A0A096MZB0_PAPAN Loading...

Acetyl-CoA acetyltransferase, mitochondrial

This is one of the enzymes that catalyzes the last step of the mitochondrial beta-oxidation pathway, an aerobic process breaking down fatty acids into acetyl-CoA. Using free coenzyme A/CoA, catalyzes the thiolytic cleavage of medium- to long-chain 3-oxoacyl-CoAs into acetyl-CoA and a fatty acyl-CoA shortened by two carbon atoms. The activity of the enzyme is reversible and it can also catalyze the condensation of two acetyl-CoA molecules into acetoacetyl-CoA. Thereby, it plays a major role in ketone body metabolism.

AlphaFold DB , UniProt , Accession A0A096MZB0, Species PAPAN (Papio anubis, Olive baboon), Gene ACAT1, Length 427 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	46.9	Very low	46.6	Very low	193 Å²	193	105.9 Å²	105.9	95%	0.951	64%	0.642	S	S	*	*				0	-50.8	0	-71.7	-56.2	-164.7	0	0	113.5	V3 L4 A5	M1-V3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-A5 PolarHBondContact O-N 3.32Å
2	A	40.1	Very low	46.8	Very low	89 Å²	89	105.2 Å²	105.2	74%	0.736	66%	0.655	S	S	*	*	H	α-helix	trans	-64.7	-34.5	-177.6	0	0	0	0	0	115.3	L4	A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 2.78Å
3	V	44	Very low	46.8	Very low	118 Å²	118	116.1 Å²	116.1	72%	0.715	68%	0.676	S	S	*	*	H	α-helix	trans	-69.6	-29.2	178.2	-178.7	0	0	0	0	112.4	M1	M1-V3 PolarHBondContact O-N 3.39Å
4	L	45.8	Very low	47.1	Very low	86 Å²	86	116.1 Å²	116.1	45%	0.45	69%	0.686	S	S	.	*	H	α-helix	trans	-78.6	-32.4	-177.2	-150.7	77.9	0	0	0	112.1	M1 A2 A6 L7	M1-L4 PolarHBondContact O-N 2.92Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 2.78Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.45Å; L4-L7 PolarHBondContact O-N 3.37Å
5	A	48.8	Very low	47.5	Very low	51 Å²	51	116 Å²	116	42%	0.421	67%	0.669	S	S	.	*	H	α-helix	trans	-67.8	-30.5	176.1	0	0	0	0	0	112.6	M1	M1-A5 PolarHBondContact O-N 3.32Å
6	A	48.2	Very low	48.6	Very low	72 Å²	72	112.2 Å²	112.2	60%	0.595	65%	0.651	S	S	*	*	H	α-helix	trans	-69.1	-35.3	176.5	0	0	0	0	0	112.6	L4 L8	L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.45Å; A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 3.11Å
7	L	47.7	Very low	49.3	Very low	98 Å²	98	112 Å²	112	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-72	-22.3	178.7	-80.4	159.2	0	0	0	113.8	L4	L4-L7 PolarHBondContact O-N 3.37Å
8	L	51.6	Low	49.8	Very low	104 Å²	104	113.3 Å²	113.3	55%	0.545	66%	0.658	S	S	.	*	H	α-helix	trans	-87.7	-15.1	-177.7	-73.6	166.8	0	0	0	114	A6	A6-L8 VanDerWaalsContact C-N 3.32Å; A6-L8 PolarHBondContact O-N 3.11Å
9	R	50.8	Low	50.1	Low	232 Å²	232	110.4 Å²	110.4	88%	0.875	64%	0.639	S	S	*	*	S	Bend	trans	-92.2	-6.1	-179.9	-69.2	-175	179.8	-168.4	0.4	114.5
10	G	44.5	Very low	50.5	Low	47 Å²	47	113.7 Å²	113.7	49%	0.485	64%	0.64	S	S	.	*	S	Bend	trans	-80.5	129.6	176.9	0	0	0	0	0	112.8
11	G	44.5	Very low	50.8	Low	75 Å²	75	117.3 Å²	117.3	77%	0.773	64%	0.644	S	S	*	*			trans	-50.1	148.4	-174.5	0	0	0	0	0	115.7	R13	G11-R13 VanDerWaalsContact C-N 3.34Å; G11-R13 PolarHBondContact O-N 2.77Å
12	A	48.3	Very low	51.3	Low	97 Å²	97	112.8 Å²	112.8	80%	0.802	62%	0.623	S	S	*	*	S	Bend	trans	-71.9	73.3	-173	0	0	0	0	0	113.2
13	R	47.6	Very low	52.2	Low	247 Å²	247	111.2 Å²	111.2	93%	0.932	60%	0.604	S	S	*	*	S	Bend	trans	-160.2	56.8	168	-109.4	171.6	-164.6	-169.2	3.9	112.3	G11	G11-R13 VanDerWaalsContact C-N 3.34Å; G11-R13 PolarHBondContact O-N 2.77Å
14	S	51	Low	52.8	Low	116 Å²	116	112.5 Å²	112.5	81%	0.811	60%	0.602	S	S	*	*			trans	160.2	89.2	157.7	175.9	0	0	0	0	107.8
15	R	53.1	Low	53.3	Low	115 Å²	115	114.8 Å²	114.8	43%	0.434	61%	0.611	S	S	.	*			trans	-113.2	111.7	167	-72.4	-171.6	-179.8	-174	0.9	107.1
16	S	64.9	Low	53.6	Low	55 Å²	55	115.4 Å²	115.4	39%	0.385	61%	0.607	S	S	.	*			trans	-57.4	151.5	177.4	74.2	0	0	0	0	110.4	L18 L19 R20	S16-L18 PolarHBondContact O-N 2.89Å; S16-L18 VanDerWaalsContact O-N 3.1Å; S16-L19 PolarHBondContact O-N 2.83Å; S16-L19 PolarHBondContact OG-N 3.32Å; S16-R20 PolarHBondContact O-N 2.99Å
17	P	59.9	Low	53.6	Low	109 Å²	109	121.2 Å²	121.2	71%	0.708	61%	0.613	S	S	*	*	H	α-helix	trans	-53.7	-31.4	177.3	-24.8	33.5	0	0	0	112.9	R20 R21	P17-R20 PolarHBondContact O-N 3.02Å; P17-R21 PolarHBondContact O-N 3.26Å
18	L	58.5	Low	53.6	Low	136 Å²	136	126.5 Å²	126.5	71%	0.712	63%	0.628	S	S	*	*	H	α-helix	trans	-61.8	-44.2	174.9	-95.6	145.5	0	0	0	113	S16 R20 R21 L22	S16-L18 PolarHBondContact O-N 2.89Å; S16-L18 VanDerWaalsContact O-N 3.1Å; L18-R20 VanDerWaalsContact C-N 3.32Å; L18-R20 PolarHBondContact O-N 3.38Å; L18-R21 PolarHBondContact O-N 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 2.81Å
19	L	55.8	Low	53.5	Low	58 Å²	58	126.5 Å²	126.5	30%	0.304	63%	0.631	S	S	.	*	H	α-helix	trans	-70.8	-31.1	-179.5	-138.1	88.1	0	0	0	111.9	S16 V23	S16-L19 PolarHBondContact O-N 2.83Å; S16-L19 PolarHBondContact OG-N 3.32Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.04Å; L19-V23 VanDerWaalsContact O-N 3.11Å
20	R	58.1	Low	53.2	Low	175 Å²	175	122.1 Å²	122.1	66%	0.66	62%	0.621	S	S	*	*	H	α-helix	trans	-68.1	-45.3	172.6	-70.4	-173.1	-173.3	-160.6	1.1	111.3	S16 P17 L18 V23 Q24	S16-R20 PolarHBondContact O-N 2.99Å; P17-R20 PolarHBondContact O-N 3.02Å; L18-R20 VanDerWaalsContact C-N 3.32Å; L18-R20 PolarHBondContact O-N 3.38Å; R20-V23 PolarHBondContact O-N 3.23Å; R20-Q24 WeakPolarHBondContact O-CB 3.45Å; R20-Q24 PolarHBondContact O-N 3.45Å
21	R	57.3	Low	53.4	Low	191 Å²	191	130.1 Å²	130.1	72%	0.721	64%	0.637	S	S	*	*	H	α-helix	trans	-60	-44.2	174	-94.4	-175.6	175.5	-178.4	-1.3	112.1	P17 L18 V23 Q24 E25	P17-R21 PolarHBondContact O-N 3.26Å; L18-R21 PolarHBondContact O-N 3.15Å; R21-V23 PolarHBondContact O-N 3.37Å; R21-Q24 WeakPolarHBondContact O-CB 3.14Å; R21-Q24 PolarHBondContact O-N 2.91Å; R21-Q24 VanDerWaalsContact O-N 3.16Å; R21-E25 WeakPolarHBondContact O-CB 3.49Å; R21-E25 WeakPolarHBondContact O-CG 3.25Å; R21-E25 PolarHBondContact O-N 3.05Å
22	L	57.5	Low	53.5	Low	97 Å²	97	131.3 Å²	131.3	51%	0.508	63%	0.633	S	S	.	*	H	α-helix	trans	-63.2	-41.4	179.3	-151.5	87.3	0	0	0	112	L18 Q24 E25 I26	L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 2.81Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-E25 PolarHBondContact O-N 3.14Å; L22-I26 HydrophobicContact CD2-CD1 4.11Å; L22-I26 HydrophobicContact CG-CD1 4.07Å; L22-I26 VanDerWaalsContact O-CB 3.31Å; L22-I26 WeakPolarHBondContact O-CB 3.43Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.11Å
23	V	59.5	Low	53.7	Low	56 Å²	56	136 Å²	136	34%	0.339	63%	0.631	S	S	.	*	H	α-helix	trans	-69.6	-31.4	175.8	172.9	0	0	0	0	111.9	L19 R20 R21 R27	L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.04Å; L19-V23 VanDerWaalsContact O-N 3.11Å; R20-V23 PolarHBondContact O-N 3.23Å; R21-V23 PolarHBondContact O-N 3.37Å; V23-R27 WeakPolarHBondContact O-CB 3.19Å; V23-R27 WeakPolarHBondContact O-CG 3.47Å; V23-R27 PolarHBondContact O-N 3.19Å
24	Q	56.3	Low	54.1	Low	145 Å²	145	130.9 Å²	130.9	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-71.3	-41.4	175	-136.9	171.5	-6	0	0	111.7	R20 R21 L22 R27 Y28	R20-Q24 WeakPolarHBondContact O-CB 3.45Å; R20-Q24 PolarHBondContact O-N 3.45Å; R21-Q24 WeakPolarHBondContact O-CB 3.14Å; R21-Q24 PolarHBondContact O-N 2.91Å; R21-Q24 VanDerWaalsContact O-N 3.16Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; Q24-R27 PolarHBondContact O-N 3.48Å; Q24-Y28 PolarHBondContact O-N 2.73Å; Q24-Y28 VanDerWaalsContact O-N 3.11Å
25	E	56.2	Low	55.6	Low	135 Å²	135	130 Å²	130	63%	0.631	62%	0.621	S	S	*	*	H	α-helix	trans	-66.7	-44.1	173.7	-72.5	-122.7	156.8	0	0	111.7	R21 L22 R27 Y28 V29	R21-E25 WeakPolarHBondContact O-CB 3.49Å; R21-E25 WeakPolarHBondContact O-CG 3.25Å; R21-E25 PolarHBondContact O-N 3.05Å; L22-E25 PolarHBondContact O-N 3.14Å; E25-R27 VanDerWaalsContact C-N 3.31Å; E25-R27 PolarHBondContact O-N 3.39Å; E25-Y28 CarbonylContact O-C 3.45Å; E25-Y28 WeakPolarHBondContact O-CA 3.48Å; E25-Y28 WeakPolarHBondContact O-CB 3.46Å; E25-Y28 PolarHBondContact O-N 3.32Å; E25-V29 VanDerWaalsContact O-CG2 3.3Å; E25-V29 WeakPolarHBondContact O-CG2 3.49Å; E25-V29 PolarHBondContact O-N 2.87Å
26	I	53.9	Low	57.1	Low	64 Å²	64	132.3 Å²	132.3	33%	0.328	63%	0.634	S	S	.	*	H	α-helix	trans	-62.7	-38.1	176.4	-69.3	164.8	0	0	0	111.1	L22 Y28 V29 E30	L22-I26 HydrophobicContact CD2-CD1 4.11Å; L22-I26 HydrophobicContact CG-CD1 4.07Å; L22-I26 VanDerWaalsContact O-CB 3.31Å; L22-I26 WeakPolarHBondContact O-CB 3.43Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.11Å; I26-Y28 PolarHBondContact O-N 3.04Å; I26-V29 PolarHBondContact O-N 3.15Å; I26-E30 PolarHBondContact O-N 3.3Å; I26-E30 VanDerWaalsContact O-N 3.16Å
27	R	47.8	Very low	58.3	Low	193 Å²	193	134.4 Å²	134.4	73%	0.728	65%	0.646	S	S	*	*	H	α-helix	trans	-66.6	-24.5	171.8	-80.2	-178.5	-179.3	-170	-0.1	113.6	V23 Q24 E25	V23-R27 WeakPolarHBondContact O-CB 3.19Å; V23-R27 WeakPolarHBondContact O-CG 3.47Å; V23-R27 PolarHBondContact O-N 3.19Å; Q24-R27 PolarHBondContact O-N 3.48Å; E25-R27 VanDerWaalsContact C-N 3.31Å; E25-R27 PolarHBondContact O-N 3.39Å
28	Y	49.3	Very low	59.9	Low	210 Å²	210	136.3 Å²	136.3	82%	0.824	66%	0.656	S	S	*	*	H	α-helix	trans	-81.3	-30.6	176.1	-147.5	-95.2	0	0	0	111.7	Q24 E25 I26	Q24-Y28 PolarHBondContact O-N 2.73Å; Q24-Y28 VanDerWaalsContact O-N 3.11Å; E25-Y28 CarbonylContact O-C 3.45Å; E25-Y28 WeakPolarHBondContact O-CA 3.48Å; E25-Y28 WeakPolarHBondContact O-CB 3.46Å; E25-Y28 PolarHBondContact O-N 3.32Å; I26-Y28 PolarHBondContact O-N 3.04Å
29	V	49.8	Very low	61.7	Low	103 Å²	103	134.1 Å²	134.1	62%	0.624	65%	0.645	S	S	*	*	H	α-helix	trans	-82.3	-23.7	-179.3	176.7	0	0	0	0	113	E25 I26	E25-V29 VanDerWaalsContact O-CG2 3.3Å; E25-V29 WeakPolarHBondContact O-CG2 3.49Å; E25-V29 PolarHBondContact O-N 2.87Å; I26-V29 PolarHBondContact O-N 3.15Å
30	E	43.5	Very low	63.7	Low	140 Å²	140	136.7 Å²	136.7	65%	0.654	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	16.3	-177.4	-82.1	-172.2	157.7	0	0	116.2	I26	I26-E30 PolarHBondContact O-N 3.3Å; I26-E30 VanDerWaalsContact O-N 3.16Å
31	R	48.2	Very low	65.7	Low	215 Å²	215	132.6 Å²	132.6	81%	0.811	64%	0.642	S	S	*	*			trans	-109.7	51.2	167.5	-82.2	-171.7	175	-177.7	-1.7	112.3	Y33	R31-Y33 PolarHBondContact O-N 3.01Å; R31-Y33 VanDerWaalsContact O-N 3.14Å
32	S	46.3	Very low	67.7	Low	100 Å²	100	123.6 Å²	123.6	70%	0.699	61%	0.608	S	S	*	*			trans	-82.7	48.7	163.1	-41.2	0	0	0	0	111	V34	S32-V34 VanDerWaalsContact C-N 3.27Å; S32-V34 PolarHBondContact O-N 3.4Å; S32-V34 VanDerWaalsContact O-N 3.09Å
33	Y	53.8	Low	69.6	Low	196 Å²	196	119 Å²	119	77%	0.769	59%	0.585	S	S	*	*			trans	-76.3	92.1	158.6	-74.3	-82.3	0	0	0	105.9	R31 S35	R31-Y33 PolarHBondContact O-N 3.01Å; R31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-S35 PolarHBondContact O-N 3.3Å
34	V	56.3	Low	71.5	Confident	140 Å²	140	116.4 Å²	116.4	85%	0.848	57%	0.568	S	S	*	*			trans	-72.1	69.5	169.3	-173.8	0	0	0	0	107.4	S32	S32-V34 VanDerWaalsContact C-N 3.27Å; S32-V34 PolarHBondContact O-N 3.4Å; S32-V34 VanDerWaalsContact O-N 3.09Å
35	S	80.8	Confident	73.5	Confident	97 Å²	97	109.8 Å²	109.8	68%	0.678	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-80.7	124.6	166.5	58.1	0	0	0	0	107.6	Y33	Y33-S35 PolarHBondContact O-N 3.3Å
36	K	84.5	Confident	75.6	Confident	163 Å²	163	103.4 Å²	103.4	71%	0.709	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-55.5	140.8	169.1	-70.8	-171.7	175.4	-169.7	0	109.1
37	P	90.3	Very high	77.7	Confident	99 Å²	99	100.4 Å²	100.4	64%	0.643	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-59.7	141.7	176.5	26.1	-33.9	0	0	0	110.1	L39	P37-L39 HydrophobicContact CB-CD2 4.02Å; P37-L39 HydrophobicContact CB-CG 4.25Å; P37-L39 HydrophobicContact CG-CD1 4.36Å; P37-L39 HydrophobicContact CG-CD2 4.26Å; P37-L39 HydrophobicContact CG-CG 4.21Å; P37-L39 PolarHBondContact O-N 2.84Å
38	T	94	Very high	80.1	Confident	149 Å²	149	91.4 Å²	91.4	91%	0.914	46%	0.459	S	S	*	.			trans	-83.7	104.8	170.3	-55.9	0	0	0	0	108.2
39	L	97.1	Very high	82.5	Confident	90 Å²	90	81.5 Å²	81.5	47%	0.471	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-101.1	157.4	-175.9	-60.4	177.5	0	0	0	111.6	P37 M141	P37-L39 HydrophobicContact CB-CD2 4.02Å; P37-L39 HydrophobicContact CB-CG 4.25Å; P37-L39 HydrophobicContact CG-CD1 4.36Å; P37-L39 HydrophobicContact CG-CD2 4.26Å; P37-L39 HydrophobicContact CG-CG 4.21Å; P37-L39 PolarHBondContact O-N 2.84Å; L39-M141 HydrophobicContact CB-CB 4.12Å; L39-M141 HydrophobicContact CB-CG 4.38Å; L39-M141 HydrophobicContact CD1-CB 4.28Å; L39-M141 HydrophobicContact CD1-CG 4.49Å; L39-M141 HydrophobicContact CD1-SD 4.24Å; L39-M141 HydrophobicContact CD2-CB 4.43Å
40	K	98.1	Very high	84.8	Confident	112 Å²	112	76.6 Å²	76.6	49%	0.487	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-69.9	138.8	172	-59.5	-67.6	-175.2	177.7	0	110.3	L140 M141 T297	K40-L140 WeakPolarHBondContact CB-O 3.3Å; K40-M141 PolarHBondContact N-O 3.36Å; K40-T297 HydrophobicContact CB-CG2 3.94Å; K40-T297 HydrophobicContact CG-CG2 4.29Å
41	E	98.6	Very high	87.5	Confident	90 Å²	90	69.9 Å²	69.9	42%	0.421	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.7	132.7	170.5	-175.5	174.8	94.2	0	0	110.3	T297 A298 R311	E41-T297 CarbonylContact O-C 3.57Å; E41-T297 VanDerWaalsContact O-CA 3.3Å; E41-T297 WeakPolarHBondContact O-CA 3.36Å; E41-A298 HydrophobicContact CB-CB 4.14Å; E41-A298 HydrophobicContact CG-CB 4.4Å; E41-A298 PolarHBondContact O-N 3.32Å; E41-R311 HydrophobicContact CG-CG 3.99Å; E41-R311 WeakPolarHBondContact OE2-CD 3.35Å; E41-R311 IonicContact OE2-NH1 3.15Å; E41-R311 PolarHBondContact OE2-NH1 2.88Å; E41-R311 VanDerWaalsContact OE2-NH1 3.15Å
42	V	98.9	Very high	89.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.3	-178.9	-178.3	0	0	0	0	110.3	L140 M141 I312	V42-L140 HydrophobicContact CG1-CD1 3.74Å; V42-L140 HydrophobicContact CG2-CB 3.76Å; V42-L140 HydrophobicContact CG2-CD1 4.49Å; V42-M141 HydrophobicContact CG2-CE 4.36Å; V42-M141 HydrophobicContact CG2-CG 3.72Å; V42-I312 HydrophobicContact CB-CB 4.49Å; V42-I312 HydrophobicContact CG1-CD1 4.02Å; V42-I312 HydrophobicContact CG1-CG1 4.49Å; V42-I312 PolarHBondContact O-N 3.49Å
43	V	98.9	Very high	92.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.7	179.7	-63.9	0	0	0	0	111.6	V45 L295 M296 A298 A301 P308 A310 L427	V43-V45 HydrophobicContact CG2-CG2 4.26Å; V43-L295 WeakPolarHBondContact O-CA 3.34Å; V43-M296 HydrophobicContact CG2-CG 3.86Å; V43-M296 WeakPolarHBondContact CG2-O 3.46Å; V43-M296 PolarHBondContact N-O 3.04Å; V43-M296 PolarHBondContact O-N 2.96Å; V43-A298 HydrophobicContact CG1-CB 4.47Å; V43-A301 HydrophobicContact CG2-CB 4.12Å; V43-P308 HydrophobicContact CB-CB 3.69Å; V43-P308 HydrophobicContact CG1-CB 4.03Å; V43-P308 HydrophobicContact CG2-CB 3.86Å; V43-A310 CarbonylContact C-O 3.57Å; V43-A310 VanDerWaalsContact CA-O 3.31Å; V43-A310 WeakPolarHBondContact CA-O 3.43Å; V43-L427 HydrophobicContact CG1-CD1 4.07Å
44	I	98.9	Very high	94.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.6	169.5	-55.4	172.3	0	0	0	107	S46 L293 L295 L309 A310 I312 V395 T399 I424	I44-S46 WeakPolarHBondContact CG2-O 3.39Å; I44-L293 HydrophobicContact CD1-CD2 4.07Å; I44-L293 HydrophobicContact CG1-CD2 4.46Å; I44-L293 HydrophobicContact CG2-CD2 3.98Å; I44-L295 HydrophobicContact CB-CD2 4.37Å; I44-L295 HydrophobicContact CG1-CD2 3.74Å; I44-L295 HydrophobicContact CG2-CD2 4.48Å; I44-L309 WeakPolarHBondContact O-CB 3.24Å; I44-L309 PolarHBondContact O-N 2.9Å; I44-A310 HydrophobicContact CB-CB 4.5Å; I44-A310 HydrophobicContact CD1-CB 4.42Å; I44-A310 PolarHBondContact N-O 3.2Å; I44-A310 PolarHBondContact O-N 2.86Å; I44-I312 HydrophobicContact CD1-CD1 4.29Å; I44-I312 HydrophobicContact CD1-CG1 3.99Å; I44-I312 HydrophobicContact CG1-CD1 4.02Å; I44-I312 HydrophobicContact CG1-CG1 3.89Å; I44-V395 HydrophobicContact CD1-CG1 4.12Å; I44-T399 HydrophobicContact CB-CG2 4.34Å; I44-T399 WeakPolarHBondContact CD1-OG1 3.41Å; I44-T399 HydrophobicContact CG2-CG2 3.82Å; I44-I424 HydrophobicContact CD1-CG2 4.19Å
45	V	98.9	Very high	96.6	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-28.3	179.2	178.2	0	0	0	0	111.9	V43 A79 V294 M296 V306 P308 L309	V43-V45 HydrophobicContact CG2-CG2 4.26Å; V45-A79 HydrophobicContact CG1-CB 3.91Å; V45-V294 PolarHBondContact N-O 3.38Å; V45-M296 HydrophobicContact CB-CE 3.91Å; V45-M296 HydrophobicContact CG1-CE 4.24Å; V45-M296 HydrophobicContact CG2-CE 3.52Å; V45-M296 HydrophobicContact CG2-CG 3.68Å; V45-M296 HydrophobicContact CG2-SD 3.6Å; V45-M296 VanDerWaalsContact CG2-SD 3.6Å; V45-V306 HydrophobicContact CG1-CB 4Å; V45-V306 HydrophobicContact CG1-CG2 3.89Å; V45-V306 HydrophobicContact CG2-CG2 4.18Å; V45-P308 HydrophobicContact CG2-CB 4.5Å; V45-L309 VanDerWaalsContact O-CD1 3.29Å; V45-L309 WeakPolarHBondContact O-CD1 3.44Å; V45-L309 WeakPolarHBondContact O-CG 3.29Å
46	S	98.9	Very high	97.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.7	170.6	68.3	0	0	0	0	110.7	I44 A75 L293 V294	I44-S46 WeakPolarHBondContact CG2-O 3.39Å; S46-A75 WeakPolarHBondContact CB-O 3.43Å; S46-A75 PolarHBondContact OG-O 2.86Å; S46-L293 VanDerWaalsContact O-CA 3.26Å; S46-L293 WeakPolarHBondContact O-CA 3.27Å; S46-V294 PolarHBondContact O-N 3.05Å; S46-V294 WeakPolarHBondContact OG-CB 3.44Å; S46-V294 WeakPolarHBondContact OG-CG2 3.46Å
47	A	98.9	Very high	98.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	123.7	170.9	0	0	0	0	0	108.3	L293 H400	A47-L293 HydrophobicContact CB-CD2 4.07Å; A47-L293 HydrophobicContact CB-CG 3.77Å; A47-H400 PolarHBondContact O-NE2 2.85Å
48	T	98.9	Very high	98.5	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148	-175.3	-51	0	0	0	0	110	G74 A75 E234 I236 A291 A292	T48-G74 PolarHBondContact OG1-O 3.5Å; T48-A75 WeakPolarHBondContact OG1-CA 3.16Å; T48-A75 PolarHBondContact OG1-N 3.46Å; T48-E234 CarbonylContact C-O 3.55Å; T48-E234 WeakPolarHBondContact CA-O 3.41Å; T48-I236 HydrophobicContact CG2-CB 4.19Å; T48-I236 HydrophobicContact CG2-CD1 3.76Å; T48-I236 HydrophobicContact CG2-CG1 3.87Å; T48-I236 HydrophobicContact CG2-CG2 3.41Å; T48-I236 VanDerWaalsContact CG2-CG2 3.41Å; T48-A291 CarbonylContact O-C 3.44Å; T48-A291 WeakPolarHBondContact O-CA 2.96Å; T48-A292 PolarHBondContact N-O 2.84Å; T48-A292 PolarHBondContact O-N 2.87Å; T48-A292 VanDerWaalsContact O-O 3.14Å
