondContact O-N 2.97Å; V494-E496 HydrophobicContact CG1-CG 3.95Å; V494-E496 WeakPolarHBondContact CG1-OE1 3.06Å; V494-E496 PolarHBondContact O-N 2.85Å; V494-M497 HydrophobicContact CB-CB 4.48Å; V494-M497 HydrophobicContact CG1-CB 3.92Å; V494-M497 HydrophobicContact CG1-CE 4.3Å; V494-M497 HydrophobicContact CG1-CG 4Å; V494-M497 HydrophobicContact CG1-SD 3.62Å; V494-M497 CarbonylContact O-C 3.52Å; V494-M497 WeakPolarHBondContact O-CA 3.33Å; V494-M497 PolarHBondContact O-N 3.19Å; V494-N498 PolarHBondContact O-N 3.33Å; V494-Y499 CarbonylContact C-O 3.55Å; V494-Y499 PolarHBondContact N-O 2.82Å; V494-Y499 PolarHBondContact O-N 3.06Å; V494-E507 HydrophobicContact CG2-CB 3.68Å; V494-I541 HydrophobicContact CB-CD1 4.45Å; V494-I541 HydrophobicContact CG2-CD1 3.77Å; V494-K556 HydrophobicContact CG1-CD 4.42Å; V494-K556 HydrophobicContact CG1-CG 4.46Å
495	A	81.1	Confident	89.8	Confident	63 Å²	63	38.7 Å²	38.7	52%	0.521	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.1	-35.8	-170.6	0	0	0	0	0	111.8	M497 N498	A495-M497 PolarHBondContact O-N 3.24Å; A495-M497 VanDerWaalsContact O-N 3.13Å; A495-N498 PolarHBondContact O-N 2.81Å; A495-N498 VanDerWaalsContact O-N 3.12Å
496	E	73.9	Confident	89.7	Confident	103 Å²	103	38.7 Å²	38.7	48%	0.481	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.4	-22.9	174.9	63.2	-89.3	-151.9	0	0	113.3	V494 K556 Y567	V494-E496 HydrophobicContact CG1-CG 3.95Å; V494-E496 WeakPolarHBondContact CG1-OE1 3.06Å; V494-E496 PolarHBondContact O-N 2.85Å; E496-K556 VanDerWaalsContact OE1-CE 3.32Å; E496-K556 WeakPolarHBondContact OE1-CE 3.5Å; E496-K556 IonicContact OE1-NZ 3.9Å; E496-Y567 VanDerWaalsContact O-CE2 3.29Å; E496-Y567 WeakPolarHBondContact O-CE2 3.35Å; E496-Y567 PolarHBondContact O-OH 2.85Å
497	M	69.8	Low	89.6	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.079	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-111.9	9.7	-179.7	-69.9	165.3	42.3	0	0	112.8	V494 A495 Y499 I541 K556 I559 Y567	V494-M497 HydrophobicContact CB-CB 4.48Å; V494-M497 HydrophobicContact CG1-CB 3.92Å; V494-M497 HydrophobicContact CG1-CE 4.3Å; V494-M497 HydrophobicContact CG1-CG 4Å; V494-M497 HydrophobicContact CG1-SD 3.62Å; V494-M497 CarbonylContact O-C 3.52Å; V494-M497 WeakPolarHBondContact O-CA 3.33Å; V494-M497 PolarHBondContact O-N 3.19Å; A495-M497 PolarHBondContact O-N 3.24Å; A495-M497 VanDerWaalsContact O-N 3.13Å; M497-Y499 HydrophobicContact CB-CD2 3.66Å; M497-Y499 HydrophobicContact CB-CE2 4.03Å; M497-Y499 HydrophobicContact CE-CD2 3.64Å; M497-Y499 HydrophobicContact CE-CE2 3.45Å; M497-Y499 VanDerWaalsContact CE-CE2 3.45Å; M497-Y499 PolarHBondContact O-N 2.98Å; M497-I541 HydrophobicContact CE-CD1 4Å; M497-I541 HydrophobicContact CE-CG1 3.8Å; M497-K556 HydrophobicContact SD-CG 4.27Å; M497-I559 HydrophobicContact CE-CD1 3.05Å; M497-I559 HydrophobicContact CE-CG1 4.45Å; M497-I559 HydrophobicContact SD-CD1 3.98Å; M497-Y567 HydrophobicContact CG-CD1 3.8Å; M497-Y567 HydrophobicContact CG-CE1 3.83Å; M497-Y567 HydrophobicContact CG-CG 4.4Å
498	N	78.8	Confident	89.6	Confident	130 Å²	130	39.3 Å²	39.3	70%	0.695	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	24.1	-175.6	-63	-47.6	0	0	0	114.8	V494 A495	V494-N498 PolarHBondContact O-N 3.33Å; A495-N498 PolarHBondContact O-N 2.81Å; A495-N498 VanDerWaalsContact O-N 3.12Å
499	Y	84.8	Confident	89.7	Confident	46 Å²	46	39.3 Å²	39.3	18%	0.18	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-93.3	118.4	169.3	-64.8	-64.1	0	0	0	109.3	V494 M497 E505 I541 I553 D554	V494-Y499 CarbonylContact C-O 3.55Å; V494-Y499 PolarHBondContact N-O 2.82Å; V494-Y499 PolarHBondContact O-N 3.06Å; M497-Y499 HydrophobicContact CB-CD2 3.66Å; M497-Y499 HydrophobicContact CB-CE2 4.03Å; M497-Y499 HydrophobicContact CE-CD2 3.64Å; M497-Y499 HydrophobicContact CE-CE2 3.45Å; M497-Y499 VanDerWaalsContact CE-CE2 3.45Å; M497-Y499 PolarHBondContact O-N 2.98Å; Y499-E505 HydrophobicContact CD1-CB 3.9Å; Y499-I541 HydrophobicContact CD1-CG2 4.14Å; Y499-I541 HydrophobicContact CD2-CG1 4.33Å; Y499-I541 HydrophobicContact CD2-CG2 3.75Å; Y499-I541 HydrophobicContact CE1-CG2 4.26Å; Y499-I541 HydrophobicContact CE2-CG1 4.29Å; Y499-I541 HydrophobicContact CE2-CG2 3.87Å; Y499-I541 HydrophobicContact CG-CG2 3.88Å; Y499-I553 HydrophobicContact CD1-CD1 4.17Å; Y499-I553 HydrophobicContact CE1-CD1 3.57Å; Y499-D554 PolarHBondContact OH-OD2 2.69Å
500	L	87.1	Confident	89.7	Confident	64 Å²	64	39.3 Å²	39.3	34%	0.335	22%	0.224	S	C	.	.			trans	-119.2	128.1	-178.5	-57.7	176.7	0	0	0	109.5	D493 A502 N503 E505	D493-L500 HydrophobicContact CB-CD2 4.45Å; D493-L500 WeakPolarHBondContact OD1-CA 3.38Å; L500-A502 HydrophobicContact CB-CB 3.93Å; L500-A502 PolarHBondContact O-N 3.32Å; L500-A502 VanDerWaalsContact O-N 3.1Å; L500-N503 WeakPolarHBondContact O-CA 3.49Å; L500-N503 WeakPolarHBondContact O-CB 3.23Å; L500-N503 PolarHBondContact O-N 2.88Å; L500-E505 CarbonylContact C-O 3.52Å; L500-E505 PolarHBondContact N-O 2.93Å; L500-E505 PolarHBondContact O-N 3.39Å
501	A	92.1	Very high	89.7	Confident	15 Å²	15	41.8 Å²	41.8	12%	0.124	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26.2	174	0	0	0	0	0	110.7	R69 L491 D493 N503 G504 E505	R69-A501 PolarHBondContact NH1-O 2.79Å; R69-A501 VanDerWaalsContact NH1-O 3.11Å; L491-A501 HydrophobicContact CB-CB 4.39Å; L491-A501 VanDerWaalsContact O-CB 3.23Å; L491-A501 WeakPolarHBondContact O-CB 3.21Å; D493-A501 VanDerWaalsContact OD1-CB 3.31Å; D493-A501 WeakPolarHBondContact OD1-CB 3.49Å; D493-A501 PolarHBondContact OD1-N 3.49Å; A501-N503 PolarHBondContact O-N 2.9Å; A501-G504 PolarHBondContact O-N 3.39Å; A501-E505 WeakPolarHBondContact CA-O 3.34Å; A501-E505 PolarHBondContact N-O 3.49Å
502	A	89.9	Confident	89.7	Confident	55 Å²	55	42.1 Å²	42.1	46%	0.455	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-41.2	-45.4	163.8	0	0	0	0	0	113.5	R69 L500	R69-A502 PolarHBondContact NH1-O 2.76Å; R69-A502 VanDerWaalsContact NH1-O 3.13Å; L500-A502 HydrophobicContact CB-CB 3.93Å; L500-A502 PolarHBondContact O-N 3.32Å; L500-A502 VanDerWaalsContact O-N 3.1Å
503	N	89.3	Confident	89.7	Confident	109 Å²	109	41.7 Å²	41.7	58%	0.583	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-96.3	7.2	-175.6	-59.7	-23.4	0	0	0	112.7	L500 A501 E505	L500-N503 WeakPolarHBondContact O-CA 3.49Å; L500-N503 WeakPolarHBondContact O-CB 3.23Å; L500-N503 PolarHBondContact O-N 2.88Å; A501-N503 PolarHBondContact O-N 2.9Å; N503-E505 VanDerWaalsContact C-N 3.32Å
504	G	92.3	Very high	89.9	Confident	16 Å²	16	37.7 Å²	37.7	17%	0.165	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	26.5	-174.3	0	0	0	0	0	113.4	L491 A501 K543 W544	L491-G504 VanDerWaalsContact CD1-C 3.42Å; L491-G504 WeakPolarHBondContact CD1-O 3.42Å; A501-G504 PolarHBondContact O-N 3.39Å; G504-K543 CarbonylContact O-C 3.07Å; G504-K543 VanDerWaalsContact O-CA 3.24Å; G504-K543 WeakPolarHBondContact O-CA 3.32Å; G504-W544 PolarHBondContact O-N 3.31Å
505	E	93.1	Very high	90.4	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144	178.1	-65.8	176	173.3	0	0	110.2	Y499 L500 A501 N503 G542 K543	Y499-E505 HydrophobicContact CD1-CB 3.9Å; L500-E505 CarbonylContact C-O 3.52Å; L500-E505 PolarHBondContact N-O 2.93Å; L500-E505 PolarHBondContact O-N 3.39Å; A501-E505 WeakPolarHBondContact CA-O 3.34Å; A501-E505 PolarHBondContact N-O 3.49Å; N503-E505 VanDerWaalsContact C-N 3.32Å; E505-G542 WeakPolarHBondContact CA-O 3.28Å; E505-K543 HydrophobicContact CG-CB 4.05Å; E505-K543 HydrophobicContact CG-CD 3.95Å; E505-K543 HydrophobicContact CG-CG 3.8Å; E505-K543 VanDerWaalsContact OE1-CD 3.31Å; E505-K543 WeakPolarHBondContact OE1-CD 3.32Å; E505-K543 VanDerWaalsContact OE1-CE 3.27Å; E505-K543 WeakPolarHBondContact OE1-CE 3.36Å; E505-K543 IonicContact OE1-NZ 3.66Å; E505-K543 PolarHBondContact OE1-NZ 3.33Å
506	G	94.4	Very high	91.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-176.5	179.2	0	0	0	0	0	113.7	V492 V508 I541 G542	V492-G506 CarbonylContact O-C 3.54Å; V492-G506 VanDerWaalsContact O-CA 3.23Å; V492-G506 WeakPolarHBondContact O-CA 3.24Å; G506-V508 PolarHBondContact O-N 2.85Å; G506-I541 CarbonylContact O-C 3.52Å; G506-I541 WeakPolarHBondContact O-CA 3.35Å; G506-I541 WeakPolarHBondContact O-CG2 3.49Å; G506-G542 PolarHBondContact N-O 2.89Å; G506-G542 PolarHBondContact O-N 3.37Å
507	E	95.7	Very high	92.4	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.7	172	176.1	170.8	-144.3	0	0	109.8	L491 V492 V494 C509 H537 G539 D540 I541 K556	L491-E507 CarbonylContact C-O 3.52Å; L491-E507 WeakPolarHBondContact CA-O 3.26Å; V492-E507 PolarHBondContact N-O 3.33Å; V492-E507 PolarHBondContact O-N 3.32Å; V494-E507 HydrophobicContact CG2-CB 3.68Å; E507-C509 PolarHBondContact O-N 2.79Å; E507-H537 IonicContact OE1-ND1 3.54Å; E507-H537 IonicContact OE2-CE1 3.99Å; E507-H537 IonicContact OE2-CG 2.63Å; E507-H537 IonicContact OE2-ND1 2.79Å; E507-H537 PolarHBondContact OE2-ND1 2.83Å; E507-G539 VanDerWaalsContact OE1-CA 3.29Å; E507-G539 WeakPolarHBondContact OE1-CA 3.34Å; E507-G539 PolarHBondContact OE1-N 3.4Å; E507-D540 WeakPolarHBondContact CA-O 3.49Å; E507-I541 HydrophobicContact CB-CD1 4.39Å; E507-K556 IonicContact OE2-NZ 3.82Å
508	V	97.4	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.4	175.1	-176.1	0	0	0	0	108.6	Y458 V489 L491 G506 V510 T538 D540 L550 I552	Y458-V508 HydrophobicContact CE1-CG1 4.12Å; V489-V508 HydrophobicContact CG1-CG1 3.65Å; L491-V508 HydrophobicContact CD2-CB 4.45Å; L491-V508 HydrophobicContact CD2-CG2 3.88Å; G506-V508 PolarHBondContact O-N 2.85Å; V508-V510 HydrophobicContact CG1-CG2 4.38Å; V508-T538 HydrophobicContact CB-CG2 4.37Å; V508-T538 HydrophobicContact CG1-CG2 4.29Å; V508-T538 WeakPolarHBondContact O-CB 3.34Å; V508-T538 VanDerWaalsContact O-CG2 3.26Å; V508-T538 WeakPolarHBondContact O-CG2 3.33Å; V508-T538 PolarHBondContact O-N 3.22Å; V508-T538 VanDerWaalsContact O-N 3.11Å; V508-T538 PolarHBondContact O-OG1 3.23Å; V508-D540 PolarHBondContact N-O 3.13Å; V508-L550 HydrophobicContact CG1-CD2 4.04Å; V508-L550 HydrophobicContact CG2-CD1 4.47Å; V508-L550 HydrophobicContact CG2-CD2 4.12Å; V508-I552 HydrophobicContact CG2-CD1 4.15Å
509	C	97.6	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.1	175.3	-67.2	0	0	0	0	109.8	V489 K490 V492 E507 W535 L536 H537	V489-C509 CarbonylContact C-O 3.55Å; V489-C509 VanDerWaalsContact CA-O 3.3Å; V489-C509 WeakPolarHBondContact CA-O 3.42Å; K490-C509 HydrophobicContact CG-CB 3.76Å; K490-C509 PolarHBondContact N-O 2.86Å; K490-C509 PolarHBondContact O-N 3.25Å; V492-C509 HydrophobicContact CG2-CB 4.3Å; V492-C509 VanDerWaalsContact CG2-SG 3.54Å; E507-C509 PolarHBondContact O-N 2.79Å; C509-W535 HydrophobicContact CB-CB 4.28Å; C509-W535 HydrophobicContact CB-CE3 4.01Å; C509-W535 WeakPolarHBondContact O-CZ3 3.39Å; C509-L536 CarbonylContact C-O 3.3Å; C509-L536 VanDerWaalsContact CA-O 3.23Å; C509-L536 WeakPolarHBondContact CA-O 3.4Å; C509-H537 PolarHBondContact SG-ND1 3.03Å
510	V	97.8	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.2	-173.6	-174	0	0	0	0	110.6	C463 C467 N487 A488 V489 V508 V515 L536 T538	C463-V510 HydrophobicContact CB-CG1 4.48Å; C467-V510 HydrophobicContact CB-CG1 4.07Å; C467-V510 HydrophobicContact CB-CG2 4.13Å; N487-V510 HydrophobicContact CB-CG1 3.89Å; A488-V510 WeakPolarHBondContact O-CA 3.31Å; V489-V510 HydrophobicContact CG2-CG2 4.4Å; V508-V510 HydrophobicContact CG1-CG2 4.38Å; V510-V515 HydrophobicContact CG1-CG2 4.26Å; V510-L536 PolarHBondContact N-O 3.32Å; V510-L536 WeakPolarHBondContact O-CB 3.02Å; V510-L536 PolarHBondContact O-N 2.9Å; V510-T538 HydrophobicContact CG2-CG2 3.88Å
511	K	96.5	Very high	95.5	Very high	71 Å²	71	30.1 Å²	30.1	31%	0.309	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128	173.1	179.9	170.9	179.4	173.9	0	109.3	Y82 N487 A488 D533 W535	Y82-K511 HydrophobicContact CE2-CG 4.23Å; N487-K511 CarbonylContact C-O 3.58Å; N487-K511 VanDerWaalsContact CA-O 3.29Å; N487-K511 WeakPolarHBondContact CA-O 3.25Å; N487-K511 WeakPolarHBondContact CB-O 3.31Å; A488-K511 PolarHBondContact N-O 3.05Å; A488-K511 PolarHBondContact O-N 3.2Å; K511-D533 WeakPolarHBondContact CE-O 3.41Å; K511-D533 PolarHBondContact NZ-O 2.95Å; K511-W535 HydrophobicContact CB-CD2 3.66Å; K511-W535 HydrophobicContact CB-CE3 3.46Å; K511-W535 VanDerWaalsContact CB-CE3 3.46Å; K511-W535 HydrophobicContact CB-CG 4.33Å; K511-W535 HydrophobicContact CB-CH2 3.94Å; K511-W535 HydrophobicContact CB-CZ2 4.15Å; K511-W535 HydrophobicContact CB-CZ3 3.6Å; K511-W535 HydrophobicContact CD-CD2 4.19Å; K511-W535 HydrophobicContact CD-CG 4.49Å; K511-W535 HydrophobicContact CD-CZ2 4.15Å
512	G	96.1	Very high	95.6	Very high	17 Å²	17	30.5 Å²	30.5	18%	0.175	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	173.3	-174.9	0	0	0	0	0	114.5	C486 N514 V515	C486-G512 CarbonylContact O-C 3.19Å; C486-G512 VanDerWaalsContact O-CA 3.26Å; C486-G512 WeakPolarHBondContact O-CA 3.36Å; G512-N514 PolarHBondContact O-N 3.33Å; G512-V515 PolarHBondContact O-N 3.48Å; G512-V515 VanDerWaalsContact O-N 3.15Å
513	S	96.6	Very high	95.9	Very high	34 Å²	34	32.6 Å²	32.6	24%	0.238	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.2	177.6	-58.6	0	0	0	0	113	Y82 N292 S295 C486	Y82-S513 WeakPolarHBondContact CB-OG 3.4Å; Y82-S513 PolarHBondContact O-OG 3.17Å; N292-S513 WeakPolarHBondContact CA-O 3.45Å; N292-S513 PolarHBondContact ND2-O 3.25Å; S295-S513 VanDerWaalsContact OG-C 3.27Å; S295-S513 PolarHBondContact OG-O 3.15Å; C486-S513 PolarHBondContact O-N 3.07Å
514	N	97.3	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.4	177.8	67.8	-37.4	0	0	0	114.1	S295 C463 T464 G466 N487 G512	S295-N514 WeakPolarHBondContact OG-CA 3.15Å; S295-N514 PolarHBondContact OG-N 3.38Å; C463-N514 CarbonylContact C-O 3.21Å; C463-N514 WeakPolarHBondContact CA-O 3.35Å; C463-N514 PolarHBondContact O-ND2 3.33Å; T464-N514 WeakPolarHBondContact CB-O 3.26Å; T464-N514 PolarHBondContact N-O 2.84Å; T464-N514 PolarHBondContact OG1-O 2.91Å; G466-N514 PolarHBondContact O-ND2 3.36Å; N487-N514 WeakPolarHBondContact CB-OD1 2.95Å; N487-N514 PolarHBondContact ND2-ND2 3.17Å; G512-N514 PolarHBondContact O-N 3.33Å
515	V	97.9	Very high	96	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.103	19%	0.187	C	C	.	.	S	Bend	trans	-75.2	132.3	179	177.4	0	0	0	0	109.8	N292 V510 G512 I530 L536	N292-V515 PolarHBondContact ND2-O 2.85Å; V510-V515 HydrophobicContact CG1-CG2 4.26Å; G512-V515 PolarHBondContact O-N 3.48Å; G512-V515 VanDerWaalsContact O-N 3.15Å; V515-I530 HydrophobicContact CG1-CD1 4.45Å; V515-L536 HydrophobicContact CG1-CB 3.98Å; V515-L536 HydrophobicContact CG1-CD2 4.39Å; V515-L536 HydrophobicContact CG2-CB 4.39Å
516	F	98.1	Very high	96.1	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.022	19%	0.186	C	C	.	.			trans	-59.4	165	179.5	77.9	-27.8	0	0	0	113.5	A286 M287 L288 E462 G518 Y519 A529 I530 L536	A286-F516 HydrophobicContact CB-CD2 3.76Å; A286-F516 HydrophobicContact CB-CE2 4.3Å; M287-F516 WeakPolarHBondContact O-CB 3.34Å; L288-F516 HydrophobicContact CD2-CB 3.6Å; L288-F516 HydrophobicContact CG-CB 4.39Å; E462-F516 HydrophobicContact CB-CD1 4.09Å; E462-F516 HydrophobicContact CB-CD2 4.14Å; E462-F516 HydrophobicContact CB-CE1 4.07Å; E462-F516 HydrophobicContact CB-CE2 4.13Å; E462-F516 HydrophobicContact CB-CG 4.14Å; E462-F516 HydrophobicContact CB-CZ 4.09Å; E462-F516 HydrophobicContact CG-CD2 3.89Å; E462-F516 HydrophobicContact CG-CE1 4.21Å; E462-F516 HydrophobicContact CG-CE2 3.53Å; E462-F516 HydrophobicContact CG-CG 4.39Å; E462-F516 HydrophobicContact CG-CZ 3.71Å; E462-F516 WeakPolarHBondContact O-CB 2.9Å; E462-F516 WeakPolarHBondContact O-CD1 3.36Å; E462-F516 PolarHBondContact O-N 3.41Å; F516-G518 VanDerWaalsContact C-N 3.27Å; F516-G518 WeakPolarHBondContact CD2-O 3.33Å; F516-G518 VanDerWaalsContact CE2-C 3.45Å; F516-G518 PolarHBondContact O-N 2.8Å; F516-Y519 AromaticContact CE2-CD1 3.73Å; F516-Y519 HydrophobicContact CE2-CD1 3.73Å; F516-Y519 HydrophobicContact CE2-CD2 4.19Å; F516-Y519 AromaticContact CE2-CE1 3.57Å; F516-Y519 HydrophobicContact CE2-CE1 3.57Å; F516-Y519 HydrophobicContact CE2-CE2 4.05Å; F516-Y519 HydrophobicContact CE2-CG 4.05Å; F516-Y519 AromaticContact CE2-CZ 3.73Å; F516-Y519 HydrophobicContact CZ-CD2 4.28Å; F516-Y519 HydrophobicContact CZ-CE1 4.24Å; F516-Y519 AromaticContact CZ-CE2 3.95Å; F516-Y519 HydrophobicContact CZ-CE2 3.95Å; F516-Y519 AromaticContact CZ-CZ 3.92Å; F516-A529 HydrophobicContact CZ-CB 4.23Å; F516-I530 HydrophobicContact CD1-CD1 3.87Å; F516-I530 HydrophobicContact CD1-CG1 4.38Å; F516-I530 HydrophobicContact CE1-CD1 3.45Å; F516-I530 VanDerWaalsContact CE1-CD1 3.45Å; F516-I530 HydrophobicContact CE1-CG1 3.57Å; F516-I530 HydrophobicContact CZ-CD1 4.35Å; F516-I530 HydrophobicContact CZ-CG1 4.36Å; F516-L536 HydrophobicContact CE1-CD1 3.78Å; F516-L536 HydrophobicContact CZ-CD1 4.36Å
517	K	97.6	Very high	96.1	Very high	114 Å²	114	40.6 Å²	40.6	50%	0.496	22%	0.215	S	C	.	.			trans	-75.6	-14.3	176	-80.8	-171.7	166.5	172.7	0	114.2	N268 L270 M287 T289	N268-K517 PolarHBondContact O-NZ 3.39Å; L270-K517 HydrophobicContact CD2-CD 4.05Å; M287-K517 HydrophobicContact CB-CB 4.26Å; M287-K517 PolarHBondContact O-N 3.4Å; T289-K517 HydrophobicContact CG2-CD 3.67Å; T289-K517 HydrophobicContact CG2-CG 3.99Å
518	G	97.1	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.			trans	125	-171.3	-171.2	0	0	0	0	0	112.7	M287 F516	M287-G518 WeakPolarHBondContact CB-O 3.44Å; M287-G518 PolarHBondContact N-O 3.12Å; F516-G518 VanDerWaalsContact C-N 3.27Å; F516-G518 WeakPolarHBondContact CD2-O 3.33Å; F516-G518 VanDerWaalsContact CE2-C 3.45Å; F516-G518 PolarHBondContact O-N 2.8Å