49	R	98.9	Very high	98.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.3	177.2	67.3	176.1	-176.9	89.4	-10.5	112.7	E234 V235 I236 D253 A290 A291 M389	R49-E234 VanDerWaalsContact CD-OE1 3.26Å; R49-E234 WeakPolarHBondContact CD-OE1 3.22Å; R49-E234 HydrophobicContact CG-CG 4.14Å; R49-E234 IonicContact CZ-OE1 3.4Å; R49-E234 PolarHBondContact N-O 3.04Å; R49-E234 IonicContact NE-OE1 3.54Å; R49-E234 PolarHBondContact NE-OE1 3.37Å; R49-E234 IonicContact NH2-OE1 3.65Å; R49-V235 HydrophobicContact CG-CG2 3.94Å; R49-V235 WeakPolarHBondContact O-CA 3.44Å; R49-I236 WeakPolarHBondContact O-CG1 3.11Å; R49-I236 PolarHBondContact O-N 2.95Å; R49-D253 IonicContact CZ-OD1 2.68Å; R49-D253 IonicContact CZ-OD2 2.74Å; R49-D253 IonicContact NH1-OD1 3.06Å; R49-D253 PolarHBondContact NH1-OD1 3.25Å; R49-D253 IonicContact NH1-OD2 2.66Å; R49-D253 PolarHBondContact NH1-OD2 3.1Å; R49-D253 IonicContact NH2-OD1 2.74Å; R49-D253 IonicContact NH2-OD2 3.99Å; R49-D253 PolarHBondContact NH2-OD2 3.24Å; R49-A290 CarbonylContact C-O 3.51Å; R49-A290 WeakPolarHBondContact CA-O 3.37Å; R49-A290 VanDerWaalsContact CB-O 3.25Å; R49-A290 WeakPolarHBondContact CB-O 3.17Å; R49-A291 HydrophobicContact CB-CB 3.78Å; R49-M389 HydrophobicContact CB-CE 4.08Å
50	T	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-68.8	164.7	162.1	66.6	0	0	0	0	109.9	L67 I70 V238 G289 A290	T50-L67 HydrophobicContact CG2-CB 4.45Å; T50-L67 HydrophobicContact CG2-CD2 4.35Å; T50-I70 HydrophobicContact CG2-CB 4.32Å; T50-I70 HydrophobicContact CG2-CG2 4.15Å; T50-V238 HydrophobicContact CG2-CG2 3.94Å; T50-G289 WeakPolarHBondContact OG1-CA 3.32Å; T50-A290 HydrophobicContact CG2-CB 4.45Å; T50-A290 PolarHBondContact N-O 3.37Å; T50-A290 PolarHBondContact OG1-N 3Å; T50-A290 PolarHBondContact OG1-O 3.3Å
51	P	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-58	158.1	156.1	-15.6	31.9	0	0	0	109.5	L59 V235 I236 V250 E252 D253	P51-L59 WeakPolarHBondContact O-CD1 3.27Å; P51-V235 HydrophobicContact CB-CG1 4.44Å; P51-V235 HydrophobicContact CG-CG1 3.85Å; P51-I236 WeakPolarHBondContact CD-O 3.43Å; P51-V250 HydrophobicContact CB-CG1 3.99Å; P51-V250 HydrophobicContact CG-CG1 4.02Å; P51-V250 WeakPolarHBondContact CG-O 3.47Å; P51-E252 WeakPolarHBondContact CB-O 3.32Å; P51-D253 WeakPolarHBondContact CA-OD1 3.44Å
52	I	98.9	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-92	119.1	170.4	-58.4	177.2	0	0	0	108	D253 E254 N287 D288 L383 P386 M389	I52-D253 PolarHBondContact N-OD1 3.16Å; I52-E254 PolarHBondContact O-N 3.17Å; I52-N287 HydrophobicContact CG2-CB 3.55Å; I52-D288 WeakPolarHBondContact CA-O 3.29Å; I52-L383 WeakPolarHBondContact CB-O 3.44Å; I52-L383 HydrophobicContact CD1-CB 4.23Å; I52-L383 VanDerWaalsContact CG2-O 3.23Å; I52-L383 WeakPolarHBondContact CG2-O 3.48Å; I52-P386 HydrophobicContact CG1-CG 4.47Å; I52-P386 HydrophobicContact CG2-CG 3.85Å; I52-M389 HydrophobicContact CD1-CE 4.2Å; I52-M389 HydrophobicContact CD1-SD 4.42Å; I52-M389 HydrophobicContact CG1-CE 3.99Å
53	G	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.2	172.4	0	0	0	0	0	110.8	N287 D288	G53-N287 VanDerWaalsContact O-CA 3.29Å; G53-N287 WeakPolarHBondContact O-CA 3.49Å; G53-N287 VanDerWaalsContact O-CB 3.23Å; G53-N287 WeakPolarHBondContact O-CB 3.26Å; G53-N287 PolarHBondContact O-ND2 2.87Å; G53-D288 PolarHBondContact N-O 3.35Å; G53-D288 PolarHBondContact O-N 2.88Å
54	S	98.9	Very high	98.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	158.6	170.3	-67.5	0	0	0	0	111	L56 G57 E254 E255 R258 N287	S54-L56 PolarHBondContact O-N 3.04Å; S54-G57 VanDerWaalsContact O-CA 3.29Å; S54-G57 WeakPolarHBondContact O-CA 3.36Å; S54-G57 PolarHBondContact O-N 3.48Å; S54-E254 WeakPolarHBondContact CB-OE2 3.5Å; S54-E254 PolarHBondContact N-OE2 3.03Å; S54-E255 WeakPolarHBondContact CA-OE2 3.36Å; S54-E255 VanDerWaalsContact CB-OE2 3.31Å; S54-E255 WeakPolarHBondContact CB-OE2 3.12Å; S54-E255 VanDerWaalsContact OG-CD 3.29Å; S54-E255 PolarHBondContact OG-OE2 2.68Å; S54-R258 VanDerWaalsContact CB-NH1 3.26Å; S54-R258 VanDerWaalsContact OG-CD 3.3Å; S54-R258 WeakPolarHBondContact OG-CD 3.31Å; S54-N287 WeakPolarHBondContact CA-ND2 3.23Å
55	F	98.8	Very high	98.8	Very high	79 Å²	79	24.2 Å²	24.2	35%	0.346	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127.1	174.5	-170.4	-123.9	0	0	0	112	G57 M156 I179 L286	F55-G57 PolarHBondContact O-N 2.94Å; F55-G57 VanDerWaalsContact O-N 3.14Å; F55-M156 HydrophobicContact CD2-CB 4.45Å; F55-I179 HydrophobicContact CE2-CD1 3.76Å; F55-I179 HydrophobicContact CZ-CD1 4.04Å; F55-L286 HydrophobicContact CB-CB 4.01Å; F55-L286 VanDerWaalsContact CB-O 3.31Å; F55-L286 WeakPolarHBondContact CB-O 3.36Å; F55-L286 HydrophobicContact CD1-CD1 4.46Å; F55-L286 HydrophobicContact CD2-CB 4.01Å; F55-L286 HydrophobicContact CD2-CD1 4.43Å; F55-L286 HydrophobicContact CG-CB 4.06Å; F55-L286 HydrophobicContact CG-CD1 4.41Å; F55-L286 PolarHBondContact N-O 3.12Å
56	L	98.7	Very high	98.8	Very high	116 Å²	116	28.4 Å²	28.4	61%	0.607	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	26.8	-173.8	-51.4	178.2	0	0	0	112.9	S54 S157	S54-L56 PolarHBondContact O-N 3.04Å; L56-S157 PolarHBondContact N-OG 3.12Å
57	G	98.4	Very high	98.8	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	16%	0.156	C	C	.	.	S	Bend	trans	-103.1	-142.4	-175.8	0	0	0	0	0	112.7	S54 F55 L59 S60	S54-G57 VanDerWaalsContact O-CA 3.29Å; S54-G57 WeakPolarHBondContact O-CA 3.36Å; S54-G57 PolarHBondContact O-N 3.48Å; F55-G57 PolarHBondContact O-N 2.94Å; F55-G57 VanDerWaalsContact O-N 3.14Å; G57-L59 VanDerWaalsContact C-N 3.27Å; G57-L59 PolarHBondContact O-N 3.27Å; G57-L59 VanDerWaalsContact O-N 3.16Å; G57-S60 WeakPolarHBondContact O-CB 3.18Å; G57-S60 PolarHBondContact O-N 3.32Å; G57-S60 PolarHBondContact O-OG 2.86Å
58	S	98.4	Very high	98.8	Very high	38 Å²	38	28.4 Å²	28.4	27%	0.266	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.2	-163.4	69.5	0	0	0	0	115	V250 E254	S58-V250 WeakPolarHBondContact OG-CG1 3.19Å; S58-E254 WeakPolarHBondContact CB-OE2 3.31Å; S58-E254 PolarHBondContact N-OE2 3.17Å; S58-E254 PolarHBondContact OG-OE2 2.9Å
59	L	98.8	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	3.8	-177.9	-62.1	-178.4	0	0	0	113.7	P51 G57 L61 L62 L67 V238 V240 V250 D288	P51-L59 WeakPolarHBondContact O-CD1 3.27Å; G57-L59 VanDerWaalsContact C-N 3.27Å; G57-L59 PolarHBondContact O-N 3.27Å; G57-L59 VanDerWaalsContact O-N 3.16Å; L59-L61 PolarHBondContact O-N 2.99Å; L59-L61 VanDerWaalsContact O-N 3.11Å; L59-L62 HydrophobicContact CD2-CD1 4.34Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 2.97Å; L59-L67 HydrophobicContact CB-CD2 4.43Å; L59-L67 HydrophobicContact CD1-CD2 4.16Å; L59-V238 HydrophobicContact CD2-CB 4.04Å; L59-V238 HydrophobicContact CD2-CG1 3.89Å; L59-V240 HydrophobicContact CD2-CG2 4.12Å; L59-V250 HydrophobicContact CD2-CB 4.02Å; L59-V250 HydrophobicContact CD2-CG1 4.18Å; L59-V250 HydrophobicContact CD2-CG2 3.9Å; L59-V250 HydrophobicContact CG-CG1 4.46Å; L59-D288 HydrophobicContact CB-CB 4.2Å
60	S	98.7	Very high	98.8	Very high	26 Å²	26	29.7 Å²	29.7	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.1	-172.5	58.5	0	0	0	0	114.7	G57 L62 N158	G57-S60 WeakPolarHBondContact O-CB 3.18Å; G57-S60 PolarHBondContact O-N 3.32Å; G57-S60 PolarHBondContact O-OG 2.86Å; S60-L62 PolarHBondContact O-N 2.98Å; S60-N158 PolarHBondContact O-ND2 3.44Å
61	L	98.6	Very high	98.8	Very high	112 Å²	112	29.7 Å²	29.7	59%	0.586	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.6	176	-63.9	179	0	0	0	113.5	L59 V240 V242	L59-L61 PolarHBondContact O-N 2.99Å; L59-L61 VanDerWaalsContact O-N 3.11Å; L61-V240 HydrophobicContact CB-CG1 4.39Å; L61-V240 HydrophobicContact CD1-CG1 4.08Å; L61-V242 HydrophobicContact CD1-CG2 3.38Å
62	L	98.8	Very high	98.8	Very high	27 Å²	27	29.7 Å²	29.7	14%	0.141	16%	0.163	C	C	.	.	S	Bend	trans	-99.8	127.1	-177.3	-59.2	-176.7	0	0	0	110.7	L59 S60 K66 L67 I70 S155 N158 V238 V240	L59-L62 HydrophobicContact CD2-CD1 4.34Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 2.97Å; S60-L62 PolarHBondContact O-N 2.98Å; L62-K66 HydrophobicContact CD2-CG 4.35Å; L62-L67 HydrophobicContact CB-CD2 3.93Å; L62-L67 HydrophobicContact CB-CG 4.13Å; L62-L67 HydrophobicContact CD1-CD2 3.79Å; L62-I70 HydrophobicContact CD1-CD1 4.45Å; L62-S155 PolarHBondContact O-OG 2.93Å; L62-N158 PolarHBondContact O-ND2 3.01Å; L62-V238 HydrophobicContact CD1-CG1 3.48Å; L62-V238 VanDerWaalsContact CD1-CG1 3.48Å; L62-V240 HydrophobicContact CD1-CG2 4.22Å
63	P	98.8	Very high	98.8	Very high	63 Å²	63	32.9 Å²	32.9	41%	0.409	18%	0.178	S	C	.	.			trans	-67.5	155.5	173.2	28.5	-33.8	0	0	0	110.8	T65 K66 L67	P63-T65 PolarHBondContact O-N 2.86Å; P63-T65 VanDerWaalsContact O-N 3.16Å; P63-K66 HydrophobicContact CG-CB 3.82Å; P63-K66 WeakPolarHBondContact O-CB 3.37Å; P63-K66 PolarHBondContact O-N 3.27Å; P63-L67 PolarHBondContact O-N 3.23Å
64	A	98.9	Very high	98.8	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-52.7	-41	-179.4	0	0	0	0	0	112.4	K66 L67 G68 E99 M153	A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 2.96Å; A64-L67 WeakPolarHBondContact O-CB 3.23Å; A64-L67 PolarHBondContact O-N 2.96Å; A64-G68 PolarHBondContact O-N 3.13Å; A64-E99 WeakPolarHBondContact CB-OE1 3.46Å; A64-M153 HydrophobicContact CB-CG 4.39Å
65	T	98.9	Very high	98.8	Very high	13 Å²	13	33 Å²	33	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-32.6	178.6	56.7	0	0	0	0	113.3	P63 S69 P103 Q106 A107 M153	P63-T65 PolarHBondContact O-N 2.86Å; P63-T65 VanDerWaalsContact O-N 3.16Å; T65-S69 PolarHBondContact O-N 3.34Å; T65-S69 PolarHBondContact O-OG 2.78Å; T65-P103 HydrophobicContact CG2-CB 3.87Å; T65-Q106 HydrophobicContact CG2-CB 3.84Å; T65-Q106 HydrophobicContact CG2-CG 4.48Å; T65-A107 WeakPolarHBondContact O-CA 3.18Å; T65-M153 HydrophobicContact CG2-CE 4.07Å
66	K	98.9	Very high	98.8	Very high	95 Å²	95	29.5 Å²	29.5	41%	0.413	16%	0.164	S	C	.	.	H	α-helix	trans	-73.8	-41.8	174.6	-177.6	57.8	177.4	176.5	0	111.4	L62 P63 A64 G68 S69 I70	L62-K66 HydrophobicContact CD2-CG 4.35Å; P63-K66 HydrophobicContact CG-CB 3.82Å; P63-K66 WeakPolarHBondContact O-CB 3.37Å; P63-K66 PolarHBondContact O-N 3.27Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 2.96Å; K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.25Å; K66-S69 WeakPolarHBondContact O-CB 3.3Å; K66-S69 PolarHBondContact O-N 3.06Å; K66-I70 HydrophobicContact CG-CD1 4.34Å; K66-I70 WeakPolarHBondContact O-CG1 3.47Å; K66-I70 PolarHBondContact O-N 3.22Å; K66-I70 VanDerWaalsContact O-N 3.08Å
67	L	98.9	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172.9	-62.1	173.1	0	0	0	110.5	T50 L59 L62 P63 A64 S69 I70 A71 D288 A290	T50-L67 HydrophobicContact CG2-CB 4.45Å; T50-L67 HydrophobicContact CG2-CD2 4.35Å; L59-L67 HydrophobicContact CB-CD2 4.43Å; L59-L67 HydrophobicContact CD1-CD2 4.16Å; L62-L67 HydrophobicContact CB-CD2 3.93Å; L62-L67 HydrophobicContact CB-CG 4.13Å; L62-L67 HydrophobicContact CD1-CD2 3.79Å; P63-L67 PolarHBondContact O-N 3.23Å; A64-L67 WeakPolarHBondContact O-CB 3.23Å; A64-L67 PolarHBondContact O-N 2.96Å; L67-S69 PolarHBondContact O-N 3.08Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-A71 PolarHBondContact O-N 3.06Å; L67-D288 HydrophobicContact CD1-CB 4.05Å; L67-A290 HydrophobicContact CB-CB 3.86Å; L67-A290 WeakPolarHBondContact O-CB 3.42Å
68	G	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-45.4	173.1	0	0	0	0	0	112.8	A64 K66 I70 A71 I72	A64-G68 PolarHBondContact O-N 3.13Å; K66-G68 VanDerWaalsContact C-N 3.31Å; K66-G68 PolarHBondContact O-N 3.25Å; G68-I70 VanDerWaalsContact C-N 3.31Å; G68-I70 PolarHBondContact O-N 2.85Å; G68-A71 PolarHBondContact O-N 2.81Å; G68-I72 WeakPolarHBondContact O-CB 3.31Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.17Å
69	S	98.9	Very high	98.8	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-45.4	175.8	-55	0	0	0	0	112.1	T65 K66 L67 I72 Q73 A107 G110 A111	T65-S69 PolarHBondContact O-N 3.34Å; T65-S69 PolarHBondContact O-OG 2.78Å; K66-S69 WeakPolarHBondContact O-CB 3.3Å; K66-S69 PolarHBondContact O-N 3.06Å; L67-S69 PolarHBondContact O-N 3.08Å; S69-I72 PolarHBondContact O-N 2.95Å; S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.35Å; S69-Q73 PolarHBondContact O-N 3.13Å; S69-A107 WeakPolarHBondContact CA-O 3.31Å; S69-A107 WeakPolarHBondContact OG-CA 3.43Å; S69-A107 PolarHBondContact OG-O 2.87Å; S69-A107 VanDerWaalsContact OG-O 3.1Å; S69-G110 WeakPolarHBondContact OG-CA 3.27Å; S69-A111 WeakPolarHBondContact O-CB 3.21Å
70	I	98.9	Very high	98.8	Very high	29 Å²	29	35.5 Å²	35.5	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-47.8	-178.9	-66	161	0	0	0	110.3	T50 L62 K66 L67 G68 Q73 G74 I236 V238	T50-I70 HydrophobicContact CG2-CB 4.32Å; T50-I70 HydrophobicContact CG2-CG2 4.15Å; L62-I70 HydrophobicContact CD1-CD1 4.45Å; K66-I70 HydrophobicContact CG-CD1 4.34Å; K66-I70 WeakPolarHBondContact O-CG1 3.47Å; K66-I70 PolarHBondContact O-N 3.22Å; K66-I70 VanDerWaalsContact O-N 3.08Å; L67-I70 PolarHBondContact O-N 3.43Å; G68-I70 VanDerWaalsContact C-N 3.31Å; G68-I70 PolarHBondContact O-N 2.85Å; I70-Q73 PolarHBondContact O-N 2.97Å; I70-G74 PolarHBondContact O-N 3.34Å; I70-I236 HydrophobicContact CG2-CD1 3.62Å; I70-I236 HydrophobicContact CG2-CG1 4.19Å; I70-I236 WeakPolarHBondContact O-CD1 3.43Å; I70-V238 HydrophobicContact CD1-CG1 3.89Å; I70-V238 HydrophobicContact CD1-CG2 4.29Å; I70-V238 HydrophobicContact CG2-CG2 4.16Å
71	A	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-44.5	178.2	0	0	0	0	0	112.4	L67 G68 G74 A75 A290 A292	L67-A71 PolarHBondContact O-N 3.06Å; G68-A71 PolarHBondContact O-N 2.81Å; A71-G74 PolarHBondContact O-N 3.48Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.87Å; A71-A290 HydrophobicContact CB-CB 3.88Å; A71-A292 HydrophobicContact CB-CB 4.1Å
72	I	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-48	176.8	-68.9	168.5	0	0	0	110.5	G68 S69 A75 I76 M91 A107 V108 A111 L113 V149 A292	G68-I72 WeakPolarHBondContact O-CB 3.31Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.17Å; S69-I72 PolarHBondContact O-N 2.95Å; I72-A75 PolarHBondContact O-N 2.89Å; I72-I76 HydrophobicContact CG2-CD1 3.9Å; I72-I76 WeakPolarHBondContact O-CG1 3.41Å; I72-I76 PolarHBondContact O-N 3.04Å; I72-M91 HydrophobicContact CD1-CE 4.42Å; I72-M91 HydrophobicContact CD1-CG 4.33Å; I72-M91 HydrophobicContact CD1-SD 4.1Å; I72-M91 HydrophobicContact CG1-CE 4.47Å; I72-M91 HydrophobicContact CG1-SD 4.26Å; I72-A107 HydrophobicContact CD1-CB 3.92Å; I72-V108 HydrophobicContact CD1-CG2 4.05Å; I72-A111 HydrophobicContact CB-CB 3.95Å; I72-A111 HydrophobicContact CG2-CB 3.68Å; I72-L113 HydrophobicContact CG2-CD1 3.81Å; I72-L113 HydrophobicContact CG2-CD2 4.4Å; I72-V149 HydrophobicContact CG1-CG1 4Å; I72-V149 HydrophobicContact CG2-CG1 4.3Å; I72-A292 HydrophobicContact CG1-CB 3.96Å
73	Q	98.9	Very high	98.8	Very high	68 Å²	68	34.4 Å²	34.4	32%	0.318	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-51.3	179.1	177.1	175.3	-10.8	0	0	110.9	S69 I70 A75 I76 E77 A111	S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.35Å; S69-Q73 PolarHBondContact O-N 3.13Å; I70-Q73 PolarHBondContact O-N 2.97Å; Q73-A75 VanDerWaalsContact C-N 3.3Å; Q73-A75 PolarHBondContact O-N 3.36Å; Q73-I76 PolarHBondContact O-N 3.31Å; Q73-E77 HydrophobicContact CG-CG 4.43Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.42Å; Q73-E77 PolarHBondContact NE2-OE1 2.75Å; Q73-E77 WeakPolarHBondContact O-CG 3.29Å; Q73-E77 PolarHBondContact O-N 3.49Å; Q73-A111 HydrophobicContact CB-CB 4.24Å
74	G	98.8	Very high	98.8	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-28.7	-179.9	0	0	0	0	0	113.6	T48 I70 A71 K78	T48-G74 PolarHBondContact OG1-O 3.5Å; I70-G74 PolarHBondContact O-N 3.34Å; A71-G74 PolarHBondContact O-N 3.48Å; G74-K78 WeakPolarHBondContact O-CB 3.31Å; G74-K78 PolarHBondContact O-N 2.94Å
75	A	98.9	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-44.9	172.4	0	0	0	0	0	111.4	S46 T48 A71 I72 Q73 K78 A79 A292 V294	S46-A75 WeakPolarHBondContact CB-O 3.43Å; S46-A75 PolarHBondContact OG-O 2.86Å; T48-A75 WeakPolarHBondContact OG1-CA 3.16Å; T48-A75 PolarHBondContact OG1-N 3.46Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.87Å; I72-A75 PolarHBondContact O-N 2.89Å; Q73-A75 VanDerWaalsContact C-N 3.3Å; Q73-A75 PolarHBondContact O-N 3.36Å; A75-K78 PolarHBondContact O-N 3.23Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 2.84Å; A75-A292 HydrophobicContact CB-CB 4.05Å; A75-A292 WeakPolarHBondContact CB-O 3.38Å; A75-V294 HydrophobicContact CB-CG2 4.14Å
76	I	98.9	Very high	98.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-44.2	178.8	-66.4	166.2	0	0	0	111.3	I72 Q73 K78 A79 G80 I81 K83 V86 L113 V149 V294	I72-I76 HydrophobicContact CG2-CD1 3.9Å; I72-I76 WeakPolarHBondContact O-CG1 3.41Å; I72-I76 PolarHBondContact O-N 3.04Å; Q73-I76 PolarHBondContact O-N 3.31Å; I76-K78 VanDerWaalsContact C-N 3.33Å; I76-K78 PolarHBondContact O-N 3.39Å; I76-A79 PolarHBondContact O-N 2.92Å; I76-G80 PolarHBondContact O-N 3.37Å; I76-G80 VanDerWaalsContact O-N 3.09Å; I76-I81 HydrophobicContact CG2-CG1 4.12Å; I76-I81 WeakPolarHBondContact CG2-O 3.48Å; I76-K83 HydrophobicContact CD1-CG 4.43Å; I76-K83 HydrophobicContact CG2-CG 4.02Å; I76-V86 HydrophobicContact CD1-CG2 3.88Å; I76-V86 HydrophobicContact CG1-CG2 4.13Å; I76-L113 HydrophobicContact CD1-CD1 3.56Å; I76-L113 HydrophobicContact CD1-CD2 3.94Å; I76-L113 HydrophobicContact CD1-CG 3.96Å; I76-V149 HydrophobicContact CD1-CG2 4.35Å; I76-V149 HydrophobicContact CG1-CG2 4.27Å; I76-V294 HydrophobicContact CG1-CG2 4.08Å
77	E	98.8	Very high	98.8	Very high	121 Å²	121	37 Å²	37	57%	0.565	20%	0.196	S	C	*	.	H	α-helix	trans	-58.9	-44.9	176	-73	171	-175.9	0	0	111.2	Q73 A79 G80	Q73-E77 HydrophobicContact CG-CG 4.43Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.42Å; Q73-E77 PolarHBondContact NE2-OE1 2.75Å; Q73-E77 WeakPolarHBondContact O-CG 3.29Å; Q73-E77 PolarHBondContact O-N 3.49Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.28Å; E77-G80 PolarHBondContact O-N 2.95Å; E77-G80 VanDerWaalsContact O-N 3.15Å
78	K	98.6	Very high	98.8	Very high	107 Å²	107	38.2 Å²	38.2	47%	0.465	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-27.8	178.2	-156.7	75.5	169	-175.4	0	112.9	G74 A75 I76 G80 N233	G74-K78 WeakPolarHBondContact O-CB 3.31Å; G74-K78 PolarHBondContact O-N 2.94Å; A75-K78 PolarHBondContact O-N 3.23Å; I76-K78 VanDerWaalsContact C-N 3.33Å; I76-K78 PolarHBondContact O-N 3.39Å; K78-G80 VanDerWaalsContact C-N 3.29Å; K78-N233 PolarHBondContact NZ-OD1 3.38Å
79	A	98.7	Very high	98.8	Very high	9 Å²	9	38.2 Å²	38.2	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-73.5	-21.2	172.8	0	0	0	0	0	112.8	V45 A75 I76 E77 I81 V294	V45-A79 HydrophobicContact CG1-CB 3.91Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 2.84Å; I76-A79 PolarHBondContact O-N 2.92Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.28Å; A79-I81 HydrophobicContact CB-CG1 4.17Å; A79-V294 HydrophobicContact CB-CB 4.04Å; A79-V294 HydrophobicContact CB-CG1 4.14Å; A79-V294 HydrophobicContact CB-CG2 3.92Å
80	G	98.5	Very high	98.8	Very high	61 Å²	61	39.4 Å²	39.4	63%	0.629	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	32.4	-179.2	0	0	0	0	0	113.7	I76 E77 K78	I76-G80 PolarHBondContact O-N 3.37Å; I76-G80 VanDerWaalsContact O-N 3.09Å; E77-G80 PolarHBondContact O-N 2.95Å; E77-G80 VanDerWaalsContact O-N 3.15Å; K78-G80 VanDerWaalsContact C-N 3.29Å
81	I	98.8	Very high	98.8	Very high	14 Å²	14	38 Å²	38	7%	0.072	20%	0.199	C	C	.	.			trans	-113.8	153	179	65.8	171.7	0	0	0	112.1	I76 A79 E85 V86 V147 V294 M296 L304 V306	I76-I81 HydrophobicContact CG2-CG1 4.12Å; I76-I81 WeakPolarHBondContact CG2-O 3.48Å; A79-I81 HydrophobicContact CB-CG1 4.17Å; I81-E85 HydrophobicContact CD1-CB 4.35Å; I81-V86 HydrophobicContact CD1-CG2 4.43Å; I81-V147 HydrophobicContact CD1-CG1 3.94Å; I81-V294 HydrophobicContact CD1-CG1 3.74Å; I81-M296 HydrophobicContact CD1-CE 4.22Å; I81-M296 HydrophobicContact CG2-CE 4.42Å; I81-L304 HydrophobicContact CG2-CD1 4.1Å; I81-V306 HydrophobicContact CG2-CG1 3.7Å
82	P	98.6	Very high	98.8	Very high	71 Å²	71	38 Å²	38	46%	0.461	20%	0.199	S	C	.	.			trans	-59.3	144.3	168.5	-20.6	32.2	0	0	0	111.6	E84 E85	P82-E84 VanDerWaalsContact CB-OE2 3.29Å; P82-E84 WeakPolarHBondContact CB-OE2 3.29Å; P82-E84 PolarHBondContact O-N 3.36Å; P82-E85 HydrophobicContact CB-CG 4.29Å; P82-E85 HydrophobicContact CG-CG 4.25Å; P82-E85 WeakPolarHBondContact O-CB 3.35Å; P82-E85 PolarHBondContact O-N 3.01Å
83	K	98.8	Very high	98.8	Very high	57 Å²	57	38 Å²	38	25%	0.248	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.7	-29.9	178.1	-71	-177.7	-177.1	-178.6	0	111.7	I76 E85 V86 A111 G112 L113	I76-K83 HydrophobicContact CD1-CG 4.43Å; I76-K83 HydrophobicContact CG2-CG 4.02Å; K83-E85 PolarHBondContact O-N 3.26Å; K83-V86 PolarHBondContact O-N 3.2Å; K83-V86 VanDerWaalsContact O-N 3.12Å; K83-A111 WeakPolarHBondContact CE-O 3.49Å; K83-A111 PolarHBondContact NZ-O 3.37Å; K83-G112 VanDerWaalsContact CD-O 3.3Å; K83-G112 WeakPolarHBondContact CD-O 3.26Å; K83-L113 HydrophobicContact CB-CG 4.4Å; K83-L113 HydrophobicContact CD-CD1 4.45Å
84	E	98.7	Very high	98.8	Very high	127 Å²	127	35.3 Å²	35.3	59%	0.593	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-66.2	-17.6	177.1	-57.1	69.4	-152.2	0	0	112.7	P82 V86 K87 P114	P82-E84 VanDerWaalsContact CB-OE2 3.29Å; P82-E84 WeakPolarHBondContact CB-OE2 3.29Å; P82-E84 PolarHBondContact O-N 3.36Å; E84-V86 VanDerWaalsContact C-N 3.29Å; E84-K87 PolarHBondContact O-NZ 2.96Å; E84-P114 HydrophobicContact CB-CG 4.33Å; E84-P114 HydrophobicContact CG-CG 4.05Å
85	E	98.8	Very high	98.8	Very high	38 Å²	38	35.3 Å²	35.3	18%	0.178	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-74	-21.6	174	-73.6	-68.5	-179.3	0	0	112.5	I81 P82 K83 K87 V147 R303 L304	I81-E85 HydrophobicContact CD1-CB 4.35Å; P82-E85 HydrophobicContact CB-CG 4.29Å; P82-E85 HydrophobicContact CG-CG 4.25Å; P82-E85 WeakPolarHBondContact O-CB 3.35Å; P82-E85 PolarHBondContact O-N 3.01Å; K83-E85 PolarHBondContact O-N 3.26Å; E85-K87 VanDerWaalsContact C-NZ 3.29Å; E85-K87 VanDerWaalsContact CA-NZ 3.3Å; E85-K87 PolarHBondContact O-N 2.95Å; E85-K87 PolarHBondContact O-NZ 3.34Å; E85-K87 IonicContact OE2-NZ 3.77Å; E85-K87 PolarHBondContact OE2-NZ 3.11Å; E85-V147 VanDerWaalsContact O-CB 3.31Å; E85-V147 WeakPolarHBondContact O-CB 3.39Å; E85-R303 IonicContact OE1-CZ 3.78Å; E85-R303 IonicContact OE1-NH1 2.84Å; E85-R303 PolarHBondContact OE1-NH1 3.38Å; E85-R303 IonicContact OE1-NH2 2.72Å; E85-R303 IonicContact OE2-CZ 3.58Å; E85-R303 IonicContact OE2-NH1 3.39Å; E85-R303 PolarHBondContact OE2-NH1 3.34Å; E85-R303 IonicContact OE2-NH2 3.63Å; E85-R303 PolarHBondContact OE2-NH2 3.42Å; E85-L304 HydrophobicContact CB-CD1 4.28Å; E85-L304 HydrophobicContact CG-CD1 4.19Å; E85-L304 HydrophobicContact CG-CD2 3.73Å; E85-L304 WeakPolarHBondContact OE1-CD2 3.44Å
86	V	98.9	Very high	98.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.202	C	C	.	.			trans	-74.4	113.8	177.6	-178.4	0	0	0	0	110.8	I76 I81 K83 E84 L113 T117 V149	I76-V86 HydrophobicContact CD1-CG2 3.88Å; I76-V86 HydrophobicContact CG1-CG2 4.13Å; I81-V86 HydrophobicContact CD1-CG2 4.43Å; K83-V86 PolarHBondContact O-N 3.2Å; K83-V86 VanDerWaalsContact O-N 3.12Å; E84-V86 VanDerWaalsContact C-N 3.29Å; V86-L113 HydrophobicContact CB-CD2 3.79Å; V86-L113 HydrophobicContact CG1-CD2 3.71Å; V86-L113 HydrophobicContact CG2-CD2 4.17Å; V86-T117 HydrophobicContact CG1-CG2 4.19Å; V86-T117 PolarHBondContact O-OG1 3.15Å; V86-V149 HydrophobicContact CB-CG2 4.44Å; V86-V149 HydrophobicContact CG1-CB 4.17Å; V86-V149 HydrophobicContact CG1-CG2 3.69Å; V86-V149 HydrophobicContact CG2-CG2 3.84Å
87	K	98.9	Very high	98.8	Very high	60 Å²	60	40.1 Å²	40.1	26%	0.261	22%	0.216	S	C	.	.			trans	-86.8	-32.7	-174.6	-53.5	-61.8	179.9	-94.4	0	113.4	E84 E85 P118 Q145 D146 V147	E84-K87 PolarHBondContact O-NZ 2.96Å; E85-K87 VanDerWaalsContact C-NZ 3.29Å; E85-K87 VanDerWaalsContact CA-NZ 3.3Å; E85-K87 PolarHBondContact O-N 2.95Å; E85-K87 PolarHBondContact O-NZ 3.34Å; E85-K87 IonicContact OE2-NZ 3.77Å; E85-K87 PolarHBondContact OE2-NZ 3.11Å; K87-P118 WeakPolarHBondContact O-CD 3.46Å; K87-Q145 HydrophobicContact CB-CB 4.29Å; K87-Q145 HydrophobicContact CB-CG 4.34Å; K87-D146 WeakPolarHBondContact CE-OD1 3.11Å; K87-D146 VanDerWaalsContact CG-OD1 3.3Å; K87-D146 WeakPolarHBondContact CG-OD1 3.39Å; K87-V147 WeakPolarHBondContact CB-O 3.37Å; K87-V147 PolarHBondContact N-O 2.79Å
88	E	98.9	Very high	98.8	Very high	25 Å²	25	38.1 Å²	38.1	12%	0.117	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.4	-177.2	-174.4	171.8	-179.3	0	0	110.6	Y90 P118 Q145 M148 V149	E88-Y90 HydrophobicContact CG-CE1 3.99Å; E88-Y90 WeakPolarHBondContact OE1-CE1 3.48Å; E88-Y90 VanDerWaalsContact OE1-CZ 3.29Å; E88-Y90 PolarHBondContact OE1-OH 3.45Å; E88-P118 HydrophobicContact CG-CB 4.22Å; E88-Q145 HydrophobicContact CB-CG 4.17Å; E88-Q145 WeakPolarHBondContact OE2-CG 3.44Å; E88-Q145 PolarHBondContact OE2-NE2 2.9Å; E88-M148 HydrophobicContact CB-CE 3.76Å; E88-M148 HydrophobicContact CB-CG 4.24Å; E88-M148 HydrophobicContact CG-CE 3.72Å; E88-M148 VanDerWaalsContact O-CA 3.27Å; E88-M148 WeakPolarHBondContact O-CA 3.41Å; E88-M148 WeakPolarHBondContact O-CB 3.29Å; E88-V149 PolarHBondContact O-N 3.47Å
89	A	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.4	-178	0	0	0	0	0	114.4	V108 P118 C119 T120 V149	A89-V108 HydrophobicContact CB-CG2 3.48Å; A89-V108 VanDerWaalsContact CB-CG2 3.48Å; A89-P118 PolarHBondContact N-O 3.45Å; A89-C119 WeakPolarHBondContact O-CA 3.41Å; A89-T120 PolarHBondContact O-N 2.93Å; A89-V149 CarbonylContact C-O 3.51Å; A89-V149 WeakPolarHBondContact CA-O 3.33Å; A89-V149 HydrophobicContact CB-CB 4.3Å
90	Y	99	Very high	98.8	Very high	30 Å²	30	36.7 Å²	36.7	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.5	173.1	-63.5	-20.3	0	0	0	111.3	E88 T120 M135 A136 M148 V149 A150 G151	E88-Y90 HydrophobicContact CG-CE1 3.99Å; E88-Y90 WeakPolarHBondContact OE1-CE1 3.48Å; E88-Y90 VanDerWaalsContact OE1-CZ 3.29Å; E88-Y90 PolarHBondContact OE1-OH 3.45Å; Y90-T120 WeakPolarHBondContact CA-O 3.47Å; Y90-M135 HydrophobicContact CD2-CB 3.89Å; Y90-M135 HydrophobicContact CE2-CB 3.97Å; Y90-A136 HydrophobicContact CD2-CB 3.96Å; Y90-A136 HydrophobicContact CE2-CB 4.5Å; Y90-M148 HydrophobicContact CD2-CE 4.04Å; Y90-M148 HydrophobicContact CE1-CE 4.24Å; Y90-M148 HydrophobicContact CE2-CE 3.74Å; Y90-M148 HydrophobicContact CG-CE 4.41Å; Y90-V149 PolarHBondContact N-O 3.3Å; Y90-A150 CarbonylContact O-C 3.57Å; Y90-A150 VanDerWaalsContact O-CA 3.27Å; Y90-A150 WeakPolarHBondContact O-CA 3.4Å; Y90-G151 PolarHBondContact O-N 3.41Å
91	M	98.9	Very high	98.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.7	177.9	-65.7	-62.1	-70.2	0	0	110.5	I72 A104 T120 T121 I122 M153	I72-M91 HydrophobicContact CD1-CE 4.42Å; I72-M91 HydrophobicContact CD1-CG 4.33Å; I72-M91 HydrophobicContact CD1-SD 4.1Å; I72-M91 HydrophobicContact CG1-CE 4.47Å; I72-M91 HydrophobicContact CG1-SD 4.26Å; M91-A104 HydrophobicContact CB-CB 3.91Å; M91-A104 HydrophobicContact CG-CB 4.26Å; M91-T120 PolarHBondContact N-O 3.18Å; M91-T120 VanDerWaalsContact N-O 3.14Å; M91-T121 WeakPolarHBondContact O-CA 3.3Å; M91-I122 PolarHBondContact O-N 3.32Å; M91-M153 HydrophobicContact CE-CB 4.29Å; M91-M153 HydrophobicContact CE-CG 4.38Å; M91-M153 HydrophobicContact CE-SD 4.21Å
92	G	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.3	169.8	0	0	0	0	0	111.8	I122 G151 G152 M153	G92-I122 CarbonylContact C-O 3.57Å; G92-I122 VanDerWaalsContact CA-O 3.3Å; G92-I122 WeakPolarHBondContact CA-O 3.49Å; G92-G151 PolarHBondContact N-O 3.45Å; G92-G152 CarbonylContact O-C 3.59Å; G92-G152 WeakPolarHBondContact O-CA 3.3Å; G92-M153 PolarHBondContact O-N 3.44Å
93	N	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.243	C	C	.	.			trans	-162.2	120.7	179.1	158.3	-137.9	0	0	0	108.9	Q96 E99 P103 T121 I122 M153 E154	N93-Q96 WeakPolarHBondContact O-CG 3.2Å; N93-Q96 PolarHBondContact O-NE2 3.09Å; N93-Q96 WeakPolarHBondContact OD1-CG 3.32Å; N93-E99 PolarHBondContact ND2-OE1 3.15Å; N93-E99 PolarHBondContact OD1-OE2 3.01Å; N93-P103 WeakPolarHBondContact OD1-CB 3.39Å; N93-T121 HydrophobicContact CB-CG2 3.9Å; N93-I122 PolarHBondContact N-O 3.47Å; N93-M153 WeakPolarHBondContact CA-O 3.29Å; N93-M153 HydrophobicContact CB-CE 4.24Å; N93-M153 HydrophobicContact CB-CG 4.05Å; N93-M153 WeakPolarHBondContact CB-O 3.29Å; N93-E154 PolarHBondContact ND2-OE1 3.48Å
94	V	98.9	Very high	98.8	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-90.5	-49.5	-165.7	-176.8	0	0	0	0	110.8	Q96 N123 V125 E154 I387	V94-Q96 PolarHBondContact O-N 3.43Å; V94-N123 PolarHBondContact O-ND2 2.93Å; V94-N123 VanDerWaalsContact O-ND2 3.17Å; V94-V125 HydrophobicContact CG1-CG1 4.29Å; V94-V125 WeakPolarHBondContact CG2-O 3.44Å; V94-E154 WeakPolarHBondContact CB-OE2 3.48Å; V94-E154 WeakPolarHBondContact CG2-OE2 3.5Å; V94-E154 PolarHBondContact N-OE1 3.16Å; V94-E154 PolarHBondContact N-OE2 2.71Å; V94-I387 HydrophobicContact CB-CD1 3.71Å; V94-I387 HydrophobicContact CB-CG1 3.91Å; V94-I387 HydrophobicContact CG1-CD1 3.74Å; V94-I387 HydrophobicContact CG1-CG1 4.45Å; V94-I387 HydrophobicContact CG2-CB 4.46Å; V94-I387 HydrophobicContact CG2-CD1 4.01Å; V94-I387 HydrophobicContact CG2-CG1 3.82Å
95	L	98.8	Very high	98.8	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	22%	0.215	C	C	.	.			trans	-100.2	67.7	-169.4	-64.6	170.6	0	0	0	110.8	G97 E154 M156 V159 L178 I179 D182 I387	L95-G97 PolarHBondContact O-N 3Å; L95-G97 VanDerWaalsContact O-N 3.14Å; L95-E154 PolarHBondContact N-OE1 2.73Å; L95-E154 VanDerWaalsContact N-OE1 3.08Å; L95-M156 HydrophobicContact CD1-CE 4.48Å; L95-V159 HydrophobicContact CB-CG1 4.3Å; L95-V159 HydrophobicContact CB-CG2 3.66Å; L95-V159 HydrophobicContact CD1-CB 4.5Å; L95-V159 HydrophobicContact CD1-CG1 4.16Å; L95-V159 HydrophobicContact CD1-CG2 3.68Å; L95-V159 HydrophobicContact CG-CG2 4.29Å; L95-L178 WeakPolarHBondContact CD2-O 3.41Å; L95-I179 HydrophobicContact CD1-CG1 4.26Å; L95-D182 HydrophobicContact CD2-CB 3.79Å; L95-I387 HydrophobicContact CD1-CD1 4.03Å; L95-I387 HydrophobicContact CG-CD1 4.21Å
96	Q	98.8	Very high	98.8	Very high	74 Å²	74	37 Å²	37	35%	0.346	22%	0.222	S	C	.	.			trans	-73.3	-4.9	-170.2	-59	171.1	22.2	0	0	114.5	N93 V94 G98 E99 T121	N93-Q96 WeakPolarHBondContact O-CG 3.2Å; N93-Q96 PolarHBondContact O-NE2 3.09Å; N93-Q96 WeakPolarHBondContact OD1-CG 3.32Å; V94-Q96 PolarHBondContact O-N 3.43Å; Q96-G98 PolarHBondContact O-N 3.09Å; Q96-E99 PolarHBondContact O-N 3.14Å; Q96-T121 HydrophobicContact CG-CG2 4.3Å
97	G	98.6	Very high	98.8	Very high	31 Å²	31	36.9 Å²	36.9	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	125.2	-176.3	0	0	0	0	0	111.9	L95 E99 P160	L95-G97 PolarHBondContact O-N 3Å; L95-G97 VanDerWaalsContact O-N 3.14Å; G97-E99 VanDerWaalsContact C-N 3.29Å; G97-E99 PolarHBondContact O-N 2.8Å; G97-P160 WeakPolarHBondContact O-CD 3.44Å; G97-P160 WeakPolarHBondContact O-CG 3.4Å
98	G	98.4	Very high	98.8	Very high	79 Å²	79	34 Å²	34	81%	0.814	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-5.4	176.7	0	0	0	0	0	115.5	Q96 G100	Q96-G98 PolarHBondContact O-N 3.09Å; G98-G100 PolarHBondContact O-N 3.03Å
99	E	98.8	Very high	98.8	Very high	34 Å²	34	36.2 Å²	36.2	16%	0.159	22%	0.221	C	C	.	.	S	Bend	trans	-75.1	-8	179.8	-62	-171.6	173.5	0	0	114	A64 N93 Q96 G97 P103 Q106	A64-E99 WeakPolarHBondContact CB-OE1 3.46Å; N93-E99 PolarHBondContact ND2-OE1 3.15Å; N93-E99 PolarHBondContact OD1-OE2 3.01Å; Q96-E99 PolarHBondContact O-N 3.14Å; G97-E99 VanDerWaalsContact C-N 3.29Å; G97-E99 PolarHBondContact O-N 2.8Å; E99-P103 HydrophobicContact CB-CG 4.09Å; E99-P103 WeakPolarHBondContact OE2-CB 3.5Å; E99-P103 VanDerWaalsContact OE2-CG 3.25Å; E99-P103 WeakPolarHBondContact OE2-CG 2.81Å; E99-Q106 PolarHBondContact O-NE2 3.26Å; E99-Q106 PolarHBondContact O-OE1 3.38Å
100	G	98.6	Very high	98.8	Very high	52 Å²	52	38.3 Å²	38.3	54%	0.536	24%	0.242	S	C	.	.			trans	87.2	-175.4	-173.5	0	0	0	0	0	113.4	G98	G98-G100 PolarHBondContact O-N 3.03Å
101	Q	98.6	Very high	98.8	Very high	182 Å²	182	37 Å²	37	85%	0.85	24%	0.237	S	C	*	.	S	Bend	trans	-72.1	136.4	-174.6	-169.6	179.3	41.1	0	0	111.5	Q106	Q101-Q106 PolarHBondContact O-NE2 3.46Å
102	A	98.6	Very high	98.8	Very high	50 Å²	50	39.1 Å²	39.1	41%	0.413	26%	0.259	S	S	.	.			trans	49.2	69.8	172.8	0	0	0	0	0	114.5	A104 R105 Q106	A102-A104 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 2.95Å; A102-R105 HydrophobicContact CB-CB 3.77Å; A102-R105 WeakPolarHBondContact O-CA 3.22Å; A102-R105 VanDerWaalsContact O-CB 3.28Å; A102-R105 WeakPolarHBondContact O-CB 3.27Å; A102-R105 PolarHBondContact O-N 3.33Å; A102-Q106 PolarHBondContact O-N 3.15Å; A102-Q106 VanDerWaalsContact O-N 3.09Å
103	P	98.9	Very high	98.8	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.045	26%	0.261	C	S	.	.	H	α-helix	trans	-50.6	-44.7	-176.7	-31.4	36.7	0	0	0	115.3	T65 N93 E99 R105 Q106 A107 T121 M153	T65-P103 HydrophobicContact CG2-CB 3.87Å; N93-P103 WeakPolarHBondContact OD1-CB 3.39Å; E99-P103 HydrophobicContact CB-CG 4.09Å; E99-P103 WeakPolarHBondContact OE2-CB 3.5Å; E99-P103 VanDerWaalsContact OE2-CG 3.25Å; E99-P103 WeakPolarHBondContact OE2-CG 2.81Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.44Å; P103-Q106 WeakPolarHBondContact O-CB 3.19Å; P103-Q106 PolarHBondContact O-N 3.36Å; P103-Q106 VanDerWaalsContact O-N 3.15Å; P103-A107 PolarHBondContact O-N 3.43Å; P103-T121 HydrophobicContact CB-CG2 4.44Å; P103-M153 HydrophobicContact CB-CE 3.65Å
104	A	98.9	Very high	98.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-37.1	176.7	0	0	0	0	0	112.3	M91 A102 A107 V108 C119 T121	M91-A104 HydrophobicContact CB-CB 3.91Å; M91-A104 HydrophobicContact CG-CB 4.26Å; A102-A104 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 2.95Å; A104-A107 PolarHBondContact O-N 2.83Å; A104-V108 VanDerWaalsContact O-CG2 3.27Å; A104-V108 WeakPolarHBondContact O-CG2 3.34Å; A104-V108 PolarHBondContact O-N 2.87Å; A104-C119 HydrophobicContact CB-CB 4.23Å; A104-T121 WeakPolarHBondContact CB-OG1 3.39Å; A104-T121 PolarHBondContact N-OG1 3.4Å; A104-T121 VanDerWaalsContact N-OG1 3.11Å
105	R	98.9	Very high	98.8	Very high	68 Å²	68	47 Å²	47	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-68.6	-39.8	177.2	-177.2	62	172.9	-175.8	-2.4	111.7	A102 P103 A107 V108 L109 I115 T117 C119	A102-R105 HydrophobicContact CB-CB 3.77Å; A102-R105 WeakPolarHBondContact O-CA 3.22Å; A102-R105 VanDerWaalsContact O-CB 3.28Å; A102-R105 WeakPolarHBondContact O-CB 3.27Å; A102-R105 PolarHBondContact O-N 3.33Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.44Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 3.02Å; R105-V108 PolarHBondContact O-N 3.25Å; R105-L109 HydrophobicContact CG-CD1 4.16Å; R105-L109 HydrophobicContact CG-CG 4.43Å; R105-L109 WeakPolarHBondContact O-CB 3.47Å; R105-L109 WeakPolarHBondContact O-CG 3.37Å; R105-L109 PolarHBondContact O-N 2.9Å; R105-I115 PolarHBondContact NH1-O 2.95Å; R105-I115 PolarHBondContact NH2-O 3.32Å; R105-T117 PolarHBondContact NH1-O 3.44Å; R105-C119 HydrophobicContact CB-CB 3.9Å; R105-C119 WeakPolarHBondContact CD-SG 3.44Å
106	Q	98.9	Very high	98.8	Very high	67 Å²	67	51.3 Å²	51.3	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-43.4	173.6	-63.4	-179.5	48.8	0	0	111.3	T65 E99 Q101 A102 P103 G110	T65-Q106 HydrophobicContact CG2-CB 3.84Å; T65-Q106 HydrophobicContact CG2-CG 4.48Å; E99-Q106 PolarHBondContact O-NE2 3.26Å; E99-Q106 PolarHBondContact O-OE1 3.38Å; Q101-Q106 PolarHBondContact O-NE2 3.46Å; A102-Q106 PolarHBondContact O-N 3.15Å; A102-Q106 VanDerWaalsContact O-N 3.09Å; P103-Q106 WeakPolarHBondContact O-CB 3.19Å; P103-Q106 PolarHBondContact O-N 3.36Å; P103-Q106 VanDerWaalsContact O-N 3.15Å; Q106-G110 WeakPolarHBondContact O-CA 3.32Å; Q106-G110 PolarHBondContact O-N 2.89Å
107	A	98.9	Very high	98.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-44.3	177.8	0	0	0	0	0	112.7	T65 S69 I72 P103 A104 R105 G110 A111 M153	T65-A107 WeakPolarHBondContact O-CA 3.18Å; S69-A107 WeakPolarHBondContact CA-O 3.31Å; S69-A107 WeakPolarHBondContact OG-CA 3.43Å; S69-A107 PolarHBondContact OG-O 2.87Å; S69-A107 VanDerWaalsContact OG-O 3.1Å; I72-A107 HydrophobicContact CD1-CB 3.92Å; P103-A107 PolarHBondContact O-N 3.43Å; A104-A107 PolarHBondContact O-N 2.83Å; R105-A107 VanDerWaalsContact C-N 3.32Å; R105-A107 PolarHBondContact O-N 3.02Å; A107-G110 PolarHBondContact O-N 3.43Å; A107-A111 WeakPolarHBondContact O-CB 3.43Å; A107-A111 PolarHBondContact O-N 2.81Å; A107-M153 HydrophobicContact CB-CE 4.38Å; A107-M153 HydrophobicContact CB-SD 3.92Å
108	V	98.9	Very high	98.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-48.2	179.2	165.5	0	0	0	0	111.8	I72 A89 A104 R105 G110 A111 G112 L113 T117	I72-V108 HydrophobicContact CD1-CG2 4.05Å; A89-V108 HydrophobicContact CB-CG2 3.48Å; A89-V108 VanDerWaalsContact CB-CG2 3.48Å; A104-V108 VanDerWaalsContact O-CG2 3.27Å; A104-V108 WeakPolarHBondContact O-CG2 3.34Å; A104-V108 PolarHBondContact O-N 2.87Å; R105-V108 PolarHBondContact O-N 3.25Å; V108-G110 VanDerWaalsContact C-N 3.35Å; V108-A111 PolarHBondContact O-N 2.96Å; V108-G112 PolarHBondContact O-N 3.19Å; V108-L113 HydrophobicContact CG1-CB 3.71Å; V108-L113 HydrophobicContact CG1-CD2 3.96Å; V108-L113 HydrophobicContact CG1-CG 4.37Å; V108-L113 PolarHBondContact O-N 3.01Å; V108-T117 HydrophobicContact CG1-CG2 4.03Å
109	L	98.9	Very high	98.8	Very high	71 Å²	71	47.2 Å²	47.2	37%	0.372	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-35.9	177.5	-64.9	-177.5	0	0	0	111.7	R105 A111 G112 I115	R105-L109 HydrophobicContact CG-CD1 4.16Å; R105-L109 HydrophobicContact CG-CG 4.43Å; R105-L109 WeakPolarHBondContact O-CB 3.47Å; R105-L109 WeakPolarHBondContact O-CG 3.37Å; R105-L109 PolarHBondContact O-N 2.9Å; L109-A111 PolarHBondContact O-N 3.02Å; L109-G112 WeakPolarHBondContact O-CA 3.25Å; L109-G112 PolarHBondContact O-N 2.86Å; L109-I115 HydrophobicContact CD2-CG2 4.21Å