519	Y	97	Very high	95.8	Very high	12 Å²	12	47.2 Å²	47.2	5%	0.047	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-96.2	138.6	-178.8	-63.4	-64.8	0	0	0	112.3	K284 G285 A286 E462 F516 K521 D522 R525 T526 A529	K284-Y519 HydrophobicContact CB-CD1 3.55Å; K284-Y519 HydrophobicContact CB-CE1 3.72Å; K284-Y519 HydrophobicContact CB-CG 4.19Å; K284-Y519 HydrophobicContact CD-CD1 4.41Å; K284-Y519 HydrophobicContact CD-CE1 4.15Å; K284-Y519 HydrophobicContact CD-CE2 4.24Å; K284-Y519 VanDerWaalsContact NZ-CZ 3.33Å; K284-Y519 PolarHBondContact NZ-OH 3.07Å; G285-Y519 CarbonylContact O-C 3.49Å; G285-Y519 WeakPolarHBondContact O-CA 3.41Å; A286-Y519 HydrophobicContact CB-CE1 4.46Å; E462-Y519 HydrophobicContact CG-CE1 4.05Å; E462-Y519 WeakPolarHBondContact CG-OH 3.44Å; E462-Y519 WeakPolarHBondContact OE1-CE1 3.39Å; E462-Y519 PolarHBondContact OE1-OH 3.14Å; F516-Y519 AromaticContact CE2-CD1 3.73Å; F516-Y519 HydrophobicContact CE2-CD1 3.73Å; F516-Y519 HydrophobicContact CE2-CD2 4.19Å; F516-Y519 AromaticContact CE2-CE1 3.57Å; F516-Y519 HydrophobicContact CE2-CE1 3.57Å; F516-Y519 HydrophobicContact CE2-CE2 4.05Å; F516-Y519 HydrophobicContact CE2-CG 4.05Å; F516-Y519 AromaticContact CE2-CZ 3.73Å; F516-Y519 HydrophobicContact CZ-CD2 4.28Å; F516-Y519 HydrophobicContact CZ-CE1 4.24Å; F516-Y519 AromaticContact CZ-CE2 3.95Å; F516-Y519 HydrophobicContact CZ-CE2 3.95Å; F516-Y519 AromaticContact CZ-CZ 3.92Å; Y519-K521 PolarHBondContact O-N 2.89Å; Y519-D522 PolarHBondContact O-N 2.99Å; Y519-R525 HydrophobicContact CD2-CB 3.94Å; Y519-R525 HydrophobicContact CE2-CB 4.32Å; Y519-T526 PolarHBondContact N-OG1 3.37Å; Y519-A529 HydrophobicContact CE2-CB 3.86Å
520	L	96.6	Very high	95.7	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	120.2	-178	-175.7	71.1	0	0	0	111.5	R193 A194 I273 F275 G285 M287 D522	R193-L520 PolarHBondContact NE-O 2.67Å; A194-L520 HydrophobicContact CB-CD2 3.87Å; I273-L520 HydrophobicContact CD1-CD1 3.95Å; I273-L520 HydrophobicContact CD1-CD2 3.99Å; I273-L520 HydrophobicContact CD1-CG 4.44Å; I273-L520 HydrophobicContact CG2-CB 4.35Å; I273-L520 HydrophobicContact CG2-CD2 4.33Å; F275-L520 HydrophobicContact CZ-CD2 4.25Å; G285-L520 PolarHBondContact O-N 3Å; M287-L520 HydrophobicContact CG-CB 4.13Å; M287-L520 HydrophobicContact CG-CD1 4.37Å; M287-L520 HydrophobicContact SD-CB 4.32Å; M287-L520 HydrophobicContact SD-CD1 3.83Å; L520-D522 PolarHBondContact O-N 3.27Å
521	K	95.1	Very high	95.6	Very high	108 Å²	108	50.7 Å²	50.7	47%	0.47	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	25.8	179.2	-61.1	174	-175.6	168.8	0	113.4	R193 T195 Y519	R193-K521 VanDerWaalsContact NH2-C 3.32Å; R193-K521 PolarHBondContact NH2-O 3.11Å; R193-K521 WeakPolarHBondContact O-CD 3.36Å; R193-K521 WeakPolarHBondContact O-CE 3.37Å; R193-K521 PolarHBondContact O-NZ 3.01Å; T195-K521 VanDerWaalsContact CG2-NZ 3.35Å; T195-K521 PolarHBondContact OG1-NZ 3.08Å; Y519-K521 PolarHBondContact O-N 2.89Å
522	D	94.6	Very high	95.5	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.123	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-135.5	74.4	-175.3	-165.4	-19.5	0	0	0	111.2	Y519 L520 E524 R525 T526	Y519-D522 PolarHBondContact O-N 2.99Å; L520-D522 PolarHBondContact O-N 3.27Å; D522-E524 VanDerWaalsContact C-N 3.33Å; D522-E524 PolarHBondContact O-N 2.97Å; D522-R525 WeakPolarHBondContact OD1-CB 3.42Å; D522-R525 WeakPolarHBondContact OD1-CG 3.21Å; D522-R525 PolarHBondContact OD1-N 2.8Å; D522-R525 VanDerWaalsContact OD1-N 3.14Å; D522-R525 VanDerWaalsContact OD2-CD 3.27Å; D522-R525 WeakPolarHBondContact OD2-CD 3.24Å; D522-R525 IonicContact OD2-NE 2.69Å; D522-T526 WeakPolarHBondContact O-CB 3.35Å; D522-T526 PolarHBondContact O-N 3.45Å; D522-T526 PolarHBondContact O-OG1 3.23Å
523	P	95.4	Very high	95.4	Very high	99 Å²	99	60 Å²	60	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-67.8	-31.7	-176.9	27.2	-34	0	0	0	112.8	T526 A527	P523-T526 WeakPolarHBondContact O-CB 3.37Å; P523-T526 PolarHBondContact O-N 3.28Å; P523-A527 PolarHBondContact O-N 3.32Å
524	E	93.5	Very high	95.3	Very high	153 Å²	153	59.8 Å²	59.8	72%	0.715	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-56.2	-180	-66.9	178.3	-180	0	0	110.9	D522 T526 A527 E528	D522-E524 VanDerWaalsContact C-N 3.33Å; D522-E524 PolarHBondContact O-N 2.97Å; E524-T526 PolarHBondContact O-N 3.04Å; E524-A527 PolarHBondContact O-N 3.05Å; E524-A527 VanDerWaalsContact O-N 3.1Å; E524-E528 PolarHBondContact O-N 3.01Å
525	R	90.6	Very high	95.2	Very high	80 Å²	80	60.4 Å²	60.4	30%	0.302	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-21.7	177.6	-64.2	-169.7	-179.7	165.9	-7	112.9	Y519 D522 A529	Y519-R525 HydrophobicContact CD2-CB 3.94Å; Y519-R525 HydrophobicContact CE2-CB 4.32Å; D522-R525 WeakPolarHBondContact OD1-CB 3.42Å; D522-R525 WeakPolarHBondContact OD1-CG 3.21Å; D522-R525 PolarHBondContact OD1-N 2.8Å; D522-R525 VanDerWaalsContact OD1-N 3.14Å; D522-R525 VanDerWaalsContact OD2-CD 3.27Å; D522-R525 WeakPolarHBondContact OD2-CD 3.24Å; D522-R525 IonicContact OD2-NE 2.69Å; R525-A529 VanDerWaalsContact O-CB 3.31Å; R525-A529 WeakPolarHBondContact O-CB 3.33Å; R525-A529 PolarHBondContact O-N 2.86Å; R525-A529 VanDerWaalsContact O-N 3.1Å
526	T	95.3	Very high	95.2	Very high	27 Å²	27	59.6 Å²	59.6	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-46.5	172.1	-61.8	0	0	0	0	110.5	Y519 D522 P523 E524 E528 A529 I530	Y519-T526 PolarHBondContact N-OG1 3.37Å; D522-T526 WeakPolarHBondContact O-CB 3.35Å; D522-T526 PolarHBondContact O-N 3.45Å; D522-T526 PolarHBondContact O-OG1 3.23Å; P523-T526 WeakPolarHBondContact O-CB 3.37Å; P523-T526 PolarHBondContact O-N 3.28Å; E524-T526 PolarHBondContact O-N 3.04Å; T526-E528 VanDerWaalsContact C-N 3.3Å; T526-E528 PolarHBondContact O-N 2.52Å; T526-A529 PolarHBondContact O-N 2.92Å; T526-A529 VanDerWaalsContact O-N 3.17Å; T526-I530 PolarHBondContact O-N 3.39Å
527	A	95.1	Very high	95.1	Very high	72 Å²	72	61.8 Å²	61.8	60%	0.595	32%	0.316	S	S	*	.	H	α-helix	trans	-68.5	-27.7	176.6	0	0	0	0	0	113	P523 E524	P523-A527 PolarHBondContact O-N 3.32Å; E524-A527 PolarHBondContact O-N 3.05Å; E524-A527 VanDerWaalsContact O-N 3.1Å
528	E	91.8	Very high	95	Very high	140 Å²	140	57.1 Å²	57.1	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-69.4	-35.1	169.7	-70.2	177.2	-179.8	0	0	112.7	E524 T526	E524-E528 PolarHBondContact O-N 3.01Å; T526-E528 VanDerWaalsContact C-N 3.3Å; T526-E528 PolarHBondContact O-N 2.52Å
529	A	93.9	Very high	94.7	Very high	11 Å²	11	57.9 Å²	57.9	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-86.1	-37.3	-175.9	0	0	0	0	0	112.9	F516 Y519 R525 T526 L536 H537	F516-A529 HydrophobicContact CZ-CB 4.23Å; Y519-A529 HydrophobicContact CE2-CB 3.86Å; R525-A529 VanDerWaalsContact O-CB 3.31Å; R525-A529 WeakPolarHBondContact O-CB 3.33Å; R525-A529 PolarHBondContact O-N 2.86Å; R525-A529 VanDerWaalsContact O-N 3.1Å; T526-A529 PolarHBondContact O-N 2.92Å; T526-A529 VanDerWaalsContact O-N 3.17Å; A529-L536 HydrophobicContact CB-CD1 4.24Å; A529-L536 CarbonylContact O-C 3.47Å; A529-L536 VanDerWaalsContact O-CA 3.3Å; A529-L536 WeakPolarHBondContact O-CA 3.35Å; A529-H537 PolarHBondContact O-N 2.87Å
530	I	97	Very high	94.4	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.179	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-114.2	116.8	179.6	-49.3	179.3	0	0	0	108.7	V515 F516 T526 W535	V515-I530 HydrophobicContact CG1-CD1 4.45Å; F516-I530 HydrophobicContact CD1-CD1 3.87Å; F516-I530 HydrophobicContact CD1-CG1 4.38Å; F516-I530 HydrophobicContact CE1-CD1 3.45Å; F516-I530 VanDerWaalsContact CE1-CD1 3.45Å; F516-I530 HydrophobicContact CE1-CG1 3.57Å; F516-I530 HydrophobicContact CZ-CD1 4.35Å; F516-I530 HydrophobicContact CZ-CG1 4.36Å; T526-I530 PolarHBondContact O-N 3.39Å; I530-W535 WeakPolarHBondContact CA-O 3.46Å
531	D	95.6	Very high	94.1	Very high	38 Å²	38	57.2 Å²	57.2	20%	0.203	30%	0.303	C	S	.	.			trans	-70.5	170.3	176.5	77.1	11.7	0	0	0	112.4	D533 G534 W535 H537	D531-D533 PolarHBondContact O-N 2.92Å; D531-D533 VanDerWaalsContact O-N 3.09Å; D531-D533 VanDerWaalsContact OD1-C 3.27Å; D531-D533 VanDerWaalsContact OD1-CA 3.32Å; D531-D533 WeakPolarHBondContact OD1-CA 3.23Å; D531-D533 WeakPolarHBondContact OD1-CB 3.46Å; D531-D533 PolarHBondContact OD1-N 3.47Å; D531-G534 PolarHBondContact O-N 3.49Å; D531-G534 PolarHBondContact OD1-N 2.94Å; D531-W535 PolarHBondContact N-O 3.39Å; D531-W535 PolarHBondContact OD1-N 3.3Å; D531-W535 WeakPolarHBondContact OD2-CB 3.43Å; D531-H537 IonicContact OD2-NE2 2.8Å
532	K	94.8	Very high	94	Very high	196 Å²	196	52.1 Å²	52.1	85%	0.852	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.2	178.4	65.3	179.4	-177	175.6	0	114
533	D	92.8	Very high	94	Very high	87 Å²	87	54.5 Å²	54.5	47%	0.465	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.5	-178.1	-60.9	-49.2	0	0	0	111.3	K511 D531	K511-D533 WeakPolarHBondContact CE-O 3.41Å; K511-D533 PolarHBondContact NZ-O 2.95Å; D531-D533 PolarHBondContact O-N 2.92Å; D531-D533 VanDerWaalsContact O-N 3.09Å; D531-D533 VanDerWaalsContact OD1-C 3.27Å; D531-D533 VanDerWaalsContact OD1-CA 3.32Å; D531-D533 WeakPolarHBondContact OD1-CA 3.23Å; D531-D533 WeakPolarHBondContact OD1-CB 3.46Å; D531-D533 PolarHBondContact OD1-N 3.47Å
534	G	93.6	Very high	94.1	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	82.9	19	176.6	0	0	0	0	0	114.4	D531	D531-G534 PolarHBondContact O-N 3.49Å; D531-G534 PolarHBondContact OD1-N 2.94Å
535	W	96.4	Very high	94.2	Very high	13 Å²	13	46.7 Å²	46.7	5%	0.049	25%	0.245	C	C	.	.			trans	-88.1	125.8	173.8	-65.4	91.8	0	0	0	111.2	A70 A488 K490 C509 K511 I530 D531	A70-W535 HydrophobicContact CB-CH2 3.66Å; A70-W535 HydrophobicContact CB-CZ2 4.01Å; A488-W535 HydrophobicContact CB-CH2 4.03Å; A488-W535 HydrophobicContact CB-CZ3 4.44Å; K490-W535 HydrophobicContact CB-CH2 4.09Å; K490-W535 HydrophobicContact CB-CZ3 4.08Å; K490-W535 HydrophobicContact CD-CD2 3.77Å; K490-W535 HydrophobicContact CD-CE3 4.01Å; K490-W535 HydrophobicContact CD-CG 4.36Å; K490-W535 HydrophobicContact CD-CH2 4.08Å; K490-W535 HydrophobicContact CD-CZ2 3.82Å; K490-W535 HydrophobicContact CD-CZ3 4.16Å; K490-W535 VanDerWaalsContact CE-CD2 3.44Å; K490-W535 HydrophobicContact CG-CD2 4.1Å; K490-W535 HydrophobicContact CG-CE3 3.8Å; K490-W535 HydrophobicContact CG-CH2 4.04Å; K490-W535 HydrophobicContact CG-CZ2 4.3Å; K490-W535 HydrophobicContact CG-CZ3 3.77Å; C509-W535 HydrophobicContact CB-CB 4.28Å; C509-W535 HydrophobicContact CB-CE3 4.01Å; C509-W535 WeakPolarHBondContact O-CZ3 3.39Å; K511-W535 HydrophobicContact CB-CD2 3.66Å; K511-W535 HydrophobicContact CB-CE3 3.46Å; K511-W535 VanDerWaalsContact CB-CE3 3.46Å; K511-W535 HydrophobicContact CB-CG 4.33Å; K511-W535 HydrophobicContact CB-CH2 3.94Å; K511-W535 HydrophobicContact CB-CZ2 4.15Å; K511-W535 HydrophobicContact CB-CZ3 3.6Å; K511-W535 HydrophobicContact CD-CD2 4.19Å; K511-W535 HydrophobicContact CD-CG 4.49Å; K511-W535 HydrophobicContact CD-CZ2 4.15Å; I530-W535 WeakPolarHBondContact CA-O 3.46Å; D531-W535 PolarHBondContact N-O 3.39Å; D531-W535 PolarHBondContact OD1-N 3.3Å; D531-W535 WeakPolarHBondContact OD2-CB 3.43Å
536	L	97.6	Very high	94.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.9	169	172.3	66.8	0	0	0	109.9	E462 C463 C509 V510 V515 F516 A529	E462-L536 HydrophobicContact CB-CD1 3.93Å; E462-L536 HydrophobicContact CB-CD2 3.69Å; E462-L536 HydrophobicContact CB-CG 4.45Å; C463-L536 HydrophobicContact CB-CD2 3.92Å; C509-L536 CarbonylContact C-O 3.3Å; C509-L536 VanDerWaalsContact CA-O 3.23Å; C509-L536 WeakPolarHBondContact CA-O 3.4Å; V510-L536 PolarHBondContact N-O 3.32Å; V510-L536 WeakPolarHBondContact O-CB 3.02Å; V510-L536 PolarHBondContact O-N 2.9Å; V515-L536 HydrophobicContact CG1-CB 3.98Å; V515-L536 HydrophobicContact CG1-CD2 4.39Å; V515-L536 HydrophobicContact CG2-CB 4.39Å; F516-L536 HydrophobicContact CE1-CD1 3.78Å; F516-L536 HydrophobicContact CZ-CD1 4.36Å; A529-L536 HydrophobicContact CB-CD1 4.24Å; A529-L536 CarbonylContact O-C 3.47Å; A529-L536 VanDerWaalsContact O-CA 3.3Å; A529-L536 WeakPolarHBondContact O-CA 3.35Å
537	H	96.4	Very high	94.3	Very high	50 Å²	50	49.8 Å²	49.8	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.2	169.6	-73.4	-98.9	0	0	0	109.9	E507 C509 A529 D531	E507-H537 IonicContact OE1-ND1 3.54Å; E507-H537 IonicContact OE2-CE1 3.99Å; E507-H537 IonicContact OE2-CG 2.63Å; E507-H537 IonicContact OE2-ND1 2.79Å; E507-H537 PolarHBondContact OE2-ND1 2.83Å; C509-H537 PolarHBondContact SG-ND1 3.03Å; A529-H537 PolarHBondContact O-N 2.87Å; D531-H537 IonicContact OD2-NE2 2.8Å
538	T	94.1	Very high	94.2	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-20.3	-174.6	73.5	0	0	0	0	113.5	Y458 V508 V510 D540	Y458-T538 VanDerWaalsContact OH-CB 3.31Å; Y458-T538 WeakPolarHBondContact OH-CB 3.18Å; Y458-T538 PolarHBondContact OH-OG1 3.06Å; Y458-T538 VanDerWaalsContact OH-OG1 3.11Å; V508-T538 HydrophobicContact CB-CG2 4.37Å; V508-T538 HydrophobicContact CG1-CG2 4.29Å; V508-T538 WeakPolarHBondContact O-CB 3.34Å; V508-T538 VanDerWaalsContact O-CG2 3.26Å; V508-T538 WeakPolarHBondContact O-CG2 3.33Å; V508-T538 PolarHBondContact O-N 3.22Å; V508-T538 VanDerWaalsContact O-N 3.11Å; V508-T538 PolarHBondContact O-OG1 3.23Å; V510-T538 HydrophobicContact CG2-CG2 3.88Å; T538-D540 PolarHBondContact O-N 2.96Å; T538-D540 PolarHBondContact OG1-N 3.45Å; T538-D540 VanDerWaalsContact OG1-N 3.09Å
539	G	90.8	Very high	94.4	Very high	17 Å²	17	39.8 Å²	39.8	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.8	4.4	-169.3	0	0	0	0	0	114.5	E507 K556	E507-G539 VanDerWaalsContact OE1-CA 3.29Å; E507-G539 WeakPolarHBondContact OE1-CA 3.34Å; E507-G539 PolarHBondContact OE1-N 3.4Å; G539-K556 VanDerWaalsContact O-CB 3.3Å; G539-K556 WeakPolarHBondContact O-CB 3.5Å; G539-K556 PolarHBondContact O-N 3.27Å
540	D	90.9	Very high	94.6	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.8	172.3	-59.7	-59.5	0	0	0	109.8	Y458 E507 V508 T538 R555	Y458-D540 HydrophobicContact CE2-CB 4.29Å; Y458-D540 WeakPolarHBondContact CE2-OD2 3.48Å; Y458-D540 VanDerWaalsContact CZ-OD2 3.29Å; Y458-D540 WeakPolarHBondContact OH-CB 3.45Å; Y458-D540 PolarHBondContact OH-OD2 3.31Å; E507-D540 WeakPolarHBondContact CA-O 3.49Å; V508-D540 PolarHBondContact N-O 3.13Å; T538-D540 PolarHBondContact O-N 2.96Å; T538-D540 PolarHBondContact OG1-N 3.45Å; T538-D540 VanDerWaalsContact OG1-N 3.09Å; D540-R555 VanDerWaalsContact OD1-CG 3.28Å; D540-R555 WeakPolarHBondContact OD1-CG 3.26Å; D540-R555 IonicContact OD1-CZ 3.67Å; D540-R555 IonicContact OD1-NE 3.94Å; D540-R555 PolarHBondContact OD1-NE 3.06Å; D540-R555 IonicContact OD1-NH2 3.47Å; D540-R555 PolarHBondContact OD1-NH2 3.18Å; D540-R555 IonicContact OD2-NH2 2.76Å
541	I	90.4	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.3	177.8	-51	-57.3	0	0	0	109.4	V494 M497 Y499 G506 E507 I553 D554 K556	V494-I541 HydrophobicContact CB-CD1 4.45Å; V494-I541 HydrophobicContact CG2-CD1 3.77Å; M497-I541 HydrophobicContact CE-CD1 4Å; M497-I541 HydrophobicContact CE-CG1 3.8Å; Y499-I541 HydrophobicContact CD1-CG2 4.14Å; Y499-I541 HydrophobicContact CD2-CG1 4.33Å; Y499-I541 HydrophobicContact CD2-CG2 3.75Å; Y499-I541 HydrophobicContact CE1-CG2 4.26Å; Y499-I541 HydrophobicContact CE2-CG1 4.29Å; Y499-I541 HydrophobicContact CE2-CG2 3.87Å; Y499-I541 HydrophobicContact CG-CG2 3.88Å; G506-I541 CarbonylContact O-C 3.52Å; G506-I541 WeakPolarHBondContact O-CA 3.35Å; G506-I541 WeakPolarHBondContact O-CG2 3.49Å; E507-I541 HydrophobicContact CB-CD1 4.39Å; I541-I553 HydrophobicContact CB-CG1 4.12Å; I541-I553 HydrophobicContact CG2-CD1 3.8Å; I541-I553 HydrophobicContact CG2-CG1 3.67Å; I541-I553 WeakPolarHBondContact O-CG1 3.47Å; I541-I553 PolarHBondContact O-N 3.3Å; I541-D554 HydrophobicContact CB-CB 3.66Å; I541-D554 HydrophobicContact CG1-CB 3.81Å; I541-D554 HydrophobicContact CG2-CB 4.39Å; I541-D554 PolarHBondContact N-O 3.09Å; I541-D554 PolarHBondContact O-N 3.37Å; I541-K556 HydrophobicContact CD1-CB 4.26Å
542	G	94.4	Very high	94.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	161.9	179.4	0	0	0	0	0	112.7	E505 G506 K551	E505-G542 WeakPolarHBondContact CA-O 3.28Å; G506-G542 PolarHBondContact N-O 2.89Å; G506-G542 PolarHBondContact O-N 3.37Å; G542-K551 CarbonylContact C-O 3.58Å; G542-K551 VanDerWaalsContact CA-O 3.27Å; G542-K551 WeakPolarHBondContact CA-O 3.3Å
543	K	94.6	Very high	93.5	Very high	74 Å²	74	35.2 Å²	35.2	32%	0.322	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.5	171.4	179.8	170.7	-171.2	150.8	0	110.4	G504 E505 K551 I553	G504-K543 CarbonylContact O-C 3.07Å; G504-K543 VanDerWaalsContact O-CA 3.24Å; G504-K543 WeakPolarHBondContact O-CA 3.32Å; E505-K543 HydrophobicContact CG-CB 4.05Å; E505-K543 HydrophobicContact CG-CD 3.95Å; E505-K543 HydrophobicContact CG-CG 3.8Å; E505-K543 VanDerWaalsContact OE1-CD 3.31Å; E505-K543 WeakPolarHBondContact OE1-CD 3.32Å; E505-K543 VanDerWaalsContact OE1-CE 3.27Å; E505-K543 WeakPolarHBondContact OE1-CE 3.36Å; E505-K543 IonicContact OE1-NZ 3.66Å; E505-K543 PolarHBondContact OE1-NZ 3.33Å; K543-K551 PolarHBondContact N-O 2.68Å; K543-K551 PolarHBondContact O-N 3.29Å; K543-I553 HydrophobicContact CB-CD1 4.24Å; K543-I553 HydrophobicContact CB-CG2 4.07Å
544	W	96.8	Very high	92.4	Very high	35 Å²	35	32 Å²	32	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.1	168.9	-71.9	124	0	0	0	110.6	R71 P483 V489 L491 G504 L550	R71-W544 HydrophobicContact CB-CH2 3.96Å; R71-W544 HydrophobicContact CB-CZ2 3.87Å; R71-W544 VanDerWaalsContact CD-CE2 3.42Å; R71-W544 HydrophobicContact CG-CH2 4.31Å; R71-W544 HydrophobicContact CG-CZ2 3.87Å; P483-W544 HydrophobicContact CG-CH2 3.96Å; V489-W544 HydrophobicContact CB-CH2 4.06Å; V489-W544 HydrophobicContact CB-CZ2 4.02Å; V489-W544 HydrophobicContact CG1-CH2 4.11Å; V489-W544 HydrophobicContact CG1-CZ2 3.85Å; L491-W544 HydrophobicContact CD1-CG 4.02Å; G504-W544 PolarHBondContact O-N 3.31Å; W544-L550 HydrophobicContact CD2-CD1 4.25Å; W544-L550 HydrophobicContact CE3-CB 4.2Å; W544-L550 HydrophobicContact CE3-CD1 4.19Å; W544-L550 HydrophobicContact CH2-CB 4.26Å; W544-L550 HydrophobicContact CH2-CD1 4.34Å; W544-L550 HydrophobicContact CZ2-CD1 4.41Å; W544-L550 HydrophobicContact CZ3-CB 3.77Å; W544-L550 HydrophobicContact CZ3-CD1 4.24Å