110	G	98.8	Very high	98.8	Very high	43 Å²	43	48.5 Å²	48.5	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-25.6	175	0	0	0	0	0	113.7	S69 Q106 A107 V108 G112	S69-G110 WeakPolarHBondContact OG-CA 3.27Å; Q106-G110 WeakPolarHBondContact O-CA 3.32Å; Q106-G110 PolarHBondContact O-N 2.89Å; A107-G110 PolarHBondContact O-N 3.43Å; V108-G110 VanDerWaalsContact C-N 3.35Å; G110-G112 VanDerWaalsContact C-N 3.26Å
111	A	98.8	Very high	98.8	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2	169.6	0	0	0	0	0	113.2	S69 I72 Q73 K83 A107 V108 L109 L113	S69-A111 WeakPolarHBondContact O-CB 3.21Å; I72-A111 HydrophobicContact CB-CB 3.95Å; I72-A111 HydrophobicContact CG2-CB 3.68Å; Q73-A111 HydrophobicContact CB-CB 4.24Å; K83-A111 WeakPolarHBondContact CE-O 3.49Å; K83-A111 PolarHBondContact NZ-O 3.37Å; A107-A111 WeakPolarHBondContact O-CB 3.43Å; A107-A111 PolarHBondContact O-N 2.81Å; V108-A111 PolarHBondContact O-N 2.96Å; L109-A111 PolarHBondContact O-N 3.02Å; A111-L113 HydrophobicContact CB-CD1 3.64Å
112	G	98.7	Very high	98.8	Very high	45 Å²	45	39.6 Å²	39.6	46%	0.464	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	27	178.3	0	0	0	0	0	114.4	K83 V108 L109 G110	K83-G112 VanDerWaalsContact CD-O 3.3Å; K83-G112 WeakPolarHBondContact CD-O 3.26Å; V108-G112 PolarHBondContact O-N 3.19Å; L109-G112 WeakPolarHBondContact O-CA 3.25Å; L109-G112 PolarHBondContact O-N 2.86Å; G110-G112 VanDerWaalsContact C-N 3.26Å
113	L	98.8	Very high	98.9	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	25%	0.251	C	S	.	.			trans	-74.4	159.3	170.5	-80.5	70	0	0	0	110.6	I72 I76 K83 V86 V108 A111 T117	I72-L113 HydrophobicContact CG2-CD1 3.81Å; I72-L113 HydrophobicContact CG2-CD2 4.4Å; I76-L113 HydrophobicContact CD1-CD1 3.56Å; I76-L113 HydrophobicContact CD1-CD2 3.94Å; I76-L113 HydrophobicContact CD1-CG 3.96Å; K83-L113 HydrophobicContact CB-CG 4.4Å; K83-L113 HydrophobicContact CD-CD1 4.45Å; V86-L113 HydrophobicContact CB-CD2 3.79Å; V86-L113 HydrophobicContact CG1-CD2 3.71Å; V86-L113 HydrophobicContact CG2-CD2 4.17Å; V108-L113 HydrophobicContact CG1-CB 3.71Å; V108-L113 HydrophobicContact CG1-CD2 3.96Å; V108-L113 HydrophobicContact CG1-CG 4.37Å; V108-L113 PolarHBondContact O-N 3.01Å; A111-L113 HydrophobicContact CB-CD1 3.64Å; L113-T117 HydrophobicContact CD2-CG2 4.34Å
114	P	98.8	Very high	98.9	Very high	29 Å²	29	43.1 Å²	43.1	19%	0.188	26%	0.258	C	S	.	.			trans	-57.4	148.5	179.2	-25.5	34.6	0	0	0	113.7	E84 S116 T117	E84-P114 HydrophobicContact CB-CG 4.33Å; E84-P114 HydrophobicContact CG-CG 4.05Å; P114-S116 WeakPolarHBondContact CB-OG 3.41Å; P114-S116 PolarHBondContact O-N 3.07Å; P114-S116 VanDerWaalsContact O-N 3.09Å; P114-T117 WeakPolarHBondContact O-CB 3.49Å; P114-T117 PolarHBondContact O-N 3.42Å; P114-T117 VanDerWaalsContact O-N 3.09Å; P114-T117 PolarHBondContact O-OG1 3.46Å
115	I	98.6	Very high	98.8	Very high	141 Å²	141	44.5 Å²	44.5	72%	0.723	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.9	172.4	61.3	170.3	0	0	0	112.8	R105 L109 T117	R105-I115 PolarHBondContact NH1-O 2.95Å; R105-I115 PolarHBondContact NH2-O 3.32Å; L109-I115 HydrophobicContact CD2-CG2 4.21Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 2.99Å
116	S	98.8	Very high	98.8	Very high	94 Å²	94	42 Å²	42	66%	0.657	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.5	176.5	50.3	0	0	0	0	114.2	P114 P118	P114-S116 WeakPolarHBondContact CB-OG 3.41Å; P114-S116 PolarHBondContact O-N 3.07Å; P114-S116 VanDerWaalsContact O-N 3.09Å; S116-P118 WeakPolarHBondContact O-CD 3.42Å
117	T	98.9	Very high	98.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	25%	0.245	C	C	.	.			trans	-73.7	108.3	-174.9	-55.4	0	0	0	0	111.9	V86 R105 V108 L113 P114 I115 C119	V86-T117 HydrophobicContact CG1-CG2 4.19Å; V86-T117 PolarHBondContact O-OG1 3.15Å; R105-T117 PolarHBondContact NH1-O 3.44Å; V108-T117 HydrophobicContact CG1-CG2 4.03Å; L113-T117 HydrophobicContact CD2-CG2 4.34Å; P114-T117 WeakPolarHBondContact O-CB 3.49Å; P114-T117 PolarHBondContact O-N 3.42Å; P114-T117 VanDerWaalsContact O-N 3.09Å; P114-T117 PolarHBondContact O-OG1 3.46Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 2.99Å; T117-C119 PolarHBondContact O-SG 3.11Å
118	P	98.9	Very high	98.8	Very high	64 Å²	64	38.8 Å²	38.8	42%	0.416	25%	0.245	S	C	.	.			trans	-65.6	152.8	178.4	-17	34.3	0	0	0	111.2	K87 E88 A89 S116	K87-P118 WeakPolarHBondContact O-CD 3.46Å; E88-P118 HydrophobicContact CG-CB 4.22Å; A89-P118 PolarHBondContact N-O 3.45Å; S116-P118 WeakPolarHBondContact O-CD 3.42Å
119	C	98.9	Very high	98.8	Very high	32 Å²	32	38.8 Å²	38.8	22%	0.216	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.1	-173.9	-54.6	0	0	0	0	111	A89 A104 R105 T117	A89-C119 WeakPolarHBondContact O-CA 3.41Å; A104-C119 HydrophobicContact CB-CB 4.23Å; R105-C119 HydrophobicContact CB-CB 3.9Å; R105-C119 WeakPolarHBondContact CD-SG 3.44Å; T117-C119 PolarHBondContact O-SG 3.11Å
120	T	98.9	Very high	98.8	Very high	61 Å²	61	35.4 Å²	35.4	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.3	172	-55.5	0	0	0	0	110.4	A89 Y90 M91 I122	A89-T120 PolarHBondContact O-N 2.93Å; Y90-T120 WeakPolarHBondContact CA-O 3.47Å; M91-T120 PolarHBondContact N-O 3.18Å; M91-T120 VanDerWaalsContact N-O 3.14Å; T120-I122 HydrophobicContact CG2-CD1 3.72Å
121	T	98.9	Very high	98.8	Very high	32 Å²	32	35.2 Å²	35.2	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.3	172	-49.2	0	0	0	0	109.1	M91 N93 Q96 P103 A104	M91-T121 WeakPolarHBondContact O-CA 3.3Å; N93-T121 HydrophobicContact CB-CG2 3.9Å; Q96-T121 HydrophobicContact CG-CG2 4.3Å; P103-T121 HydrophobicContact CB-CG2 4.44Å; A104-T121 WeakPolarHBondContact CB-OG1 3.39Å; A104-T121 PolarHBondContact N-OG1 3.4Å; A104-T121 VanDerWaalsContact N-OG1 3.11Å
122	I	98.9	Very high	98.8	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.3	-175.7	-55.6	-60.5	0	0	0	109.8	M91 G92 N93 T120 K131 A132 M135	M91-I122 PolarHBondContact O-N 3.32Å; G92-I122 CarbonylContact C-O 3.57Å; G92-I122 VanDerWaalsContact CA-O 3.3Å; G92-I122 WeakPolarHBondContact CA-O 3.49Å; N93-I122 PolarHBondContact N-O 3.47Å; T120-I122 HydrophobicContact CG2-CD1 3.72Å; I122-K131 HydrophobicContact CG2-CB 4.38Å; I122-K131 HydrophobicContact CG2-CG 4.19Å; I122-A132 HydrophobicContact CG1-CB 4.37Å; I122-M135 HydrophobicContact CD1-CE 3.8Å; I122-M135 HydrophobicContact CD1-SD 3.93Å; I122-M135 HydrophobicContact CG1-SD 4.46Å; I122-M135 HydrophobicContact CG2-SD 4.28Å
123	N	98.9	Very high	98.8	Very high	86 Å²	86	33 Å²	33	46%	0.46	19%	0.191	S	C	.	.			trans	-126.8	112.6	171.2	-171.8	-9.9	0	0	0	110.6	V94 V125 S128	V94-N123 PolarHBondContact O-ND2 2.93Å; V94-N123 VanDerWaalsContact O-ND2 3.17Å; N123-V125 PolarHBondContact OD1-N 2.84Å; N123-S128 WeakPolarHBondContact CA-OG 3.22Å
124	K	98.8	Very high	98.8	Very high	44 Å²	44	32.7 Å²	32.7	19%	0.191	19%	0.19	C	C	.	.			trans	-131.3	42.7	165.2	-165.2	174.2	178.3	-80.9	0	109.2	C126 A127 S128 K131 D317 N414 A419 S420	K124-C126 PolarHBondContact O-N 3.45Å; K124-A127 HydrophobicContact CB-CB 4.41Å; K124-A127 HydrophobicContact CD-CB 4.3Å; K124-A127 HydrophobicContact CG-CB 4.2Å; K124-A127 WeakPolarHBondContact O-CB 3.47Å; K124-A127 PolarHBondContact O-N 2.9Å; K124-S128 PolarHBondContact N-OG 3.18Å; K124-K131 HydrophobicContact CB-CB 4.21Å; K124-K131 HydrophobicContact CB-CG 4.35Å; K124-K131 HydrophobicContact CD-CB 4.04Å; K124-K131 HydrophobicContact CD-CD 4.03Å; K124-K131 HydrophobicContact CD-CG 3.85Å; K124-D317 WeakPolarHBondContact CE-OD1 3.2Å; K124-D317 IonicContact NZ-OD1 2.85Å; K124-D317 PolarHBondContact NZ-OD1 3.08Å; K124-N414 PolarHBondContact NZ-OD1 3.29Å; K124-N414 VanDerWaalsContact O-CB 3.3Å; K124-N414 WeakPolarHBondContact O-CB 3.41Å; K124-A419 PolarHBondContact NZ-O 2.81Å; K124-A419 VanDerWaalsContact NZ-O 3.16Å; K124-S420 PolarHBondContact NZ-OG 3Å
125	V	98.6	Very high	98.9	Very high	30 Å²	30	34.3 Å²	34.3	18%	0.182	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	48	-132	-173.4	-158.6	0	0	0	0	110.4	V94 N123 A127 S128 N414	V94-V125 HydrophobicContact CG1-CG1 4.29Å; V94-V125 WeakPolarHBondContact CG2-O 3.44Å; N123-V125 PolarHBondContact OD1-N 2.84Å; V125-A127 PolarHBondContact O-N 3.48Å; V125-S128 PolarHBondContact N-OG 2.96Å; V125-S128 VanDerWaalsContact O-CB 3.3Å; V125-S128 WeakPolarHBondContact O-CB 3.23Å; V125-S128 PolarHBondContact O-N 3.02Å; V125-S128 PolarHBondContact O-OG 3.29Å; V125-N414 HydrophobicContact CB-CB 4.11Å
126	C	98.3	Very high	98.9	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.108	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-59.2	-23.8	-177.5	-50.6	0	0	0	0	113.8	K124 S128 H385 I387 I412 C413	K124-C126 PolarHBondContact O-N 3.45Å; C126-S128 VanDerWaalsContact C-N 3.28Å; C126-S128 PolarHBondContact O-N 2.89Å; C126-H385 PolarHBondContact SG-NE2 3.01Å; C126-I387 CarbonylContact C-O 3.54Å; C126-I387 WeakPolarHBondContact CA-O 3.37Å; C126-I412 HydrophobicContact CB-CD1 4.35Å; C126-I412 HydrophobicContact CB-CG1 4.35Å; C126-I412 WeakPolarHBondContact O-CD1 3.5Å; C126-C413 WeakPolarHBondContact CB-O 3.48Å
127	A	98.9	Very high	98.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-82.2	-1.1	178.9	0	0	0	0	0	113.8	K124 V125 G129 M130 K131 I412 N414	K124-A127 HydrophobicContact CB-CB 4.41Å; K124-A127 HydrophobicContact CD-CB 4.3Å; K124-A127 HydrophobicContact CG-CB 4.2Å; K124-A127 WeakPolarHBondContact O-CB 3.47Å; K124-A127 PolarHBondContact O-N 2.9Å; V125-A127 PolarHBondContact O-N 3.48Å; A127-G129 PolarHBondContact O-N 3.25Å; A127-M130 PolarHBondContact O-N 2.9Å; A127-M130 VanDerWaalsContact O-N 3.13Å; A127-K131 WeakPolarHBondContact O-CB 3.41Å; A127-K131 PolarHBondContact O-N 2.68Å; A127-I412 HydrophobicContact CB-CG2 3.88Å; A127-N414 HydrophobicContact CB-CB 3.88Å
128	S	98.9	Very high	98.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54.1	-47.4	-172.2	-60.2	0	0	0	0	113.5	N123 K124 V125 C126 M130 K131 A132	N123-S128 WeakPolarHBondContact CA-OG 3.22Å; K124-S128 PolarHBondContact N-OG 3.18Å; V125-S128 PolarHBondContact N-OG 2.96Å; V125-S128 VanDerWaalsContact O-CB 3.3Å; V125-S128 WeakPolarHBondContact O-CB 3.23Å; V125-S128 PolarHBondContact O-N 3.02Å; V125-S128 PolarHBondContact O-OG 3.29Å; C126-S128 VanDerWaalsContact C-N 3.28Å; C126-S128 PolarHBondContact O-N 2.89Å; S128-M130 PolarHBondContact O-N 3.37Å; S128-K131 PolarHBondContact O-N 2.77Å; S128-A132 WeakPolarHBondContact O-CB 3.42Å; S128-A132 PolarHBondContact O-N 3.49Å
129	G	98.9	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-39	179.9	0	0	0	0	0	113.2	A127 I133 G388	A127-G129 PolarHBondContact O-N 3.25Å; G129-I133 WeakPolarHBondContact O-CG1 3.37Å; G129-I133 PolarHBondContact O-N 3.43Å; G129-G388 VanDerWaalsContact CA-O 3.29Å; G129-G388 WeakPolarHBondContact CA-O 3.38Å; G129-G388 PolarHBondContact N-O 2.98Å
130	M	98.9	Very high	98.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.3	-41	175.7	-172.3	178.5	-70	0	0	110.9	A127 S128 A132 I133 M134 I394 V395 A410 I412 S420 M422	A127-M130 PolarHBondContact O-N 2.9Å; A127-M130 VanDerWaalsContact O-N 3.13Å; S128-M130 PolarHBondContact O-N 3.37Å; M130-A132 VanDerWaalsContact C-N 3.29Å; M130-A132 PolarHBondContact O-N 3.17Å; M130-I133 WeakPolarHBondContact O-CB 3.49Å; M130-I133 PolarHBondContact O-N 3.19Å; M130-I133 VanDerWaalsContact O-N 3.1Å; M130-M134 HydrophobicContact CG-SD 4.24Å; M130-M134 VanDerWaalsContact O-CG 3.31Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 3.05Å; M130-I394 HydrophobicContact CE-CD1 3.7Å; M130-I394 HydrophobicContact CE-CG1 4.03Å; M130-V395 HydrophobicContact CE-CG2 3.91Å; M130-V395 HydrophobicContact CG-CG2 4.35Å; M130-A410 HydrophobicContact CE-CB 3.62Å; M130-I412 HydrophobicContact CB-CG2 4.11Å; M130-I412 HydrophobicContact CE-CB 4.48Å; M130-I412 HydrophobicContact CE-CG2 3.79Å; M130-I412 HydrophobicContact SD-CG2 3.91Å; M130-S420 VanDerWaalsContact SD-C 3.57Å; M130-M422 HydrophobicContact CG-CB 4.38Å; M130-M422 HydrophobicContact CG-CE 4.26Å; M130-M422 HydrophobicContact SD-CB 4.06Å
131	K	98.9	Very high	98.9	Very high	38 Å²	38	22 Å²	22	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-35.5	179.2	-172.3	59.7	177.2	177.4	0	112.2	I122 K124 A127 S128 M134 M135 D317	I122-K131 HydrophobicContact CG2-CB 4.38Å; I122-K131 HydrophobicContact CG2-CG 4.19Å; K124-K131 HydrophobicContact CB-CB 4.21Å; K124-K131 HydrophobicContact CB-CG 4.35Å; K124-K131 HydrophobicContact CD-CB 4.04Å; K124-K131 HydrophobicContact CD-CD 4.03Å; K124-K131 HydrophobicContact CD-CG 3.85Å; A127-K131 WeakPolarHBondContact O-CB 3.41Å; A127-K131 PolarHBondContact O-N 2.68Å; S128-K131 PolarHBondContact O-N 2.77Å; K131-M134 HydrophobicContact CD-CB 4.42Å; K131-M134 HydrophobicContact CD-CE 4.37Å; K131-M134 HydrophobicContact CD-SD 3.97Å; K131-M134 PolarHBondContact O-N 2.86Å; K131-M135 HydrophobicContact CD-CG 4.33Å; K131-M135 HydrophobicContact CD-SD 4.44Å; K131-M135 HydrophobicContact CG-CG 4.4Å; K131-M135 HydrophobicContact CG-SD 4.03Å; K131-M135 WeakPolarHBondContact O-CB 3.39Å; K131-M135 WeakPolarHBondContact O-CG 3.26Å; K131-M135 PolarHBondContact O-N 2.74Å; K131-D317 IonicContact NZ-OD2 3.24Å; K131-D317 PolarHBondContact NZ-OD2 2.79Å
132	A	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-45.3	171.8	0	0	0	0	0	111.6	I122 S128 M130 M135 A136 G151	I122-A132 HydrophobicContact CG1-CB 4.37Å; S128-A132 WeakPolarHBondContact O-CB 3.42Å; S128-A132 PolarHBondContact O-N 3.49Å; M130-A132 VanDerWaalsContact C-N 3.29Å; M130-A132 PolarHBondContact O-N 3.17Å; A132-M135 PolarHBondContact O-N 2.83Å; A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 2.85Å; A132-G151 WeakPolarHBondContact CB-O 3.47Å
133	I	99	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-43.2	175.7	-59.3	165.8	0	0	0	110.7	G129 M130 A136 S137 A150 L293 L295 I312 A392 V395 M422	G129-I133 WeakPolarHBondContact O-CG1 3.37Å; G129-I133 PolarHBondContact O-N 3.43Å; M130-I133 WeakPolarHBondContact O-CB 3.49Å; M130-I133 PolarHBondContact O-N 3.19Å; M130-I133 VanDerWaalsContact O-N 3.1Å; I133-A136 PolarHBondContact O-N 2.8Å; I133-S137 WeakPolarHBondContact O-CB 3.43Å; I133-S137 PolarHBondContact O-N 2.72Å; I133-S137 PolarHBondContact O-OG 2.8Å; I133-A150 HydrophobicContact CB-CB 4.38Å; I133-A150 HydrophobicContact CG1-CB 3.97Å; I133-L293 HydrophobicContact CD1-CD1 3.72Å; I133-L293 HydrophobicContact CD1-CD2 4.11Å; I133-L293 HydrophobicContact CG1-CD1 4.32Å; I133-L295 HydrophobicContact CG2-CD1 3.9Å; I133-L295 HydrophobicContact CG2-CD2 4.46Å; I133-I312 HydrophobicContact CG2-CD1 3.87Å; I133-A392 HydrophobicContact CD1-CB 4.02Å; I133-V395 HydrophobicContact CD1-CB 3.97Å; I133-V395 HydrophobicContact CD1-CG1 4.1Å; I133-V395 HydrophobicContact CD1-CG2 4.2Å; I133-M422 HydrophobicContact CB-CE 3.97Å; I133-M422 HydrophobicContact CG2-CE 3.59Å; I133-M422 HydrophobicContact CG2-SD 3.77Å
134	M	98.9	Very high	98.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-48.6	177.6	-62.8	162.8	73.2	0	0	111.6	M130 K131 S137 Q138 F315 D317 M422	M130-M134 HydrophobicContact CG-SD 4.24Å; M130-M134 VanDerWaalsContact O-CG 3.31Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 3.05Å; K131-M134 HydrophobicContact CD-CB 4.42Å; K131-M134 HydrophobicContact CD-CE 4.37Å; K131-M134 HydrophobicContact CD-SD 3.97Å; K131-M134 PolarHBondContact O-N 2.86Å; M134-S137 WeakPolarHBondContact O-CB 3.26Å; M134-S137 PolarHBondContact O-N 3.23Å; M134-Q138 WeakPolarHBondContact O-CG 3.45Å; M134-Q138 PolarHBondContact O-N 2.74Å; M134-F315 HydrophobicContact CB-CD2 3.92Å; M134-F315 HydrophobicContact CB-CE2 4.15Å; M134-F315 HydrophobicContact CB-CG 4.19Å; M134-F315 HydrophobicContact CE-CB 3.98Å; M134-F315 HydrophobicContact CE-CD2 3.63Å; M134-F315 HydrophobicContact CE-CG 4.15Å; M134-F315 HydrophobicContact CG-CB 3.87Å; M134-F315 HydrophobicContact CG-CD1 4.41Å; M134-F315 HydrophobicContact CG-CD2 3.88Å; M134-F315 HydrophobicContact CG-CG 3.79Å; M134-F315 HydrophobicContact SD-CB 4.44Å; M134-D317 WeakPolarHBondContact CE-OD2 3.46Å; M134-M422 HydrophobicContact CB-CE 4.32Å; M134-M422 HydrophobicContact CG-CE 3.38Å
135	M	98.9	Very high	98.8	Very high	63 Å²	63	28.1 Å²	28.1	31%	0.31	16%	0.156	S	C	.	.	H	α-helix	trans	-66.9	-39.7	-178.8	-70	176	62.5	0	0	112.1	Y90 I122 K131 A132 S137 Q138 S139	Y90-M135 HydrophobicContact CD2-CB 3.89Å; Y90-M135 HydrophobicContact CE2-CB 3.97Å; I122-M135 HydrophobicContact CD1-CE 3.8Å; I122-M135 HydrophobicContact CD1-SD 3.93Å; I122-M135 HydrophobicContact CG1-SD 4.46Å; I122-M135 HydrophobicContact CG2-SD 4.28Å; K131-M135 HydrophobicContact CD-CG 4.33Å; K131-M135 HydrophobicContact CD-SD 4.44Å; K131-M135 HydrophobicContact CG-CG 4.4Å; K131-M135 HydrophobicContact CG-SD 4.03Å; K131-M135 WeakPolarHBondContact O-CB 3.39Å; K131-M135 WeakPolarHBondContact O-CG 3.26Å; K131-M135 PolarHBondContact O-N 2.74Å; A132-M135 PolarHBondContact O-N 2.83Å; M135-S137 VanDerWaalsContact C-N 3.34Å; M135-Q138 PolarHBondContact O-N 2.81Å; M135-S139 PolarHBondContact O-N 3.22Å; M135-S139 VanDerWaalsContact O-N 3.13Å
136	A	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-42.1	173.2	0	0	0	0	0	111.1	Y90 A132 I133 Q138 S139 L140 M148 A150 L295	Y90-A136 HydrophobicContact CD2-CB 3.96Å; Y90-A136 HydrophobicContact CE2-CB 4.5Å; A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 2.85Å; I133-A136 PolarHBondContact O-N 2.8Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 3.29Å; A136-S139 WeakPolarHBondContact O-CB 3.43Å; A136-S139 PolarHBondContact O-N 3.4Å; A136-S139 VanDerWaalsContact O-N 3.16Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 3.02Å; A136-M148 HydrophobicContact CB-CB 4.41Å; A136-M148 HydrophobicContact CB-CE 3.85Å; A136-M148 HydrophobicContact CB-SD 3.97Å; A136-A150 HydrophobicContact CB-CB 3.75Å; A136-L295 HydrophobicContact CB-CD1 3.91Å
137	S	98.9	Very high	98.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-39.6	175.4	-57.9	0	0	0	0	111.9	I133 M134 M135 L140 M141 I312	I133-S137 WeakPolarHBondContact O-CB 3.43Å; I133-S137 PolarHBondContact O-N 2.72Å; I133-S137 PolarHBondContact O-OG 2.8Å; M134-S137 WeakPolarHBondContact O-CB 3.26Å; M134-S137 PolarHBondContact O-N 3.23Å; M135-S137 VanDerWaalsContact C-N 3.34Å; S137-L140 PolarHBondContact O-N 3.09Å; S137-M141 WeakPolarHBondContact O-CB 3.34Å; S137-M141 WeakPolarHBondContact O-CG 3.35Å; S137-M141 PolarHBondContact O-N 2.91Å; S137-I312 VanDerWaalsContact OG-CD1 3.26Å; S137-I312 WeakPolarHBondContact OG-CD1 3.39Å