545	L	95.6	Very high	91.4	Very high	53 Å²	53	33.7 Å²	33.7	28%	0.277	17%	0.173	S	C	.	.			trans	-95.3	159	168.9	-58	-176.6	0	0	0	110.4	H479 N547 G548 I549	H479-L545 HydrophobicContact CB-CD1 4.28Å; L545-N547 PolarHBondContact O-N 3.07Å; L545-G548 PolarHBondContact O-N 3.4Å; L545-I549 HydrophobicContact CB-CG1 3.93Å; L545-I549 HydrophobicContact CD1-CD1 3.98Å; L545-I549 HydrophobicContact CD1-CG1 3.81Å; L545-I549 HydrophobicContact CG-CG1 4.19Å; L545-I549 PolarHBondContact N-O 3.22Å
546	P	93.4	Very high	90.1	Very high	136 Å²	136	36.4 Å²	36.4	88%	0.883	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.1	-173	-28.5	36.1	0	0	0	115.1	G548	P546-G548 VanDerWaalsContact C-N 3.26Å; P546-G548 PolarHBondContact O-N 2.82Å
547	N	93.8	Very high	88.6	Confident	35 Å²	35	43.6 Å²	43.6	19%	0.187	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.8	178	63.2	-18.4	0	0	0	114.3	L57 T58 Q60 L545 I549	L57-N547 WeakPolarHBondContact O-CB 3.27Å; L57-N547 PolarHBondContact O-ND2 2.94Å; T58-N547 VanDerWaalsContact O-CA 3.24Å; T58-N547 WeakPolarHBondContact O-CA 3.49Å; T58-N547 WeakPolarHBondContact O-CB 3.42Å; Q60-N547 PolarHBondContact N-O 3.42Å; L545-N547 PolarHBondContact O-N 3.07Å; N547-I549 WeakPolarHBondContact OD1-CD1 3.07Å; N547-I549 VanDerWaalsContact OD1-CG1 3.27Å; N547-I549 WeakPolarHBondContact OD1-CG1 3.29Å
548	G	94.1	Very high	87	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	78.3	21.3	175.5	0	0	0	0	0	114.4	S61 L545 P546	S61-G548 VanDerWaalsContact CB-O 3.28Å; S61-G548 WeakPolarHBondContact CB-O 3.49Å; S61-G548 VanDerWaalsContact OG-C 3.25Å; S61-G548 WeakPolarHBondContact OG-CA 3.49Å; S61-G548 PolarHBondContact OG-O 3.38Å; L545-G548 PolarHBondContact O-N 3.4Å; P546-G548 VanDerWaalsContact C-N 3.26Å; P546-G548 PolarHBondContact O-N 2.82Å
549	I	96.3	Very high	85.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.212	C	C	.	.			trans	-101.3	151.6	172.9	72	-167.5	0	0	0	110.8	Q60 H479 L545 N547	Q60-I549 HydrophobicContact CB-CG2 3.82Å; Q60-I549 VanDerWaalsContact CD-CG2 3.44Å; Q60-I549 HydrophobicContact CG-CG2 4.06Å; H479-I549 HydrophobicContact CB-CD1 3.95Å; H479-I549 HydrophobicContact CB-CG1 4.16Å; H479-I549 VanDerWaalsContact CG-CD1 3.43Å; L545-I549 HydrophobicContact CB-CG1 3.93Å; L545-I549 HydrophobicContact CD1-CD1 3.98Å; L545-I549 HydrophobicContact CD1-CG1 3.81Å; L545-I549 HydrophobicContact CG-CG1 4.19Å; L545-I549 PolarHBondContact N-O 3.22Å; N547-I549 WeakPolarHBondContact OD1-CD1 3.07Å; N547-I549 VanDerWaalsContact OD1-CG1 3.27Å; N547-I549 WeakPolarHBondContact OD1-CG1 3.29Å
550	L	96.9	Very high	84.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.6	-180	-172	67.7	0	0	0	110.5	Y458 T468 H479 V480 G481 V489 L491 V508 W544 I552	Y458-L550 HydrophobicContact CD1-CD2 4.49Å; T468-L550 HydrophobicContact CG2-CB 4.4Å; T468-L550 HydrophobicContact CG2-CD2 3.94Å; H479-L550 WeakPolarHBondContact CB-O 3.49Å; V480-L550 HydrophobicContact CG2-CB 4.03Å; V480-L550 HydrophobicContact CG2-CD2 4.24Å; V480-L550 HydrophobicContact CG2-CG 4.19Å; V480-L550 VanDerWaalsContact CG2-O 3.23Å; V480-L550 WeakPolarHBondContact CG2-O 3.49Å; V480-L550 PolarHBondContact N-O 2.93Å; G481-L550 PolarHBondContact O-N 3.49Å; V489-L550 HydrophobicContact CG1-CD2 4.34Å; L491-L550 HydrophobicContact CD2-CD1 4.14Å; V508-L550 HydrophobicContact CG1-CD2 4.04Å; V508-L550 HydrophobicContact CG2-CD1 4.47Å; V508-L550 HydrophobicContact CG2-CD2 4.12Å; W544-L550 HydrophobicContact CD2-CD1 4.25Å; W544-L550 HydrophobicContact CE3-CB 4.2Å; W544-L550 HydrophobicContact CE3-CD1 4.19Å; W544-L550 HydrophobicContact CH2-CB 4.26Å; W544-L550 HydrophobicContact CH2-CD1 4.34Å; W544-L550 HydrophobicContact CZ2-CD1 4.41Å; W544-L550 HydrophobicContact CZ3-CB 3.77Å; W544-L550 HydrophobicContact CZ3-CD1 4.24Å; L550-I552 HydrophobicContact CD2-CD1 3.94Å; L550-I552 HydrophobicContact CG-CD1 4.32Å
551	K	93.8	Very high	82.9	Confident	87 Å²	87	47.9 Å²	47.9	38%	0.378	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127	166.2	176.6	174.6	-176.3	178.7	0	109.1	G478 G542 K543 I553	G478-K551 VanDerWaalsContact O-CD 3.31Å; G478-K551 WeakPolarHBondContact O-CD 3.36Å; G478-K551 WeakPolarHBondContact O-CE 3.27Å; G478-K551 VanDerWaalsContact O-CG 3.32Å; G478-K551 WeakPolarHBondContact O-CG 3.32Å; G542-K551 CarbonylContact C-O 3.58Å; G542-K551 VanDerWaalsContact CA-O 3.27Å; G542-K551 WeakPolarHBondContact CA-O 3.3Å; K543-K551 PolarHBondContact N-O 2.68Å; K543-K551 PolarHBondContact O-N 3.29Å; K551-I553 HydrophobicContact CD-CG2 4.16Å; K551-I553 HydrophobicContact CG-CG2 3.93Å
552	I	88.1	Confident	81.8	Confident	50 Å²	50	48 Å²	48	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.5	170	-53.2	-56.9	0	0	0	108.2	Y458 V480 V508 L550	Y458-I552 HydrophobicContact CD1-CD1 3.84Å; Y458-I552 HydrophobicContact CD1-CG1 4.38Å; Y458-I552 HydrophobicContact CD2-CD1 3.89Å; Y458-I552 HydrophobicContact CD2-CG1 3.74Å; Y458-I552 HydrophobicContact CE1-CD1 3.88Å; Y458-I552 HydrophobicContact CE2-CD1 3.91Å; Y458-I552 HydrophobicContact CE2-CG1 4.12Å; Y458-I552 HydrophobicContact CG-CD1 3.87Å; Y458-I552 HydrophobicContact CG-CG1 3.9Å; V480-I552 HydrophobicContact CG1-CG1 4.14Å; V480-I552 HydrophobicContact CG2-CD1 4.23Å; V480-I552 HydrophobicContact CG2-CG1 3.91Å; V508-I552 HydrophobicContact CG2-CD1 4.15Å; L550-I552 HydrophobicContact CD2-CD1 3.94Å; L550-I552 HydrophobicContact CG-CD1 4.32Å
553	I	82.6	Confident	80.1	Confident	47 Å²	47	50.7 Å²	50.7	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-24.5	-176.2	59.5	169.8	0	0	0	112.7	Y499 I541 K543 K551	Y499-I553 HydrophobicContact CD1-CD1 4.17Å; Y499-I553 HydrophobicContact CE1-CD1 3.57Å; I541-I553 HydrophobicContact CB-CG1 4.12Å; I541-I553 HydrophobicContact CG2-CD1 3.8Å; I541-I553 HydrophobicContact CG2-CG1 3.67Å; I541-I553 WeakPolarHBondContact O-CG1 3.47Å; I541-I553 PolarHBondContact O-N 3.3Å; K543-I553 HydrophobicContact CB-CD1 4.24Å; K543-I553 HydrophobicContact CB-CG2 4.07Å; K551-I553 HydrophobicContact CD-CG2 4.16Å; K551-I553 HydrophobicContact CG-CG2 3.93Å
554	D	70.2	Confident	78.1	Confident	21 Å²	21	52.4 Å²	52.4	11%	0.112	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	179.2	-174.2	-136.8	-28.4	0	0	0	114.8	Y499 I541 I559 A569	Y499-D554 PolarHBondContact OH-OD2 2.69Å; I541-D554 HydrophobicContact CB-CB 3.66Å; I541-D554 HydrophobicContact CG1-CB 3.81Å; I541-D554 HydrophobicContact CG2-CB 4.39Å; I541-D554 PolarHBondContact N-O 3.09Å; I541-D554 PolarHBondContact O-N 3.37Å; D554-I559 HydrophobicContact CB-CD1 3.89Å; D554-I559 WeakPolarHBondContact OD1-CD1 3.45Å; D554-I559 WeakPolarHBondContact OD1-CG1 3.29Å; D554-I559 WeakPolarHBondContact OD2-CD1 3.43Å; D554-A569 VanDerWaalsContact CG-CB 3.48Å; D554-A569 WeakPolarHBondContact OD1-CB 3.26Å; D554-A569 WeakPolarHBondContact OD2-CB 3.31Å
555	R	73	Confident	75.7	Confident	64 Å²	64	52 Å²	52	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.7	172.9	-74.2	-161.6	151.2	-159.1	-11.1	112.5	D540 K557 H558 I559	D540-R555 VanDerWaalsContact OD1-CG 3.28Å; D540-R555 WeakPolarHBondContact OD1-CG 3.26Å; D540-R555 IonicContact OD1-CZ 3.67Å; D540-R555 IonicContact OD1-NE 3.94Å; D540-R555 PolarHBondContact OD1-NE 3.06Å; D540-R555 IonicContact OD1-NH2 3.47Å; D540-R555 PolarHBondContact OD1-NH2 3.18Å; D540-R555 IonicContact OD2-NH2 2.76Å; R555-K557 PolarHBondContact O-N 2.86Å; R555-H558 HydrophobicContact CB-CB 3.98Å; R555-H558 PolarHBondContact O-N 2.72Å; R555-I559 WeakPolarHBondContact O-CD1 3.43Å; R555-I559 VanDerWaalsContact O-CG1 3.22Å; R555-I559 WeakPolarHBondContact O-CG1 3.12Å; R555-I559 PolarHBondContact O-N 3.42Å
556	K	69.2	Low	73.9	Confident	71 Å²	71	53.5 Å²	53.5	31%	0.309	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-39.4	-177.3	-169.6	174.7	-176.4	172.6	0	113.5	V494 E496 M497 E507 G539 I541	V494-K556 HydrophobicContact CG1-CD 4.42Å; V494-K556 HydrophobicContact CG1-CG 4.46Å; E496-K556 VanDerWaalsContact OE1-CE 3.32Å; E496-K556 WeakPolarHBondContact OE1-CE 3.5Å; E496-K556 IonicContact OE1-NZ 3.9Å; M497-K556 HydrophobicContact SD-CG 4.27Å; E507-K556 IonicContact OE2-NZ 3.82Å; G539-K556 VanDerWaalsContact O-CB 3.3Å; G539-K556 WeakPolarHBondContact O-CB 3.5Å; G539-K556 PolarHBondContact O-N 3.27Å; I541-K556 HydrophobicContact CD1-CB 4.26Å
557	K	65.5	Low	72.5	Confident	151 Å²	151	50.4 Å²	50.4	66%	0.657	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-13.7	-177.5	-66.6	-172.1	178.4	-176.1	0	115.4	R555	R555-K557 PolarHBondContact O-N 2.86Å
558	H	61.8	Low	71.5	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.102	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-2	-174.7	-67.2	-170.5	0	0	0	113.1	T279 R555 P570 E571	T279-H558 WeakPolarHBondContact CG2-NE2 3.21Å; R555-H558 HydrophobicContact CB-CB 3.98Å; R555-H558 PolarHBondContact O-N 2.72Å; H558-P570 VanDerWaalsContact O-CD 3.27Å; H558-P570 WeakPolarHBondContact O-CD 3.1Å; H558-P570 WeakPolarHBondContact O-CG 3.43Å; H558-E571 IonicContact CE1-OE1 3.52Å; H558-E571 IonicContact CG-OE1 2.85Å; H558-E571 IonicContact ND1-OE1 3.75Å; H558-E571 PolarHBondContact ND1-OE1 3.46Å
559	I	60.7	Low	70.7	Confident	24 Å²	24	49 Å²	49	12%	0.123	24%	0.238	C	C	.	.			trans	-87.7	135.9	176.9	-62.4	154.7	0	0	0	108	M497 D554 R555 Y567 I568	M497-I559 HydrophobicContact CE-CD1 3.05Å; M497-I559 HydrophobicContact CE-CG1 4.45Å; M497-I559 HydrophobicContact SD-CD1 3.98Å; D554-I559 HydrophobicContact CB-CD1 3.89Å; D554-I559 WeakPolarHBondContact OD1-CD1 3.45Å; D554-I559 WeakPolarHBondContact OD1-CG1 3.29Å; D554-I559 WeakPolarHBondContact OD2-CD1 3.43Å; R555-I559 WeakPolarHBondContact O-CD1 3.43Å; R555-I559 VanDerWaalsContact O-CG1 3.22Å; R555-I559 WeakPolarHBondContact O-CG1 3.12Å; R555-I559 PolarHBondContact O-N 3.42Å; I559-Y567 HydrophobicContact CG2-CD1 3.67Å; I559-Y567 HydrophobicContact CG2-CG 4.18Å; I559-I568 VanDerWaalsContact CA-O 3.28Å; I559-I568 WeakPolarHBondContact CA-O 3.45Å; I559-I568 WeakPolarHBondContact CG2-O 3.49Å
560	F	66.9	Low	70.1	Confident	41 Å²	41	49 Å²	49	18%	0.18	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.2	168.9	51.7	-97.4	0	0	0	108.4	L562 I568 P570 L597	F560-L562 HydrophobicContact CD2-CD2 4.34Å; F560-L562 HydrophobicContact CE2-CD2 4.15Å; F560-I568 HydrophobicContact CD2-CB 4.05Å; F560-I568 HydrophobicContact CD2-CG1 4.4Å; F560-I568 HydrophobicContact CE2-CB 3.46Å; F560-I568 VanDerWaalsContact CE2-CB 3.46Å; F560-I568 HydrophobicContact CE2-CG1 3.85Å; F560-I568 HydrophobicContact CE2-CG2 3.68Å; F560-I568 HydrophobicContact CZ-CB 3.87Å; F560-I568 HydrophobicContact CZ-CG2 3.6Å; F560-I568 PolarHBondContact N-O 2.92Å; F560-I568 PolarHBondContact O-N 3.15Å; F560-P570 HydrophobicContact CE1-CB 3.97Å; F560-P570 HydrophobicContact CE1-CG 3.84Å; F560-P570 HydrophobicContact CZ-CB 4.33Å; F560-L597 HydrophobicContact CE2-CD2 3.43Å; F560-L597 VanDerWaalsContact CE2-CD2 3.43Å; F560-L597 HydrophobicContact CZ-CD2 3.68Å
561	K	62.4	Low	69.2	Low	93 Å²	93	51.8 Å²	51.8	40%	0.404	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.4	175.3	-167.8	176.3	-173.3	160.2	0	108	G565 E566 Y567 S592	K561-G565 WeakPolarHBondContact CE-O 3.49Å; K561-E566 CarbonylContact C-O 3.55Å; K561-E566 WeakPolarHBondContact CA-O 3.41Å; K561-Y567 HydrophobicContact CB-CD1 4.39Å; K561-Y567 HydrophobicContact CB-CE1 4.17Å; K561-Y567 HydrophobicContact CD-CE1 4.36Å; K561-Y567 HydrophobicContact CD-CE2 4.14Å; K561-Y567 HydrophobicContact CG-CE1 4.39Å; K561-Y567 HydrophobicContact CG-CE2 4.27Å; K561-Y567 PolarHBondContact NZ-OH 3.2Å; K561-S592 WeakPolarHBondContact O-CA 3.3Å; K561-S592 PolarHBondContact O-N 3.43Å
562	L	67	Low	68.4	Low	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.251	C	S	.	.			trans	-86.4	168.4	167.3	-65.3	179.8	0	0	0	110.7	F560 Q564 G565 E566 I568 L597	F560-L562 HydrophobicContact CD2-CD2 4.34Å; F560-L562 HydrophobicContact CE2-CD2 4.15Å; L562-Q564 PolarHBondContact O-N 3.06Å; L562-Q564 VanDerWaalsContact O-N 3.08Å; L562-G565 WeakPolarHBondContact O-CA 3.41Å; L562-G565 PolarHBondContact O-N 3.21Å; L562-E566 PolarHBondContact N-O 3.37Å; L562-I568 HydrophobicContact CD1-CD1 3.78Å; L562-I568 HydrophobicContact CD1-CG1 3.73Å; L562-I568 HydrophobicContact CD2-CG1 4.38Å; L562-I568 HydrophobicContact CG-CD1 4.27Å; L562-I568 HydrophobicContact CG-CG1 3.68Å; L562-L597 HydrophobicContact CD1-CD2 4.28Å; L562-L597 HydrophobicContact CD2-CD2 3.83Å; L562-L597 HydrophobicContact CG-CD2 4.49Å
563	A	59.5	Low	68.4	Low	56 Å²	56	49.3 Å²	49.3	46%	0.463	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.8	-178.4	0	0	0	0	0	114	G565 S592 K594	A563-G565 PolarHBondContact O-N 2.87Å; A563-S592 VanDerWaalsContact CA-O 3.22Å; A563-S592 WeakPolarHBondContact CA-O 3.42Å; A563-S592 PolarHBondContact N-O 3.39Å; A563-K594 WeakPolarHBondContact CB-O 3.25Å; A563-K594 PolarHBondContact N-O 3.2Å
564	Q	53.3	Low	68.7	Low	110 Å²	110	47.8 Å²	47.8	51%	0.514	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.5	178	-61.5	67.9	36.1	0	0	112.8	L562 A595	L562-Q564 PolarHBondContact O-N 3.06Å; L562-Q564 VanDerWaalsContact O-N 3.08Å; Q564-A595 VanDerWaalsContact OE1-CA 3.28Å; Q564-A595 PolarHBondContact OE1-O 3Å
565	G	45	Very low	69.2	Low	27 Å²	27	49.2 Å²	49.2	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	91	1	-179.3	0	0	0	0	0	115.7	K561 L562 A563	K561-G565 WeakPolarHBondContact CE-O 3.49Å; L562-G565 WeakPolarHBondContact O-CA 3.41Å; L562-G565 PolarHBondContact O-N 3.21Å; A563-G565 PolarHBondContact O-N 2.87Å
566	E	59.5	Low	69.7	Low	84 Å²	84	46.7 Å²	46.7	39%	0.393	23%	0.232	S	C	.	.			trans	-72	137.2	173.5	-64.9	-63.1	156.9	0	0	111.2	K561 L562 F650	K561-E566 CarbonylContact C-O 3.55Å; K561-E566 WeakPolarHBondContact CA-O 3.41Å; L562-E566 PolarHBondContact N-O 3.37Å; E566-F650 HydrophobicContact CB-CD2 4.04Å; E566-F650 HydrophobicContact CB-CE2 3.98Å; E566-F650 HydrophobicContact CB-CG 4.48Å; E566-F650 HydrophobicContact CB-CZ 4.36Å; E566-F650 HydrophobicContact CG-CD1 4.28Å; E566-F650 HydrophobicContact CG-CD2 4.27Å; E566-F650 HydrophobicContact CG-CE1 4.19Å; E566-F650 HydrophobicContact CG-CE2 4.2Å; E566-F650 HydrophobicContact CG-CG 4.28Å; E566-F650 HydrophobicContact CG-CZ 4.13Å; E566-F650 WeakPolarHBondContact OE2-CZ 3.47Å
567	Y	63.3	Low	70.8	Confident	70 Å²	70	43.3 Å²	43.3	28%	0.275	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.9	176.6	-73.1	-95.4	0	0	0	110	E496 M497 I559 K561	E496-Y567 VanDerWaalsContact O-CE2 3.29Å; E496-Y567 WeakPolarHBondContact O-CE2 3.35Å; E496-Y567 PolarHBondContact O-OH 2.85Å; M497-Y567 HydrophobicContact CG-CD1 3.8Å; M497-Y567 HydrophobicContact CG-CE1 3.83Å; M497-Y567 HydrophobicContact CG-CG 4.4Å; I559-Y567 HydrophobicContact CG2-CD1 3.67Å; I559-Y567 HydrophobicContact CG2-CG 4.18Å; K561-Y567 HydrophobicContact CB-CD1 4.39Å; K561-Y567 HydrophobicContact CB-CE1 4.17Å; K561-Y567 HydrophobicContact CD-CE1 4.36Å; K561-Y567 HydrophobicContact CD-CE2 4.14Å; K561-Y567 HydrophobicContact CG-CE1 4.39Å; K561-Y567 HydrophobicContact CG-CE2 4.27Å; K561-Y567 PolarHBondContact NZ-OH 3.2Å
568	I	72.3	Confident	71.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.9	-174.7	-57	-64.1	0	0	0	110.5	I559 F560 L562 P570 I573 L597 F650 E651	I559-I568 VanDerWaalsContact CA-O 3.28Å; I559-I568 WeakPolarHBondContact CA-O 3.45Å; I559-I568 WeakPolarHBondContact CG2-O 3.49Å; F560-I568 HydrophobicContact CD2-CB 4.05Å; F560-I568 HydrophobicContact CD2-CG1 4.4Å; F560-I568 HydrophobicContact CE2-CB 3.46Å; F560-I568 VanDerWaalsContact CE2-CB 3.46Å; F560-I568 HydrophobicContact CE2-CG1 3.85Å; F560-I568 HydrophobicContact CE2-CG2 3.68Å; F560-I568 HydrophobicContact CZ-CB 3.87Å; F560-I568 HydrophobicContact CZ-CG2 3.6Å; F560-I568 PolarHBondContact N-O 2.92Å; F560-I568 PolarHBondContact O-N 3.15Å; L562-I568 HydrophobicContact CD1-CD1 3.78Å; L562-I568 HydrophobicContact CD1-CG1 3.73Å; L562-I568 HydrophobicContact CD2-CG1 4.38Å; L562-I568 HydrophobicContact CG-CD1 4.27Å; L562-I568 HydrophobicContact CG-CG1 3.68Å; I568-P570 WeakPolarHBondContact O-CD 3.2Å; I568-I573 HydrophobicContact CG2-CD1 3.6Å; I568-L597 HydrophobicContact CB-CD2 4.5Å; I568-L597 HydrophobicContact CD1-CD1 4.42Å; I568-L597 HydrophobicContact CG1-CD2 4.17Å; I568-L597 HydrophobicContact CG2-CD1 3.74Å; I568-L597 HydrophobicContact CG2-CD2 3.98Å; I568-F650 HydrophobicContact CD1-CD2 3.59Å; I568-F650 HydrophobicContact CD1-CE2 3.99Å; I568-E651 HydrophobicContact CD1-CG 4.3Å
569	A	77	Confident	73	Confident	7 Å²	7	43.4 Å²	43.4	6%	0.058	22%	0.217	C	C	.	.			trans	-93.3	92.6	169.7	0	0	0	0	0	109.6	D554 E571 K572	D554-A569 VanDerWaalsContact CG-CB 3.48Å; D554-A569 WeakPolarHBondContact OD1-CB 3.26Å; D554-A569 WeakPolarHBondContact OD2-CB 3.31Å; A569-E571 VanDerWaalsContact C-N 3.29Å; A569-E571 PolarHBondContact O-N 3.22Å; A569-K572 HydrophobicContact CB-CB 4.14Å; A569-K572 WeakPolarHBondContact O-CB 3.26Å; A569-K572 PolarHBondContact O-N 3.47Å
570	P	83.3	Confident	74.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-31.1	-172.5	29.1	-38.3	0	0	0	112.9	H558 F560 I568 K572 I573 E574 V588	H558-P570 VanDerWaalsContact O-CD 3.27Å; H558-P570 WeakPolarHBondContact O-CD 3.1Å; H558-P570 WeakPolarHBondContact O-CG 3.43Å; F560-P570 HydrophobicContact CE1-CB 3.97Å; F560-P570 HydrophobicContact CE1-CG 3.84Å; F560-P570 HydrophobicContact CZ-CB 4.33Å; I568-P570 WeakPolarHBondContact O-CD 3.2Å; P570-K572 VanDerWaalsContact C-N 3.29Å; P570-K572 PolarHBondContact O-N 2.95Å; P570-I573 WeakPolarHBondContact O-CB 3.39Å; P570-I573 PolarHBondContact O-N 3.41Å; P570-I573 VanDerWaalsContact O-N 3.11Å; P570-E574 WeakPolarHBondContact O-CB 3.38Å; P570-E574 VanDerWaalsContact O-CG 3.22Å; P570-E574 WeakPolarHBondContact O-CG 3.48Å; P570-E574 PolarHBondContact O-N 2.83Å; P570-V588 HydrophobicContact CB-CB 4.12Å; P570-V588 HydrophobicContact CB-CG1 4.23Å