138	Q	98.9	Very high	98.9	Very high	89 Å²	89	28 Å²	28	42%	0.416	15%	0.153	S	C	.	.	H	α-helix	trans	-63.3	-41.9	175.2	-70.2	171.7	-40	0	0	112.2	M134 M135 A136 L140 M141 C142 F315	M134-Q138 WeakPolarHBondContact O-CG 3.45Å; M134-Q138 PolarHBondContact O-N 2.74Å; M135-Q138 PolarHBondContact O-N 2.81Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 3.29Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.49Å; Q138-M141 PolarHBondContact O-N 3.05Å; Q138-C142 WeakPolarHBondContact O-CB 3.36Å; Q138-C142 PolarHBondContact O-N 3.26Å; Q138-C142 PolarHBondContact O-SG 2.95Å; Q138-C142 VanDerWaalsContact O-SG 3.36Å; Q138-F315 HydrophobicContact CG-CE2 3.96Å; Q138-F315 HydrophobicContact CG-CZ 3.74Å
139	S	98.9	Very high	98.9	Very high	12 Å²	12	28 Å²	28	8%	0.084	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175	-173.9	0	0	0	0	111.9	M135 A136 C142 G143 H144	M135-S139 PolarHBondContact O-N 3.22Å; M135-S139 VanDerWaalsContact O-N 3.13Å; A136-S139 WeakPolarHBondContact O-CB 3.43Å; A136-S139 PolarHBondContact O-N 3.4Å; A136-S139 VanDerWaalsContact O-N 3.16Å; S139-C142 PolarHBondContact O-N 3.25Å; S139-G143 PolarHBondContact O-N 2.59Å; S139-H144 PolarHBondContact O-N 3.42Å; S139-H144 VanDerWaalsContact O-N 3.07Å
140	L	98.9	Very high	98.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-43.2	175.2	-65	171	0	0	0	112.3	K40 V42 A136 S137 Q138 C142 G143 Q145 D146 M148 L295 T297	K40-L140 WeakPolarHBondContact CB-O 3.3Å; V42-L140 HydrophobicContact CG1-CD1 3.74Å; V42-L140 HydrophobicContact CG2-CB 3.76Å; V42-L140 HydrophobicContact CG2-CD1 4.49Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 3.02Å; S137-L140 PolarHBondContact O-N 3.09Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.49Å; L140-C142 VanDerWaalsContact C-N 3.3Å; L140-C142 PolarHBondContact O-N 3.2Å; L140-G143 WeakPolarHBondContact O-CA 3.45Å; L140-G143 PolarHBondContact O-N 3.29Å; L140-Q145 HydrophobicContact CD2-CB 4.3Å; L140-Q145 WeakPolarHBondContact CD2-O 3.33Å; L140-D146 VanDerWaalsContact CD2-C 3.5Å; L140-M148 HydrophobicContact CD2-CG 4.03Å; L140-M148 HydrophobicContact CD2-SD 4.31Å; L140-M148 HydrophobicContact CG-CG 4.34Å; L140-M148 HydrophobicContact CG-SD 4.1Å; L140-L295 HydrophobicContact CD1-CB 3.58Å; L140-T297 HydrophobicContact CB-CG2 4.26Å; L140-T297 HydrophobicContact CD2-CG2 4.38Å
141	M	98.8	Very high	98.9	Very high	33 Å²	33	28 Å²	28	16%	0.163	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-41	176.6	-79	171.5	-179.9	0	0	112.1	L39 K40 V42 S137 Q138 G143 F315	L39-M141 HydrophobicContact CB-CB 4.12Å; L39-M141 HydrophobicContact CB-CG 4.38Å; L39-M141 HydrophobicContact CD1-CB 4.28Å; L39-M141 HydrophobicContact CD1-CG 4.49Å; L39-M141 HydrophobicContact CD1-SD 4.24Å; L39-M141 HydrophobicContact CD2-CB 4.43Å; K40-M141 PolarHBondContact N-O 3.36Å; V42-M141 HydrophobicContact CG2-CE 4.36Å; V42-M141 HydrophobicContact CG2-CG 3.72Å; S137-M141 WeakPolarHBondContact O-CB 3.34Å; S137-M141 WeakPolarHBondContact O-CG 3.35Å; S137-M141 PolarHBondContact O-N 2.91Å; Q138-M141 PolarHBondContact O-N 3.05Å; M141-G143 PolarHBondContact O-N 3.02Å; M141-F315 HydrophobicContact CE-CE1 3.72Å; M141-F315 HydrophobicContact CE-CZ 4.1Å; M141-F315 HydrophobicContact SD-CE1 4.37Å; M141-F315 HydrophobicContact SD-CZ 4.16Å
142	C	98.8	Very high	98.9	Very high	76 Å²	76	26.2 Å²	26.2	51%	0.514	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.9	175.1	-69.9	0	0	0	0	113.3	Q138 S139 L140 H144	Q138-C142 WeakPolarHBondContact O-CB 3.36Å; Q138-C142 PolarHBondContact O-N 3.26Å; Q138-C142 PolarHBondContact O-SG 2.95Å; Q138-C142 VanDerWaalsContact O-SG 3.36Å; S139-C142 PolarHBondContact O-N 3.25Å; L140-C142 VanDerWaalsContact C-N 3.3Å; L140-C142 PolarHBondContact O-N 3.2Å; C142-H144 VanDerWaalsContact C-N 3.28Å; C142-H144 PolarHBondContact O-N 3Å
143	G	98.4	Very high	98.9	Very high	42 Å²	42	26.2 Å²	26.2	43%	0.433	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	21.4	-176.9	0	0	0	0	0	113.8	S139 L140 M141	S139-G143 PolarHBondContact O-N 2.59Å; L140-G143 WeakPolarHBondContact O-CA 3.45Å; L140-G143 PolarHBondContact O-N 3.29Å; M141-G143 PolarHBondContact O-N 3.02Å
144	H	98.8	Very high	98.9	Very high	139 Å²	139	26.2 Å²	26.2	64%	0.644	15%	0.145	S	C	*	.	S	Bend	trans	-72.3	-34.9	175.3	-63.6	166.9	0	0	0	111.6	S139 C142	S139-H144 PolarHBondContact O-N 3.42Å; S139-H144 VanDerWaalsContact O-N 3.07Å; C142-H144 VanDerWaalsContact C-N 3.28Å; C142-H144 PolarHBondContact O-N 3Å
145	Q	98.8	Very high	98.9	Very high	51 Å²	51	26.2 Å²	26.2	24%	0.238	15%	0.145	C	C	.	.			trans	-128.5	160	170.3	-55.7	-59.3	-9.8	0	0	109.3	K87 E88 L140 M148	K87-Q145 HydrophobicContact CB-CB 4.29Å; K87-Q145 HydrophobicContact CB-CG 4.34Å; E88-Q145 HydrophobicContact CB-CG 4.17Å; E88-Q145 WeakPolarHBondContact OE2-CG 3.44Å; E88-Q145 PolarHBondContact OE2-NE2 2.9Å; L140-Q145 HydrophobicContact CD2-CB 4.3Å; L140-Q145 WeakPolarHBondContact CD2-O 3.33Å; Q145-M148 HydrophobicContact CB-CG 3.83Å; Q145-M148 HydrophobicContact CB-SD 4.04Å; Q145-M148 HydrophobicContact CG-CG 4.21Å; Q145-M148 HydrophobicContact CG-SD 4.15Å
146	D	98.7	Very high	98.9	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.23	13%	0.131	C	C	.	.	S	Bend	trans	-109.8	-25.5	176.8	72	-30.5	0	0	0	113.5	K87 L140 M296 T297 A300 R303	K87-D146 WeakPolarHBondContact CE-OD1 3.11Å; K87-D146 VanDerWaalsContact CG-OD1 3.3Å; K87-D146 WeakPolarHBondContact CG-OD1 3.39Å; L140-D146 VanDerWaalsContact CD2-C 3.5Å; D146-M296 CarbonylContact O-C 3.52Å; D146-M296 VanDerWaalsContact O-CA 3.23Å; D146-M296 WeakPolarHBondContact O-CA 3.16Å; D146-M296 WeakPolarHBondContact O-CB 3.19Å; D146-T297 PolarHBondContact O-N 3.16Å; D146-A300 HydrophobicContact CB-CB 4.11Å; D146-A300 WeakPolarHBondContact O-CB 3.34Å; D146-R303 IonicContact OD2-CZ 3.59Å; D146-R303 IonicContact OD2-NE 3.66Å; D146-R303 IonicContact OD2-NH2 2.77Å; D146-R303 PolarHBondContact OD2-NH2 3.02Å
147	V	98.9	Very high	98.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.8	175.3	-177.8	0	0	0	0	110.3	I81 E85 K87 V294 L295 M296 A300 L304	I81-V147 HydrophobicContact CD1-CG1 3.94Å; E85-V147 VanDerWaalsContact O-CB 3.31Å; E85-V147 WeakPolarHBondContact O-CB 3.39Å; K87-V147 WeakPolarHBondContact CB-O 3.37Å; K87-V147 PolarHBondContact N-O 2.79Å; V147-V294 HydrophobicContact CG1-CG1 4.33Å; V147-L295 WeakPolarHBondContact CA-O 2.92Å; V147-M296 HydrophobicContact CB-CB 4.3Å; V147-M296 HydrophobicContact CG1-CB 4.43Å; V147-M296 HydrophobicContact CG1-CE 4.24Å; V147-M296 HydrophobicContact CG2-CB 3.9Å; V147-M296 HydrophobicContact CG2-CE 4.46Å; V147-A300 HydrophobicContact CG2-CB 3.99Å; V147-L304 HydrophobicContact CG2-CD1 4Å
148	M	98.9	Very high	98.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.9	178.1	-67.4	-178.9	77.3	0	0	111.4	E88 Y90 A136 L140 Q145 L295	E88-M148 HydrophobicContact CB-CE 3.76Å; E88-M148 HydrophobicContact CB-CG 4.24Å; E88-M148 HydrophobicContact CG-CE 3.72Å; E88-M148 VanDerWaalsContact O-CA 3.27Å; E88-M148 WeakPolarHBondContact O-CA 3.41Å; E88-M148 WeakPolarHBondContact O-CB 3.29Å; Y90-M148 HydrophobicContact CD2-CE 4.04Å; Y90-M148 HydrophobicContact CE1-CE 4.24Å; Y90-M148 HydrophobicContact CE2-CE 3.74Å; Y90-M148 HydrophobicContact CG-CE 4.41Å; A136-M148 HydrophobicContact CB-CB 4.41Å; A136-M148 HydrophobicContact CB-CE 3.85Å; A136-M148 HydrophobicContact CB-SD 3.97Å; L140-M148 HydrophobicContact CD2-CG 4.03Å; L140-M148 HydrophobicContact CD2-SD 4.31Å; L140-M148 HydrophobicContact CG-CG 4.34Å; L140-M148 HydrophobicContact CG-SD 4.1Å; Q145-M148 HydrophobicContact CB-CG 3.83Å; Q145-M148 HydrophobicContact CB-SD 4.04Å; Q145-M148 HydrophobicContact CG-CG 4.21Å; Q145-M148 HydrophobicContact CG-SD 4.15Å; M148-L295 PolarHBondContact N-O 2.63Å; M148-L295 PolarHBondContact O-N 3.01Å
149	V	98.9	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.8	165	170.6	0	0	0	0	109.1	I72 I76 V86 E88 A89 Y90 A292 L293 V294	I72-V149 HydrophobicContact CG1-CG1 4Å; I72-V149 HydrophobicContact CG2-CG1 4.3Å; I76-V149 HydrophobicContact CD1-CG2 4.35Å; I76-V149 HydrophobicContact CG1-CG2 4.27Å; V86-V149 HydrophobicContact CB-CG2 4.44Å; V86-V149 HydrophobicContact CG1-CB 4.17Å; V86-V149 HydrophobicContact CG1-CG2 3.69Å; V86-V149 HydrophobicContact CG2-CG2 3.84Å; E88-V149 PolarHBondContact O-N 3.47Å; A89-V149 CarbonylContact C-O 3.51Å; A89-V149 WeakPolarHBondContact CA-O 3.33Å; A89-V149 HydrophobicContact CB-CB 4.3Å; Y90-V149 PolarHBondContact N-O 3.3Å; V149-A292 HydrophobicContact CG1-CB 4.23Å; V149-L293 WeakPolarHBondContact CA-O 3.11Å; V149-V294 HydrophobicContact CG2-CG2 4.24Å
150	A	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.9	174.2	0	0	0	0	0	111.2	Y90 I133 A136 L293 L295	Y90-A150 CarbonylContact O-C 3.57Å; Y90-A150 VanDerWaalsContact O-CA 3.27Å; Y90-A150 WeakPolarHBondContact O-CA 3.4Å; I133-A150 HydrophobicContact CB-CB 4.38Å; I133-A150 HydrophobicContact CG1-CB 3.97Å; A136-A150 HydrophobicContact CB-CB 3.75Å; A150-L293 PolarHBondContact N-O 3.14Å; A150-L293 PolarHBondContact O-N 3.02Å; A150-L295 HydrophobicContact CB-CD1 3.76Å; A150-L295 HydrophobicContact CB-CG 4.41Å
151	G	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	-156.2	-176.4	0	0	0	0	0	113.4	Y90 G92 A132 A291	Y90-G151 PolarHBondContact O-N 3.41Å; G92-G151 PolarHBondContact N-O 3.45Å; A132-G151 WeakPolarHBondContact CB-O 3.47Å; G151-A291 CarbonylContact C-O 3.5Å; G151-A291 WeakPolarHBondContact CA-O 3.47Å
152	G	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.7	173.7	0	0	0	0	0	112.6	G92 A290 A291 G388	G92-G152 CarbonylContact O-C 3.59Å; G92-G152 WeakPolarHBondContact O-CA 3.3Å; G152-A290 CarbonylContact O-C 3.6Å; G152-A290 VanDerWaalsContact O-CA 3.27Å; G152-A290 WeakPolarHBondContact O-CA 3.34Å; G152-A291 PolarHBondContact N-O 2.81Å; G152-A291 PolarHBondContact O-N 3.4Å; G152-G388 WeakPolarHBondContact CA-O 3.43Å
153	M	98.9	Very high	98.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.2	-177.1	63.8	-166.5	-171.8	0	0	110.1	A64 T65 M91 G92 N93 P103 A107 G289 A290	A64-M153 HydrophobicContact CB-CG 4.39Å; T65-M153 HydrophobicContact CG2-CE 4.07Å; M91-M153 HydrophobicContact CE-CB 4.29Å; M91-M153 HydrophobicContact CE-CG 4.38Å; M91-M153 HydrophobicContact CE-SD 4.21Å; G92-M153 PolarHBondContact O-N 3.44Å; N93-M153 WeakPolarHBondContact CA-O 3.29Å; N93-M153 HydrophobicContact CB-CE 4.24Å; N93-M153 HydrophobicContact CB-CG 4.05Å; N93-M153 WeakPolarHBondContact CB-O 3.29Å; P103-M153 HydrophobicContact CB-CE 3.65Å; A107-M153 HydrophobicContact CB-CE 4.38Å; A107-M153 HydrophobicContact CB-SD 3.92Å; M153-G289 WeakPolarHBondContact CA-O 3.4Å; M153-A290 HydrophobicContact CB-CB 3.69Å
154	E	98.9	Very high	98.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146.3	170.5	-147.7	76.1	-106.4	0	0	109.4	N93 V94 L95 M156 D288 G289 P386 I387 G388	N93-E154 PolarHBondContact ND2-OE1 3.48Å; V94-E154 WeakPolarHBondContact CB-OE2 3.48Å; V94-E154 WeakPolarHBondContact CG2-OE2 3.5Å; V94-E154 PolarHBondContact N-OE1 3.16Å; V94-E154 PolarHBondContact N-OE2 2.71Å; L95-E154 PolarHBondContact N-OE1 2.73Å; L95-E154 VanDerWaalsContact N-OE1 3.08Å; E154-M156 HydrophobicContact CG-CG 3.94Å; E154-D288 WeakPolarHBondContact O-CA 3.04Å; E154-G289 PolarHBondContact N-O 3.11Å; E154-G289 PolarHBondContact O-N 2.79Å; E154-P386 HydrophobicContact CB-CB 3.79Å; E154-I387 HydrophobicContact CG-CG1 3.99Å; E154-I387 WeakPolarHBondContact OE2-CG1 3.28Å; E154-G388 WeakPolarHBondContact OE2-CA 3.42Å; E154-G388 PolarHBondContact OE2-N 3.15Å
155	S	98.9	Very high	98.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	81.9	169.2	-174.5	0	0	0	0	107.2	L62 S157 N158 D288	L62-S155 PolarHBondContact O-OG 2.93Å; S155-S157 PolarHBondContact O-N 2.96Å; S155-N158 PolarHBondContact O-N 2.95Å; S155-N158 PolarHBondContact OG-ND2 2.92Å; S155-D288 VanDerWaalsContact CA-OD1 3.27Å; S155-D288 WeakPolarHBondContact CA-OD1 3.49Å
156	M	98.9	Very high	98.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.3	-177.9	-62.4	-174.5	81.1	0	0	110.9	F55 L95 E154 N158 V159 I179 L286 N287 D288 I387	F55-M156 HydrophobicContact CD2-CB 4.45Å; L95-M156 HydrophobicContact CD1-CE 4.48Å; E154-M156 HydrophobicContact CG-CG 3.94Å; M156-N158 PolarHBondContact O-N 3.44Å; M156-V159 PolarHBondContact O-N 3.41Å; M156-I179 HydrophobicContact CB-CD1 4.47Å; M156-I179 HydrophobicContact CE-CG2 3.74Å; M156-I179 WeakPolarHBondContact O-CD1 3.4Å; M156-L286 HydrophobicContact CE-CB 4.18Å; M156-L286 HydrophobicContact CE-CD2 3.47Å; M156-L286 VanDerWaalsContact CE-CD2 3.47Å; M156-L286 HydrophobicContact CE-CG 4.34Å; M156-L286 HydrophobicContact SD-CB 4.08Å; M156-L286 HydrophobicContact SD-CD2 4.28Å; M156-N287 WeakPolarHBondContact CB-O 3.35Å; M156-N287 VanDerWaalsContact CG-O 3.22Å; M156-N287 WeakPolarHBondContact CG-O 3.39Å; M156-D288 PolarHBondContact N-OD1 3.19Å; M156-I387 HydrophobicContact CE-CG2 4.41Å; M156-I387 HydrophobicContact SD-CG2 4.36Å
157	S	98.9	Very high	98.7	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.5	173.6	-65.1	0	0	0	0	114.4	L56 S155 D288	L56-S157 PolarHBondContact N-OG 3.12Å; S155-S157 PolarHBondContact O-N 2.96Å; S157-D288 WeakPolarHBondContact CB-OD1 3.35Å; S157-D288 WeakPolarHBondContact CB-OD2 3.15Å; S157-D288 PolarHBondContact N-OD1 3.3Å; S157-D288 VanDerWaalsContact OG-CG 3.23Å; S157-D288 PolarHBondContact OG-OD1 3.25Å; S157-D288 PolarHBondContact OG-OD2 2.99Å
158	N	98.8	Very high	98.7	Very high	85 Å²	85	54 Å²	54	46%	0.455	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-104	5.8	-177.3	-73	-76.1	0	0	0	113.5	S60 L62 S155 M156	S60-N158 PolarHBondContact O-ND2 3.44Å; L62-N158 PolarHBondContact O-ND2 3.01Å; S155-N158 PolarHBondContact O-N 2.95Å; S155-N158 PolarHBondContact OG-ND2 2.92Å; M156-N158 PolarHBondContact O-N 3.44Å
159	V	98.9	Very high	98.6	Very high	17 Å²	17	58 Å²	58	10%	0.103	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.1	126.3	178.4	173.8	0	0	0	0	109.4	L95 M156 L178 I179	L95-V159 HydrophobicContact CB-CG1 4.3Å; L95-V159 HydrophobicContact CB-CG2 3.66Å; L95-V159 HydrophobicContact CD1-CB 4.5Å; L95-V159 HydrophobicContact CD1-CG1 4.16Å; L95-V159 HydrophobicContact CD1-CG2 3.68Å; L95-V159 HydrophobicContact CG-CG2 4.29Å; M156-V159 PolarHBondContact O-N 3.41Å; V159-L178 HydrophobicContact CG1-CB 3.51Å; V159-I179 HydrophobicContact CB-CD1 4.21Å; V159-I179 HydrophobicContact CB-CG1 3.65Å; V159-I179 HydrophobicContact CG1-CG1 3.61Å; V159-I179 HydrophobicContact CG2-CG1 4.15Å
160	P	98.8	Very high	98.5	Very high	44 Å²	44	69.6 Å²	69.6	29%	0.286	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-84.2	166.9	-174.1	34.1	-36.1	0	0	0	112.4	G97 L178	G97-P160 WeakPolarHBondContact O-CD 3.44Å; G97-P160 WeakPolarHBondContact O-CG 3.4Å; P160-L178 HydrophobicContact CG-CD1 4.06Å; P160-L178 WeakPolarHBondContact O-CB 3.45Å; P160-L178 WeakPolarHBondContact O-CG 3.21Å; P160-L178 PolarHBondContact O-N 3.15Å
161	Y	98.9	Very high	98.4	Very high	151 Å²	151	73.5 Å²	73.5	59%	0.592	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	156	159.7	-63	-96.1	0	0	0	110.6	E176 D177	Y161-E176 CarbonylContact C-O 3.6Å; Y161-E176 VanDerWaalsContact CA-O 3.23Å; Y161-E176 WeakPolarHBondContact CA-O 3.32Å; Y161-D177 HydrophobicContact CD1-CB 3.86Å; Y161-D177 HydrophobicContact CE1-CB 3.66Å
162	V	98.7	Very high	98.3	Very high	42 Å²	42	76.1 Å²	76.1	26%	0.255	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.9	177	-71.1	0	0	0	0	113.6	L175 E176 L178 K181	V162-L175 WeakPolarHBondContact O-CA 3.38Å; V162-E176 HydrophobicContact CG2-CB 4.02Å; V162-E176 PolarHBondContact N-O 3.1Å; V162-E176 PolarHBondContact O-N 3.15Å; V162-L178 HydrophobicContact CB-CD2 4.17Å; V162-L178 HydrophobicContact CB-CG 4.44Å; V162-L178 HydrophobicContact CG1-CD1 3.58Å; V162-L178 HydrophobicContact CG1-CD2 3.58Å; V162-L178 HydrophobicContact CG1-CG 3.58Å; V162-L178 HydrophobicContact CG2-CD2 3.52Å; V162-L178 HydrophobicContact CG2-CG 4.14Å; V162-K181 HydrophobicContact CG2-CD 4.33Å
163	M	98.6	Very high	98.3	Very high	115 Å²	115	79.7 Å²	79.7	57%	0.567	45%	0.452	S	S	*	.			trans	-120.1	135.6	167	-167.1	170.3	62.4	0	0	108.9	V173 L175	M163-V173 HydrophobicContact CG-CG2 4.28Å; M163-V173 HydrophobicContact SD-CG1 4.27Å; M163-L175 HydrophobicContact CB-CD2 3.52Å; M163-L175 HydrophobicContact CG-CD2 3.81Å; M163-L175 HydrophobicContact SD-CD2 4.11Å
164	N	98.3	Very high	98.2	Very high	117 Å²	117	87.6 Å²	87.6	63%	0.626	49%	0.486	S	S	*	.			trans	-62.5	141	174.6	-70.6	-24.9	0	0	0	110.7
165	R	98.3	Very high	98.2	Very high	252 Å²	252	92.2 Å²	92.2	95%	0.951	51%	0.51	S	S	*	.	S	Bend	trans	-71.3	137.9	171.1	-177.3	-179.7	-61.7	-78.1	-2.2	109.7
166	G	97.8	Very high	98.2	Very high	64 Å²	64	95 Å²	95	66%	0.66	52%	0.523	S	S	*	.	S	Bend	trans	130.8	-163.6	174	0	0	0	0	0	112.2
167	S	97.5	Very high	98.2	Very high	121 Å²	121	96.9 Å²	96.9	85%	0.846	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-66.8	132.1	177.2	-58.2	0	0	0	0	111	P169	S167-P169 WeakPolarHBondContact O-CD 3.12Å
168	T	98.2	Very high	98.2	Very high	104 Å²	104	96.5 Å²	96.5	64%	0.638	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-70.3	120.9	172.8	43.4	0	0	0	0	109.7
169	P	97.6	Very high	98.2	Very high	84 Å²	84	92.7 Å²	92.7	55%	0.545	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-63	142.7	-179.5	-23.1	34.5	0	0	0	112.4	S167 G171 G172	S167-P169 WeakPolarHBondContact O-CD 3.12Å; P169-G171 PolarHBondContact O-N 3.01Å; P169-G172 PolarHBondContact O-N 3.34Å
170	Y	96.4	Very high	98.2	Very high	243 Å²	243	95.2 Å²	95.2	95%	0.953	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	134.1	169.1	176.9	-93.8	0	0	0	109.9
171	G	97.4	Very high	98.2	Very high	82 Å²	82	96.6 Å²	96.6	85%	0.845	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-7.5	-175.6	0	0	0	0	0	115	P169	P169-G171 PolarHBondContact O-N 3.01Å
172	G	97.1	Very high	98.1	Very high	54 Å²	54	94 Å²	94	56%	0.557	52%	0.523	S	S	*	.			trans	116.3	173	168.7	0	0	0	0	0	114.7	P169	P169-G172 PolarHBondContact O-N 3.34Å
173	V	98.1	Very high	98.1	Very high	75 Å²	75	92.4 Å²	92.4	46%	0.455	51%	0.514	S	S	.	.			trans	-133	140.6	179.9	63.5	0	0	0	0	110	M163	M163-V173 HydrophobicContact CG-CG2 4.28Å; M163-V173 HydrophobicContact SD-CG1 4.27Å
174	K	97.7	Very high	98.1	Very high	167 Å²	167	88.1 Å²	88.1	73%	0.726	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-93	125.3	170.6	-178.9	-177.8	174.8	-170.2	0	108.7
175	L	98.5	Very high	98.1	Very high	96 Å²	96	84.7 Å²	84.7	50%	0.503	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-77.6	126.1	164.5	-59.5	-175.2	0	0	0	108.5	V162 M163	V162-L175 WeakPolarHBondContact O-CA 3.38Å; M163-L175 HydrophobicContact CB-CD2 3.52Å; M163-L175 HydrophobicContact CG-CD2 3.81Å; M163-L175 HydrophobicContact SD-CD2 4.11Å