571	E	78.1	Confident	75.4	Confident	58 Å²	58	45.2 Å²	45.2	27%	0.271	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-33.9	179.2	-66.7	-177.7	-170.5	0	0	112.5	H558 A569 I573 T575	H558-E571 IonicContact CE1-OE1 3.52Å; H558-E571 IonicContact CG-OE1 2.85Å; H558-E571 IonicContact ND1-OE1 3.75Å; H558-E571 PolarHBondContact ND1-OE1 3.46Å; A569-E571 VanDerWaalsContact C-N 3.29Å; A569-E571 PolarHBondContact O-N 3.22Å; E571-I573 VanDerWaalsContact C-N 3.34Å; E571-T575 VanDerWaalsContact O-CB 3.32Å; E571-T575 WeakPolarHBondContact O-CB 3.35Å; E571-T575 PolarHBondContact O-N 2.97Å; E571-T575 PolarHBondContact O-OG1 3.1Å
572	K	78.6	Confident	76.8	Confident	85 Å²	85	40.8 Å²	40.8	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-46.6	173.1	176	-169.1	168.4	-160.7	0	110.4	A569 P570 I576 L647 E651	A569-K572 HydrophobicContact CB-CB 4.14Å; A569-K572 WeakPolarHBondContact O-CB 3.26Å; A569-K572 PolarHBondContact O-N 3.47Å; P570-K572 VanDerWaalsContact C-N 3.29Å; P570-K572 PolarHBondContact O-N 2.95Å; K572-I576 HydrophobicContact CG-CD1 4.48Å; K572-I576 WeakPolarHBondContact O-CG1 3.23Å; K572-I576 PolarHBondContact O-N 3.37Å; K572-L647 HydrophobicContact CD-CD2 4.38Å; K572-L647 HydrophobicContact CG-CD2 4.44Å; K572-E651 IonicContact NZ-OE1 2.67Å; K572-E651 PolarHBondContact NZ-OE1 3.42Å; K572-E651 IonicContact NZ-OE2 3.19Å; K572-E651 PolarHBondContact NZ-OE2 3.3Å; K572-E651 VanDerWaalsContact NZ-OE2 3.17Å
573	I	86.6	Confident	78.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-49	-178.4	-60.3	162.7	0	0	0	109.9	I568 P570 E571 T575 I576 Y577 V588 L597 L647 E651	I568-I573 HydrophobicContact CG2-CD1 3.6Å; P570-I573 WeakPolarHBondContact O-CB 3.39Å; P570-I573 PolarHBondContact O-N 3.41Å; P570-I573 VanDerWaalsContact O-N 3.11Å; E571-I573 VanDerWaalsContact C-N 3.34Å; I573-T575 VanDerWaalsContact C-N 3.3Å; I573-T575 PolarHBondContact O-N 3.41Å; I573-I576 PolarHBondContact O-N 3.03Å; I573-I576 VanDerWaalsContact O-N 3.09Å; I573-Y577 HydrophobicContact CG2-CD2 3.52Å; I573-Y577 HydrophobicContact CG2-CE1 4.37Å; I573-Y577 HydrophobicContact CG2-CE2 3.16Å; I573-Y577 HydrophobicContact CG2-CG 4.31Å; I573-Y577 PolarHBondContact O-N 2.98Å; I573-V588 HydrophobicContact CB-CG2 4.37Å; I573-V588 HydrophobicContact CD1-CG1 4.4Å; I573-V588 HydrophobicContact CG2-CG1 4.48Å; I573-V588 HydrophobicContact CG2-CG2 3.88Å; I573-L597 HydrophobicContact CD1-CD1 3.5Å; I573-L597 VanDerWaalsContact CD1-CD1 3.5Å; I573-L647 HydrophobicContact CB-CD1 4.33Å; I573-L647 HydrophobicContact CG1-CD1 4.2Å; I573-L647 HydrophobicContact CG1-CD2 3.99Å; I573-L647 HydrophobicContact CG2-CD1 3.92Å; I573-E651 HydrophobicContact CD1-CB 4.04Å; I573-E651 WeakPolarHBondContact CD1-O 3.38Å; I573-E651 HydrophobicContact CG1-CB 4.25Å; I573-E651 WeakPolarHBondContact CG1-O 3.12Å
574	E	89.4	Confident	79.6	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-42	177.9	-69.8	166.1	167.4	0	0	111.9	P570 I576 Y577 N578 I586 F587 V588 R678	P570-E574 WeakPolarHBondContact O-CB 3.38Å; P570-E574 VanDerWaalsContact O-CG 3.22Å; P570-E574 WeakPolarHBondContact O-CG 3.48Å; P570-E574 PolarHBondContact O-N 2.83Å; E574-I576 VanDerWaalsContact C-N 3.29Å; E574-I576 PolarHBondContact O-N 3.34Å; E574-Y577 PolarHBondContact O-N 3.04Å; E574-N578 WeakPolarHBondContact O-CB 3.48Å; E574-N578 VanDerWaalsContact O-CG 3.27Å; E574-N578 PolarHBondContact O-N 3.32Å; E574-N578 PolarHBondContact O-ND2 2.93Å; E574-I586 HydrophobicContact CB-CG2 3.9Å; E574-I586 HydrophobicContact CG-CG2 4.06Å; E574-F587 WeakPolarHBondContact OE1-CA 3.4Å; E574-V588 HydrophobicContact CG-CB 3.94Å; E574-V588 HydrophobicContact CG-CG2 3.6Å; E574-V588 PolarHBondContact OE1-N 3.33Å; E574-R678 IonicContact OE1-CZ 2.6Å; E574-R678 IonicContact OE1-NH1 3.67Å; E574-R678 PolarHBondContact OE1-NH1 3.47Å; E574-R678 IonicContact OE1-NH2 3.24Å; E574-R678 PolarHBondContact OE1-NH2 2.86Å; E574-R678 IonicContact OE2-CZ 2.89Å; E574-R678 IonicContact OE2-NH1 2.72Å; E574-R678 PolarHBondContact OE2-NH1 2.63Å; E574-R678 IonicContact OE2-NH2 3.95Å
575	T	80.7	Confident	81.4	Confident	50 Å²	50	35.5 Å²	35.5	31%	0.307	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-32.9	178.3	-59.8	0	0	0	0	112.6	E571 I573	E571-T575 VanDerWaalsContact O-CB 3.32Å; E571-T575 WeakPolarHBondContact O-CB 3.35Å; E571-T575 PolarHBondContact O-N 2.97Å; E571-T575 PolarHBondContact O-OG1 3.1Å; I573-T575 VanDerWaalsContact C-N 3.3Å; I573-T575 PolarHBondContact O-N 3.41Å
576	I	82.8	Confident	83.8	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.062	17%	0.17	C	C	.	.	H	α-helix	trans	-76.7	-46.5	177	-68.7	166	0	0	0	110.1	K572 I573 E574 N578 R579 L641 L647	K572-I576 HydrophobicContact CG-CD1 4.48Å; K572-I576 WeakPolarHBondContact O-CG1 3.23Å; K572-I576 PolarHBondContact O-N 3.37Å; I573-I576 PolarHBondContact O-N 3.03Å; I573-I576 VanDerWaalsContact O-N 3.09Å; E574-I576 VanDerWaalsContact C-N 3.29Å; E574-I576 PolarHBondContact O-N 3.34Å; I576-N578 VanDerWaalsContact C-N 3.34Å; I576-N578 PolarHBondContact O-N 3.38Å; I576-R579 VanDerWaalsContact O-CB 3.29Å; I576-R579 WeakPolarHBondContact O-CB 3.25Å; I576-R579 VanDerWaalsContact O-CG 3.3Å; I576-R579 WeakPolarHBondContact O-CG 3.31Å; I576-R579 PolarHBondContact O-N 2.83Å; I576-R579 VanDerWaalsContact O-N 3.14Å; I576-L641 HydrophobicContact CG2-CB 4.49Å; I576-L641 WeakPolarHBondContact CG2-O 2.8Å; I576-L647 HydrophobicContact CD1-CD1 4.27Å; I576-L647 HydrophobicContact CD1-CD2 3.63Å; I576-L647 HydrophobicContact CD1-CG 3.78Å; I576-L647 HydrophobicContact CG2-CD1 4.49Å
577	Y	92.7	Very high	85.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-31.2	-178.7	-67.6	-17.3	0	0	0	113.6	I573 E574 R579 S580 I586 V588 I638 L647 Q652 V653	I573-Y577 HydrophobicContact CG2-CD2 3.52Å; I573-Y577 HydrophobicContact CG2-CE1 4.37Å; I573-Y577 HydrophobicContact CG2-CE2 3.16Å; I573-Y577 HydrophobicContact CG2-CG 4.31Å; I573-Y577 PolarHBondContact O-N 2.98Å; E574-Y577 PolarHBondContact O-N 3.04Å; Y577-R579 PolarHBondContact O-N 3.15Å; Y577-S580 VanDerWaalsContact O-CB 3.31Å; Y577-S580 WeakPolarHBondContact O-CB 3.45Å; Y577-S580 PolarHBondContact O-N 2.98Å; Y577-I586 HydrophobicContact CD2-CD1 3.52Å; Y577-I586 HydrophobicContact CE2-CD1 4.43Å; Y577-I586 HydrophobicContact CG-CD1 4.19Å; Y577-V588 HydrophobicContact CD2-CG2 4.36Å; Y577-I638 HydrophobicContact CD1-CB 3.72Å; Y577-I638 HydrophobicContact CD1-CG1 4.44Å; Y577-I638 VanDerWaalsContact CD1-O 3.25Å; Y577-I638 WeakPolarHBondContact CD1-O 3.47Å; Y577-I638 HydrophobicContact CD2-CD1 4.25Å; Y577-I638 HydrophobicContact CE1-CB 4.13Å; Y577-I638 HydrophobicContact CE1-CG1 4.48Å; Y577-I638 WeakPolarHBondContact CE1-O 3.47Å; Y577-I638 HydrophobicContact CE2-CD1 4.33Å; Y577-I638 HydrophobicContact CG-CB 3.96Å; Y577-I638 HydrophobicContact CG-CD1 4.42Å; Y577-L647 HydrophobicContact CE1-CD1 3.79Å; Y577-Q652 VanDerWaalsContact OH-CA 3.31Å; Y577-Q652 WeakPolarHBondContact OH-CA 3.29Å; Y577-V653 HydrophobicContact CE2-CB 4.34Å; Y577-V653 HydrophobicContact CE2-CG1 3.93Å; Y577-V653 HydrophobicContact CE2-CG2 3.65Å; Y577-V653 PolarHBondContact OH-N 3.48Å
578	N	89.2	Confident	87	Confident	64 Å²	64	27.5 Å²	27.5	34%	0.342	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-2.2	172.3	-80.4	-41.6	0	0	0	114.4	E574 I576 S580	E574-N578 WeakPolarHBondContact O-CB 3.48Å; E574-N578 VanDerWaalsContact O-CG 3.27Å; E574-N578 PolarHBondContact O-N 3.32Å; E574-N578 PolarHBondContact O-ND2 2.93Å; I576-N578 VanDerWaalsContact C-N 3.34Å; I576-N578 PolarHBondContact O-N 3.38Å; N578-S580 VanDerWaalsContact C-N 3.32Å
579	R	85.3	Confident	87.9	Confident	110 Å²	110	28.1 Å²	28.1	42%	0.415	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.3	171.6	-60.4	177.6	-173.7	-177.6	2.6	113.1	I576 Y577 D581 L641	I576-R579 VanDerWaalsContact O-CB 3.29Å; I576-R579 WeakPolarHBondContact O-CB 3.25Å; I576-R579 VanDerWaalsContact O-CG 3.3Å; I576-R579 WeakPolarHBondContact O-CG 3.31Å; I576-R579 PolarHBondContact O-N 2.83Å; I576-R579 VanDerWaalsContact O-N 3.14Å; Y577-R579 PolarHBondContact O-N 3.15Å; R579-D581 PolarHBondContact O-N 3.07Å; R579-L641 HydrophobicContact CB-CD1 4.25Å
580	S	90.1	Very high	88.2	Confident	4 Å²	4	28 Å²	28	3%	0.028	14%	0.141	C	C	.	.	S	Bend	trans	-69.6	122.8	177.2	179.8	0	0	0	0	109.7	Y577 N578 P582 V583 D637	Y577-S580 VanDerWaalsContact O-CB 3.31Å; Y577-S580 WeakPolarHBondContact O-CB 3.45Å; Y577-S580 PolarHBondContact O-N 2.98Å; N578-S580 VanDerWaalsContact C-N 3.32Å; S580-P582 VanDerWaalsContact C-CD 3.43Å; S580-P582 VanDerWaalsContact C-N 3.32Å; S580-P582 VanDerWaalsContact OG-CD 3.26Å; S580-P582 WeakPolarHBondContact OG-CD 3.36Å; S580-P582 WeakPolarHBondContact OG-CG 3.22Å; S580-V583 PolarHBondContact O-N 3.28Å; S580-D637 VanDerWaalsContact CB-OD2 3.26Å; S580-D637 WeakPolarHBondContact CB-OD2 3.43Å; S580-D637 PolarHBondContact OG-OD2 3.11Å
581	D	87.9	Confident	87.7	Confident	99 Å²	99	29 Å²	29	53%	0.529	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-45.7	178.9	-81.4	4.9	0	0	0	114.3	R579 V583 F607 W611	R579-D581 PolarHBondContact O-N 3.07Å; D581-V583 VanDerWaalsContact C-N 3.28Å; D581-V583 PolarHBondContact O-N 3.09Å; D581-F607 WeakPolarHBondContact O-CB 3.4Å; D581-W611 HydrophobicContact CB-CG 4.49Å
582	P	92.1	Very high	87.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	-179.6	30.3	-38.4	0	0	0	114.5	S580 P603 D604 L608 W611 I634	S580-P582 VanDerWaalsContact C-CD 3.43Å; S580-P582 VanDerWaalsContact C-N 3.32Å; S580-P582 VanDerWaalsContact OG-CD 3.26Å; S580-P582 WeakPolarHBondContact OG-CD 3.36Å; S580-P582 WeakPolarHBondContact OG-CG 3.22Å; P582-P603 CarbonylContact O-C 3.51Å; P582-P603 WeakPolarHBondContact O-CA 3.32Å; P582-D604 PolarHBondContact O-N 3.42Å; P582-L608 HydrophobicContact CB-CD1 3.79Å; P582-W611 HydrophobicContact CB-CB 4.4Å; P582-W611 HydrophobicContact CB-CD2 3.91Å; P582-W611 HydrophobicContact CB-CE3 3.95Å; P582-W611 HydrophobicContact CB-CG 4.12Å; P582-W611 HydrophobicContact CG-CD2 3.75Å; P582-W611 HydrophobicContact CG-CE3 4.06Å; P582-W611 HydrophobicContact CG-CG 4.12Å; P582-W611 HydrophobicContact CG-CH2 4.39Å; P582-W611 HydrophobicContact CG-CZ2 4.11Å; P582-W611 HydrophobicContact CG-CZ3 4.38Å; P582-I634 HydrophobicContact CB-CD1 4.22Å; P582-I634 HydrophobicContact CB-CG1 4.18Å; P582-I634 HydrophobicContact CG-CD1 4.47Å; P582-I634 HydrophobicContact CG-CG1 3.92Å
583	V	94.2	Very high	86.6	Confident	10 Å²	10	32.1 Å²	32.1	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.2	-172.7	178	0	0	0	0	111.1	S580 D581 I586 V601 I634 I638	S580-V583 PolarHBondContact O-N 3.28Å; D581-V583 VanDerWaalsContact C-N 3.28Å; D581-V583 PolarHBondContact O-N 3.09Å; V583-I586 HydrophobicContact CG1-CB 4.34Å; V583-V601 HydrophobicContact CG1-CG1 4.22Å; V583-V601 HydrophobicContact CG2-CG1 3.89Å; V583-I634 HydrophobicContact CG2-CG2 4.08Å; V583-I638 HydrophobicContact CG2-CG2 4.07Å
584	A	89.9	Confident	86	Confident	27 Å²	27	35.1 Å²	35.1	22%	0.223	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-41.2	171.7	0	0	0	0	0	112.8	V602 D604 M662	A584-V602 WeakPolarHBondContact CB-O 3.41Å; A584-V602 PolarHBondContact N-O 2.98Å; A584-D604 HydrophobicContact CB-CB 3.84Å; A584-M662 HydrophobicContact CB-CE 4.35Å; A584-M662 HydrophobicContact CB-SD 3.81Å
585	Q	92.6	Very high	85.2	Confident	21 Å²	21	36.6 Å²	36.6	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.7	177.7	-55.6	174.5	-68.1	0	0	109.9	V602 M662 F663	Q585-V602 HydrophobicContact CB-CB 4.04Å; Q585-V602 HydrophobicContact CB-CG2 4.22Å; Q585-V602 PolarHBondContact N-O 2.99Å; Q585-V602 VanDerWaalsContact N-O 3.15Å; Q585-V602 PolarHBondContact O-N 3.46Å; Q585-M662 HydrophobicContact CG-CE 3.88Å; Q585-M662 HydrophobicContact CG-SD 4.15Å; Q585-M662 PolarHBondContact OE1-SD 3.42Å; Q585-F663 HydrophobicContact CB-CD2 4.01Å; Q585-F663 HydrophobicContact CB-CE2 4.1Å; Q585-F663 PolarHBondContact NE2-O 3.03Å; Q585-F663 VanDerWaalsContact NE2-O 3.08Å
586	I	95.2	Very high	85.3	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.2	172	-179.1	163.4	0	0	0	110.4	E574 Y577 V583 V588 I600 V601 I638	E574-I586 HydrophobicContact CB-CG2 3.9Å; E574-I586 HydrophobicContact CG-CG2 4.06Å; Y577-I586 HydrophobicContact CD2-CD1 3.52Å; Y577-I586 HydrophobicContact CE2-CD1 4.43Å; Y577-I586 HydrophobicContact CG-CD1 4.19Å; V583-I586 HydrophobicContact CG1-CB 4.34Å; I586-V588 HydrophobicContact CD1-CG2 4.19Å; I586-V588 HydrophobicContact CG1-CG2 4.15Å; I586-I600 CarbonylContact C-O 3.46Å; I586-I600 VanDerWaalsContact CA-O 3.31Å; I586-I600 WeakPolarHBondContact CA-O 3.48Å; I586-V601 HydrophobicContact CB-CG2 4.48Å; I586-V601 HydrophobicContact CD1-CG2 3.77Å; I586-V601 HydrophobicContact CG1-CG2 4.09Å; I586-I638 HydrophobicContact CD1-CD1 4.42Å
587	F	94.8	Very high	85.8	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.6	168.8	171.5	-122.4	0	0	0	109.5	E574 H589 G599 I600 F663 R678 L681 R682 I689	E574-F587 WeakPolarHBondContact OE1-CA 3.4Å; F587-H589 HydrophobicContact CE1-CB 4.08Å; F587-H589 HydrophobicContact CZ-CB 4.25Å; F587-G599 CarbonylContact O-C 3.46Å; F587-G599 VanDerWaalsContact O-CA 3.29Å; F587-G599 WeakPolarHBondContact O-CA 3.35Å; F587-I600 HydrophobicContact CB-CB 4.38Å; F587-I600 HydrophobicContact CD1-CG1 4.2Å; F587-I600 PolarHBondContact N-O 2.82Å; F587-I600 PolarHBondContact O-N 3.45Å; F587-F663 HydrophobicContact CB-CE2 3.93Å; F587-F663 HydrophobicContact CB-CZ 4.13Å; F587-R678 HydrophobicContact CE2-CB 4.1Å; F587-R678 HydrophobicContact CE2-CG 4.34Å; F587-L681 HydrophobicContact CB-CD1 4.45Å; F587-L681 HydrophobicContact CD1-CB 3.95Å; F587-L681 HydrophobicContact CD2-CB 4.17Å; F587-L681 HydrophobicContact CD2-CD1 3.85Å; F587-L681 HydrophobicContact CE1-CB 3.8Å; F587-L681 HydrophobicContact CE2-CB 4.04Å; F587-L681 HydrophobicContact CE2-CD1 4.26Å; F587-L681 HydrophobicContact CG-CB 4.13Å; F587-L681 HydrophobicContact CG-CD1 4.11Å; F587-L681 HydrophobicContact CZ-CB 3.84Å; F587-R682 HydrophobicContact CZ-CB 4.4Å; F587-I689 HydrophobicContact CE1-CD1 4.09Å
588	V	94.3	Very high	85.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.1	176	175.4	0	0	0	0	109.5	P570 I573 E574 Y577 I586 L597 V653 R678	P570-V588 HydrophobicContact CB-CB 4.12Å; P570-V588 HydrophobicContact CB-CG1 4.23Å; I573-V588 HydrophobicContact CB-CG2 4.37Å; I573-V588 HydrophobicContact CD1-CG1 4.4Å; I573-V588 HydrophobicContact CG2-CG1 4.48Å; I573-V588 HydrophobicContact CG2-CG2 3.88Å; E574-V588 HydrophobicContact CG-CB 3.94Å; E574-V588 HydrophobicContact CG-CG2 3.6Å; E574-V588 PolarHBondContact OE1-N 3.33Å; Y577-V588 HydrophobicContact CD2-CG2 4.36Å; I586-V588 HydrophobicContact CD1-CG2 4.19Å; I586-V588 HydrophobicContact CG1-CG2 4.15Å; V588-L597 HydrophobicContact CG1-CB 4.28Å; V588-L597 HydrophobicContact CG1-CD1 4.09Å; V588-V653 HydrophobicContact CG1-CG1 4.12Å; V588-V653 HydrophobicContact CG2-CG1 4.12Å; V588-R678 PolarHBondContact O-NH2 2.91Å
589	H	90.8	Very high	86.2	Confident	12 Å²	12	31.8 Å²	31.8	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.4	178.3	-178.5	66	0	0	0	111	F587 V598 I689 Y693	F587-H589 HydrophobicContact CE1-CB 4.08Å; F587-H589 HydrophobicContact CZ-CB 4.25Å; H589-V598 HydrophobicContact CB-CG2 4.28Å; H589-V598 PolarHBondContact N-O 3.04Å; H589-V598 PolarHBondContact O-N 2.93Å; H589-I689 HydrophobicContact CB-CD1 4.24Å; H589-I689 WeakPolarHBondContact CD2-CG2 3.28Å; H589-Y693 AromaticContact CD2-CE2 3.84Å; H589-Y693 PolarHBondContact O-OH 3.41Å
590	G	84.1	Confident	86.8	Confident	4 Å²	4	26.7 Å²	26.7	4%	0.041	16%	0.157	C	C	.	.			trans	-138.3	155.8	167.8	0	0	0	0	0	110.6	Y693	G590-Y693 VanDerWaalsContact CA-OH 3.24Å; G590-Y693 WeakPolarHBondContact CA-OH 3.45Å
591	D	72.6	Confident	87.2	Confident	24 Å²	24	26.5 Å²	26.5	13%	0.128	16%	0.156	C	C	.	.			trans	-127.7	141.6	179.5	-169.4	-62.2	0	0	0	109.2	L593 K594 R682 Y693	D591-L593 PolarHBondContact O-N 3.29Å; D591-L593 VanDerWaalsContact O-N 3.13Å; D591-L593 WeakPolarHBondContact OD1-CB 3.34Å; D591-L593 PolarHBondContact OD1-N 3.49Å; D591-K594 HydrophobicContact CB-CB 4.22Å; D591-K594 HydrophobicContact CB-CG 3.85Å; D591-K594 PolarHBondContact O-N 2.92Å; D591-R682 IonicContact OD2-NH2 3.89Å; D591-R682 PolarHBondContact OD2-NH2 3.34Å; D591-Y693 HydrophobicContact CB-CE2 4.5Å; D591-Y693 PolarHBondContact N-OH 2.8Å
592	S	66.4	Low	87.6	Confident	74 Å²	74	21.8 Å²	21.8	52%	0.517	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	179.1	49.2	0	0	0	0	114.7	K561 A563	K561-S592 WeakPolarHBondContact O-CA 3.3Å; K561-S592 PolarHBondContact O-N 3.43Å; A563-S592 VanDerWaalsContact CA-O 3.22Å; A563-S592 WeakPolarHBondContact CA-O 3.42Å; A563-S592 PolarHBondContact N-O 3.39Å
593	L	66.1	Low	87.8	Confident	135 Å²	135	21.8 Å²	21.8	71%	0.707	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.9	175.6	-57.2	177.7	0	0	0	112.8	D591	D591-L593 PolarHBondContact O-N 3.29Å; D591-L593 VanDerWaalsContact O-N 3.13Å; D591-L593 WeakPolarHBondContact OD1-CB 3.34Å; D591-L593 PolarHBondContact OD1-N 3.49Å
594	K	74.1	Confident	87.6	Confident	62 Å²	62	23 Å²	23	27%	0.27	14%	0.137	S	C	.	.			trans	-115.8	149.5	-174.9	-60.6	-65.6	-174.4	178.6	0	111.5	A563 D591 Y693 M698	A563-K594 WeakPolarHBondContact CB-O 3.25Å; A563-K594 PolarHBondContact N-O 3.2Å; D591-K594 HydrophobicContact CB-CB 4.22Å; D591-K594 HydrophobicContact CB-CG 3.85Å; D591-K594 PolarHBondContact O-N 2.92Å; K594-Y693 HydrophobicContact CB-CD1 4.1Å; K594-Y693 HydrophobicContact CB-CE1 3.59Å; K594-Y693 HydrophobicContact CD-CD1 3.81Å; K594-Y693 HydrophobicContact CD-CE1 4.19Å; K594-Y693 HydrophobicContact CD-CG 4.08Å; K594-Y693 HydrophobicContact CG-CD1 3.75Å; K594-Y693 HydrophobicContact CG-CD2 4.34Å; K594-Y693 HydrophobicContact CG-CE1 3.61Å; K594-Y693 HydrophobicContact CG-CE2 4.18Å; K594-Y693 HydrophobicContact CG-CG 4.12Å; K594-M698 HydrophobicContact CD-CE 4.04Å
595	A	73.5	Confident	87.5	Confident	46 Å²	46	24.7 Å²	24.7	38%	0.38	15%	0.145	S	C	.	.	S	Bend	trans	-88.8	-7.2	-175.2	0	0	0	0	0	114.9	Q564	Q564-A595 VanDerWaalsContact OE1-CA 3.28Å; Q564-A595 PolarHBondContact OE1-O 3Å
596	C	83.3	Confident	87.2	Confident	25 Å²	25	29.5 Å²	29.5	17%	0.169	17%	0.172	C	C	.	.	S	Bend	trans	-151.7	168.1	-168.4	59	0	0	0	0	110.2	R654 Y693	C596-R654 HydrophobicContact CB-CB 3.95Å; C596-R654 HydrophobicContact CB-CG 4.49Å; C596-Y693 WeakPolarHBondContact O-CE1 3.47Å
597	L	92.3	Very high	86.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	154.5	-179.8	-55.7	177.4	0	0	0	111.2	F560 L562 I568 I573 V588 E651 V653 R654	F560-L597 HydrophobicContact CE2-CD2 3.43Å; F560-L597 VanDerWaalsContact CE2-CD2 3.43Å; F560-L597 HydrophobicContact CZ-CD2 3.68Å; L562-L597 HydrophobicContact CD1-CD2 4.28Å; L562-L597 HydrophobicContact CD2-CD2 3.83Å; L562-L597 HydrophobicContact CG-CD2 4.49Å; I568-L597 HydrophobicContact CB-CD2 4.5Å; I568-L597 HydrophobicContact CD1-CD1 4.42Å; I568-L597 HydrophobicContact CG1-CD2 4.17Å; I568-L597 HydrophobicContact CG2-CD1 3.74Å; I568-L597 HydrophobicContact CG2-CD2 3.98Å; I573-L597 HydrophobicContact CD1-CD1 3.5Å; I573-L597 VanDerWaalsContact CD1-CD1 3.5Å; V588-L597 HydrophobicContact CG1-CB 4.28Å; V588-L597 HydrophobicContact CG1-CD1 4.09Å; L597-E651 WeakPolarHBondContact CD1-O 3.22Å; L597-V653 HydrophobicContact CB-CG1 3.97Å; L597-V653 CarbonylContact O-C 3.53Å; L597-V653 WeakPolarHBondContact O-CA 3.22Å; L597-R654 PolarHBondContact O-N 3Å
598	V	95.7	Very high	86.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.6	170.5	-63	0	0	0	0	109.7	H589 D655 I689 L692 Y693 I696	H589-V598 HydrophobicContact CB-CG2 4.28Å; H589-V598 PolarHBondContact N-O 3.04Å; H589-V598 PolarHBondContact O-N 2.93Å; V598-D655 WeakPolarHBondContact CA-O 3.45Å; V598-I689 HydrophobicContact CG2-CG2 4.2Å; V598-L692 HydrophobicContact CB-CB 3.97Å; V598-L692 HydrophobicContact CB-CD1 3.94Å; V598-L692 HydrophobicContact CG1-CB 3.75Å; V598-L692 HydrophobicContact CG2-CB 4.43Å; V598-L692 HydrophobicContact CG2-CD1 4.35Å; V598-Y693 HydrophobicContact CG1-CD1 3.91Å; V598-Y693 HydrophobicContact CG1-CE1 3.74Å; V598-Y693 HydrophobicContact CG1-CG 4.38Å; V598-Y693 HydrophobicContact CG2-CD2 4.33Å; V598-Y693 HydrophobicContact CG2-CE1 4.25Å; V598-Y693 HydrophobicContact CG2-CE2 3.78Å; V598-I696 HydrophobicContact CG1-CD1 3.58Å
599	G	96.2	Very high	86.4	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.4	-177.6	0	0	0	0	0	114.2	F587 D655 I656 A657	F587-G599 CarbonylContact O-C 3.46Å; F587-G599 VanDerWaalsContact O-CA 3.29Å; F587-G599 WeakPolarHBondContact O-CA 3.35Å; G599-D655 PolarHBondContact N-O 3.3Å; G599-I656 CarbonylContact O-C 3.46Å; G599-I656 WeakPolarHBondContact O-CA 3.41Å; G599-A657 PolarHBondContact O-N 3.01Å
600	I	97.7	Very high	86.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.7	164.3	-50.9	-60	0	0	0	107.3	I586 F587 A657 H659 F663 F685 Q688 I689 L692	I586-I600 CarbonylContact C-O 3.46Å; I586-I600 VanDerWaalsContact CA-O 3.31Å; I586-I600 WeakPolarHBondContact CA-O 3.48Å; F587-I600 HydrophobicContact CB-CB 4.38Å; F587-I600 HydrophobicContact CD1-CG1 4.2Å; F587-I600 PolarHBondContact N-O 2.82Å; F587-I600 PolarHBondContact O-N 3.45Å; I600-A657 HydrophobicContact CD1-CB 3.87Å; I600-H659 HydrophobicContact CG2-CB 3.87Å; I600-F663 HydrophobicContact CG2-CZ 4.26Å; I600-F685 HydrophobicContact CD1-CB 4.22Å; I600-F685 HydrophobicContact CD1-CG 4.4Å; I600-F685 HydrophobicContact CG1-CB 4.01Å; I600-F685 HydrophobicContact CG1-CD1 4.44Å; I600-F685 HydrophobicContact CG1-CD2 4.2Å; I600-F685 HydrophobicContact CG1-CG 3.97Å; I600-F685 HydrophobicContact CG2-CD1 4.17Å; I600-F685 HydrophobicContact CG2-CD2 4.33Å; I600-F685 HydrophobicContact CG2-CE1 4.09Å; I600-F685 HydrophobicContact CG2-CE2 4.25Å; I600-F685 HydrophobicContact CG2-CG 4.31Å; I600-F685 HydrophobicContact CG2-CZ 4.15Å; I600-Q688 HydrophobicContact CD1-CB 4.1Å; I600-I689 HydrophobicContact CD1-CG1 4.36Å; I600-L692 HydrophobicContact CD1-CD1 4.17Å
601	V	97.6	Very high	86.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	179.8	170.2	0	0	0	0	108.8	V583 I586 P603 I634 I656 A657 L658 H659	V583-V601 HydrophobicContact CG1-CG1 4.22Å; V583-V601 HydrophobicContact CG2-CG1 3.89Å; I586-V601 HydrophobicContact CB-CG2 4.48Å; I586-V601 HydrophobicContact CD1-CG2 3.77Å; I586-V601 HydrophobicContact CG1-CG2 4.09Å; V601-P603 WeakPolarHBondContact O-CD 3.4Å; V601-I634 HydrophobicContact CG1-CG2 4.39Å; V601-I656 HydrophobicContact CG2-CB 4.24Å; V601-I656 HydrophobicContact CG2-CD1 4.03Å; V601-I656 HydrophobicContact CG2-CG2 4.16Å; V601-A657 PolarHBondContact N-O 3.42Å; V601-L658 HydrophobicContact CB-CD2 3.87Å; V601-L658 HydrophobicContact CG1-CD2 3.92Å; V601-L658 CarbonylContact O-C 3.53Å; V601-L658 WeakPolarHBondContact O-CA 3.43Å; V601-H659 PolarHBondContact O-N 2.91Å
602	V	97	Very high	87.5	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.8	165	-176.1	0	0	0	0	107.9	A584 Q585 H659 E661 M662 F663	A584-V602 WeakPolarHBondContact CB-O 3.41Å; A584-V602 PolarHBondContact N-O 2.98Å; Q585-V602 HydrophobicContact CB-CB 4.04Å; Q585-V602 HydrophobicContact CB-CG2 4.22Å; Q585-V602 PolarHBondContact N-O 2.99Å; Q585-V602 VanDerWaalsContact N-O 3.15Å; Q585-V602 PolarHBondContact O-N 3.46Å; V602-H659 WeakPolarHBondContact CA-O 3.29Å; V602-E661 WeakPolarHBondContact CG2-O 3.33Å; V602-M662 HydrophobicContact CG1-CG 4.25Å; V602-M662 HydrophobicContact CG1-SD 3.67Å; V602-F663 HydrophobicContact CG2-CD1 4.02Å; V602-F663 HydrophobicContact CG2-CE1 3.5Å; V602-F663 HydrophobicContact CG2-CE2 4.15Å; V602-F663 HydrophobicContact CG2-CZ 3.59Å
603	P	95.5	Very high	88.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	152.3	177.6	-21.7	36.1	0	0	0	112.6	P582 V601 L608 Y621 L658 H659	P582-P603 CarbonylContact O-C 3.51Å; P582-P603 WeakPolarHBondContact O-CA 3.32Å; V601-P603 WeakPolarHBondContact O-CD 3.4Å; P603-L608 HydrophobicContact CB-CB 4.12Å; P603-L608 HydrophobicContact CB-CD1 4.21Å; P603-L608 HydrophobicContact CB-CD2 3.64Å; P603-L608 HydrophobicContact CB-CG 4.18Å; P603-L608 HydrophobicContact CG-CD2 4.25Å; P603-Y621 HydrophobicContact CB-CE2 4.14Å; P603-Y621 PolarHBondContact O-OH 3.34Å; P603-Y621 VanDerWaalsContact O-OH 3.06Å; P603-L658 HydrophobicContact CG-CB 4.41Å; P603-L658 HydrophobicContact CG-CD2 4.3Å; P603-H659 VanDerWaalsContact CD-O 3.26Å; P603-H659 WeakPolarHBondContact CD-O 3.31Å
604	D	90.7	Very high	89.7	Confident	35 Å²	35	41.6 Å²	41.6	19%	0.187	22%	0.215	C	C	.	.			trans	-78.1	123.3	175.8	-169.7	-63.9	0	0	0	110.8	P582 A584 D606 F607 L608	P582-D604 PolarHBondContact O-N 3.42Å; A584-D604 HydrophobicContact CB-CB 3.84Å; D604-D606 VanDerWaalsContact C-N 3.27Å; D604-D606 PolarHBondContact O-N 3.2Å; D604-D606 WeakPolarHBondContact OD1-CA 3.45Å; D604-D606 WeakPolarHBondContact OD1-CB 3.33Å; D604-D606 PolarHBondContact OD1-N 3.04Å; D604-F607 HydrophobicContact CB-CB 4.07Å; D604-F607 HydrophobicContact CB-CD2 4.37Å; D604-F607 PolarHBondContact O-N 2.84Å; D604-F607 WeakPolarHBondContact OD1-CD2 3.04Å; D604-F607 PolarHBondContact OD1-N 3.08Å; D604-L608 WeakPolarHBondContact O-CA 3.47Å; D604-L608 WeakPolarHBondContact O-CB 3.45Å; D604-L608 PolarHBondContact O-N 3.24Å
605	P	88.1	Confident	90.4	Very high	63 Å²	63	43.5 Å²	43.5	41%	0.409	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.3	-176.2	27.9	-35.2	0	0	0	113.6	P609 Y621	P605-P609 WeakPolarHBondContact O-CD 3.26Å; P605-Y621 HydrophobicContact CB-CD2 4.22Å; P605-Y621 HydrophobicContact CB-CE2 4.02Å
606	D	85.7	Confident	91.2	Very high	123 Å²	123	44.4 Å²	44.4	66%	0.658	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-35.8	179.4	-66.2	-32.5	0	0	0	111	D604 I610	D604-D606 VanDerWaalsContact C-N 3.27Å; D604-D606 PolarHBondContact O-N 3.2Å; D604-D606 WeakPolarHBondContact OD1-CA 3.45Å; D604-D606 WeakPolarHBondContact OD1-CB 3.33Å; D604-D606 PolarHBondContact OD1-N 3.04Å; D606-I610 WeakPolarHBondContact O-CD1 3.3Å
607	F	87.3	Confident	91.6	Very high	72 Å²	72	45.4 Å²	45.4	32%	0.316	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-31.4	-174.1	-68	-80.4	0	0	0	114.9	D581 D604 I610 W611	D581-F607 WeakPolarHBondContact O-CB 3.4Å; D604-F607 HydrophobicContact CB-CB 4.07Å; D604-F607 HydrophobicContact CB-CD2 4.37Å; D604-F607 PolarHBondContact O-N 2.84Å; D604-F607 WeakPolarHBondContact OD1-CD2 3.04Å; D604-F607 PolarHBondContact OD1-N 3.08Å; F607-I610 PolarHBondContact O-N 3.48Å; F607-W611 WeakPolarHBondContact O-CB 3.33Å; F607-W611 PolarHBondContact O-N 2.69Å
608	L	90.9	Very high	91.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55	-48.4	179	176.7	72.4	0	0	0	112	P582 P603 D604 I610 W611 A612 Y621 L624 V630 I634	P582-L608 HydrophobicContact CB-CD1 3.79Å; P603-L608 HydrophobicContact CB-CB 4.12Å; P603-L608 HydrophobicContact CB-CD1 4.21Å; P603-L608 HydrophobicContact CB-CD2 3.64Å; P603-L608 HydrophobicContact CB-CG 4.18Å; P603-L608 HydrophobicContact CG-CD2 4.25Å; D604-L608 WeakPolarHBondContact O-CA 3.47Å; D604-L608 WeakPolarHBondContact O-CB 3.45Å; D604-L608 PolarHBondContact O-N 3.24Å; L608-I610 VanDerWaalsContact C-N 3.29Å; L608-I610 PolarHBondContact O-N 3.28Å; L608-W611 HydrophobicContact CD1-CE3 4.41Å; L608-W611 PolarHBondContact O-N 3.24Å; L608-A612 WeakPolarHBondContact O-CB 3.39Å; L608-A612 PolarHBondContact O-N 2.72Å; L608-Y621 HydrophobicContact CD2-CD2 3.88Å; L608-Y621 HydrophobicContact CD2-CE2 3.99Å; L608-L624 HydrophobicContact CD2-CB 3.77Å; L608-L624 HydrophobicContact CD2-CD1 4.32Å; L608-L624 HydrophobicContact CG-CB 4.43Å; L608-L624 HydrophobicContact CG-CD1 4.29Å; L608-V630 HydrophobicContact CD1-CG1 4.18Å; L608-I634 HydrophobicContact CD1-CD1 3.92Å
609	P	89.3	Confident	91	Very high	48 Å²	48	55.2 Å²	55.2	31%	0.312	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-36	-179	-22.8	35.2	0	0	0	112.8	P605 K613 L624	P605-P609 WeakPolarHBondContact O-CD 3.26Å; P609-K613 WeakPolarHBondContact O-CB 3.46Å; P609-K613 PolarHBondContact O-N 3.16Å; P609-K613 VanDerWaalsContact O-N 3.09Å; P609-L624 HydrophobicContact CB-CD1 4.46Å
610	I	89	Confident	90.8	Very high	95 Å²	95	58 Å²	58	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-69.2	-44.4	178.6	-58.3	174.2	0	0	0	110.3	D606 F607 L608 K614	D606-I610 WeakPolarHBondContact O-CD1 3.3Å; F607-I610 PolarHBondContact O-N 3.48Å; L608-I610 VanDerWaalsContact C-N 3.29Å; L608-I610 PolarHBondContact O-N 3.28Å; I610-K614 WeakPolarHBondContact O-CG 3.39Å; I610-K614 PolarHBondContact O-N 3.41Å
611	W	90.9	Very high	90.4	Very high	16 Å²	16	60.1 Å²	60.1	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-46.5	178.5	-178.7	94.1	0	0	0	111.3	D581 P582 F607 L608 K613 K614 Q615 A633 I634 D637	D581-W611 HydrophobicContact CB-CG 4.49Å; P582-W611 HydrophobicContact CB-CB 4.4Å; P582-W611 HydrophobicContact CB-CD2 3.91Å; P582-W611 HydrophobicContact CB-CE3 3.95Å; P582-W611 HydrophobicContact CB-CG 4.12Å; P582-W611 HydrophobicContact CG-CD2 3.75Å; P582-W611 HydrophobicContact CG-CE3 4.06Å; P582-W611 HydrophobicContact CG-CG 4.12Å; P582-W611 HydrophobicContact CG-CH2 4.39Å; P582-W611 HydrophobicContact CG-CZ2 4.11Å; P582-W611 HydrophobicContact CG-CZ3 4.38Å; F607-W611 WeakPolarHBondContact O-CB 3.33Å; F607-W611 PolarHBondContact O-N 2.69Å; L608-W611 HydrophobicContact CD1-CE3 4.41Å; L608-W611 PolarHBondContact O-N 3.24Å; W611-K613 VanDerWaalsContact C-N 3.32Å; W611-K613 PolarHBondContact O-N 3.19Å; W611-K614 WeakPolarHBondContact O-CB 3.46Å; W611-K614 PolarHBondContact O-N 3.34Å; W611-Q615 HydrophobicContact CD2-CG 4.06Å; W611-Q615 HydrophobicContact CE3-CG 4.14Å; W611-Q615 HydrophobicContact CH2-CG 3.95Å; W611-Q615 HydrophobicContact CZ2-CG 3.85Å; W611-Q615 HydrophobicContact CZ3-CG 4.08Å; W611-Q615 WeakPolarHBondContact O-CG 3.43Å; W611-Q615 PolarHBondContact O-N 2.77Å; W611-Q615 VanDerWaalsContact O-N 3.12Å; W611-A633 HydrophobicContact CH2-CB 3.66Å; W611-A633 HydrophobicContact CZ3-CB 4.34Å; W611-I634 HydrophobicContact CH2-CG1 3.85Å; W611-I634 HydrophobicContact CZ3-CG1 3.82Å; W611-D637 HydrophobicContact CZ2-CB 4.38Å
612	A	90.3	Very high	90.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-56.1	-45.7	177.4	0	0	0	0	0	111.4	L608 K614 Q615 G616 F617 L624	L608-A612 WeakPolarHBondContact O-CB 3.39Å; L608-A612 PolarHBondContact O-N 2.72Å; A612-K614 VanDerWaalsContact C-N 3.31Å; A612-K614 PolarHBondContact O-N 2.56Å; A612-Q615 CarbonylContact O-C 3.54Å; A612-Q615 WeakPolarHBondContact O-CA 3.4Å; A612-Q615 PolarHBondContact O-N 2.89Å; A612-G616 PolarHBondContact O-N 2.81Å; A612-G616 VanDerWaalsContact O-N 3.1Å; A612-F617 CarbonylContact C-O 3.57Å; A612-F617 VanDerWaalsContact C-O 3.28Å; A612-F617 HydrophobicContact CB-CB 4.06Å; A612-F617 PolarHBondContact O-N 3.16Å; A612-L624 HydrophobicContact CB-CD1 3.81Å; A612-L624 HydrophobicContact CB-CD2 3.91Å; A612-L624 HydrophobicContact CB-CG 4.49Å
613	K	90.1	Very high	89.9	Confident	151 Å²	151	70.3 Å²	70.3	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-60.5	-37.5	176.6	-171.3	174.7	-174.6	172.4	0	113.1	P609 W611 Q615 G616 F617	P609-K613 WeakPolarHBondContact O-CB 3.46Å; P609-K613 PolarHBondContact O-N 3.16Å; P609-K613 VanDerWaalsContact O-N 3.09Å; W611-K613 VanDerWaalsContact C-N 3.32Å; W611-K613 PolarHBondContact O-N 3.19Å; K613-Q615 VanDerWaalsContact C-N 3.28Å; K613-Q615 PolarHBondContact O-N 3.05Å; K613-G616 PolarHBondContact O-N 2.88Å; K613-F617 WeakPolarHBondContact CA-O 3.11Å; K613-F617 PolarHBondContact N-O 3.33Å
614	K	89.2	Confident	89.7	Confident	134 Å²	134	70.4 Å²	70.4	58%	0.583	38%	0.375	S	S	*	.	H	α-helix	trans	-67.3	-31	175.5	-68.9	171.4	-175.1	167.9	0	112.3	I610 W611 A612 G616	I610-K614 WeakPolarHBondContact O-CG 3.39Å; I610-K614 PolarHBondContact O-N 3.41Å; W611-K614 WeakPolarHBondContact O-CB 3.46Å; W611-K614 PolarHBondContact O-N 3.34Å; A612-K614 VanDerWaalsContact C-N 3.31Å; A612-K614 PolarHBondContact O-N 2.56Å; K614-G616 VanDerWaalsContact C-N 3.28Å
615	Q	87.5	Confident	89.8	Confident	103 Å²	103	69.4 Å²	69.4	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.7	176.3	-61.1	-61.3	-19.1	0	0	113	W611 A612 K613 F617	W611-Q615 HydrophobicContact CD2-CG 4.06Å; W611-Q615 HydrophobicContact CE3-CG 4.14Å; W611-Q615 HydrophobicContact CH2-CG 3.95Å; W611-Q615 HydrophobicContact CZ2-CG 3.85Å; W611-Q615 HydrophobicContact CZ3-CG 4.08Å; W611-Q615 WeakPolarHBondContact O-CG 3.43Å; W611-Q615 PolarHBondContact O-N 2.77Å; W611-Q615 VanDerWaalsContact O-N 3.12Å; A612-Q615 CarbonylContact O-C 3.54Å; A612-Q615 WeakPolarHBondContact O-CA 3.4Å; A612-Q615 PolarHBondContact O-N 2.89Å; K613-Q615 VanDerWaalsContact C-N 3.28Å; K613-Q615 PolarHBondContact O-N 3.05Å; Q615-F617 HydrophobicContact CB-CD2 3.66Å; Q615-F617 HydrophobicContact CB-CE2 3.71Å
616	G	91.4	Very high	90	Very high	65 Å²	65	76.4 Å²	76.4	67%	0.67	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	13.5	178.9	0	0	0	0	0	115	A612 K613 K614	A612-G616 PolarHBondContact O-N 2.81Å; A612-G616 VanDerWaalsContact O-N 3.1Å; K613-G616 PolarHBondContact O-N 2.88Å; K614-G616 VanDerWaalsContact C-N 3.28Å
617	F	91.5	Very high	90.3	Very high	45 Å²	45	73 Å²	73	20%	0.197	37%	0.37	C	S	.	.			trans	-98.1	138.9	175.5	-54.9	-66.2	0	0	0	111.4	A612 K613 Q615 L624 D629 V630 A633	A612-F617 CarbonylContact C-O 3.57Å; A612-F617 VanDerWaalsContact C-O 3.28Å; A612-F617 HydrophobicContact CB-CB 4.06Å; A612-F617 PolarHBondContact O-N 3.16Å; K613-F617 WeakPolarHBondContact CA-O 3.11Å; K613-F617 PolarHBondContact N-O 3.33Å; Q615-F617 HydrophobicContact CB-CD2 3.66Å; Q615-F617 HydrophobicContact CB-CE2 3.71Å; F617-L624 HydrophobicContact CB-CD2 4.17Å; F617-D629 HydrophobicContact CE1-CB 3.55Å; F617-D629 HydrophobicContact CZ-CB 3.93Å; F617-V630 HydrophobicContact CB-CG2 3.95Å; F617-V630 HydrophobicContact CD1-CG2 4.04Å; F617-V630 HydrophobicContact CD2-CG2 3.85Å; F617-V630 HydrophobicContact CE2-CG2 4.35Å; F617-V630 HydrophobicContact CG-CG2 3.68Å; F617-A633 HydrophobicContact CE2-CB 3.95Å; F617-A633 HydrophobicContact CZ-CB 4.38Å
618	E	87.8	Confident	90.6	Very high	167 Å²	167	77.8 Å²	77.8	78%	0.78	39%	0.391	S	S	*	.			trans	-125.8	147.5	175.4	-62.7	-167.5	160.5	0	0	110.6
619	G	88.1	Confident	90.8	Very high	40 Å²	40	82.6 Å²	82.6	41%	0.412	42%	0.417	S	S	.	.	S	Bend	trans	154.5	167.1	178.9	0	0	0	0	0	112.6
620	S	90.6	Very high	91	Very high	60 Å²	60	80.3 Å²	80.3	42%	0.42	40%	0.402	S	S	.	.			trans	-67.1	159.9	167.1	66.8	0	0	0	0	111	L622 E623 L624	S620-L622 VanDerWaalsContact C-N 3.26Å; S620-L622 PolarHBondContact O-N 3.36Å; S620-E623 VanDerWaalsContact CB-OE2 3.3Å; S620-E623 WeakPolarHBondContact CB-OE2 3.2Å; S620-E623 PolarHBondContact N-OE2 2.83Å; S620-E623 PolarHBondContact O-N 2.75Å; S620-E623 VanDerWaalsContact OG-CG 3.26Å; S620-E623 WeakPolarHBondContact OG-CG 3.49Å; S620-E623 PolarHBondContact OG-N 3.12Å; S620-E623 PolarHBondContact OG-OE2 3.06Å; S620-L624 WeakPolarHBondContact O-CG 3.18Å; S620-L624 PolarHBondContact O-N 3.1Å
621	Y	90.1	Very high	91.4	Very high	46 Å²	46	78.1 Å²	78.1	18%	0.18	39%	0.389	C	S	.	.	H	α-helix	trans	-51	-44.2	179.4	173.5	-104	0	0	0	113.1	P603 P605 L608 L624 C625 P660	P603-Y621 HydrophobicContact CB-CE2 4.14Å; P603-Y621 PolarHBondContact O-OH 3.34Å; P603-Y621 VanDerWaalsContact O-OH 3.06Å; P605-Y621 HydrophobicContact CB-CD2 4.22Å; P605-Y621 HydrophobicContact CB-CE2 4.02Å; L608-Y621 HydrophobicContact CD2-CD2 3.88Å; L608-Y621 HydrophobicContact CD2-CE2 3.99Å; Y621-L624 PolarHBondContact O-N 3.23Å; Y621-C625 PolarHBondContact O-N 2.73Å; Y621-C625 PolarHBondContact O-SG 2.85Å; Y621-P660 HydrophobicContact CE1-CB 3.85Å; Y621-P660 PolarHBondContact OH-O 2.92Å
622	L	92.1	Very high	91.6	Very high	94 Å²	94	80 Å²	80	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-34.7	179.6	-68.2	176.2	0	0	0	112.8	S620 R626 P660	S620-L622 VanDerWaalsContact C-N 3.26Å; S620-L622 PolarHBondContact O-N 3.36Å; L622-R626 WeakPolarHBondContact O-CG 3.47Å; L622-R626 PolarHBondContact O-N 3.43Å; L622-P660 HydrophobicContact CD2-CB 3.78Å; L622-P660 HydrophobicContact CD2-CG 4.24Å