176	E	98.6	Very high	98.1	Very high	63 Å²	63	72.9 Å²	72.9	29%	0.294	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.7	-177.4	-61.4	-178.5	103.9	0	0	110.2	Y161 V162 K181	Y161-E176 CarbonylContact C-O 3.6Å; Y161-E176 VanDerWaalsContact CA-O 3.23Å; Y161-E176 WeakPolarHBondContact CA-O 3.32Å; V162-E176 HydrophobicContact CG2-CB 4.02Å; V162-E176 PolarHBondContact N-O 3.1Å; V162-E176 PolarHBondContact O-N 3.15Å; E176-K181 HydrophobicContact CB-CD 4Å; E176-K181 WeakPolarHBondContact OE2-CE 3.38Å; E176-K181 IonicContact OE2-NZ 2.71Å; E176-K181 PolarHBondContact OE2-NZ 3.22Å
177	D	98.8	Very high	98.1	Very high	41 Å²	41	75.1 Å²	75.1	22%	0.219	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.3	173.1	-173	-34.7	0	0	0	109.4	Y161 I179 V180 K181	Y161-D177 HydrophobicContact CD1-CB 3.86Å; Y161-D177 HydrophobicContact CE1-CB 3.66Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 2.83Å; D177-I179 VanDerWaalsContact OD1-CB 3.26Å; D177-I179 WeakPolarHBondContact OD1-CB 3.28Å; D177-I179 WeakPolarHBondContact OD1-CG1 3.22Å; D177-I179 PolarHBondContact OD1-N 3.34Å; D177-V180 HydrophobicContact CB-CB 4.42Å; D177-V180 HydrophobicContact CB-CG2 4.29Å; D177-V180 PolarHBondContact O-N 2.96Å; D177-K181 VanDerWaalsContact O-CB 3.27Å; D177-K181 WeakPolarHBondContact O-CB 3.12Å; D177-K181 PolarHBondContact O-N 3.48Å
178	L	98.9	Very high	98.2	Very high	9 Å²	9	77.2 Å²	77.2	5%	0.047	42%	0.424	C	S	.	.	H	α-helix	trans	-69.5	-24.8	-179.4	-71.9	-174.2	0	0	0	113.8	L95 V159 P160 V162 V180 K181 D182 G183	L95-L178 WeakPolarHBondContact CD2-O 3.41Å; V159-L178 HydrophobicContact CG1-CB 3.51Å; P160-L178 HydrophobicContact CG-CD1 4.06Å; P160-L178 WeakPolarHBondContact O-CB 3.45Å; P160-L178 WeakPolarHBondContact O-CG 3.21Å; P160-L178 PolarHBondContact O-N 3.15Å; V162-L178 HydrophobicContact CB-CD2 4.17Å; V162-L178 HydrophobicContact CB-CG 4.44Å; V162-L178 HydrophobicContact CG1-CD1 3.58Å; V162-L178 HydrophobicContact CG1-CD2 3.58Å; V162-L178 HydrophobicContact CG1-CG 3.58Å; V162-L178 HydrophobicContact CG2-CD2 3.52Å; V162-L178 HydrophobicContact CG2-CG 4.14Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 3.27Å; L178-K181 HydrophobicContact CD2-CD 4.3Å; L178-D182 WeakPolarHBondContact CD2-OD2 3.48Å; L178-D182 PolarHBondContact O-N 3.08Å; L178-G183 PolarHBondContact O-N 2.92Å
179	I	98.8	Very high	98.2	Very high	6 Å²	6	75.6 Å²	75.6	3%	0.031	41%	0.411	C	S	.	.	I	π-helix	trans	-59.2	-49.2	172.8	-59.8	177.1	0	0	0	108.8	F55 L95 M156 V159 D177 G183 L184 L286	F55-I179 HydrophobicContact CE2-CD1 3.76Å; F55-I179 HydrophobicContact CZ-CD1 4.04Å; L95-I179 HydrophobicContact CD1-CG1 4.26Å; M156-I179 HydrophobicContact CB-CD1 4.47Å; M156-I179 HydrophobicContact CE-CG2 3.74Å; M156-I179 WeakPolarHBondContact O-CD1 3.4Å; V159-I179 HydrophobicContact CB-CD1 4.21Å; V159-I179 HydrophobicContact CB-CG1 3.65Å; V159-I179 HydrophobicContact CG1-CG1 3.61Å; V159-I179 HydrophobicContact CG2-CG1 4.15Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 2.83Å; D177-I179 VanDerWaalsContact OD1-CB 3.26Å; D177-I179 WeakPolarHBondContact OD1-CB 3.28Å; D177-I179 WeakPolarHBondContact OD1-CG1 3.22Å; D177-I179 PolarHBondContact OD1-N 3.34Å; I179-G183 CarbonylContact O-C 3.56Å; I179-G183 VanDerWaalsContact O-CA 3.27Å; I179-G183 WeakPolarHBondContact O-CA 3.27Å; I179-G183 PolarHBondContact O-N 2.87Å; I179-L184 HydrophobicContact CG2-CD1 3.72Å; I179-L184 HydrophobicContact CG2-CG 4.27Å; I179-L184 WeakPolarHBondContact O-CG 3.44Å; I179-L184 PolarHBondContact O-N 3.47Å; I179-L286 HydrophobicContact CG2-CD1 4.23Å; I179-L286 HydrophobicContact CG2-CD2 4.14Å
180	V	98.6	Very high	98.2	Very high	70 Å²	70	79.9 Å²	79.9	42%	0.424	42%	0.421	S	S	.	.	I	π-helix	trans	-70	-51.1	179.3	179.3	0	0	0	0	110.4	D177 L178 L184 T185	D177-V180 HydrophobicContact CB-CB 4.42Å; D177-V180 HydrophobicContact CB-CG2 4.29Å; D177-V180 PolarHBondContact O-N 2.96Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 3.27Å; V180-L184 CarbonylContact O-C 3.47Å; V180-L184 PolarHBondContact O-N 3.38Å; V180-T185 VanDerWaalsContact O-CB 3.26Å; V180-T185 WeakPolarHBondContact O-CB 3.47Å; V180-T185 PolarHBondContact O-N 3.48Å; V180-T185 PolarHBondContact O-OG1 3.5Å
181	K	98.6	Very high	98.3	Very high	73 Å²	73	71 Å²	71	32%	0.317	39%	0.39	S	S	.	.	I	π-helix	trans	-68.5	-52.4	-170.3	-175.2	-175.1	175.6	168.2	0	113.1	V162 E176 D177 L178	V162-K181 HydrophobicContact CG2-CD 4.33Å; E176-K181 HydrophobicContact CB-CD 4Å; E176-K181 WeakPolarHBondContact OE2-CE 3.38Å; E176-K181 IonicContact OE2-NZ 2.71Å; E176-K181 PolarHBondContact OE2-NZ 3.22Å; D177-K181 VanDerWaalsContact O-CB 3.27Å; D177-K181 WeakPolarHBondContact O-CB 3.12Å; D177-K181 PolarHBondContact O-N 3.48Å; L178-K181 HydrophobicContact CD2-CD 4.3Å
182	D	98.6	Very high	98.3	Very high	97 Å²	97	69.4 Å²	69.4	52%	0.519	36%	0.36	S	S	.	.	I	π-helix	trans	-98.9	-23.7	-171.1	-69.6	7.2	0	0	0	111.9	L95 L178	L95-D182 HydrophobicContact CD2-CB 3.79Å; L178-D182 WeakPolarHBondContact CD2-OD2 3.48Å; L178-D182 PolarHBondContact O-N 3.08Å
183	G	98.3	Very high	98.4	Very high	7 Å²	7	67.6 Å²	67.6	7%	0.072	34%	0.337	C	S	.	.	I	π-helix	trans	-93.7	-50.1	-178.2	0	0	0	0	0	114.2	L178 I179	L178-G183 PolarHBondContact O-N 2.92Å; I179-G183 CarbonylContact O-C 3.56Å; I179-G183 VanDerWaalsContact O-CA 3.27Å; I179-G183 WeakPolarHBondContact O-CA 3.27Å; I179-G183 PolarHBondContact O-N 2.87Å
184	L	98.6	Very high	98.4	Very high	25 Å²	25	64 Å²	64	13%	0.131	32%	0.316	C	S	.	.	I	π-helix	trans	-121.4	2.1	-159.3	-56.3	179.3	0	0	0	115.7	I179 V180 H192 M193 L286	I179-L184 HydrophobicContact CG2-CD1 3.72Å; I179-L184 HydrophobicContact CG2-CG 4.27Å; I179-L184 WeakPolarHBondContact O-CG 3.44Å; I179-L184 PolarHBondContact O-N 3.47Å; V180-L184 CarbonylContact O-C 3.47Å; V180-L184 PolarHBondContact O-N 3.38Å; L184-H192 WeakPolarHBondContact CB-NE2 3.37Å; L184-H192 CarbonylContact O-C 3.57Å; L184-H192 WeakPolarHBondContact O-CA 3.41Å; L184-M193 WeakPolarHBondContact O-CG 3.45Å; L184-M193 PolarHBondContact O-N 3.36Å; L184-L286 HydrophobicContact CD1-CD2 3.75Å
185	T	98.7	Very high	98.5	Very high	46 Å²	46	57.3 Å²	57.3	28%	0.282	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-102.3	125.4	175.9	-60.5	0	0	0	0	110.5	V180 V187	V180-T185 VanDerWaalsContact O-CB 3.26Å; V180-T185 WeakPolarHBondContact O-CB 3.47Å; V180-T185 PolarHBondContact O-N 3.48Å; V180-T185 PolarHBondContact O-OG1 3.5Å; T185-V187 PolarHBondContact O-N 2.84Å
186	D	98.5	Very high	98.5	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.266	C	S	.	.			trans	-70.6	119.9	170.1	-174.3	63.8	0	0	0	109.3	Y188 N189 K190 I191 M193 P322	D186-Y188 PolarHBondContact O-N 3.14Å; D186-Y188 PolarHBondContact OD2-N 3.34Å; D186-N189 HydrophobicContact CB-CB 4.42Å; D186-N189 VanDerWaalsContact OD2-CB 3.29Å; D186-N189 WeakPolarHBondContact OD2-CB 3.31Å; D186-N189 PolarHBondContact OD2-N 3.11Å; D186-N189 PolarHBondContact OD2-ND2 2.87Å; D186-K190 WeakPolarHBondContact O-CA 3.42Å; D186-K190 PolarHBondContact O-N 2.83Å; D186-I191 PolarHBondContact N-O 2.94Å; D186-M193 VanDerWaalsContact CA-CE 3.47Å; D186-M193 HydrophobicContact CB-CE 3.47Å; D186-M193 VanDerWaalsContact CB-CE 3.47Å; D186-P322 WeakPolarHBondContact OD1-CB 3.3Å
187	V	97.8	Very high	98.5	Very high	111 Å²	111	49.7 Å²	49.7	67%	0.673	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.1	-174.3	176.9	0	0	0	0	111.9	T185	T185-V187 PolarHBondContact O-N 2.84Å
188	Y	97.9	Very high	98.5	Very high	165 Å²	165	48 Å²	48	65%	0.647	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-46.9	-172.4	-48.9	-81.4	0	0	0	111.7	D186 P322	D186-Y188 PolarHBondContact O-N 3.14Å; D186-Y188 PolarHBondContact OD2-N 3.34Å; Y188-P322 HydrophobicContact CD2-CB 3.52Å; Y188-P322 HydrophobicContact CD2-CG 3.35Å; Y188-P322 HydrophobicContact CE2-CB 3.99Å; Y188-P322 HydrophobicContact CE2-CG 3.58Å; Y188-P322 HydrophobicContact CG-CB 4.41Å; Y188-P322 HydrophobicContact CG-CG 4.04Å
189	N	97.9	Very high	98.5	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.374	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.3	-178.8	-65.2	-84.3	0	0	0	112.7	D186 I191	D186-N189 HydrophobicContact CB-CB 4.42Å; D186-N189 VanDerWaalsContact OD2-CB 3.29Å; D186-N189 WeakPolarHBondContact OD2-CB 3.31Å; D186-N189 PolarHBondContact OD2-N 3.11Å; D186-N189 PolarHBondContact OD2-ND2 2.87Å; N189-I191 HydrophobicContact CB-CD1 3.88Å; N189-I191 HydrophobicContact CB-CG1 3.74Å; N189-I191 PolarHBondContact O-N 3.08Å
190	K	98.3	Very high	98.5	Very high	174 Å²	174	49.4 Å²	49.4	76%	0.757	25%	0.25	S	C	*	.			trans	56.6	38	-178.5	-55	-179.8	-179.3	180	0	112.9	D186	D186-K190 WeakPolarHBondContact O-CA 3.42Å; D186-K190 PolarHBondContact O-N 2.83Å
191	I	98.4	Very high	98.5	Very high	57 Å²	57	46.2 Å²	46.2	29%	0.292	23%	0.231	S	C	.	.	S	Bend	trans	-127.9	162.1	178.5	62	-178	0	0	0	110.4	D186 N189 I323	D186-I191 PolarHBondContact N-O 2.94Å; N189-I191 HydrophobicContact CB-CD1 3.88Å; N189-I191 HydrophobicContact CB-CG1 3.74Å; N189-I191 PolarHBondContact O-N 3.08Å; I191-I323 HydrophobicContact CD1-CD1 4.26Å
192	H	98.6	Very high	98.5	Very high	49 Å²	49	50.9 Å²	50.9	23%	0.227	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-69.2	150.8	176.4	-166.4	-93.9	0	0	0	111.2	L184 G194 S195 C196 F271	L184-H192 WeakPolarHBondContact CB-NE2 3.37Å; L184-H192 CarbonylContact O-C 3.57Å; L184-H192 WeakPolarHBondContact O-CA 3.41Å; H192-G194 PolarHBondContact ND1-N 3.45Å; H192-G194 VanDerWaalsContact ND1-N 3.11Å; H192-G194 PolarHBondContact O-N 3.01Å; H192-G194 VanDerWaalsContact O-N 3.07Å; H192-S195 WeakPolarHBondContact O-CA 3.45Å; H192-S195 WeakPolarHBondContact O-CB 3.32Å; H192-S195 PolarHBondContact O-N 3.4Å; H192-C196 PolarHBondContact O-N 3.35Å; H192-F271 HydrophobicContact CB-CD1 4.08Å; H192-F271 HydrophobicContact CB-CE1 4.43Å; H192-F271 AromaticContact CE1-CE1 3.27Å; H192-F271 WeakPolarHBondContact CE1-CE1 3.39Å; H192-F271 AromaticContact CE1-CZ 3.59Å; H192-F271 AromaticContact CG-CD1 3.85Å; H192-F271 AromaticContact CG-CE1 3.69Å; H192-F271 AromaticContact ND1-CD1 3.41Å; H192-F271 WeakPolarHBondContact ND1-CD1 3.18Å; H192-F271 AromaticContact ND1-CE1 3.01Å; H192-F271 WeakPolarHBondContact ND1-CE1 3.41Å; H192-F271 AromaticContact ND1-CZ 3.59Å; H192-F271 AromaticContact NE2-CE1 3.98Å
193	M	98.6	Very high	98.4	Very high	15 Å²	15	51.6 Å²	51.6	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-50.8	-34.9	174.1	-68.1	-59.6	97.5	0	0	113.2	L184 D186 S195 C196 A197 F325 F356	L184-M193 WeakPolarHBondContact O-CG 3.45Å; L184-M193 PolarHBondContact O-N 3.36Å; D186-M193 VanDerWaalsContact CA-CE 3.47Å; D186-M193 HydrophobicContact CB-CE 3.47Å; D186-M193 VanDerWaalsContact CB-CE 3.47Å; M193-S195 VanDerWaalsContact C-N 3.33Å; M193-S195 PolarHBondContact O-N 3.49Å; M193-C196 WeakPolarHBondContact O-CB 3.43Å; M193-C196 PolarHBondContact O-N 3.47Å; M193-A197 PolarHBondContact O-N 3.48Å; M193-F325 HydrophobicContact CB-CE1 4.13Å; M193-F325 HydrophobicContact CB-CZ 4.17Å; M193-F325 HydrophobicContact CG-CE1 4.46Å; M193-F325 HydrophobicContact SD-CD1 4.07Å; M193-F325 HydrophobicContact SD-CE1 3.65Å; M193-F325 HydrophobicContact SD-CZ 4.3Å; M193-F356 HydrophobicContact CB-CE2 4.26Å; M193-F356 HydrophobicContact CB-CZ 4.28Å
194	G	98.3	Very high	98.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-34.2	175.7	0	0	0	0	0	113.8	H192 A197 E198 F356	H192-G194 PolarHBondContact ND1-N 3.45Å; H192-G194 VanDerWaalsContact ND1-N 3.11Å; H192-G194 PolarHBondContact O-N 3.01Å; H192-G194 VanDerWaalsContact O-N 3.07Å; G194-A197 WeakPolarHBondContact O-CB 3.32Å; G194-A197 PolarHBondContact O-N 2.9Å; G194-E198 WeakPolarHBondContact O-CG 3.44Å; G194-E198 PolarHBondContact O-N 2.96Å; G194-E198 VanDerWaalsContact O-N 3.1Å; G194-F356 VanDerWaalsContact CA-CZ 3.48Å
195	S	98.6	Very high	98.5	Very high	26 Å²	26	58.1 Å²	58.1	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-71.5	-31.1	173.6	-53.9	0	0	0	0	111.8	H192 M193 A197 E198 N199 F271	H192-S195 WeakPolarHBondContact O-CA 3.45Å; H192-S195 WeakPolarHBondContact O-CB 3.32Å; H192-S195 PolarHBondContact O-N 3.4Å; M193-S195 VanDerWaalsContact C-N 3.33Å; M193-S195 PolarHBondContact O-N 3.49Å; S195-A197 VanDerWaalsContact C-N 3.34Å; S195-E198 PolarHBondContact O-N 3.42Å; S195-N199 PolarHBondContact O-N 3.24Å; S195-F271 PolarHBondContact OG-O 3.43Å; S195-F271 VanDerWaalsContact OG-O 3.13Å
196	C	98.6	Very high	98.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-38.9	170.2	-54.3	0	0	0	0	111.4	H192 M193 E198 N199 T200 I323 F325	H192-C196 PolarHBondContact O-N 3.35Å; M193-C196 WeakPolarHBondContact O-CB 3.43Å; M193-C196 PolarHBondContact O-N 3.47Å; C196-E198 PolarHBondContact O-N 2.81Å; C196-N199 WeakPolarHBondContact O-CB 3.47Å; C196-N199 PolarHBondContact O-N 3.16Å; C196-T200 PolarHBondContact O-N 2.93Å; C196-I323 HydrophobicContact CB-CG1 4.01Å; C196-F325 HydrophobicContact CB-CD1 4.07Å; C196-F325 HydrophobicContact CB-CE1 3.62Å
197	A	98.6	Very high	98.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-40.8	174.4	0	0	0	0	0	112	M193 G194 S195 N199 T200 A201 I278 F356 L358	M193-A197 PolarHBondContact O-N 3.48Å; G194-A197 WeakPolarHBondContact O-CB 3.32Å; G194-A197 PolarHBondContact O-N 2.9Å; S195-A197 VanDerWaalsContact C-N 3.34Å; A197-N199 VanDerWaalsContact C-N 3.3Å; A197-N199 PolarHBondContact O-N 3.47Å; A197-T200 PolarHBondContact O-N 2.87Å; A197-T200 VanDerWaalsContact O-N 3.13Å; A197-A201 PolarHBondContact O-N 2.77Å; A197-I278 HydrophobicContact CB-CD1 3.93Å; A197-I278 HydrophobicContact CB-CG1 4.2Å; A197-F356 HydrophobicContact CB-CB 4.47Å; A197-F356 HydrophobicContact CB-CD1 4.45Å; A197-F356 HydrophobicContact CB-CD2 3.85Å; A197-F356 HydrophobicContact CB-CE2 4.24Å; A197-F356 HydrophobicContact CB-CG 3.99Å; A197-L358 HydrophobicContact CB-CD1 4.24Å
198	E	98.8	Very high	98.5	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-39.6	173.9	-65.6	-75.8	-164.2	0	0	112.6	G194 S195 C196 T200 A201 K202 Q272 G276 T277 I278	G194-E198 WeakPolarHBondContact O-CG 3.44Å; G194-E198 PolarHBondContact O-N 2.96Å; G194-E198 VanDerWaalsContact O-N 3.1Å; S195-E198 PolarHBondContact O-N 3.42Å; C196-E198 PolarHBondContact O-N 2.81Å; E198-T200 VanDerWaalsContact C-N 3.33Å; E198-T200 PolarHBondContact O-N 3.49Å; E198-A201 WeakPolarHBondContact O-CB 3.33Å; E198-A201 PolarHBondContact O-N 2.91Å; E198-K202 PolarHBondContact O-N 2.97Å; E198-Q272 VanDerWaalsContact CB-OE1 3.27Å; E198-Q272 HydrophobicContact CG-CB 4Å; E198-G276 VanDerWaalsContact OE1-CA 3.29Å; E198-G276 WeakPolarHBondContact OE1-CA 3.42Å; E198-T277 PolarHBondContact OE1-N 2.91Å; E198-T277 PolarHBondContact OE2-N 2.81Å; E198-T277 PolarHBondContact OE2-OG1 3.42Å; E198-I278 HydrophobicContact CG-CB 4.42Å; E198-I278 HydrophobicContact CG-CG1 3.89Å; E198-I278 PolarHBondContact OE1-N 3.37Å
199	N	98.6	Very high	98.5	Very high	42 Å²	42	52.4 Å²	52.4	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175.5	166.1	75.8	0	0	0	111.6	S195 C196 A197 K202 K203 I323 D324	S195-N199 PolarHBondContact O-N 3.24Å; C196-N199 WeakPolarHBondContact O-CB 3.47Å; C196-N199 PolarHBondContact O-N 3.16Å; A197-N199 VanDerWaalsContact C-N 3.3Å; A197-N199 PolarHBondContact O-N 3.47Å; N199-K202 PolarHBondContact O-N 3.25Å; N199-K203 WeakPolarHBondContact O-CG 3.19Å; N199-K203 PolarHBondContact O-N 2.95Å; N199-K203 WeakPolarHBondContact OD1-CE 3.44Å; N199-I323 HydrophobicContact CB-CD1 3.99Å; N199-I323 HydrophobicContact CB-CG1 4.16Å; N199-D324 PolarHBondContact ND2-OD1 3.24Å
200	T	98.6	Very high	98.6	Very high	2 Å²	2	53 Å²	53	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-39.5	175.5	-63.3	0	0	0	0	111.9	C196 A197 E198 K202 K203 L204 P326 I327 L358 A362	C196-T200 PolarHBondContact O-N 2.93Å; A197-T200 PolarHBondContact O-N 2.87Å; A197-T200 VanDerWaalsContact O-N 3.13Å; E198-T200 VanDerWaalsContact C-N 3.33Å; E198-T200 PolarHBondContact O-N 3.49Å; T200-K202 VanDerWaalsContact C-N 3.26Å; T200-K202 PolarHBondContact O-N 3.28Å; T200-K203 PolarHBondContact O-N 3.49Å; T200-L204 HydrophobicContact CG2-CD1 3.73Å; T200-L204 HydrophobicContact CG2-CG 4.15Å; T200-L204 PolarHBondContact O-N 3.29Å; T200-P326 HydrophobicContact CG2-CB 4.01Å; T200-I327 HydrophobicContact CG2-CG2 3.95Å; T200-L358 HydrophobicContact CG2-CD1 3.92Å; T200-A362 HydrophobicContact CG2-CB 4.32Å
201	A	98.7	Very high	98.6	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-44.1	175	0	0	0	0	0	111.4	A197 E198 N205 I206 L358	A197-A201 PolarHBondContact O-N 2.77Å; E198-A201 WeakPolarHBondContact O-CB 3.33Å; E198-A201 PolarHBondContact O-N 2.91Å; A201-N205 WeakPolarHBondContact O-CA 3.43Å; A201-N205 PolarHBondContact O-N 3.16Å; A201-I206 PolarHBondContact O-N 2.7Å; A201-L358 HydrophobicContact CB-CD2 3.67Å; A201-L358 HydrophobicContact CB-CG 4.05Å
202	K	98.4	Very high	98.6	Very high	170 Å²	170	42.4 Å²	42.4	74%	0.739	21%	0.212	S	C	*	.	H	α-helix	trans	-63.9	-49.9	174	-177.8	178.7	174.6	-179.8	0	112.5	E198 N199 T200 L204 N205	E198-K202 PolarHBondContact O-N 2.97Å; N199-K202 PolarHBondContact O-N 3.25Å; T200-K202 VanDerWaalsContact C-N 3.26Å; T200-K202 PolarHBondContact O-N 3.28Å; K202-L204 VanDerWaalsContact C-N 3.3Å; K202-L204 PolarHBondContact O-N 3.34Å; K202-N205 PolarHBondContact O-N 3.07Å
203	K	98.4	Very high	98.6	Very high	113 Å²	113	42.9 Å²	42.9	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-36.9	-177.7	-75.7	177.9	-178.9	-178.8	0	112.9	N199 T200 D324	N199-K203 WeakPolarHBondContact O-CG 3.19Å; N199-K203 PolarHBondContact O-N 2.95Å; N199-K203 WeakPolarHBondContact OD1-CE 3.44Å; T200-K203 PolarHBondContact O-N 3.49Å; K203-D324 IonicContact NZ-OD1 2.85Å; K203-D324 PolarHBondContact NZ-OD1 2.89Å; K203-D324 IonicContact NZ-OD2 3.77Å; K203-D324 PolarHBondContact NZ-OD2 3.37Å
204	L	98.6	Very high	98.6	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.199	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	4.8	-177	-61.9	-176.8	0	0	0	113.4	T200 K202 I206 I327 A362 K365 M366	T200-L204 HydrophobicContact CG2-CD1 3.73Å; T200-L204 HydrophobicContact CG2-CG 4.15Å; T200-L204 PolarHBondContact O-N 3.29Å; K202-L204 VanDerWaalsContact C-N 3.3Å; K202-L204 PolarHBondContact O-N 3.34Å; L204-I206 VanDerWaalsContact C-N 3.3Å; L204-I206 HydrophobicContact CB-CD1 3.89Å; L204-I206 HydrophobicContact CB-CG1 4.03Å; L204-I206 HydrophobicContact CD1-CD1 4.24Å; L204-I206 PolarHBondContact O-N 3.01Å; L204-I327 HydrophobicContact CD1-CG2 4.16Å; L204-A362 HydrophobicContact CD1-CB 3.63Å; L204-K365 PolarHBondContact O-NZ 3.2Å; L204-M366 HydrophobicContact CD1-CG 4.44Å; L204-M366 HydrophobicContact CD1-SD 4.03Å