623	E	91.7	Very high	91.9	Very high	119 Å²	119	80.8 Å²	80.8	56%	0.556	41%	0.414	S	S	*	.	H	α-helix	trans	-69.1	-42.5	175.2	-71.4	163.9	149.3	0	0	111	S620 C625 R626 N627	S620-E623 VanDerWaalsContact CB-OE2 3.3Å; S620-E623 WeakPolarHBondContact CB-OE2 3.2Å; S620-E623 PolarHBondContact N-OE2 2.83Å; S620-E623 PolarHBondContact O-N 2.75Å; S620-E623 VanDerWaalsContact OG-CG 3.26Å; S620-E623 WeakPolarHBondContact OG-CG 3.49Å; S620-E623 PolarHBondContact OG-N 3.12Å; S620-E623 PolarHBondContact OG-OE2 3.06Å; E623-C625 VanDerWaalsContact C-N 3.33Å; E623-C625 PolarHBondContact O-N 3.39Å; E623-R626 PolarHBondContact O-N 3.49Å; E623-R626 VanDerWaalsContact O-N 3.09Å; E623-N627 PolarHBondContact O-N 3.42Å; E623-N627 VanDerWaalsContact O-N 3.08Å
624	L	92	Very high	92.2	Very high	3 Å²	3	73.6 Å²	73.6	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-40.8	176	-66.7	173.8	0	0	0	111.6	L608 P609 A612 F617 S620 Y621 R626 N627 V630	L608-L624 HydrophobicContact CD2-CB 3.77Å; L608-L624 HydrophobicContact CD2-CD1 4.32Å; L608-L624 HydrophobicContact CG-CB 4.43Å; L608-L624 HydrophobicContact CG-CD1 4.29Å; P609-L624 HydrophobicContact CB-CD1 4.46Å; A612-L624 HydrophobicContact CB-CD1 3.81Å; A612-L624 HydrophobicContact CB-CD2 3.91Å; A612-L624 HydrophobicContact CB-CG 4.49Å; F617-L624 HydrophobicContact CB-CD2 4.17Å; S620-L624 WeakPolarHBondContact O-CG 3.18Å; S620-L624 PolarHBondContact O-N 3.1Å; Y621-L624 PolarHBondContact O-N 3.23Å; L624-R626 PolarHBondContact O-N 3Å; L624-N627 PolarHBondContact O-N 2.96Å; L624-V630 HydrophobicContact CD2-CG2 4.01Å
625	C	91.9	Very high	92.6	Very high	13 Å²	13	68.4 Å²	68.4	9%	0.088	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-26.1	175.4	-68.2	0	0	0	0	113.3	Y621 E623 L658	Y621-C625 PolarHBondContact O-N 2.73Å; Y621-C625 PolarHBondContact O-SG 2.85Å; E623-C625 VanDerWaalsContact C-N 3.33Å; E623-C625 PolarHBondContact O-N 3.39Å; C625-L658 WeakPolarHBondContact O-CB 3.44Å
626	R	92.5	Very high	93	Very high	210 Å²	210	69.7 Å²	69.7	79%	0.792	37%	0.367	S	S	*	.	H	α-helix	trans	-91.4	-9.9	178.2	-69.6	175	179.6	173.9	0.8	113.1	L622 E623 L624	L622-R626 WeakPolarHBondContact O-CG 3.47Å; L622-R626 PolarHBondContact O-N 3.43Å; E623-R626 PolarHBondContact O-N 3.49Å; E623-R626 VanDerWaalsContact O-N 3.09Å; L624-R626 PolarHBondContact O-N 3Å
627	N	93	Very high	93.1	Very high	51 Å²	51	68.7 Å²	68.7	27%	0.273	35%	0.347	S	S	.	.			trans	-79	124.7	-175.4	-172.9	-34.4	0	0	0	111.1	E623 L624 D629 V630 K631	E623-N627 PolarHBondContact O-N 3.42Å; E623-N627 VanDerWaalsContact O-N 3.08Å; L624-N627 PolarHBondContact O-N 2.96Å; N627-D629 WeakPolarHBondContact OD1-CB 3.21Å; N627-D629 PolarHBondContact OD1-N 2.9Å; N627-V630 HydrophobicContact CB-CB 4.02Å; N627-V630 HydrophobicContact CB-CG2 3.76Å; N627-V630 PolarHBondContact O-N 3.44Å; N627-V630 PolarHBondContact OD1-N 2.82Å; N627-K631 PolarHBondContact O-N 2.95Å
628	K	93.3	Very high	93.4	Very high	173 Å²	173	66.6 Å²	66.6	75%	0.752	34%	0.338	S	S	*	.	H	α-helix	trans	-68.2	-33.7	-178.9	-68.3	-177.4	179.2	177	0	113	K631 A632	K628-K631 WeakPolarHBondContact O-CB 3.45Å; K628-K631 PolarHBondContact O-N 2.92Å; K628-A632 PolarHBondContact O-N 3.16Å
629	D	94.3	Very high	93.8	Very high	102 Å²	102	60.7 Å²	60.7	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-73.8	-37.3	-180	-56.9	-39	0	0	0	110.6	F617 N627 A632 A633	F617-D629 HydrophobicContact CE1-CB 3.55Å; F617-D629 HydrophobicContact CZ-CB 3.93Å; N627-D629 WeakPolarHBondContact OD1-CB 3.21Å; N627-D629 PolarHBondContact OD1-N 2.9Å; D629-A632 PolarHBondContact O-N 3.12Å; D629-A633 WeakPolarHBondContact O-CB 3.28Å; D629-A633 PolarHBondContact O-N 3Å
630	V	94.6	Very high	94.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-46	171.4	175.3	0	0	0	0	110.5	L608 F617 L624 N627 A632 A633 I634 L658	L608-V630 HydrophobicContact CD1-CG1 4.18Å; F617-V630 HydrophobicContact CB-CG2 3.95Å; F617-V630 HydrophobicContact CD1-CG2 4.04Å; F617-V630 HydrophobicContact CD2-CG2 3.85Å; F617-V630 HydrophobicContact CE2-CG2 4.35Å; F617-V630 HydrophobicContact CG-CG2 3.68Å; L624-V630 HydrophobicContact CD2-CG2 4.01Å; N627-V630 HydrophobicContact CB-CB 4.02Å; N627-V630 HydrophobicContact CB-CG2 3.76Å; N627-V630 PolarHBondContact O-N 3.44Å; N627-V630 PolarHBondContact OD1-N 2.82Å; V630-A632 VanDerWaalsContact C-N 3.31Å; V630-A632 PolarHBondContact O-N 3.28Å; V630-A633 PolarHBondContact O-N 3.3Å; V630-I634 HydrophobicContact CG1-CD1 3.89Å; V630-I634 HydrophobicContact CG1-CG1 4.44Å; V630-I634 WeakPolarHBondContact O-CG1 3.16Å; V630-I634 PolarHBondContact O-N 3.1Å; V630-L658 HydrophobicContact CG1-CD1 4.45Å
631	K	95.8	Very high	94	Very high	49 Å²	49	61.2 Å²	61.2	21%	0.213	30%	0.299	C	S	.	.	H	α-helix	trans	-55.3	-46.9	173.4	176.4	-168.5	142	161.5	0	111.3	N627 K628 I634 L635 D655 I656 L658	N627-K631 PolarHBondContact O-N 2.95Å; K628-K631 WeakPolarHBondContact O-CB 3.45Å; K628-K631 PolarHBondContact O-N 2.92Å; K631-I634 PolarHBondContact O-N 2.73Å; K631-L635 WeakPolarHBondContact O-CB 3.44Å; K631-L635 PolarHBondContact O-N 3.41Å; K631-D655 WeakPolarHBondContact CE-OD1 3.39Å; K631-D655 IonicContact NZ-OD1 2.72Å; K631-D655 PolarHBondContact NZ-OD1 3.31Å; K631-D655 IonicContact NZ-OD2 2.81Å; K631-D655 PolarHBondContact NZ-OD2 3.31Å; K631-I656 WeakPolarHBondContact CD-O 3.17Å; K631-I656 WeakPolarHBondContact CE-O 3.48Å; K631-I656 HydrophobicContact CG-CD1 4.3Å; K631-I656 HydrophobicContact CG-CG1 3.94Å; K631-I656 PolarHBondContact NZ-O 3.11Å; K631-L658 HydrophobicContact CB-CD1 4.02Å; K631-L658 HydrophobicContact CB-CG 4.17Å; K631-L658 HydrophobicContact CG-CG 4.33Å
632	A	95.8	Very high	93.9	Very high	54 Å²	54	59 Å²	59	45%	0.446	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-42.3	-179.6	0	0	0	0	0	112	K628 D629 V630 L635 E636	K628-A632 PolarHBondContact O-N 3.16Å; D629-A632 PolarHBondContact O-N 3.12Å; V630-A632 VanDerWaalsContact C-N 3.31Å; V630-A632 PolarHBondContact O-N 3.28Å; A632-L635 WeakPolarHBondContact O-CB 3.28Å; A632-L635 PolarHBondContact O-N 3.41Å; A632-E636 PolarHBondContact O-N 3.18Å
633	A	95.9	Very high	93.7	Very high	18 Å²	18	61.6 Å²	61.6	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-40	177.5	0	0	0	0	0	112.3	W611 F617 D629 V630 E636 D637	W611-A633 HydrophobicContact CH2-CB 3.66Å; W611-A633 HydrophobicContact CZ3-CB 4.34Å; F617-A633 HydrophobicContact CE2-CB 3.95Å; F617-A633 HydrophobicContact CZ-CB 4.38Å; D629-A633 WeakPolarHBondContact O-CB 3.28Å; D629-A633 PolarHBondContact O-N 3Å; V630-A633 PolarHBondContact O-N 3.3Å; A633-E636 PolarHBondContact O-N 2.88Å; A633-D637 PolarHBondContact O-N 3.34Å
634	I	96.7	Very high	93.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-43.4	173.9	-67.8	171.2	0	0	0	110.4	P582 V583 V601 L608 W611 V630 K631 E636 D637 I638 I656 L658	P582-I634 HydrophobicContact CB-CD1 4.22Å; P582-I634 HydrophobicContact CB-CG1 4.18Å; P582-I634 HydrophobicContact CG-CD1 4.47Å; P582-I634 HydrophobicContact CG-CG1 3.92Å; V583-I634 HydrophobicContact CG2-CG2 4.08Å; V601-I634 HydrophobicContact CG1-CG2 4.39Å; L608-I634 HydrophobicContact CD1-CD1 3.92Å; W611-I634 HydrophobicContact CH2-CG1 3.85Å; W611-I634 HydrophobicContact CZ3-CG1 3.82Å; V630-I634 HydrophobicContact CG1-CD1 3.89Å; V630-I634 HydrophobicContact CG1-CG1 4.44Å; V630-I634 WeakPolarHBondContact O-CG1 3.16Å; V630-I634 PolarHBondContact O-N 3.1Å; K631-I634 PolarHBondContact O-N 2.73Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.36Å; I634-D637 PolarHBondContact O-N 2.84Å; I634-I638 HydrophobicContact CG2-CG2 4.48Å; I634-I638 WeakPolarHBondContact O-CG1 3.45Å; I634-I638 PolarHBondContact O-N 3.09Å; I634-I656 HydrophobicContact CB-CD1 4.32Å; I634-I656 HydrophobicContact CG2-CD1 3.92Å; I634-L658 HydrophobicContact CD1-CD1 4.09Å; I634-L658 HydrophobicContact CD1-CD2 4.05Å
635	L	97.1	Very high	92.4	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-45.7	176.3	178.9	58.4	0	0	0	111	K631 A632 D637 I638 L639 V653 I656	K631-L635 WeakPolarHBondContact O-CB 3.44Å; K631-L635 PolarHBondContact O-N 3.41Å; A632-L635 WeakPolarHBondContact O-CB 3.28Å; A632-L635 PolarHBondContact O-N 3.41Å; L635-D637 PolarHBondContact O-N 3.21Å; L635-I638 HydrophobicContact CD1-CD1 4.14Å; L635-I638 HydrophobicContact CD1-CG1 4.33Å; L635-I638 WeakPolarHBondContact O-CG1 3.28Å; L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CD2 4.43Å; L635-L639 HydrophobicContact CD1-CG 4.02Å; L635-L639 HydrophobicContact CG-CD1 3.87Å; L635-L639 HydrophobicContact CG-CG 4.41Å; L635-L639 WeakPolarHBondContact O-CB 3.36Å; L635-L639 WeakPolarHBondContact O-CD1 3.46Å; L635-L639 WeakPolarHBondContact O-CG 3.45Å; L635-L639 PolarHBondContact O-N 2.78Å; L635-V653 HydrophobicContact CD1-CG2 3.96Å; L635-I656 HydrophobicContact CB-CD1 3.95Å; L635-I656 HydrophobicContact CB-CG1 4.13Å; L635-I656 HydrophobicContact CD1-CG1 4.35Å; L635-I656 HydrophobicContact CD1-CG2 4.1Å
636	E	96.6	Very high	91.4	Very high	129 Å²	129	66.3 Å²	66.3	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-59.8	-46.5	177.1	-175.2	171.9	-167.2	0	0	112	A632 A633 I634 L639 I640	A632-E636 PolarHBondContact O-N 3.18Å; A633-E636 PolarHBondContact O-N 2.88Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.36Å; E636-L639 PolarHBondContact O-N 3.05Å; E636-I640 HydrophobicContact CG-CD1 4.07Å; E636-I640 WeakPolarHBondContact O-CG1 3.46Å; E636-I640 PolarHBondContact O-N 3.34Å
637	D	94.8	Very high	90.7	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-48.4	179.7	-169.9	69.5	0	0	0	112.2	S580 W611 A633 I634 L635 L639 I640 L641	S580-D637 VanDerWaalsContact CB-OD2 3.26Å; S580-D637 WeakPolarHBondContact CB-OD2 3.43Å; S580-D637 PolarHBondContact OG-OD2 3.11Å; W611-D637 HydrophobicContact CZ2-CB 4.38Å; A633-D637 PolarHBondContact O-N 3.34Å; I634-D637 PolarHBondContact O-N 2.84Å; L635-D637 PolarHBondContact O-N 3.21Å; D637-L639 VanDerWaalsContact C-N 3.31Å; D637-L639 PolarHBondContact O-N 3.12Å; D637-I640 PolarHBondContact O-N 3.33Å; D637-L641 WeakPolarHBondContact O-CG 3.32Å; D637-L641 PolarHBondContact O-N 3.1Å
638	I	96.4	Very high	89.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-33.6	178.1	66.7	176	0	0	0	111.9	Y577 V583 I586 I634 L635 L641 G642 V653 I656	Y577-I638 HydrophobicContact CD1-CB 3.72Å; Y577-I638 HydrophobicContact CD1-CG1 4.44Å; Y577-I638 VanDerWaalsContact CD1-O 3.25Å; Y577-I638 WeakPolarHBondContact CD1-O 3.47Å; Y577-I638 HydrophobicContact CD2-CD1 4.25Å; Y577-I638 HydrophobicContact CE1-CB 4.13Å; Y577-I638 HydrophobicContact CE1-CG1 4.48Å; Y577-I638 WeakPolarHBondContact CE1-O 3.47Å; Y577-I638 HydrophobicContact CE2-CD1 4.33Å; Y577-I638 HydrophobicContact CG-CB 3.96Å; Y577-I638 HydrophobicContact CG-CD1 4.42Å; V583-I638 HydrophobicContact CG2-CG2 4.07Å; I586-I638 HydrophobicContact CD1-CD1 4.42Å; I634-I638 HydrophobicContact CG2-CG2 4.48Å; I634-I638 WeakPolarHBondContact O-CG1 3.45Å; I634-I638 PolarHBondContact O-N 3.09Å; L635-I638 HydrophobicContact CD1-CD1 4.14Å; L635-I638 HydrophobicContact CD1-CG1 4.33Å; L635-I638 WeakPolarHBondContact O-CG1 3.28Å; I638-L641 PolarHBondContact O-N 2.78Å; I638-G642 PolarHBondContact O-N 3.32Å; I638-V653 HydrophobicContact CD1-CG2 3.84Å; I638-I656 HydrophobicContact CD1-CD1 4.44Å; I638-I656 HydrophobicContact CD1-CG2 3.97Å
639	L	96.4	Very high	89.4	Confident	43 Å²	43	57 Å²	57	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-36.9	177	-68.1	172.9	0	0	0	112	L635 E636 D637 G642 K643 Q652 V653	L635-L639 HydrophobicContact CD1-CD1 3.89Å; L635-L639 HydrophobicContact CD1-CD2 4.43Å; L635-L639 HydrophobicContact CD1-CG 4.02Å; L635-L639 HydrophobicContact CG-CD1 3.87Å; L635-L639 HydrophobicContact CG-CG 4.41Å; L635-L639 WeakPolarHBondContact O-CB 3.36Å; L635-L639 WeakPolarHBondContact O-CD1 3.46Å; L635-L639 WeakPolarHBondContact O-CG 3.45Å; L635-L639 PolarHBondContact O-N 2.78Å; E636-L639 PolarHBondContact O-N 3.05Å; D637-L639 VanDerWaalsContact C-N 3.31Å; D637-L639 PolarHBondContact O-N 3.12Å; L639-G642 PolarHBondContact O-N 3.28Å; L639-K643 WeakPolarHBondContact O-CG 3.29Å; L639-K643 PolarHBondContact O-N 2.88Å; L639-Q652 HydrophobicContact CD2-CB 3.74Å; L639-Q652 HydrophobicContact CD2-CG 4.27Å; L639-Q652 PolarHBondContact O-OE1 3.35Å; L639-V653 WeakPolarHBondContact CD2-O 3.41Å
640	I	94.5	Very high	88.6	Confident	78 Å²	78	54.5 Å²	54.5	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-52.3	171.9	-69.2	165.5	0	0	0	109.6	E636 D637 G642 K643 E644	E636-I640 HydrophobicContact CG-CD1 4.07Å; E636-I640 WeakPolarHBondContact O-CG1 3.46Å; E636-I640 PolarHBondContact O-N 3.34Å; D637-I640 PolarHBondContact O-N 3.33Å; I640-G642 PolarHBondContact O-N 2.87Å; I640-K643 PolarHBondContact O-N 3.38Å; I640-K643 VanDerWaalsContact O-N 3.11Å; I640-E644 WeakPolarHBondContact O-CG 3.23Å; I640-E644 PolarHBondContact O-N 3.34Å
641	L	89.4	Confident	88.1	Confident	33 Å²	33	55.2 Å²	55.2	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-36	176.2	-71.3	170	0	0	0	112.4	I576 R579 D637 I638 G645	I576-L641 HydrophobicContact CG2-CB 4.49Å; I576-L641 WeakPolarHBondContact CG2-O 2.8Å; R579-L641 HydrophobicContact CB-CD1 4.25Å; D637-L641 WeakPolarHBondContact O-CG 3.32Å; D637-L641 PolarHBondContact O-N 3.1Å; I638-L641 PolarHBondContact O-N 2.78Å; L641-G645 WeakPolarHBondContact O-CA 3.35Å; L641-G645 PolarHBondContact O-N 2.82Å
642	G	86.9	Confident	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-50	173.9	0	0	0	0	0	112.3	I638 L639 I640 G645 G646 L647	I638-G642 PolarHBondContact O-N 3.32Å; L639-G642 PolarHBondContact O-N 3.28Å; I640-G642 PolarHBondContact O-N 2.87Å; G642-G645 CarbonylContact O-C 3.25Å; G642-G645 PolarHBondContact O-N 2.8Å; G642-G646 PolarHBondContact O-N 3.28Å; G642-L647 VanDerWaalsContact O-CB 3.26Å; G642-L647 WeakPolarHBondContact O-CB 3.4Å; G642-L647 WeakPolarHBondContact O-CG 3.5Å; G642-L647 PolarHBondContact O-N 2.8Å
643	K	88.2	Confident	87.8	Confident	148 Å²	148	51.6 Å²	51.6	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-62.5	-46.6	177.4	-69.2	176	-174.7	171.1	0	111.6	L639 I640 G645 G646 Q652	L639-K643 WeakPolarHBondContact O-CG 3.29Å; L639-K643 PolarHBondContact O-N 2.88Å; I640-K643 PolarHBondContact O-N 3.38Å; I640-K643 VanDerWaalsContact O-N 3.11Å; K643-G645 VanDerWaalsContact C-N 3.27Å; K643-G645 PolarHBondContact O-N 3.42Å; K643-G646 PolarHBondContact O-N 2.77Å; K643-Q652 VanDerWaalsContact CG-NE2 3.28Å
644	E	82.3	Confident	87.8	Confident	151 Å²	151	59 Å²	59	71%	0.706	30%	0.304	S	S	*	.	H	α-helix	trans	-63.4	-34.3	177.3	-68.3	-178.9	168.9	0	0	112.3	I640 G646	I640-E644 WeakPolarHBondContact O-CG 3.23Å; I640-E644 PolarHBondContact O-N 3.34Å; E644-G646 PolarHBondContact O-N 3.29Å
645	G	73.3	Confident	87.7	Confident	31 Å²	31	60.1 Å²	60.1	32%	0.32	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.1	174.2	0	0	0	0	0	114.7	L641 G642 K643	L641-G645 WeakPolarHBondContact O-CA 3.35Å; L641-G645 PolarHBondContact O-N 2.82Å; G642-G645 CarbonylContact O-C 3.25Å; G642-G645 PolarHBondContact O-N 2.8Å; K643-G645 VanDerWaalsContact C-N 3.27Å; K643-G645 PolarHBondContact O-N 3.42Å
646	G	71.6	Confident	87.7	Confident	52 Å²	52	58.9 Å²	58.9	54%	0.536	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	22.5	178.2	0	0	0	0	0	114.7	G642 K643 E644	G642-G646 PolarHBondContact O-N 3.28Å; K643-G646 PolarHBondContact O-N 2.77Å; E644-G646 PolarHBondContact O-N 3.29Å
647	L	77.5	Confident	87.7	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	28%	0.283	C	S	.	.			trans	-70.6	129.5	172.1	-64.9	-174.9	0	0	0	110.7	K572 I573 I576 Y577 G642 E651 Q652	K572-L647 HydrophobicContact CD-CD2 4.38Å; K572-L647 HydrophobicContact CG-CD2 4.44Å; I573-L647 HydrophobicContact CB-CD1 4.33Å; I573-L647 HydrophobicContact CG1-CD1 4.2Å; I573-L647 HydrophobicContact CG1-CD2 3.99Å; I573-L647 HydrophobicContact CG2-CD1 3.92Å; I576-L647 HydrophobicContact CD1-CD1 4.27Å; I576-L647 HydrophobicContact CD1-CD2 3.63Å; I576-L647 HydrophobicContact CD1-CG 3.78Å; I576-L647 HydrophobicContact CG2-CD1 4.49Å; Y577-L647 HydrophobicContact CE1-CD1 3.79Å; G642-L647 VanDerWaalsContact O-CB 3.26Å; G642-L647 WeakPolarHBondContact O-CB 3.4Å; G642-L647 WeakPolarHBondContact O-CG 3.5Å; G642-L647 PolarHBondContact O-N 2.8Å; L647-E651 WeakPolarHBondContact CA-OE2 3.21Å; L647-E651 HydrophobicContact CB-CB 4.17Å; L647-E651 HydrophobicContact CD2-CB 4.17Å; L647-Q652 HydrophobicContact CB-CG 4.1Å
648	K	77.7	Confident	87.8	Confident	122 Å²	122	52.9 Å²	52.9	53%	0.53	28%	0.278	S	S	.	.			trans	-67.7	160.6	172.9	-62.2	176.3	-179.9	178.3	0	110.3	F650 E651 Q652	K648-F650 HydrophobicContact CB-CD1 3.95Å; K648-F650 HydrophobicContact CB-CE1 3.74Å; K648-F650 HydrophobicContact CB-CE2 4.41Å; K648-F650 HydrophobicContact CB-CG 4.41Å; K648-F650 HydrophobicContact CB-CZ 4.02Å; K648-F650 HydrophobicContact CD-CD1 4.37Å; K648-F650 HydrophobicContact CD-CE1 3.36Å; K648-F650 HydrophobicContact CD-CE2 4.18Å; K648-F650 HydrophobicContact CD-CZ 3.26Å; K648-F650 HydrophobicContact CG-CE1 4.2Å; K648-F650 HydrophobicContact CG-CZ 4.28Å; K648-F650 PolarHBondContact O-N 3.42Å; K648-E651 HydrophobicContact CB-CG 4.21Å; K648-E651 PolarHBondContact N-OE2 3.11Å; K648-E651 WeakPolarHBondContact O-CB 3.4Å; K648-E651 PolarHBondContact O-N 2.62Å; K648-Q652 PolarHBondContact O-N 3.15Å
649	S	81.3	Confident	87.8	Confident	107 Å²	107	54.4 Å²	54.4	75%	0.748	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.7	-38.9	-179.3	50.5	0	0	0	0	113.3	E651 Q652	S649-E651 VanDerWaalsContact C-N 3.33Å; S649-Q652 PolarHBondContact O-N 3.21Å