205	N	98.5	Very high	98.7	Very high	130 Å²	130	43.1 Å²	43.1	70%	0.695	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.8	-177.1	-59.7	95.7	0	0	0	112.7	A201 K202	A201-N205 WeakPolarHBondContact O-CA 3.43Å; A201-N205 PolarHBondContact O-N 3.16Å; K202-N205 PolarHBondContact O-N 3.07Å
206	I	98.7	Very high	98.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.23	C	C	.	.			trans	-96.5	105.4	176.6	-63.4	169.7	0	0	0	107.7	A201 L204 Q211 L358 L361 A362	A201-I206 PolarHBondContact O-N 2.7Å; L204-I206 VanDerWaalsContact C-N 3.3Å; L204-I206 HydrophobicContact CB-CD1 3.89Å; L204-I206 HydrophobicContact CB-CG1 4.03Å; L204-I206 HydrophobicContact CD1-CD1 4.24Å; L204-I206 PolarHBondContact O-N 3.01Å; I206-Q211 HydrophobicContact CG2-CG 3.89Å; I206-Q211 PolarHBondContact O-NE2 3.22Å; I206-Q211 VanDerWaalsContact O-NE2 3.17Å; I206-L358 HydrophobicContact CB-CD2 3.72Å; I206-L358 HydrophobicContact CD1-CD2 3.6Å; I206-L358 HydrophobicContact CG1-CD2 4.23Å; I206-L358 HydrophobicContact CG2-CD2 3.77Å; I206-L361 HydrophobicContact CD1-CB 4.14Å; I206-L361 HydrophobicContact CG2-CB 4.02Å; I206-L361 HydrophobicContact CG2-CD1 3.73Å; I206-A362 HydrophobicContact CD1-CB 3.89Å
207	A	98.5	Very high	98.7	Very high	37 Å²	37	47.1 Å²	47.1	31%	0.306	24%	0.244	S	C	.	.			trans	-78.3	169.2	-170.1	0	0	0	0	0	113	D209 E210 Q211	A207-D209 WeakPolarHBondContact CB-OD1 3.49Å; A207-E210 PolarHBondContact N-OE1 3.31Å; A207-E210 PolarHBondContact O-N 3.43Å; A207-Q211 WeakPolarHBondContact O-CG 3.46Å; A207-Q211 PolarHBondContact O-N 3.13Å
208	R	98.6	Very high	98.7	Very high	52 Å²	52	47.1 Å²	47.1	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-43.3	-178.6	168.6	60.4	-170.2	-76.7	-10.8	112.7	Q211 D212 V264 L267 T277 T279	R208-Q211 PolarHBondContact O-N 2.94Å; R208-D212 IonicContact CZ-OD1 2.91Å; R208-D212 IonicContact CZ-OD2 2.82Å; R208-D212 VanDerWaalsContact CZ-OD2 3.24Å; R208-D212 IonicContact NE-OD1 3.96Å; R208-D212 PolarHBondContact NE-OD1 3.38Å; R208-D212 IonicContact NE-OD2 3.75Å; R208-D212 PolarHBondContact NE-OD2 3.41Å; R208-D212 IonicContact NH2-OD1 3.85Å; R208-D212 IonicContact NH2-OD2 3.76Å; R208-D212 PolarHBondContact NH2-OD2 3.28Å; R208-D212 PolarHBondContact O-N 3.49Å; R208-V264 PolarHBondContact NH2-O 3.29Å; R208-L267 PolarHBondContact NH1-O 3.29Å; R208-L267 PolarHBondContact NH2-O 2.91Å; R208-T277 HydrophobicContact CB-CG2 4.27Å; R208-T277 WeakPolarHBondContact CD-O 3.47Å; R208-T279 VanDerWaalsContact NH1-CG2 3.27Å
209	D	98.6	Very high	98.7	Very high	113 Å²	113	47.3 Å²	47.3	60%	0.604	25%	0.245	S	C	*	.	H	α-helix	trans	-65	-39	-179.3	58.9	-40.1	0	0	0	112.1	A207 D212 A213	A207-D209 WeakPolarHBondContact CB-OD1 3.49Å; D209-D212 PolarHBondContact O-N 2.95Å; D209-A213 VanDerWaalsContact O-CB 3.27Å; D209-A213 WeakPolarHBondContact O-CB 3.44Å; D209-A213 PolarHBondContact O-N 3.42Å
210	E	98.7	Very high	98.7	Very high	82 Å²	82	48.7 Å²	48.7	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-44.6	172.9	-62.6	175.9	-103.9	0	0	111.7	A207 A213 Y214 L361	A207-E210 PolarHBondContact N-OE1 3.31Å; A207-E210 PolarHBondContact O-N 3.43Å; E210-A213 PolarHBondContact O-N 2.54Å; E210-Y214 PolarHBondContact O-N 3.08Å; E210-L361 HydrophobicContact CB-CD1 4.13Å
211	Q	98.9	Very high	98.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-41.4	179.2	-67.4	179.6	52.3	0	0	112.2	I206 A207 R208 Y214 A215 T277 N282 S357 L358 L361	I206-Q211 HydrophobicContact CG2-CG 3.89Å; I206-Q211 PolarHBondContact O-NE2 3.22Å; I206-Q211 VanDerWaalsContact O-NE2 3.17Å; A207-Q211 WeakPolarHBondContact O-CG 3.46Å; A207-Q211 PolarHBondContact O-N 3.13Å; R208-Q211 PolarHBondContact O-N 2.94Å; Q211-Y214 PolarHBondContact O-N 3.37Å; Q211-A215 WeakPolarHBondContact O-CB 3.44Å; Q211-A215 PolarHBondContact O-N 3.47Å; Q211-T277 PolarHBondContact NE2-OG1 2.61Å; Q211-N282 HydrophobicContact CB-CB 4.4Å; Q211-S357 WeakPolarHBondContact O-CB 3.4Å; Q211-S357 PolarHBondContact O-OG 3.34Å; Q211-L358 HydrophobicContact CG-CB 4.42Å; Q211-L361 HydrophobicContact CB-CD1 4.45Å; Q211-L361 HydrophobicContact CG-CD1 3.89Å
212	D	98.9	Very high	98.7	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-39.8	175.7	-78.9	7.2	0	0	0	111.7	R208 D209 Y214 A215 I216 V264 P265 N282	R208-D212 IonicContact CZ-OD1 2.91Å; R208-D212 IonicContact CZ-OD2 2.82Å; R208-D212 VanDerWaalsContact CZ-OD2 3.24Å; R208-D212 IonicContact NE-OD1 3.96Å; R208-D212 PolarHBondContact NE-OD1 3.38Å; R208-D212 IonicContact NE-OD2 3.75Å; R208-D212 PolarHBondContact NE-OD2 3.41Å; R208-D212 IonicContact NH2-OD1 3.85Å; R208-D212 IonicContact NH2-OD2 3.76Å; R208-D212 PolarHBondContact NH2-OD2 3.28Å; R208-D212 PolarHBondContact O-N 3.49Å; D209-D212 PolarHBondContact O-N 2.95Å; D212-Y214 VanDerWaalsContact C-N 3.35Å; D212-A215 PolarHBondContact O-N 3.34Å; D212-I216 WeakPolarHBondContact O-CG1 3.43Å; D212-I216 PolarHBondContact O-N 2.72Å; D212-V264 HydrophobicContact CB-CG1 3.72Å; D212-P265 WeakPolarHBondContact OD2-CA 3.15Å; D212-N282 PolarHBondContact OD1-ND2 3.12Å
213	A	98.8	Very high	98.8	Very high	59 Å²	59	47.6 Å²	47.6	49%	0.488	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-42.7	175	0	0	0	0	0	111.5	D209 E210 N217	D209-A213 VanDerWaalsContact O-CB 3.27Å; D209-A213 WeakPolarHBondContact O-CB 3.44Å; D209-A213 PolarHBondContact O-N 3.42Å; E210-A213 PolarHBondContact O-N 2.54Å; A213-N217 WeakPolarHBondContact O-CB 3.37Å; A213-N217 PolarHBondContact O-N 2.78Å
214	Y	98.9	Very high	98.8	Very high	19 Å²	19	44.6 Å²	44.6	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-45.3	173.9	-176.3	-81.7	0	0	0	111.6	E210 Q211 D212 I216 N217 S218 E354 V360 L361 N375	E210-Y214 PolarHBondContact O-N 3.08Å; Q211-Y214 PolarHBondContact O-N 3.37Å; D212-Y214 VanDerWaalsContact C-N 3.35Å; Y214-I216 PolarHBondContact O-N 3.35Å; Y214-N217 WeakPolarHBondContact O-CB 3.48Å; Y214-N217 PolarHBondContact O-N 3.1Å; Y214-S218 PolarHBondContact O-N 2.88Å; Y214-E354 HydrophobicContact CE1-CG 4.35Å; Y214-E354 WeakPolarHBondContact CE1-OE1 3.36Å; Y214-E354 PolarHBondContact OH-OE1 2.92Å; Y214-V360 HydrophobicContact CE1-CB 4.14Å; Y214-V360 HydrophobicContact CE1-CG2 4.04Å; Y214-V360 HydrophobicContact CE2-CB 3.82Å; Y214-V360 HydrophobicContact CE2-CG1 3.53Å; Y214-V360 HydrophobicContact CE2-CG2 4.46Å; Y214-V360 WeakPolarHBondContact OH-CG1 3.05Å; Y214-L361 HydrophobicContact CD2-CD2 4.02Å; Y214-L361 HydrophobicContact CD2-CG 4.24Å; Y214-L361 HydrophobicContact CG-CD2 4.43Å; Y214-L361 HydrophobicContact CG-CG 4.31Å; Y214-N375 PolarHBondContact OH-ND2 3.02Å
215	A	98.9	Very high	98.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-48.8	178.7	0	0	0	0	0	111.9	Q211 D212 N217 S218 Y219 A281 N282 V381	Q211-A215 WeakPolarHBondContact O-CB 3.44Å; Q211-A215 PolarHBondContact O-N 3.47Å; D212-A215 PolarHBondContact O-N 3.34Å; A215-N217 VanDerWaalsContact C-N 3.29Å; A215-N217 PolarHBondContact O-N 3.05Å; A215-S218 WeakPolarHBondContact O-CB 3.49Å; A215-S218 PolarHBondContact O-N 2.89Å; A215-S218 VanDerWaalsContact O-N 3.07Å; A215-Y219 VanDerWaalsContact O-CD2 3.27Å; A215-Y219 WeakPolarHBondContact O-CD2 3.48Å; A215-Y219 PolarHBondContact O-N 3.02Å; A215-A281 WeakPolarHBondContact CB-O 3.27Å; A215-N282 HydrophobicContact CB-CB 3.76Å; A215-V381 HydrophobicContact CB-CG1 3.93Å
216	I	98.9	Very high	98.8	Very high	54 Å²	54	38.5 Å²	38.5	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-56.2	-46.4	175.5	-69.1	165.4	0	0	0	110.1	D212 Y214 S218 Y219 T220 F261 V264	D212-I216 WeakPolarHBondContact O-CG1 3.43Å; D212-I216 PolarHBondContact O-N 2.72Å; Y214-I216 PolarHBondContact O-N 3.35Å; I216-S218 VanDerWaalsContact C-N 3.34Å; I216-S218 PolarHBondContact O-N 2.98Å; I216-Y219 PolarHBondContact O-N 3Å; I216-T220 WeakPolarHBondContact O-CB 3.27Å; I216-T220 PolarHBondContact O-N 3.45Å; I216-T220 PolarHBondContact O-OG1 2.93Å; I216-F261 HydrophobicContact CG1-CD1 4.08Å; I216-F261 HydrophobicContact CG2-CD1 4.25Å; I216-F261 HydrophobicContact CG2-CE1 4.28Å; I216-V264 HydrophobicContact CD1-CB 4.44Å; I216-V264 HydrophobicContact CD1-CG1 4.25Å; I216-V264 HydrophobicContact CG1-CG1 4.27Å; I216-V264 HydrophobicContact CG1-CG2 4.34Å
217	N	98.9	Very high	98.8	Very high	56 Å²	56	44.9 Å²	44.9	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-40.7	176	169	75.6	0	0	0	112.6	A213 Y214 A215 T220 R221	A213-N217 WeakPolarHBondContact O-CB 3.37Å; A213-N217 PolarHBondContact O-N 2.78Å; Y214-N217 WeakPolarHBondContact O-CB 3.48Å; Y214-N217 PolarHBondContact O-N 3.1Å; A215-N217 VanDerWaalsContact C-N 3.29Å; A215-N217 PolarHBondContact O-N 3.05Å; N217-T220 PolarHBondContact O-N 2.96Å; N217-R221 PolarHBondContact ND2-NE 3.46Å; N217-R221 WeakPolarHBondContact O-CB 3.27Å; N217-R221 VanDerWaalsContact O-CG 3.29Å; N217-R221 WeakPolarHBondContact O-CG 3.34Å; N217-R221 PolarHBondContact O-N 3.4Å; N217-R221 PolarHBondContact OD1-NE 2.92Å
218	S	98.9	Very high	98.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-49.8	175.4	178.5	0	0	0	0	111.1	Y214 A215 I216 T220 R221 S222 E354 G379 S382	Y214-S218 PolarHBondContact O-N 2.88Å; A215-S218 WeakPolarHBondContact O-CB 3.49Å; A215-S218 PolarHBondContact O-N 2.89Å; A215-S218 VanDerWaalsContact O-N 3.07Å; I216-S218 VanDerWaalsContact C-N 3.34Å; I216-S218 PolarHBondContact O-N 2.98Å; S218-T220 PolarHBondContact O-N 3Å; S218-R221 PolarHBondContact O-N 2.76Å; S218-S222 WeakPolarHBondContact O-CB 3.38Å; S218-S222 PolarHBondContact O-N 3.44Å; S218-S222 PolarHBondContact O-OG 2.78Å; S218-E354 WeakPolarHBondContact CB-OE2 3.17Å; S218-E354 PolarHBondContact OG-OE1 3.28Å; S218-E354 PolarHBondContact OG-OE2 2.95Å; S218-G379 PolarHBondContact OG-N 3.06Å; S218-S382 VanDerWaalsContact C-OG 3.28Å; S218-S382 PolarHBondContact O-OG 3Å; S218-S382 WeakPolarHBondContact OG-CB 3.27Å; S218-S382 PolarHBondContact OG-OG 3.16Å
219	Y	98.9	Very high	98.8	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.1	-80.2	-79.5	0	0	0	112.8	A215 I216 S222 K223 Y256 V259 F261 V381 S382	A215-Y219 VanDerWaalsContact O-CD2 3.27Å; A215-Y219 WeakPolarHBondContact O-CD2 3.48Å; A215-Y219 PolarHBondContact O-N 3.02Å; I216-Y219 PolarHBondContact O-N 3Å; Y219-S222 PolarHBondContact O-N 3.28Å; Y219-K223 WeakPolarHBondContact O-CB 3.06Å; Y219-K223 PolarHBondContact O-N 2.72Å; Y219-Y256 WeakPolarHBondContact CD1-O 3.3Å; Y219-V259 HydrophobicContact CD1-CB 3.76Å; Y219-V259 HydrophobicContact CD1-CG1 3.65Å; Y219-V259 HydrophobicContact CD1-CG2 4.2Å; Y219-V259 HydrophobicContact CD2-CB 4.43Å; Y219-V259 HydrophobicContact CD2-CG2 3.98Å; Y219-V259 HydrophobicContact CE1-CB 3.74Å; Y219-V259 HydrophobicContact CE1-CG1 4.12Å; Y219-V259 HydrophobicContact CE1-CG2 4.25Å; Y219-V259 HydrophobicContact CE2-CB 4.42Å; Y219-V259 HydrophobicContact CE2-CG2 4.04Å; Y219-V259 HydrophobicContact CG-CB 4.13Å; Y219-V259 HydrophobicContact CG-CG1 4Å; Y219-V259 HydrophobicContact CG-CG2 4.08Å; Y219-F261 HydrophobicContact CG-CE1 4.3Å; Y219-V381 HydrophobicContact CE2-CG1 4.21Å; Y219-V381 PolarHBondContact OH-O 2.73Å; Y219-S382 VanDerWaalsContact CA-CB 3.5Å; Y219-S382 VanDerWaalsContact CG-CB 3.47Å
220	T	98.9	Very high	98.8	Very high	71 Å²	71	46 Å²	46	44%	0.436	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-44.5	176.3	-61.1	0	0	0	0	111.6	I216 N217 S218 K223 A224	I216-T220 WeakPolarHBondContact O-CB 3.27Å; I216-T220 PolarHBondContact O-N 3.45Å; I216-T220 PolarHBondContact O-OG1 2.93Å; N217-T220 PolarHBondContact O-N 2.96Å; S218-T220 PolarHBondContact O-N 3Å; T220-K223 PolarHBondContact O-N 3.15Å; T220-A224 WeakPolarHBondContact O-CB 3.21Å; T220-A224 PolarHBondContact O-N 3.42Å
221	R	98.9	Very high	98.8	Very high	44 Å²	44	42.3 Å²	42.3	17%	0.166	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-42.6	178.9	-73.9	175.1	-179.9	-93.4	5.3	112.5	N217 S218 K223 A224 A225 I376	N217-R221 PolarHBondContact ND2-NE 3.46Å; N217-R221 WeakPolarHBondContact O-CB 3.27Å; N217-R221 VanDerWaalsContact O-CG 3.29Å; N217-R221 WeakPolarHBondContact O-CG 3.34Å; N217-R221 PolarHBondContact O-N 3.4Å; N217-R221 PolarHBondContact OD1-NE 2.92Å; S218-R221 PolarHBondContact O-N 2.76Å; R221-K223 PolarHBondContact O-N 2.74Å; R221-A224 PolarHBondContact O-N 2.92Å; R221-A225 VanDerWaalsContact O-CB 3.31Å; R221-A225 WeakPolarHBondContact O-CB 3.36Å; R221-A225 PolarHBondContact O-N 2.84Å; R221-I376 WeakPolarHBondContact CD-O 3.46Å; R221-I376 PolarHBondContact NH1-O 3.47Å; R221-I376 VanDerWaalsContact NH1-O 3.13Å
222	S	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-49.5	174.6	-72.1	0	0	0	0	111.4	S218 Y219 A225 W226 G378 S382 L383	S218-S222 WeakPolarHBondContact O-CB 3.38Å; S218-S222 PolarHBondContact O-N 3.44Å; S218-S222 PolarHBondContact O-OG 2.78Å; Y219-S222 PolarHBondContact O-N 3.28Å; S222-A225 PolarHBondContact O-N 3.03Å; S222-W226 VanDerWaalsContact O-CD1 3.32Å; S222-W226 PolarHBondContact O-N 2.94Å; S222-G378 WeakPolarHBondContact OG-CA 3.37Å; S222-S382 PolarHBondContact OG-OG 3.12Å; S222-L383 VanDerWaalsContact OG-CD2 3.26Å; S222-L383 WeakPolarHBondContact OG-CD2 3.42Å; S222-L383 WeakPolarHBondContact OG-CG 3.42Å
223	K	98.8	Very high	98.5	Very high	108 Å²	108	49.3 Å²	49.3	47%	0.47	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-49.9	177.1	-179.4	174.4	175.5	179.5	0	111.6	Y219 T220 R221 A225 W226 E227 Y256	Y219-K223 WeakPolarHBondContact O-CB 3.06Å; Y219-K223 PolarHBondContact O-N 2.72Å; T220-K223 PolarHBondContact O-N 3.15Å; R221-K223 PolarHBondContact O-N 2.74Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 2.66Å; K223-W226 PolarHBondContact O-N 2.92Å; K223-E227 WeakPolarHBondContact CE-OE1 3.36Å; K223-E227 HydrophobicContact CG-CG 4.38Å; K223-E227 IonicContact NZ-OE1 2.8Å; K223-E227 WeakPolarHBondContact O-CB 3.33Å; K223-E227 WeakPolarHBondContact O-CG 3.27Å; K223-E227 PolarHBondContact O-N 3.48Å; K223-Y256 HydrophobicContact CB-CD2 3.92Å; K223-Y256 HydrophobicContact CB-CE2 4Å; K223-Y256 HydrophobicContact CG-CE2 4.19Å
224	A	98.9	Very high	98.5	Very high	51 Å²	51	46.6 Å²	46.6	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-38.2	180	0	0	0	0	0	112.6	T220 R221 A228	T220-A224 WeakPolarHBondContact O-CB 3.21Å; T220-A224 PolarHBondContact O-N 3.42Å; R221-A224 PolarHBondContact O-N 2.92Å; A224-A228 WeakPolarHBondContact O-CB 3.25Å; A224-A228 PolarHBondContact O-N 2.81Å
225	A	98.8	Very high	98.5	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-39.1	177.9	0	0	0	0	0	112.5	R221 S222 K223 G229 K230 F231 N377	R221-A225 VanDerWaalsContact O-CB 3.31Å; R221-A225 WeakPolarHBondContact O-CB 3.36Å; R221-A225 PolarHBondContact O-N 2.84Å; S222-A225 PolarHBondContact O-N 3.03Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 2.66Å; A225-G229 PolarHBondContact O-N 2.97Å; A225-K230 HydrophobicContact CB-CB 4.35Å; A225-K230 HydrophobicContact CB-CD 4.39Å; A225-K230 WeakPolarHBondContact O-CB 3.19Å; A225-K230 PolarHBondContact O-N 3.36Å; A225-F231 HydrophobicContact CB-CD2 4.47Å; A225-F231 HydrophobicContact CB-CE2 3.57Å; A225-F231 HydrophobicContact CB-CZ 3.81Å; A225-N377 HydrophobicContact CB-CB 3.68Å
226	W	98.8	Very high	98.5	Very high	38 Å²	38	48.5 Å²	48.5	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-49.1	173	-88.3	107.7	0	0	0	111.9	S222 K223 A228 G229 F231 V235 E252 D253 Y256	S222-W226 VanDerWaalsContact O-CD1 3.32Å; S222-W226 PolarHBondContact O-N 2.94Å; K223-W226 PolarHBondContact O-N 2.92Å; W226-A228 VanDerWaalsContact C-N 3.29Å; W226-A228 PolarHBondContact O-N 2.87Å; W226-G229 PolarHBondContact O-N 3.11Å; W226-F231 AromaticContact CD1-CD2 3.82Å; W226-F231 AromaticContact CD1-CE2 3.49Å; W226-F231 VanDerWaalsContact CD1-CE2 3.49Å; W226-F231 AromaticContact CD2-CD2 3.52Å; W226-F231 HydrophobicContact CD2-CD2 3.52Å; W226-F231 HydrophobicContact CD2-CE2 4.03Å; W226-F231 HydrophobicContact CD2-CG 4.49Å; W226-F231 AromaticContact CE2-CD2 3.42Å; W226-F231 VanDerWaalsContact CE2-CD2 3.42Å; W226-F231 AromaticContact CE2-CE2 3.82Å; W226-F231 HydrophobicContact CE3-CD2 4.05Å; W226-F231 AromaticContact CG-CD2 3.75Å; W226-F231 HydrophobicContact CG-CD2 3.75Å; W226-F231 AromaticContact CG-CE2 3.81Å; W226-F231 HydrophobicContact CG-CE2 3.81Å; W226-F231 HydrophobicContact CH2-CB 3.98Å; W226-F231 HydrophobicContact CH2-CD2 4.32Å; W226-F231 HydrophobicContact CH2-CG 4.43Å; W226-F231 HydrophobicContact CZ2-CB 4.18Å; W226-F231 AromaticContact CZ2-CD2 3.85Å; W226-F231 HydrophobicContact CZ2-CD2 3.85Å; W226-F231 HydrophobicContact CZ2-CG 4.14Å; W226-F231 HydrophobicContact CZ3-CB 4.21Å; W226-F231 HydrophobicContact CZ3-CD2 4.43Å; W226-F231 AromaticContact NE1-CD2 3.62Å; W226-F231 AromaticContact NE1-CE2 3.49Å; W226-V235 HydrophobicContact CH2-CB 4.08Å; W226-V235 HydrophobicContact CH2-CG1 4.06Å; W226-V235 HydrophobicContact CH2-CG2 3.85Å; W226-V235 HydrophobicContact CZ2-CG2 4.13Å; W226-E252 HydrophobicContact CD2-CB 4.22Å; W226-E252 HydrophobicContact CE3-CB 3.78Å; W226-E252 VanDerWaalsContact CH2-CA 3.45Å; W226-E252 HydrophobicContact CH2-CB 3.88Å; W226-E252 HydrophobicContact CZ2-CB 4.27Å; W226-E252 HydrophobicContact CZ3-CB 3.6Å; W226-D253 HydrophobicContact CZ2-CB 3.92Å; W226-D253 VanDerWaalsContact CZ2-CG 3.42Å; W226-D253 VanDerWaalsContact CZ2-N 3.26Å; W226-D253 WeakPolarHBondContact CZ2-OD2 3.3Å; W226-D253 PolarHBondContact NE1-OD2 2.75Å; W226-D253 VanDerWaalsContact NE1-OD2 3.09Å; W226-Y256 HydrophobicContact CB-CE1 4.36Å; W226-Y256 HydrophobicContact CB-CE2 4.41Å; W226-Y256 AromaticContact CD1-CD1 3.68Å; W226-Y256 AromaticContact CD1-CE1 3.43Å; W226-Y256 VanDerWaalsContact CD1-CE1 3.43Å; W226-Y256 AromaticContact CD1-CZ 3.85Å; W226-Y256 HydrophobicContact CD2-CE1 4.33Å; W226-Y256 HydrophobicContact CG-CD1 4.45Å; W226-Y256 AromaticContact CG-CE1 3.78Å; W226-Y256 HydrophobicContact CG-CE1 3.78Å; W226-Y256 AromaticContact CG-CZ 3.88Å; W226-Y256 AromaticContact NE1-CD1 3.95Å; W226-Y256 AromaticContact NE1-CE1 3.84Å
227	E	98.7	Very high	98.5	Very high	137 Å²	137	49.7 Å²	49.7	64%	0.64	29%	0.293	S	S	*	.	H	α-helix	trans	-62.2	-35.2	177.9	-72.1	175.8	166.4	0	0	112.4	K223 G229	K223-E227 WeakPolarHBondContact CE-OE1 3.36Å; K223-E227 HydrophobicContact CG-CG 4.38Å; K223-E227 IonicContact NZ-OE1 2.8Å; K223-E227 WeakPolarHBondContact O-CB 3.33Å; K223-E227 WeakPolarHBondContact O-CG 3.27Å; K223-E227 PolarHBondContact O-N 3.48Å; E227-G229 PolarHBondContact O-N 2.82Å
228	A	98.5	Very high	98.5	Very high	68 Å²	68	47.1 Å²	47.1	56%	0.562	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.6	175.5	0	0	0	0	0	114.1	A224 W226 K230	A224-A228 WeakPolarHBondContact O-CB 3.25Å; A224-A228 PolarHBondContact O-N 2.81Å; W226-A228 VanDerWaalsContact C-N 3.29Å; W226-A228 PolarHBondContact O-N 2.87Å; A228-K230 VanDerWaalsContact C-N 3.28Å; A228-K230 HydrophobicContact CB-CG 4.16Å; A228-K230 PolarHBondContact O-N 3.45Å