650	F	77.8	Confident	87.6	Confident	50 Å²	50	55 Å²	55	22%	0.219	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-77	-16.4	177.9	63.3	-105.8	0	0	0	114	E566 I568 K648 Q652	E566-F650 HydrophobicContact CB-CD2 4.04Å; E566-F650 HydrophobicContact CB-CE2 3.98Å; E566-F650 HydrophobicContact CB-CG 4.48Å; E566-F650 HydrophobicContact CB-CZ 4.36Å; E566-F650 HydrophobicContact CG-CD1 4.28Å; E566-F650 HydrophobicContact CG-CD2 4.27Å; E566-F650 HydrophobicContact CG-CE1 4.19Å; E566-F650 HydrophobicContact CG-CE2 4.2Å; E566-F650 HydrophobicContact CG-CG 4.28Å; E566-F650 HydrophobicContact CG-CZ 4.13Å; E566-F650 WeakPolarHBondContact OE2-CZ 3.47Å; I568-F650 HydrophobicContact CD1-CD2 3.59Å; I568-F650 HydrophobicContact CD1-CE2 3.99Å; K648-F650 HydrophobicContact CB-CD1 3.95Å; K648-F650 HydrophobicContact CB-CE1 3.74Å; K648-F650 HydrophobicContact CB-CE2 4.41Å; K648-F650 HydrophobicContact CB-CG 4.41Å; K648-F650 HydrophobicContact CB-CZ 4.02Å; K648-F650 HydrophobicContact CD-CD1 4.37Å; K648-F650 HydrophobicContact CD-CE1 3.36Å; K648-F650 HydrophobicContact CD-CE2 4.18Å; K648-F650 HydrophobicContact CD-CZ 3.26Å; K648-F650 HydrophobicContact CG-CE1 4.2Å; K648-F650 HydrophobicContact CG-CZ 4.28Å; K648-F650 PolarHBondContact O-N 3.42Å; F650-Q652 VanDerWaalsContact C-N 3.29Å
651	E	83.3	Confident	87.5	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.065	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-84.8	-5.1	173.2	-64.6	-178.8	114.9	0	0	111.8	I568 K572 I573 L597 L647 K648 S649	I568-E651 HydrophobicContact CD1-CG 4.3Å; K572-E651 IonicContact NZ-OE1 2.67Å; K572-E651 PolarHBondContact NZ-OE1 3.42Å; K572-E651 IonicContact NZ-OE2 3.19Å; K572-E651 PolarHBondContact NZ-OE2 3.3Å; K572-E651 VanDerWaalsContact NZ-OE2 3.17Å; I573-E651 HydrophobicContact CD1-CB 4.04Å; I573-E651 WeakPolarHBondContact CD1-O 3.38Å; I573-E651 HydrophobicContact CG1-CB 4.25Å; I573-E651 WeakPolarHBondContact CG1-O 3.12Å; L597-E651 WeakPolarHBondContact CD1-O 3.22Å; L647-E651 WeakPolarHBondContact CA-OE2 3.21Å; L647-E651 HydrophobicContact CB-CB 4.17Å; L647-E651 HydrophobicContact CD2-CB 4.17Å; K648-E651 HydrophobicContact CB-CG 4.21Å; K648-E651 PolarHBondContact N-OE2 3.11Å; K648-E651 WeakPolarHBondContact O-CB 3.4Å; K648-E651 PolarHBondContact O-N 2.62Å; S649-E651 VanDerWaalsContact C-N 3.33Å
652	Q	91.9	Very high	87.6	Confident	25 Å²	25	57.6 Å²	57.6	12%	0.117	30%	0.302	C	S	.	.	S	Bend	trans	-92.4	137.3	-179.6	-66.6	-165.4	43.8	0	0	112.1	Y577 L639 K643 L647 K648 S649 F650 R654	Y577-Q652 VanDerWaalsContact OH-CA 3.31Å; Y577-Q652 WeakPolarHBondContact OH-CA 3.29Å; L639-Q652 HydrophobicContact CD2-CB 3.74Å; L639-Q652 HydrophobicContact CD2-CG 4.27Å; L639-Q652 PolarHBondContact O-OE1 3.35Å; K643-Q652 VanDerWaalsContact CG-NE2 3.28Å; L647-Q652 HydrophobicContact CB-CG 4.1Å; K648-Q652 PolarHBondContact O-N 3.15Å; S649-Q652 PolarHBondContact O-N 3.21Å; F650-Q652 VanDerWaalsContact C-N 3.29Å; Q652-R654 PolarHBondContact O-N 3.32Å
653	V	95.2	Very high	87.9	Confident	3 Å²	3	58 Å²	58	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.3	174.3	-67.6	0	0	0	0	110.2	Y577 V588 L597 L635 I638 L639 I656	Y577-V653 HydrophobicContact CE2-CB 4.34Å; Y577-V653 HydrophobicContact CE2-CG1 3.93Å; Y577-V653 HydrophobicContact CE2-CG2 3.65Å; Y577-V653 PolarHBondContact OH-N 3.48Å; V588-V653 HydrophobicContact CG1-CG1 4.12Å; V588-V653 HydrophobicContact CG2-CG1 4.12Å; L597-V653 HydrophobicContact CB-CG1 3.97Å; L597-V653 CarbonylContact O-C 3.53Å; L597-V653 WeakPolarHBondContact O-CA 3.22Å; L635-V653 HydrophobicContact CD1-CG2 3.96Å; I638-V653 HydrophobicContact CD1-CG2 3.84Å; L639-V653 WeakPolarHBondContact CD2-O 3.41Å; V653-I656 HydrophobicContact CB-CG2 4.47Å; V653-I656 HydrophobicContact CG2-CG2 3.85Å
654	R	94.6	Very high	87.7	Confident	172 Å²	172	52.3 Å²	52.3	65%	0.649	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	-32.1	179.2	-170.6	61.2	167	-178.4	-1.1	111.9	C596 L597 Q652 I696	C596-R654 HydrophobicContact CB-CB 3.95Å; C596-R654 HydrophobicContact CB-CG 4.49Å; L597-R654 PolarHBondContact O-N 3Å; Q652-R654 PolarHBondContact O-N 3.32Å; R654-I696 HydrophobicContact CB-CD1 3.78Å; R654-I696 HydrophobicContact CB-CG1 4.35Å; R654-I696 HydrophobicContact CG-CD1 3.87Å; R654-I696 HydrophobicContact CG-CG1 3.88Å; R654-I696 HydrophobicContact CG-CG2 3.88Å
655	D	95.6	Very high	87.1	Confident	24 Å²	24	46 Å²	46	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.8	174.7	-161.2	12	0	0	0	110.9	V598 G599 K631 L692 I696	V598-D655 WeakPolarHBondContact CA-O 3.45Å; G599-D655 PolarHBondContact N-O 3.3Å; K631-D655 WeakPolarHBondContact CE-OD1 3.39Å; K631-D655 IonicContact NZ-OD1 2.72Å; K631-D655 PolarHBondContact NZ-OD1 3.31Å; K631-D655 IonicContact NZ-OD2 2.81Å; K631-D655 PolarHBondContact NZ-OD2 3.31Å; D655-L692 HydrophobicContact CB-CD2 4Å; D655-L692 VanDerWaalsContact OD2-CD2 3.32Å; D655-L692 WeakPolarHBondContact OD2-CD2 3.42Å; D655-I696 HydrophobicContact CB-CD1 4.24Å; D655-I696 HydrophobicContact CB-CG1 4.37Å
656	I	97.1	Very high	87.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.8	178.9	59.2	170.4	0	0	0	112.7	G599 V601 K631 I634 L635 I638 V653 L658 L692	G599-I656 CarbonylContact O-C 3.46Å; G599-I656 WeakPolarHBondContact O-CA 3.41Å; V601-I656 HydrophobicContact CG2-CB 4.24Å; V601-I656 HydrophobicContact CG2-CD1 4.03Å; V601-I656 HydrophobicContact CG2-CG2 4.16Å; K631-I656 WeakPolarHBondContact CD-O 3.17Å; K631-I656 WeakPolarHBondContact CE-O 3.48Å; K631-I656 HydrophobicContact CG-CD1 4.3Å; K631-I656 HydrophobicContact CG-CG1 3.94Å; K631-I656 PolarHBondContact NZ-O 3.11Å; I634-I656 HydrophobicContact CB-CD1 4.32Å; I634-I656 HydrophobicContact CG2-CD1 3.92Å; L635-I656 HydrophobicContact CB-CD1 3.95Å; L635-I656 HydrophobicContact CB-CG1 4.13Å; L635-I656 HydrophobicContact CD1-CG1 4.35Å; L635-I656 HydrophobicContact CD1-CG2 4.1Å; I638-I656 HydrophobicContact CD1-CD1 4.44Å; I638-I656 HydrophobicContact CD1-CG2 3.97Å; V653-I656 HydrophobicContact CB-CG2 4.47Å; V653-I656 HydrophobicContact CG2-CG2 3.85Å; I656-L658 HydrophobicContact CD1-CD2 4.12Å; I656-L692 WeakPolarHBondContact O-CD2 3.29Å
657	A	96.9	Very high	87.7	Confident	21 Å²	21	52.3 Å²	52.3	17%	0.174	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	163	0	0	0	0	0	109.9	G599 I600 V601 L692	G599-A657 PolarHBondContact O-N 3.01Å; I600-A657 HydrophobicContact CD1-CB 3.87Å; V601-A657 PolarHBondContact N-O 3.42Å; A657-L692 HydrophobicContact CB-CD1 4.01Å; A657-L692 HydrophobicContact CB-CD2 4.37Å; A657-L692 HydrophobicContact CB-CG 4.48Å
658	L	96.6	Very high	87.7	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.6	173.6	-56.7	-173.1	0	0	0	109.4	V601 P603 C625 V630 K631 I634 I656	V601-L658 HydrophobicContact CB-CD2 3.87Å; V601-L658 HydrophobicContact CG1-CD2 3.92Å; V601-L658 CarbonylContact O-C 3.53Å; V601-L658 WeakPolarHBondContact O-CA 3.43Å; P603-L658 HydrophobicContact CG-CB 4.41Å; P603-L658 HydrophobicContact CG-CD2 4.3Å; C625-L658 WeakPolarHBondContact O-CB 3.44Å; V630-L658 HydrophobicContact CG1-CD1 4.45Å; K631-L658 HydrophobicContact CB-CD1 4.02Å; K631-L658 HydrophobicContact CB-CG 4.17Å; K631-L658 HydrophobicContact CG-CG 4.33Å; I634-L658 HydrophobicContact CD1-CD1 4.09Å; I634-L658 HydrophobicContact CD1-CD2 4.05Å; I656-L658 HydrophobicContact CD1-CD2 4.12Å
659	H	95.6	Very high	87.9	Confident	32 Å²	32	47.6 Å²	47.6	15%	0.148	25%	0.25	C	C	.	.			trans	-125.4	125.3	179.3	-175.1	64.7	0	0	0	110	I600 V601 V602 P603 E661 F685	I600-H659 HydrophobicContact CG2-CB 3.87Å; V601-H659 PolarHBondContact O-N 2.91Å; V602-H659 WeakPolarHBondContact CA-O 3.29Å; P603-H659 VanDerWaalsContact CD-O 3.26Å; P603-H659 WeakPolarHBondContact CD-O 3.31Å; H659-E661 PolarHBondContact CD2-O 3.33Å; H659-E661 WeakPolarHBondContact NE2-CB 3.47Å; H659-F685 HydrophobicContact CB-CE1 4.36Å; H659-F685 AromaticContact CD2-CE1 3.77Å; H659-F685 AromaticContact CD2-CZ 3.58Å; H659-F685 AromaticContact CE1-CE1 3.77Å; H659-F685 AromaticContact CG-CE1 3.7Å; H659-F685 AromaticContact CG-CZ 3.95Å; H659-F685 AromaticContact ND1-CE1 3.71Å; H659-F685 AromaticContact NE2-CE1 3.8Å; H659-F685 AromaticContact NE2-CZ 3.71Å
660	P	92.8	Very high	87.5	Confident	56 Å²	56	42.8 Å²	42.8	36%	0.364	22%	0.216	S	C	.	.			trans	-79.1	-18.8	-170.9	30.1	-35.6	0	0	0	114.3	Y621 L622	Y621-P660 HydrophobicContact CE1-CB 3.85Å; Y621-P660 PolarHBondContact OH-O 2.92Å; L622-P660 HydrophobicContact CD2-CB 3.78Å; L622-P660 HydrophobicContact CD2-CG 4.24Å
661	E	92.3	Very high	87	Confident	103 Å²	103	41.1 Å²	41.1	48%	0.481	21%	0.21	S	C	.	.	S	Bend	trans	-93.4	136.8	-176.8	-165.3	-171.2	146.9	0	0	111.5	V602 H659 N667	V602-E661 WeakPolarHBondContact CG2-O 3.33Å; H659-E661 PolarHBondContact CD2-O 3.33Å; H659-E661 WeakPolarHBondContact NE2-CB 3.47Å; E661-N667 PolarHBondContact OE1-ND2 3.16Å
662	M	91.4	Very high	85.5	Confident	62 Å²	62	41.2 Å²	41.2	31%	0.305	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-71.6	138.5	176.9	-71.3	-76.7	-70.8	0	0	111.8	A584 Q585 V602 S664 N667	A584-M662 HydrophobicContact CB-CE 4.35Å; A584-M662 HydrophobicContact CB-SD 3.81Å; Q585-M662 HydrophobicContact CG-CE 3.88Å; Q585-M662 HydrophobicContact CG-SD 4.15Å; Q585-M662 PolarHBondContact OE1-SD 3.42Å; V602-M662 HydrophobicContact CG1-CG 4.25Å; V602-M662 HydrophobicContact CG1-SD 3.67Å; M662-S664 PolarHBondContact O-N 2.97Å; M662-N667 PolarHBondContact O-ND2 2.91Å
663	F	92.3	Very high	83.7	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.039	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-64.8	126.3	165	-45.3	-29.9	0	0	0	108.2	Q585 F587 I600 V602 L669 L670 L681 F685	Q585-F663 HydrophobicContact CB-CD2 4.01Å; Q585-F663 HydrophobicContact CB-CE2 4.1Å; Q585-F663 PolarHBondContact NE2-O 3.03Å; Q585-F663 VanDerWaalsContact NE2-O 3.08Å; F587-F663 HydrophobicContact CB-CE2 3.93Å; F587-F663 HydrophobicContact CB-CZ 4.13Å; I600-F663 HydrophobicContact CG2-CZ 4.26Å; V602-F663 HydrophobicContact CG2-CD1 4.02Å; V602-F663 HydrophobicContact CG2-CE1 3.5Å; V602-F663 HydrophobicContact CG2-CE2 4.15Å; V602-F663 HydrophobicContact CG2-CZ 3.59Å; F663-L669 HydrophobicContact CB-CB 4.08Å; F663-L669 HydrophobicContact CB-CD1 4.47Å; F663-L669 HydrophobicContact CD1-CD1 3.78Å; F663-L669 HydrophobicContact CG-CD1 4.45Å; F663-L670 HydrophobicContact CB-CD1 4.39Å; F663-L670 HydrophobicContact CB-CD2 3.84Å; F663-L670 HydrophobicContact CB-CG 3.91Å; F663-L670 WeakPolarHBondContact O-CD1 3.37Å; F663-L681 HydrophobicContact CD1-CD2 3.92Å; F663-L681 HydrophobicContact CD2-CD2 4.08Å; F663-L681 HydrophobicContact CE1-CD2 3.98Å; F663-L681 HydrophobicContact CE2-CD2 4.12Å; F663-L681 HydrophobicContact CG-CD2 3.99Å; F663-L681 HydrophobicContact CZ-CD2 4.07Å; F663-F685 HydrophobicContact CD1-CE2 4.19Å; F663-F685 HydrophobicContact CD1-CZ 4.33Å; F663-F685 AromaticContact CE1-CE2 3.45Å; F663-F685 HydrophobicContact CE1-CE2 3.45Å; F663-F685 VanDerWaalsContact CE1-CE2 3.45Å; F663-F685 AromaticContact CE1-CZ 3.58Å; F663-F685 HydrophobicContact CE1-CZ 3.58Å; F663-F685 HydrophobicContact CZ-CE2 4.01Å; F663-F685 HydrophobicContact CZ-CZ 4.41Å
664	S	84	Confident	82.2	Confident	27 Å²	27	46.2 Å²	46.2	19%	0.189	24%	0.241	C	C	.	.			trans	-136.2	171.4	-175.7	72.1	0	0	0	0	110.9	M662 Q666 N667 L669 L670	M662-S664 PolarHBondContact O-N 2.97Å; S664-Q666 VanDerWaalsContact C-N 3.33Å; S664-Q666 PolarHBondContact OG-N 3.31Å; S664-N667 WeakPolarHBondContact CA-OD1 3.06Å; S664-N667 PolarHBondContact N-OD1 3.47Å; S664-N667 PolarHBondContact O-OD1 3.47Å; S664-N667 PolarHBondContact OG-N 2.89Å; S664-N667 PolarHBondContact OG-ND2 3.46Å; S664-N667 PolarHBondContact OG-OD1 2.85Å; S664-L669 PolarHBondContact O-N 3.07Å; S664-L670 PolarHBondContact O-N 3.48Å
665	V	70.8	Confident	80.9	Confident	20 Å²	20	41.1 Å²	41.1	12%	0.121	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.3	172.2	-168.5	0	0	0	0	109.9	T181 G668 L670 T671 L674	T181-V665 HydrophobicContact CG2-CG1 4.35Å; T181-V665 WeakPolarHBondContact O-CG1 3.32Å; V665-G668 WeakPolarHBondContact O-CA 3.49Å; V665-G668 PolarHBondContact O-N 3.47Å; V665-L670 HydrophobicContact CG2-CB 4.13Å; V665-T671 VanDerWaalsContact CG2-O 3.26Å; V665-T671 WeakPolarHBondContact CG2-O 3.33Å; V665-L674 HydrophobicContact CG2-CD2 3.95Å
666	Q	73.5	Confident	80	Confident	167 Å²	167	41.4 Å²	41.4	78%	0.78	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-43.6	179.5	-67	78.8	3.8	0	0	112.5	S664 G668	S664-Q666 VanDerWaalsContact C-N 3.33Å; S664-Q666 PolarHBondContact OG-N 3.31Å; Q666-G668 PolarHBondContact O-N 3.04Å
667	N	82.8	Confident	78.9	Confident	48 Å²	48	44.7 Å²	44.7	26%	0.257	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	10.1	173.5	64.7	18.7	0	0	0	113.2	E661 M662 S664 L669	E661-N667 PolarHBondContact OE1-ND2 3.16Å; M662-N667 PolarHBondContact O-ND2 2.91Å; S664-N667 WeakPolarHBondContact CA-OD1 3.06Å; S664-N667 PolarHBondContact N-OD1 3.47Å; S664-N667 PolarHBondContact O-OD1 3.47Å; S664-N667 PolarHBondContact OG-N 2.89Å; S664-N667 PolarHBondContact OG-ND2 3.46Å; S664-N667 PolarHBondContact OG-OD1 2.85Å; N667-L669 PolarHBondContact O-N 3.48Å; N667-L669 VanDerWaalsContact O-N 3.15Å; N667-L669 WeakPolarHBondContact OD1-CB 3.44Å; N667-L669 WeakPolarHBondContact OD1-CG 3.38Å; N667-L669 PolarHBondContact OD1-N 3.04Å
668	G	77.9	Confident	78.3	Confident	26 Å²	26	45 Å²	45	27%	0.268	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	1.2	172.7	0	0	0	0	0	115.3	V665 Q666 K677	V665-G668 WeakPolarHBondContact O-CA 3.49Å; V665-G668 PolarHBondContact O-N 3.47Å; Q666-G668 PolarHBondContact O-N 3.04Å; G668-K677 WeakPolarHBondContact O-CD 3.42Å; G668-K677 PolarHBondContact O-NZ 2.82Å
669	L	82.9	Confident	77.3	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-84.3	-20.1	-175.5	-60.5	-179.2	0	0	0	113.8	F663 S664 N667 K677 E680 L681 H684 F685	F663-L669 HydrophobicContact CB-CB 4.08Å; F663-L669 HydrophobicContact CB-CD1 4.47Å; F663-L669 HydrophobicContact CD1-CD1 3.78Å; F663-L669 HydrophobicContact CG-CD1 4.45Å; S664-L669 PolarHBondContact O-N 3.07Å; N667-L669 PolarHBondContact O-N 3.48Å; N667-L669 VanDerWaalsContact O-N 3.15Å; N667-L669 WeakPolarHBondContact OD1-CB 3.44Å; N667-L669 WeakPolarHBondContact OD1-CG 3.38Å; N667-L669 PolarHBondContact OD1-N 3.04Å; L669-K677 WeakPolarHBondContact O-CB 3.46Å; L669-K677 PolarHBondContact O-N 2.79Å; L669-E680 HydrophobicContact CD2-CB 4.48Å; L669-L681 HydrophobicContact CB-CD2 3.96Å; L669-L681 HydrophobicContact CB-CG 4.39Å; L669-L681 HydrophobicContact CD1-CD2 4.06Å; L669-L681 HydrophobicContact CD2-CD2 4.08Å; L669-L681 HydrophobicContact CD2-CG 4.41Å; L669-L681 HydrophobicContact CG-CD2 4.26Å; L669-H684 HydrophobicContact CD2-CB 3.9Å; L669-F685 HydrophobicContact CD1-CE2 4.33Å
670	L	73.3	Confident	76.6	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-112.1	153.9	173.2	-58.9	-174.6	0	0	0	112.3	F663 S664 V665 L674 K675 A676 K677	F663-L670 HydrophobicContact CB-CD1 4.39Å; F663-L670 HydrophobicContact CB-CD2 3.84Å; F663-L670 HydrophobicContact CB-CG 3.91Å; F663-L670 WeakPolarHBondContact O-CD1 3.37Å; S664-L670 PolarHBondContact O-N 3.48Å; V665-L670 HydrophobicContact CG2-CB 4.13Å; L670-L674 HydrophobicContact CD1-CB 4.5Å; L670-L674 HydrophobicContact CD1-CD2 4.31Å; L670-K675 CarbonylContact C-O 3.11Å; L670-K675 VanDerWaalsContact CA-O 3.24Å; L670-K675 WeakPolarHBondContact CA-O 3.27Å; L670-A676 HydrophobicContact CD2-CB 4.48Å; L670-K677 VanDerWaalsContact O-CE 3.25Å; L670-K677 WeakPolarHBondContact O-CE 3.41Å
671	T	66.6	Low	76.4	Confident	15 Å²	15	48.1 Å²	48.1	9%	0.092	25%	0.251	C	S	.	.			trans	-73.1	162.6	165.6	70.8	0	0	0	0	110.7	V665 T673 L674 K675 K677	V665-T671 VanDerWaalsContact CG2-O 3.26Å; V665-T671 WeakPolarHBondContact CG2-O 3.33Å; T671-T673 PolarHBondContact O-N 3.34Å; T671-T673 PolarHBondContact OG1-N 3.23Å; T671-T673 PolarHBondContact OG1-OG1 3.45Å; T671-L674 WeakPolarHBondContact O-CA 3.35Å; T671-L674 PolarHBondContact O-N 2.7Å; T671-K675 HydrophobicContact CG2-CB 4.22Å; T671-K675 PolarHBondContact N-O 3.37Å; T671-K675 WeakPolarHBondContact OG1-CB 3.3Å; T671-K675 PolarHBondContact OG1-N 3.38Å; T671-K675 VanDerWaalsContact OG1-N 3.09Å; T671-K677 HydrophobicContact CG2-CG 3.76Å
672	P	50.9	Low	76.1	Confident	16 Å²	16	47.7 Å²	47.7	10%	0.104	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-32.6	168.6	-36.6	41.1	0	0	0	115.3	Y179 T181 L182 L674	Y179-P672 HydrophobicContact CD1-CB 3.64Å; Y179-P672 HydrophobicContact CD1-CG 4.31Å; Y179-P672 HydrophobicContact CE1-CB 4.02Å; Y179-P672 HydrophobicContact CG-CB 4.2Å; Y179-P672 HydrophobicContact CG-CG 4.39Å; T181-P672 WeakPolarHBondContact OG1-CA 3.21Å; T181-P672 WeakPolarHBondContact OG1-CB 3.17Å; T181-P672 VanDerWaalsContact OG1-CG 3.31Å; T181-P672 WeakPolarHBondContact OG1-CG 3.35Å; L182-P672 HydrophobicContact CD2-CG 4.02Å; L182-P672 HydrophobicContact CG-CG 4.39Å; P672-L674 PolarHBondContact O-N 2.89Å
673	T	55.5	Low	75.8	Confident	53 Å²	53	48.8 Å²	48.8	33%	0.325	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	17.9	177.7	64.8	0	0	0	0	113	T671 K675	T671-T673 PolarHBondContact O-N 3.34Å; T671-T673 PolarHBondContact OG1-N 3.23Å; T671-T673 PolarHBondContact OG1-OG1 3.45Å; T673-K675 VanDerWaalsContact C-N 3.28Å; T673-K675 PolarHBondContact O-N 3.21Å
674	L	63.3	Low	75.8	Confident	81 Å²	81	53.1 Å²	53.1	42%	0.424	28%	0.279	S	S	.	.	S	Bend	trans	61.4	27.8	178.5	-51.8	172.8	0	0	0	114.5	V665 L670 T671 P672	V665-L674 HydrophobicContact CG2-CD2 3.95Å; L670-L674 HydrophobicContact CD1-CB 4.5Å; L670-L674 HydrophobicContact CD1-CD2 4.31Å; T671-L674 WeakPolarHBondContact O-CA 3.35Å; T671-L674 PolarHBondContact O-N 2.7Å; P672-L674 PolarHBondContact O-N 2.89Å
675	K	67.2	Low	76.3	Confident	65 Å²	65	51.9 Å²	51.9	28%	0.283	27%	0.27	S	S	.	.			trans	-92.6	145	174.4	-61.9	-178	177.2	-173.6	0	110.7	A435 L670 T671 T673 K677	A435-K675 WeakPolarHBondContact O-CE 3.43Å; A435-K675 PolarHBondContact O-NZ 3.18Å; L670-K675 CarbonylContact C-O 3.11Å; L670-K675 VanDerWaalsContact CA-O 3.24Å; L670-K675 WeakPolarHBondContact CA-O 3.27Å; T671-K675 HydrophobicContact CG2-CB 4.22Å; T671-K675 PolarHBondContact N-O 3.37Å; T671-K675 WeakPolarHBondContact OG1-CB 3.3Å; T671-K675 PolarHBondContact OG1-N 3.38Å; T671-K675 VanDerWaalsContact OG1-N 3.09Å; T673-K675 VanDerWaalsContact C-N 3.28Å; T673-K675 PolarHBondContact O-N 3.21Å; K675-K677 PolarHBondContact O-N 2.84Å
676	A	76.1	Confident	77.3	Confident	30 Å²	30	55.3 Å²	55.3	25%	0.248	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-62.7	124.6	177	0	0	0	0	0	112.2	L670 R678 L681	L670-A676 HydrophobicContact CD2-CB 4.48Å; A676-R678 PolarHBondContact O-N 2.94Å; A676-R678 VanDerWaalsContact O-N 3.17Å; A676-L681 HydrophobicContact CB-CD1 3.55Å
677	K	73.8	Confident	78.2	Confident	68 Å²	68	54.5 Å²	54.5	30%	0.296	28%	0.277	S	S	.	.			trans	-83	85	168.7	-71.9	169.9	172.5	-178.4	0	108.7	G668 L669 L670 T671 K675 N679 E680 L681	G668-K677 WeakPolarHBondContact O-CD 3.42Å; G668-K677 PolarHBondContact O-NZ 2.82Å; L669-K677 WeakPolarHBondContact O-CB 3.46Å; L669-K677 PolarHBondContact O-N 2.79Å; L670-K677 VanDerWaalsContact O-CE 3.25Å; L670-K677 WeakPolarHBondContact O-CE 3.41Å; T671-K677 HydrophobicContact CG2-CG 3.76Å; K675-K677 PolarHBondContact O-N 2.84Å; K677-N679 VanDerWaalsContact C-N 3.26Å; K677-N679 PolarHBondContact O-N 2.9Å; K677-N679 VanDerWaalsContact O-N 3.15Å; K677-E680 HydrophobicContact CB-CB 4Å; K677-E680 HydrophobicContact CB-CG 3.94Å; K677-E680 HydrophobicContact CD-CG 4.18Å; K677-E680 PolarHBondContact O-N 3.22Å; K677-L681 PolarHBondContact O-N 3.45Å
678	R	84.1	Confident	78.8	Confident	27 Å²	27	55.4 Å²	55.4	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-35.4	-169	-53	-168.6	84.1	80.4	16.6	114.3	E574 F587 V588 A676 R682	E574-R678 IonicContact OE1-CZ 2.6Å; E574-R678 IonicContact OE1-NH1 3.67Å; E574-R678 PolarHBondContact OE1-NH1 3.47Å; E574-R678 IonicContact OE1-NH2 3.24Å; E574-R678 PolarHBondContact OE1-NH2 2.86Å; E574-R678 IonicContact OE2-CZ 2.89Å; E574-R678 IonicContact OE2-NH1 2.72Å; E574-R678 PolarHBondContact OE2-NH1 2.63Å; E574-R678 IonicContact OE2-NH2 3.95Å; F587-R678 HydrophobicContact CE2-CB 4.1Å; F587-R678 HydrophobicContact CE2-CG 4.34Å; V588-R678 PolarHBondContact O-NH2 2.91Å; A676-R678 PolarHBondContact O-N 2.94Å; A676-R678 VanDerWaalsContact O-N 3.17Å; R678-R682 VanDerWaalsContact O-CB 3.29Å; R678-R682 WeakPolarHBondContact O-CB 3.47Å; R678-R682 PolarHBondContact O-N 3.14Å
679	N	75.9	Confident	79.5	Confident	78 Å²	78	54.2 Å²	54.2	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-46.7	176.6	-72.1	-23.9	0	0	0	111.8	T279 K677 L681 R682 S683	T279-N679 PolarHBondContact O-ND2 3.23Å; K677-N679 VanDerWaalsContact C-N 3.26Å; K677-N679 PolarHBondContact O-N 2.9Å; K677-N679 VanDerWaalsContact O-N 3.15Å; N679-L681 PolarHBondContact O-N 3.48Å; N679-R682 PolarHBondContact O-N 2.86Å; N679-S683 PolarHBondContact O-N 3.32Å; N679-S683 PolarHBondContact O-OG 3.07Å; N679-S683 VanDerWaalsContact O-OG 3.13Å
680	E	81.4	Confident	79.8	Confident	103 Å²	103	57.2 Å²	57.2	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.5	-58.3	-52.5	143.1	0	0	111.4	L669 K677 R682 S683 H684	L669-E680 HydrophobicContact CD2-CB 4.48Å; K677-E680 HydrophobicContact CB-CB 4Å; K677-E680 HydrophobicContact CB-CG 3.94Å; K677-E680 HydrophobicContact CD-CG 4.18Å; K677-E680 PolarHBondContact O-N 3.22Å; E680-R682 PolarHBondContact O-N 3.11Å; E680-S683 PolarHBondContact O-N 3.4Å; E680-H684 WeakPolarHBondContact O-CB 3.17Å; E680-H684 PolarHBondContact O-N 2.95Å
681	L	88.8	Confident	80.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-42.9	174.6	-76.3	163	0	0	0	112	F587 F663 L669 A676 K677 N679 H684 F685	F587-L681 HydrophobicContact CB-CD1 4.45Å; F587-L681 HydrophobicContact CD1-CB 3.95Å; F587-L681 HydrophobicContact CD2-CB 4.17Å; F587-L681 HydrophobicContact CD2-CD1 3.85Å; F587-L681 HydrophobicContact CE1-CB 3.8Å; F587-L681 HydrophobicContact CE2-CB 4.04Å; F587-L681 HydrophobicContact CE2-CD1 4.26Å; F587-L681 HydrophobicContact CG-CB 4.13Å; F587-L681 HydrophobicContact CG-CD1 4.11Å; F587-L681 HydrophobicContact CZ-CB 3.84Å; F663-L681 HydrophobicContact CD1-CD2 3.92Å; F663-L681 HydrophobicContact CD2-CD2 4.08Å; F663-L681 HydrophobicContact CE1-CD2 3.98Å; F663-L681 HydrophobicContact CE2-CD2 4.12Å; F663-L681 HydrophobicContact CG-CD2 3.99Å; F663-L681 HydrophobicContact CZ-CD2 4.07Å; L669-L681 HydrophobicContact CB-CD2 3.96Å; L669-L681 HydrophobicContact CB-CG 4.39Å; L669-L681 HydrophobicContact CD1-CD2 4.06Å; L669-L681 HydrophobicContact CD2-CD2 4.08Å; L669-L681 HydrophobicContact CD2-CG 4.41Å; L669-L681 HydrophobicContact CG-CD2 4.26Å; A676-L681 HydrophobicContact CB-CD1 3.55Å; K677-L681 PolarHBondContact O-N 3.45Å; N679-L681 PolarHBondContact O-N 3.48Å; L681-H684 PolarHBondContact O-N 3.07Å; L681-F685 HydrophobicContact CD2-CD2 4.06Å; L681-F685 HydrophobicContact CD2-CE2 3.65Å; L681-F685 WeakPolarHBondContact O-CB 3.36Å; L681-F685 VanDerWaalsContact O-CD2 3.29Å; L681-F685 WeakPolarHBondContact O-CD2 3.28Å; L681-F685 PolarHBondContact O-N 2.95Å
682	R	86.6	Confident	82	Confident	95 Å²	95	61.3 Å²	61.3	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176.5	-177.5	-174.5	-177.5	-168.6	2.2	111.7	F587 D591 R678 N679 E680 R686	F587-R682 HydrophobicContact CZ-CB 4.4Å; D591-R682 IonicContact OD2-NH2 3.89Å; D591-R682 PolarHBondContact OD2-NH2 3.34Å; R678-R682 VanDerWaalsContact O-CB 3.29Å; R678-R682 WeakPolarHBondContact O-CB 3.47Å; R678-R682 PolarHBondContact O-N 3.14Å; N679-R682 PolarHBondContact O-N 2.86Å; E680-R682 PolarHBondContact O-N 3.11Å; R682-R686 WeakPolarHBondContact O-CA 3.19Å; R682-R686 PolarHBondContact O-N 3.49Å
683	S	84.1	Confident	83.7	Confident	84 Å²	84	61.2 Å²	61.2	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-45	178.1	-63.6	0	0	0	0	111.4	N679 E680 R686	N679-S683 PolarHBondContact O-N 3.32Å; N679-S683 PolarHBondContact O-OG 3.07Å; N679-S683 VanDerWaalsContact O-OG 3.13Å; E680-S683 PolarHBondContact O-N 3.4Å; S683-R686 WeakPolarHBondContact O-CB 3.39Å; S683-R686 PolarHBondContact O-N 2.93Å
684	H	91.4	Very high	85.3	Confident	100 Å²	100	62.7 Å²	62.7	46%	0.463	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-40.5	-179.4	-174.5	88.6	0	0	0	112.5	L669 E680 L681	L669-H684 HydrophobicContact CD2-CB 3.9Å; E680-H684 WeakPolarHBondContact O-CB 3.17Å; E680-H684 PolarHBondContact O-N 2.95Å; L681-H684 PolarHBondContact O-N 3.07Å
685	F	95.5	Very high	86.2	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	21.7	-179.1	-65.2	-64.2	0	0	0	113.9	I600 H659 F663 L669 L681 E687 Q688 I689	I600-F685 HydrophobicContact CD1-CB 4.22Å; I600-F685 HydrophobicContact CD1-CG 4.4Å; I600-F685 HydrophobicContact CG1-CB 4.01Å; I600-F685 HydrophobicContact CG1-CD1 4.44Å; I600-F685 HydrophobicContact CG1-CD2 4.2Å; I600-F685 HydrophobicContact CG1-CG 3.97Å; I600-F685 HydrophobicContact CG2-CD1 4.17Å; I600-F685 HydrophobicContact CG2-CD2 4.33Å; I600-F685 HydrophobicContact CG2-CE1 4.09Å; I600-F685 HydrophobicContact CG2-CE2 4.25Å; I600-F685 HydrophobicContact CG2-CG 4.31Å; I600-F685 HydrophobicContact CG2-CZ 4.15Å; H659-F685 HydrophobicContact CB-CE1 4.36Å; H659-F685 AromaticContact CD2-CE1 3.77Å; H659-F685 AromaticContact CD2-CZ 3.58Å; H659-F685 AromaticContact CE1-CE1 3.77Å; H659-F685 AromaticContact CG-CE1 3.7Å; H659-F685 AromaticContact CG-CZ 3.95Å; H659-F685 AromaticContact ND1-CE1 3.71Å; H659-F685 AromaticContact NE2-CE1 3.8Å; H659-F685 AromaticContact NE2-CZ 3.71Å; F663-F685 HydrophobicContact CD1-CE2 4.19Å; F663-F685 HydrophobicContact CD1-CZ 4.33Å; F663-F685 AromaticContact CE1-CE2 3.45Å; F663-F685 HydrophobicContact CE1-CE2 3.45Å; F663-F685 VanDerWaalsContact CE1-CE2 3.45Å; F663-F685 AromaticContact CE1-CZ 3.58Å; F663-F685 HydrophobicContact CE1-CZ 3.58Å; F663-F685 HydrophobicContact CZ-CE2 4.01Å; F663-F685 HydrophobicContact CZ-CZ 4.41Å; L669-F685 HydrophobicContact CD1-CE2 4.33Å; L681-F685 HydrophobicContact CD2-CD2 4.06Å; L681-F685 HydrophobicContact CD2-CE2 3.65Å; L681-F685 WeakPolarHBondContact O-CB 3.36Å; L681-F685 VanDerWaalsContact O-CD2 3.29Å; L681-F685 WeakPolarHBondContact O-CD2 3.28Å; L681-F685 PolarHBondContact O-N 2.95Å; F685-E687 PolarHBondContact O-N 3.41Å; F685-Q688 VanDerWaalsContact C-OE1 3.3Å; F685-Q688 VanDerWaalsContact CA-OE1 3.29Å; F685-Q688 PolarHBondContact O-N 2.86Å; F685-Q688 PolarHBondContact O-OE1 3.47Å; F685-I689 HydrophobicContact CB-CD1 4.05Å; F685-I689 HydrophobicContact CB-CG1 4.32Å; F685-I689 WeakPolarHBondContact O-CB 3.3Å; F685-I689 WeakPolarHBondContact O-CD1 3.48Å; F685-I689 WeakPolarHBondContact O-CG1 3.36Å; F685-I689 PolarHBondContact O-N 3.41Å
686	R	90.8	Very high	86.9	Confident	92 Å²	92	63 Å²	63	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-47	-170.9	-176.2	67.1	-155.3	177.5	-0.6	112.4	R682 S683 I689 D690	R682-R686 WeakPolarHBondContact O-CA 3.19Å; R682-R686 PolarHBondContact O-N 3.49Å; S683-R686 WeakPolarHBondContact O-CB 3.39Å; S683-R686 PolarHBondContact O-N 2.93Å; R686-I689 PolarHBondContact O-N 3.4Å; R686-D690 IonicContact CZ-OD1 2.61Å; R686-D690 IonicContact CZ-OD2 3.56Å; R686-D690 IonicContact NE-OD1 2.91Å; R686-D690 PolarHBondContact NE-OD1 2.92Å; R686-D690 IonicContact NE-OD2 3.04Å; R686-D690 PolarHBondContact NE-OD2 3.3Å; R686-D690 IonicContact NH2-OD1 2.71Å; R686-D690 PolarHBondContact NH2-OD1 3.04Å; R686-D690 IonicContact NH2-OD2 3.96Å; R686-D690 PolarHBondContact NH2-OD2 3.28Å; R686-D690 WeakPolarHBondContact O-CB 3.33Å; R686-D690 PolarHBondContact O-N 2.89Å
687	E	93.8	Very high	86	Confident	151 Å²	151	70.9 Å²	70.9	71%	0.706	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-46.5	-179.6	-65.7	-175.5	169.9	0	0	111.7	F685 I689 D690 E691	F685-E687 PolarHBondContact O-N 3.41Å; E687-I689 VanDerWaalsContact C-N 3.34Å; E687-I689 PolarHBondContact O-N 2.86Å; E687-D690 PolarHBondContact O-N 3.34Å; E687-E691 PolarHBondContact O-N 3.5Å
688	Q	93.8	Very high	84.7	Confident	67 Å²	67	77.4 Å²	77.4	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-41	178.7	-62	90.1	-23.9	0	0	111.5	I600 F685 E691 L692	I600-Q688 HydrophobicContact CD1-CB 4.1Å; F685-Q688 VanDerWaalsContact C-OE1 3.3Å; F685-Q688 VanDerWaalsContact CA-OE1 3.29Å; F685-Q688 PolarHBondContact O-N 2.86Å; F685-Q688 PolarHBondContact O-OE1 3.47Å; Q688-E691 PolarHBondContact O-N 3.4Å; Q688-L692 VanDerWaalsContact O-CG 3.23Å; Q688-L692 WeakPolarHBondContact O-CG 3.31Å; Q688-L692 PolarHBondContact O-N 3.4Å
689	I	93.5	Very high	84.7	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-45.9	176.8	-72.5	166.4	0	0	0	110.8	F587 H589 V598 I600 F685 R686 E687 E691 L692 Y693	F587-I689 HydrophobicContact CE1-CD1 4.09Å; H589-I689 HydrophobicContact CB-CD1 4.24Å; H589-I689 WeakPolarHBondContact CD2-CG2 3.28Å; V598-I689 HydrophobicContact CG2-CG2 4.2Å; I600-I689 HydrophobicContact CD1-CG1 4.36Å; F685-I689 HydrophobicContact CB-CD1 4.05Å; F685-I689 HydrophobicContact CB-CG1 4.32Å; F685-I689 WeakPolarHBondContact O-CB 3.3Å; F685-I689 WeakPolarHBondContact O-CD1 3.48Å; F685-I689 WeakPolarHBondContact O-CG1 3.36Å; F685-I689 PolarHBondContact O-N 3.41Å; R686-I689 PolarHBondContact O-N 3.4Å; E687-I689 VanDerWaalsContact C-N 3.34Å; E687-I689 PolarHBondContact O-N 2.86Å; I689-E691 VanDerWaalsContact C-N 3.34Å; I689-E691 PolarHBondContact O-N 3.42Å; I689-L692 PolarHBondContact O-N 3.45Å; I689-Y693 HydrophobicContact CG2-CD2 3.87Å; I689-Y693 HydrophobicContact CG2-CE2 3.72Å; I689-Y693 WeakPolarHBondContact O-CD2 3.48Å; I689-Y693 PolarHBondContact O-N 3.34Å
690	D	89.8	Confident	85.2	Confident	68 Å²	68	80 Å²	80	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-64.6	-39.5	179.5	-73.8	-26	0	0	0	111.2	R686 E687 Y693 A694	R686-D690 IonicContact CZ-OD1 2.61Å; R686-D690 IonicContact CZ-OD2 3.56Å; R686-D690 IonicContact NE-OD1 2.91Å; R686-D690 PolarHBondContact NE-OD1 2.92Å; R686-D690 IonicContact NE-OD2 3.04Å; R686-D690 PolarHBondContact NE-OD2 3.3Å; R686-D690 IonicContact NH2-OD1 2.71Å; R686-D690 PolarHBondContact NH2-OD1 3.04Å; R686-D690 IonicContact NH2-OD2 3.96Å; R686-D690 PolarHBondContact NH2-OD2 3.28Å; R686-D690 WeakPolarHBondContact O-CB 3.33Å; R686-D690 PolarHBondContact O-N 2.89Å; E687-D690 PolarHBondContact O-N 3.34Å; D690-Y693 PolarHBondContact O-N 3.29Å; D690-A694 WeakPolarHBondContact O-CB 3.44Å; D690-A694 PolarHBondContact O-N 2.88Å
691	E	92.3	Very high	85.4	Confident	104 Å²	104	78.7 Å²	78.7	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-42.8	172.1	-80.7	-168.5	-159.1	0	0	113.3	E687 Q688 I689 Y693 A694 K695	E687-E691 PolarHBondContact O-N 3.5Å; Q688-E691 PolarHBondContact O-N 3.4Å; I689-E691 VanDerWaalsContact C-N 3.34Å; I689-E691 PolarHBondContact O-N 3.42Å; E691-Y693 VanDerWaalsContact C-N 3.33Å; E691-A694 PolarHBondContact O-N 3.32Å; E691-K695 WeakPolarHBondContact O-CD 3.36Å; E691-K695 VanDerWaalsContact O-CG 3.27Å; E691-K695 WeakPolarHBondContact O-CG 3.43Å; E691-K695 PolarHBondContact O-N 3.36Å; E691-K695 IonicContact OE2-NZ 3.91Å; E691-K695 PolarHBondContact OE2-NZ 3.43Å
692	L	92.7	Very high	85.2	Confident	4 Å²	4	83.4 Å²	83.4	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-61.2	-46	178.2	-70.3	169	0	0	0	110	V598 I600 D655 I656 A657 Q688 I689 A694 K695 I696	V598-L692 HydrophobicContact CB-CB 3.97Å; V598-L692 HydrophobicContact CB-CD1 3.94Å; V598-L692 HydrophobicContact CG1-CB 3.75Å; V598-L692 HydrophobicContact CG2-CB 4.43Å; V598-L692 HydrophobicContact CG2-CD1 4.35Å; I600-L692 HydrophobicContact CD1-CD1 4.17Å; D655-L692 HydrophobicContact CB-CD2 4Å; D655-L692 VanDerWaalsContact OD2-CD2 3.32Å; D655-L692 WeakPolarHBondContact OD2-CD2 3.42Å; I656-L692 WeakPolarHBondContact O-CD2 3.29Å; A657-L692 HydrophobicContact CB-CD1 4.01Å; A657-L692 HydrophobicContact CB-CD2 4.37Å; A657-L692 HydrophobicContact CB-CG 4.48Å; Q688-L692 VanDerWaalsContact O-CG 3.23Å; Q688-L692 WeakPolarHBondContact O-CG 3.31Å; Q688-L692 PolarHBondContact O-N 3.4Å; I689-L692 PolarHBondContact O-N 3.45Å; L692-A694 VanDerWaalsContact C-N 3.35Å; L692-A694 PolarHBondContact O-N 2.93Å; L692-K695 PolarHBondContact O-N 2.91Å; L692-I696 WeakPolarHBondContact O-CD1 3.38Å; L692-I696 VanDerWaalsContact O-CG1 3.28Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 2.92Å
693	Y	88.3	Confident	85.1	Confident	13 Å²	13	82.6 Å²	82.6	5%	0.051	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-33.4	176.1	-77.1	-55.6	0	0	0	114	H589 G590 D591 K594 C596 V598 I689 D690 E691 K695 I696	H589-Y693 AromaticContact CD2-CE2 3.84Å; H589-Y693 PolarHBondContact O-OH 3.41Å; G590-Y693 VanDerWaalsContact CA-OH 3.24Å; G590-Y693 WeakPolarHBondContact CA-OH 3.45Å; D591-Y693 HydrophobicContact CB-CE2 4.5Å; D591-Y693 PolarHBondContact N-OH 2.8Å; K594-Y693 HydrophobicContact CB-CD1 4.1Å; K594-Y693 HydrophobicContact CB-CE1 3.59Å; K594-Y693 HydrophobicContact CD-CD1 3.81Å; K594-Y693 HydrophobicContact CD-CE1 4.19Å; K594-Y693 HydrophobicContact CD-CG 4.08Å; K594-Y693 HydrophobicContact CG-CD1 3.75Å; K594-Y693 HydrophobicContact CG-CD2 4.34Å; K594-Y693 HydrophobicContact CG-CE1 3.61Å; K594-Y693 HydrophobicContact CG-CE2 4.18Å; K594-Y693 HydrophobicContact CG-CG 4.12Å; C596-Y693 WeakPolarHBondContact O-CE1 3.47Å; V598-Y693 HydrophobicContact CG1-CD1 3.91Å; V598-Y693 HydrophobicContact CG1-CE1 3.74Å; V598-Y693 HydrophobicContact CG1-CG 4.38Å; V598-Y693 HydrophobicContact CG2-CD2 4.33Å; V598-Y693 HydrophobicContact CG2-CE1 4.25Å; V598-Y693 HydrophobicContact CG2-CE2 3.78Å; I689-Y693 HydrophobicContact CG2-CD2 3.87Å; I689-Y693 HydrophobicContact CG2-CE2 3.72Å; I689-Y693 WeakPolarHBondContact O-CD2 3.48Å; I689-Y693 PolarHBondContact O-N 3.34Å; D690-Y693 PolarHBondContact O-N 3.29Å; E691-Y693 VanDerWaalsContact C-N 3.33Å; Y693-K695 VanDerWaalsContact C-N 3.33Å; Y693-I696 HydrophobicContact CD1-CD1 4.41Å; Y693-I696 PolarHBondContact O-N 2.9Å
694	A	87.4	Confident	85.2	Confident	85 Å²	85	82.5 Å²	82.5	70%	0.702	40%	0.4	S	S	*	.	H	α-helix	trans	-69.1	-32.3	176.9	0	0	0	0	0	112.4	D690 E691 L692 I696	D690-A694 WeakPolarHBondContact O-CB 3.44Å; D690-A694 PolarHBondContact O-N 2.88Å; E691-A694 PolarHBondContact O-N 3.32Å; L692-A694 VanDerWaalsContact C-N 3.35Å; L692-A694 PolarHBondContact O-N 2.93Å; A694-I696 VanDerWaalsContact C-N 3.33Å
695	K	82.9	Confident	84.8	Confident	125 Å²	125	81.3 Å²	81.3	54%	0.543	40%	0.396	S	S	.	.	H	α-helix	trans	-75.8	-22.5	178	-71.5	165.1	-169.8	159.5	0	112.7	E691 L692 Y693 K697	E691-K695 WeakPolarHBondContact O-CD 3.36Å; E691-K695 VanDerWaalsContact O-CG 3.27Å; E691-K695 WeakPolarHBondContact O-CG 3.43Å; E691-K695 PolarHBondContact O-N 3.36Å; E691-K695 IonicContact OE2-NZ 3.91Å; E691-K695 PolarHBondContact OE2-NZ 3.43Å; L692-K695 PolarHBondContact O-N 2.91Å; Y693-K695 VanDerWaalsContact C-N 3.33Å; K695-K697 PolarHBondContact O-N 2.81Å
696	I	81.3	Confident	83.9	Confident	28 Å²	28	87.5 Å²	87.5	14%	0.144	43%	0.426	C	S	.	.	S	Bend	trans	-80.8	101.7	175.7	-62.9	160.8	0	0	0	108.2	V598 R654 D655 L692 Y693 A694 M698	V598-I696 HydrophobicContact CG1-CD1 3.58Å; R654-I696 HydrophobicContact CB-CD1 3.78Å; R654-I696 HydrophobicContact CB-CG1 4.35Å; R654-I696 HydrophobicContact CG-CD1 3.87Å; R654-I696 HydrophobicContact CG-CG1 3.88Å; R654-I696 HydrophobicContact CG-CG2 3.88Å; D655-I696 HydrophobicContact CB-CD1 4.24Å; D655-I696 HydrophobicContact CB-CG1 4.37Å; L692-I696 WeakPolarHBondContact O-CD1 3.38Å; L692-I696 VanDerWaalsContact O-CG1 3.28Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 2.92Å; Y693-I696 HydrophobicContact CD1-CD1 4.41Å; Y693-I696 PolarHBondContact O-N 2.9Å; A694-I696 VanDerWaalsContact C-N 3.33Å; I696-M698 PolarHBondContact O-N 3.01Å
697	K	57.5	Low	83.4	Confident	195 Å²	195	87.1 Å²	87.1	85%	0.848	43%	0.432	S	S	*	.			trans	-59.3	120.2	166.4	-74	-175	176.4	-178	0	108.2	K695	K695-K697 PolarHBondContact O-N 2.81Å
698	M	47.2	Very low	82.4	Confident	204 Å²	204	81.3 Å²	81.3	100%	1.005	41%	0.407	S	S	*	.			trans	-59.8	0	172.8	-83.4	-175.4	167.8	0	0	111.3	K594 I696	K594-M698 HydrophobicContact CD-CE 4.04Å; I696-M698 PolarHBondContact O-N 3.01Å

Retrieved 698 of 698 residues in 2467.9 ms (Link to these results)

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