229	G	98.4	Very high	98.4	Very high	49 Å²	49	50.8 Å²	50.8	51%	0.505	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	20.5	176.9	0	0	0	0	0	114.9	A225 W226 E227 F231 G232	A225-G229 PolarHBondContact O-N 2.97Å; W226-G229 PolarHBondContact O-N 3.11Å; E227-G229 PolarHBondContact O-N 2.82Å; G229-F231 PolarHBondContact O-N 2.86Å; G229-G232 PolarHBondContact O-N 3.4Å; G229-G232 VanDerWaalsContact O-N 3.15Å
230	K	98.4	Very high	98.4	Very high	110 Å²	110	50.8 Å²	50.8	48%	0.478	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	-173.7	-65	-158.3	-173.5	174.4	0	114.2	A225 A228 N377	A225-K230 HydrophobicContact CB-CB 4.35Å; A225-K230 HydrophobicContact CB-CD 4.39Å; A225-K230 WeakPolarHBondContact O-CB 3.19Å; A225-K230 PolarHBondContact O-N 3.36Å; A228-K230 VanDerWaalsContact C-N 3.28Å; A228-K230 HydrophobicContact CB-CG 4.16Å; A228-K230 PolarHBondContact O-N 3.45Å; K230-N377 WeakPolarHBondContact CD-OD1 3.49Å; K230-N377 PolarHBondContact NZ-OD1 3.47Å
231	F	98.6	Very high	98.2	Very high	3 Å²	3	52 Å²	52	1%	0.013	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.2	178.9	-57.3	-66.8	0	0	0	113.9	A225 W226 G229 N233 E234 V235 N377 H397	A225-F231 HydrophobicContact CB-CD2 4.47Å; A225-F231 HydrophobicContact CB-CE2 3.57Å; A225-F231 HydrophobicContact CB-CZ 3.81Å; W226-F231 AromaticContact CD1-CD2 3.82Å; W226-F231 AromaticContact CD1-CE2 3.49Å; W226-F231 VanDerWaalsContact CD1-CE2 3.49Å; W226-F231 AromaticContact CD2-CD2 3.52Å; W226-F231 HydrophobicContact CD2-CD2 3.52Å; W226-F231 HydrophobicContact CD2-CE2 4.03Å; W226-F231 HydrophobicContact CD2-CG 4.49Å; W226-F231 AromaticContact CE2-CD2 3.42Å; W226-F231 VanDerWaalsContact CE2-CD2 3.42Å; W226-F231 AromaticContact CE2-CE2 3.82Å; W226-F231 HydrophobicContact CE3-CD2 4.05Å; W226-F231 AromaticContact CG-CD2 3.75Å; W226-F231 HydrophobicContact CG-CD2 3.75Å; W226-F231 AromaticContact CG-CE2 3.81Å; W226-F231 HydrophobicContact CG-CE2 3.81Å; W226-F231 HydrophobicContact CH2-CB 3.98Å; W226-F231 HydrophobicContact CH2-CD2 4.32Å; W226-F231 HydrophobicContact CH2-CG 4.43Å; W226-F231 HydrophobicContact CZ2-CB 4.18Å; W226-F231 AromaticContact CZ2-CD2 3.85Å; W226-F231 HydrophobicContact CZ2-CD2 3.85Å; W226-F231 HydrophobicContact CZ2-CG 4.14Å; W226-F231 HydrophobicContact CZ3-CB 4.21Å; W226-F231 HydrophobicContact CZ3-CD2 4.43Å; W226-F231 AromaticContact NE1-CD2 3.62Å; W226-F231 AromaticContact NE1-CE2 3.49Å; G229-F231 PolarHBondContact O-N 2.86Å; F231-N233 PolarHBondContact O-N 2.93Å; F231-N233 VanDerWaalsContact O-N 3.11Å; F231-E234 PolarHBondContact O-N 3.46Å; F231-V235 HydrophobicContact CB-CG2 3.9Å; F231-V235 PolarHBondContact O-N 3.29Å; F231-N377 HydrophobicContact CZ-CB 4.33Å; F231-H397 AromaticContact CE1-CE1 3.66Å; F231-H397 AromaticContact CE1-ND1 3.82Å
232	G	96.8	Very high	98.1	Very high	58 Å²	58	52.1 Å²	52.1	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.1	-171.3	0	0	0	0	0	115.5	G229	G229-G232 PolarHBondContact O-N 3.4Å; G229-G232 VanDerWaalsContact O-N 3.15Å
233	N	96	Very high	97.9	Very high	98 Å²	98	62.4 Å²	62.4	52%	0.524	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-9	174.7	-76.5	-41.6	0	0	0	114.1	K78 F231 H400	K78-N233 PolarHBondContact NZ-OD1 3.38Å; F231-N233 PolarHBondContact O-N 2.93Å; F231-N233 VanDerWaalsContact O-N 3.11Å; N233-H400 PolarHBondContact O-CE1 2.95Å
234	E	97.9	Very high	97.8	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.014	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-38.7	-175.2	-169.9	-170.9	135.7	0	0	111.4	T48 R49 F231 H397	T48-E234 CarbonylContact C-O 3.55Å; T48-E234 WeakPolarHBondContact CA-O 3.41Å; R49-E234 VanDerWaalsContact CD-OE1 3.26Å; R49-E234 WeakPolarHBondContact CD-OE1 3.22Å; R49-E234 HydrophobicContact CG-CG 4.14Å; R49-E234 IonicContact CZ-OE1 3.4Å; R49-E234 PolarHBondContact N-O 3.04Å; R49-E234 IonicContact NE-OE1 3.54Å; R49-E234 PolarHBondContact NE-OE1 3.37Å; R49-E234 IonicContact NH2-OE1 3.65Å; F231-E234 PolarHBondContact O-N 3.46Å; E234-H397 IonicContact OE2-CE1 3.81Å; E234-H397 IonicContact OE2-CG 3.44Å; E234-H397 IonicContact OE2-ND1 3.79Å; E234-H397 PolarHBondContact OE2-ND1 3.17Å
235	V	98.9	Very high	97.6	Very high	17 Å²	17	65 Å²	65	10%	0.103	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-99.5	130.6	-175.3	179.3	0	0	0	0	111.4	R49 P51 W226 F231	R49-V235 HydrophobicContact CG-CG2 3.94Å; R49-V235 WeakPolarHBondContact O-CA 3.44Å; P51-V235 HydrophobicContact CB-CG1 4.44Å; P51-V235 HydrophobicContact CG-CG1 3.85Å; W226-V235 HydrophobicContact CH2-CB 4.08Å; W226-V235 HydrophobicContact CH2-CG1 4.06Å; W226-V235 HydrophobicContact CH2-CG2 3.85Å; W226-V235 HydrophobicContact CZ2-CG2 4.13Å; F231-V235 HydrophobicContact CB-CG2 3.9Å; F231-V235 PolarHBondContact O-N 3.29Å
236	I	98.7	Very high	97.5	Very high	42 Å²	42	70.2 Å²	70.2	22%	0.215	42%	0.422	C	S	.	.			trans	-105.8	137.1	168.5	55.9	-178.2	0	0	0	110.1	T48 R49 P51 I70	T48-I236 HydrophobicContact CG2-CB 4.19Å; T48-I236 HydrophobicContact CG2-CD1 3.76Å; T48-I236 HydrophobicContact CG2-CG1 3.87Å; T48-I236 HydrophobicContact CG2-CG2 3.41Å; T48-I236 VanDerWaalsContact CG2-CG2 3.41Å; R49-I236 WeakPolarHBondContact O-CG1 3.11Å; R49-I236 PolarHBondContact O-N 2.95Å; P51-I236 WeakPolarHBondContact CD-O 3.43Å; I70-I236 HydrophobicContact CG2-CD1 3.62Å; I70-I236 HydrophobicContact CG2-CG1 4.19Å; I70-I236 WeakPolarHBondContact O-CD1 3.43Å
237	P	98.5	Very high	97.4	Very high	80 Å²	80	73 Å²	73	52%	0.519	44%	0.44	S	S	.	.			trans	-67.7	151.2	178.8	29.4	-35	0	0	0	111.7	V249 V250 K251	P237-V249 HydrophobicContact CB-CG1 3.97Å; P237-V250 CarbonylContact C-O 3.49Å; P237-V250 VanDerWaalsContact CA-O 3.31Å; P237-V250 WeakPolarHBondContact CA-O 3.18Å; P237-K251 HydrophobicContact CB-CB 4Å
238	V	98.7	Very high	97.4	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.012	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.7	177.6	178.6	0	0	0	0	109	T50 L59 L62 I70 V240 V250	T50-V238 HydrophobicContact CG2-CG2 3.94Å; L59-V238 HydrophobicContact CD2-CB 4.04Å; L59-V238 HydrophobicContact CD2-CG1 3.89Å; L62-V238 HydrophobicContact CD1-CG1 3.48Å; L62-V238 VanDerWaalsContact CD1-CG1 3.48Å; I70-V238 HydrophobicContact CD1-CG1 3.89Å; I70-V238 HydrophobicContact CD1-CG2 4.29Å; I70-V238 HydrophobicContact CG2-CG2 4.16Å; V238-V240 HydrophobicContact CG1-CG2 4.37Å; V238-V250 PolarHBondContact N-O 3.17Å; V238-V250 PolarHBondContact O-N 3.36Å
239	T	98.2	Very high	97.4	Very high	76 Å²	76	71.3 Å²	71.3	47%	0.466	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.5	171.1	-54.1	0	0	0	0	109.8	D247 V248	T239-D247 HydrophobicContact CG2-CB 3.81Å; T239-V248 WeakPolarHBondContact CA-O 3.47Å
240	V	97.6	Very high	97.4	Very high	10 Å²	10	69.6 Å²	69.6	6%	0.061	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.3	174.5	-177.3	0	0	0	0	108.3	L59 L61 L62 V238 V248 V250	L59-V240 HydrophobicContact CD2-CG2 4.12Å; L61-V240 HydrophobicContact CB-CG1 4.39Å; L61-V240 HydrophobicContact CD1-CG1 4.08Å; L62-V240 HydrophobicContact CD1-CG2 4.22Å; V238-V240 HydrophobicContact CG1-CG2 4.37Å; V240-V248 PolarHBondContact N-O 3Å; V240-V248 PolarHBondContact O-N 3.35Å; V240-V250 HydrophobicContact CG2-CG2 4.2Å
241	T	96.1	Very high	97.4	Very high	97 Å²	97	71.1 Å²	71.1	60%	0.595	42%	0.418	S	S	*	.			trans	-108.5	125.1	-177.6	-62	0	0	0	0	110.3	D247	T241-D247 WeakPolarHBondContact CA-OD1 3.33Å; T241-D247 VanDerWaalsContact CB-OD1 3.25Å; T241-D247 WeakPolarHBondContact CB-OD1 3.43Å; T241-D247 VanDerWaalsContact CG2-OD1 3.25Å; T241-D247 WeakPolarHBondContact CG2-OD1 3.43Å; T241-D247 PolarHBondContact OG1-OD1 2.98Å
242	V	96.1	Very high	97.4	Very high	46 Å²	46	73.9 Å²	73.9	28%	0.279	43%	0.431	S	S	.	.			trans	-120.6	124.3	173.4	179.2	0	0	0	0	108.3	L61 G244 Q245	L61-V242 HydrophobicContact CD1-CG2 3.38Å; V242-G244 PolarHBondContact O-N 3.11Å; V242-G244 VanDerWaalsContact O-N 3.13Å; V242-Q245 HydrophobicContact CB-CB 4.16Å; V242-Q245 HydrophobicContact CB-CG 4.36Å; V242-Q245 HydrophobicContact CG1-CB 4.46Å; V242-Q245 HydrophobicContact CG1-CG 4.14Å; V242-Q245 PolarHBondContact O-N 3.16Å
243	K	95.2	Very high	97.5	Very high	216 Å²	216	71.1 Å²	71.1	94%	0.939	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	121.9	-178.4	-175.4	179.5	178.8	-179.1	0	110.4
244	G	95.3	Very high	97.7	Very high	85 Å²	85	68.3 Å²	68.3	88%	0.876	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	5.5	-179.1	0	0	0	0	0	114.9	V242	V242-G244 PolarHBondContact O-N 3.11Å; V242-G244 VanDerWaalsContact O-N 3.13Å
245	Q	96.5	Very high	97.7	Very high	127 Å²	127	69 Å²	69	59%	0.593	39%	0.389	S	S	*	.	S	Bend	trans	-122.1	156.5	171.1	-59.7	-173.5	6.8	0	0	110.5	V242	V242-Q245 HydrophobicContact CB-CB 4.16Å; V242-Q245 HydrophobicContact CB-CG 4.36Å; V242-Q245 HydrophobicContact CG1-CB 4.46Å; V242-Q245 HydrophobicContact CG1-CG 4.14Å; V242-Q245 PolarHBondContact O-N 3.16Å
246	P	96.1	Very high	97.7	Very high	113 Å²	113	69.3 Å²	69.3	73%	0.734	39%	0.389	S	S	*	.			trans	-60.6	145.7	169.8	-19.8	32.3	0	0	0	111.4
247	D	97.3	Very high	97.7	Very high	96 Å²	96	72.1 Å²	72.1	51%	0.513	40%	0.4	S	S	.	.			trans	-62	138.2	172.4	-77.3	-17.5	0	0	0	111.1	T239 T241	T239-D247 HydrophobicContact CG2-CB 3.81Å; T241-D247 WeakPolarHBondContact CA-OD1 3.33Å; T241-D247 VanDerWaalsContact CB-OD1 3.25Å; T241-D247 WeakPolarHBondContact CB-OD1 3.43Å; T241-D247 VanDerWaalsContact CG2-OD1 3.25Å; T241-D247 WeakPolarHBondContact CG2-OD1 3.43Å; T241-D247 PolarHBondContact OG1-OD1 2.98Å
248	V	98.1	Very high	97.7	Very high	85 Å²	85	75 Å²	75	52%	0.515	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.3	175.6	179.7	0	0	0	0	109.1	T239 V240 V250	T239-V248 WeakPolarHBondContact CA-O 3.47Å; V240-V248 PolarHBondContact N-O 3Å; V240-V248 PolarHBondContact O-N 3.35Å; V248-V250 HydrophobicContact CG1-CG2 4.39Å
249	V	98.5	Very high	97.7	Very high	85 Å²	85	77.2 Å²	77.2	52%	0.515	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107.1	176	-176.5	0	0	0	0	109.5	P237	P237-V249 HydrophobicContact CB-CG1 3.97Å
250	V	98.7	Very high	97.7	Very high	13 Å²	13	76.9 Å²	76.9	8%	0.079	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.9	172.8	-170.8	0	0	0	0	107.9	P51 S58 L59 P237 V238 V240 V248	P51-V250 HydrophobicContact CB-CG1 3.99Å; P51-V250 HydrophobicContact CG-CG1 4.02Å; P51-V250 WeakPolarHBondContact CG-O 3.47Å; S58-V250 WeakPolarHBondContact OG-CG1 3.19Å; L59-V250 HydrophobicContact CD2-CB 4.02Å; L59-V250 HydrophobicContact CD2-CG1 4.18Å; L59-V250 HydrophobicContact CD2-CG2 3.9Å; L59-V250 HydrophobicContact CG-CG1 4.46Å; P237-V250 CarbonylContact C-O 3.49Å; P237-V250 VanDerWaalsContact CA-O 3.31Å; P237-V250 WeakPolarHBondContact CA-O 3.18Å; V238-V250 PolarHBondContact N-O 3.17Å; V238-V250 PolarHBondContact O-N 3.36Å; V240-V250 HydrophobicContact CG2-CG2 4.2Å; V248-V250 HydrophobicContact CG1-CG2 4.39Å
251	K	98.5	Very high	97.7	Very high	141 Å²	141	80.8 Å²	80.8	61%	0.613	43%	0.425	S	S	*	.			trans	-119.4	-5	-174	64.4	178.7	-179.8	176.7	0	114.6	P237	P237-K251 HydrophobicContact CB-CB 4Å
252	E	98.7	Very high	97.8	Very high	62 Å²	62	79.4 Å²	79.4	29%	0.29	42%	0.42	S	S	.	.	S	Bend	trans	-143.9	154.9	-177.9	63.6	178.2	-114.8	0	0	111.2	P51 W226 E254 Y256 K257	P51-E252 WeakPolarHBondContact CB-O 3.32Å; W226-E252 HydrophobicContact CD2-CB 4.22Å; W226-E252 HydrophobicContact CE3-CB 3.78Å; W226-E252 VanDerWaalsContact CH2-CA 3.45Å; W226-E252 HydrophobicContact CH2-CB 3.88Å; W226-E252 HydrophobicContact CZ2-CB 4.27Å; W226-E252 HydrophobicContact CZ3-CB 3.6Å; E252-E254 PolarHBondContact O-N 3.37Å; E252-Y256 PolarHBondContact OE1-OH 2.93Å; E252-K257 WeakPolarHBondContact OE1-CD 3.39Å; E252-K257 WeakPolarHBondContact OE1-CE 3.11Å; E252-K257 IonicContact OE1-NZ 2.83Å; E252-K257 PolarHBondContact OE1-NZ 3.31Å
253	D	98.9	Very high	97.9	Very high	0 Å²	0	82.9 Å²	82.9	0%	0	43%	0.431	C	S	.	.			trans	-60	135.8	178	-64.5	-32.2	0	0	0	110.3	R49 P51 I52 W226 Y256 K257 L383	R49-D253 IonicContact CZ-OD1 2.68Å; R49-D253 IonicContact CZ-OD2 2.74Å; R49-D253 IonicContact NH1-OD1 3.06Å; R49-D253 PolarHBondContact NH1-OD1 3.25Å; R49-D253 IonicContact NH1-OD2 2.66Å; R49-D253 PolarHBondContact NH1-OD2 3.1Å; R49-D253 IonicContact NH2-OD1 2.74Å; R49-D253 IonicContact NH2-OD2 3.99Å; R49-D253 PolarHBondContact NH2-OD2 3.24Å; P51-D253 WeakPolarHBondContact CA-OD1 3.44Å; I52-D253 PolarHBondContact N-OD1 3.16Å; W226-D253 HydrophobicContact CZ2-CB 3.92Å; W226-D253 VanDerWaalsContact CZ2-CG 3.42Å; W226-D253 VanDerWaalsContact CZ2-N 3.26Å; W226-D253 WeakPolarHBondContact CZ2-OD2 3.3Å; W226-D253 PolarHBondContact NE1-OD2 2.75Å; W226-D253 VanDerWaalsContact NE1-OD2 3.09Å; D253-Y256 HydrophobicContact CB-CD1 4.13Å; D253-Y256 VanDerWaalsContact O-CD1 3.27Å; D253-Y256 WeakPolarHBondContact O-CD1 3.33Å; D253-Y256 WeakPolarHBondContact O-CE1 3.41Å; D253-K257 PolarHBondContact O-NZ 3.26Å; D253-L383 HydrophobicContact CB-CD2 4.27Å
254	E	98.8	Very high	98	Very high	38 Å²	38	72.8 Å²	72.8	18%	0.178	39%	0.387	C	S	.	.	S	Bend	trans	-78.2	-42.1	-174	-167.6	-174.7	162.6	0	0	111.9	I52 S54 S58 E252 Y256 R258	I52-E254 PolarHBondContact O-N 3.17Å; S54-E254 WeakPolarHBondContact CB-OE2 3.5Å; S54-E254 PolarHBondContact N-OE2 3.03Å; S58-E254 WeakPolarHBondContact CB-OE2 3.31Å; S58-E254 PolarHBondContact N-OE2 3.17Å; S58-E254 PolarHBondContact OG-OE2 2.9Å; E252-E254 PolarHBondContact O-N 3.37Å; E254-Y256 PolarHBondContact O-N 3.06Å; E254-R258 IonicContact OE1-CZ 2.88Å; E254-R258 IonicContact OE1-NH1 2.74Å; E254-R258 PolarHBondContact OE1-NH1 2.77Å
255	E	98.8	Very high	98.1	Very high	17 Å²	17	72.8 Å²	72.8	8%	0.079	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-68.8	-37.1	-160	-163.2	69.3	-122.7	0	0	114.3	S54 K257 R258 T285 N287 S382	S54-E255 WeakPolarHBondContact CA-OE2 3.36Å; S54-E255 VanDerWaalsContact CB-OE2 3.31Å; S54-E255 WeakPolarHBondContact CB-OE2 3.12Å; S54-E255 VanDerWaalsContact OG-CD 3.29Å; S54-E255 PolarHBondContact OG-OE2 2.68Å; E255-K257 PolarHBondContact O-N 2.92Å; E255-R258 WeakPolarHBondContact O-CB 3.48Å; E255-R258 PolarHBondContact O-N 3.16Å; E255-T285 HydrophobicContact CG-CG2 4.27Å; E255-T285 VanDerWaalsContact CG-OG1 3.31Å; E255-T285 WeakPolarHBondContact CG-OG1 3.44Å; E255-T285 PolarHBondContact OE2-OG1 2.72Å; E255-N287 PolarHBondContact OE2-ND2 3.26Å; E255-S382 CarbonylContact C-O 3.58Å; E255-S382 VanDerWaalsContact C-O 3.24Å; E255-S382 WeakPolarHBondContact CB-O 3.49Å
256	Y	98.7	Very high	98.2	Very high	24 Å²	24	74.4 Å²	74.4	9%	0.094	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-66.2	-14.2	-170.9	80	-87.5	0	0	0	113.6	Y219 K223 W226 E252 D253 E254 S382	Y219-Y256 WeakPolarHBondContact CD1-O 3.3Å; K223-Y256 HydrophobicContact CB-CD2 3.92Å; K223-Y256 HydrophobicContact CB-CE2 4Å; K223-Y256 HydrophobicContact CG-CE2 4.19Å; W226-Y256 HydrophobicContact CB-CE1 4.36Å; W226-Y256 HydrophobicContact CB-CE2 4.41Å; W226-Y256 AromaticContact CD1-CD1 3.68Å; W226-Y256 AromaticContact CD1-CE1 3.43Å; W226-Y256 VanDerWaalsContact CD1-CE1 3.43Å; W226-Y256 AromaticContact CD1-CZ 3.85Å; W226-Y256 HydrophobicContact CD2-CE1 4.33Å; W226-Y256 HydrophobicContact CG-CD1 4.45Å; W226-Y256 AromaticContact CG-CE1 3.78Å; W226-Y256 HydrophobicContact CG-CE1 3.78Å; W226-Y256 AromaticContact CG-CZ 3.88Å; W226-Y256 AromaticContact NE1-CD1 3.95Å; W226-Y256 AromaticContact NE1-CE1 3.84Å; E252-Y256 PolarHBondContact OE1-OH 2.93Å; D253-Y256 HydrophobicContact CB-CD1 4.13Å; D253-Y256 VanDerWaalsContact O-CD1 3.27Å; D253-Y256 WeakPolarHBondContact O-CD1 3.33Å; D253-Y256 WeakPolarHBondContact O-CE1 3.41Å; E254-Y256 PolarHBondContact O-N 3.06Å; Y256-S382 WeakPolarHBondContact CA-O 3.31Å; Y256-S382 WeakPolarHBondContact CB-O 3.27Å; Y256-S382 PolarHBondContact N-O 2.53Å
257	K	98.7	Very high	98.3	Very high	102 Å²	102	72.1 Å²	72.1	44%	0.443	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-87.9	-13.9	176.3	-58.2	179.4	-70.3	-89.6	0	112.7	E252 D253 E255 V259	E252-K257 WeakPolarHBondContact OE1-CD 3.39Å; E252-K257 WeakPolarHBondContact OE1-CE 3.11Å; E252-K257 IonicContact OE1-NZ 2.83Å; E252-K257 PolarHBondContact OE1-NZ 3.31Å; D253-K257 PolarHBondContact O-NZ 3.26Å; E255-K257 PolarHBondContact O-N 2.92Å; K257-V259 VanDerWaalsContact C-N 3.28Å; K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.16Å
258	R	98.2	Very high	98.3	Very high	141 Å²	141	76.3 Å²	76.3	53%	0.532	37%	0.372	S	S	.	.	S	Bend	trans	-91.9	53.1	-172.4	-54.3	-174.3	78.6	151.3	-3.3	111.5	S54 E254 E255	S54-R258 VanDerWaalsContact CB-NH1 3.26Å; S54-R258 VanDerWaalsContact OG-CD 3.3Å; S54-R258 WeakPolarHBondContact OG-CD 3.31Å; E254-R258 IonicContact OE1-CZ 2.88Å; E254-R258 IonicContact OE1-NH1 2.74Å; E254-R258 PolarHBondContact OE1-NH1 2.77Å; E255-R258 WeakPolarHBondContact O-CB 3.48Å; E255-R258 PolarHBondContact O-N 3.16Å
259	V	98.1	Very high	98.3	Very high	47 Å²	47	73.9 Å²	73.9	29%	0.285	36%	0.357	S	S	.	.			trans	-136.6	142.1	-176.5	67.8	0	0	0	0	112.2	Y219 K257 F261 V264	Y219-V259 HydrophobicContact CD1-CB 3.76Å; Y219-V259 HydrophobicContact CD1-CG1 3.65Å; Y219-V259 HydrophobicContact CD1-CG2 4.2Å; Y219-V259 HydrophobicContact CD2-CB 4.43Å; Y219-V259 HydrophobicContact CD2-CG2 3.98Å; Y219-V259 HydrophobicContact CE1-CB 3.74Å; Y219-V259 HydrophobicContact CE1-CG1 4.12Å; Y219-V259 HydrophobicContact CE1-CG2 4.25Å; Y219-V259 HydrophobicContact CE2-CB 4.42Å; Y219-V259 HydrophobicContact CE2-CG2 4.04Å; Y219-V259 HydrophobicContact CG-CB 4.13Å; Y219-V259 HydrophobicContact CG-CG1 4Å; Y219-V259 HydrophobicContact CG-CG2 4.08Å; K257-V259 VanDerWaalsContact C-N 3.28Å; K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.16Å; V259-F261 HydrophobicContact CB-CE1 4.35Å; V259-F261 HydrophobicContact CG1-CD1 4.26Å; V259-F261 HydrophobicContact CG1-CE1 3.69Å; V259-F261 HydrophobicContact CG1-CZ 4.11Å; V259-F261 HydrophobicContact CG2-CD1 3.67Å; V259-F261 HydrophobicContact CG2-CE1 3.68Å; V259-V264 HydrophobicContact CG2-CG2 4.39Å
260	D	98.2	Very high	98.2	Very high	70 Å²	70	73.8 Å²	73.8	37%	0.374	36%	0.356	S	S	.	.			trans	-123.6	101.7	168.1	177.3	-10.6	0	0	0	108	S262 K263 V264	D260-S262 PolarHBondContact O-N 3.18Å; D260-S262 VanDerWaalsContact O-N 3.15Å; D260-S262 WeakPolarHBondContact OD1-CB 3.48Å; D260-S262 PolarHBondContact OD1-N 2.83Å; D260-S262 PolarHBondContact OD1-OG 3.3Å; D260-K263 HydrophobicContact CB-CB 4.24Å; D260-K263 HydrophobicContact CB-CD 4.13Å; D260-K263 HydrophobicContact CB-CG 4.25Å; D260-K263 PolarHBondContact O-N 2.91Å; D260-K263 VanDerWaalsContact OD2-CD 3.26Å; D260-K263 WeakPolarHBondContact OD2-CD 3.33Å; D260-K263 WeakPolarHBondContact OD2-CE 3.35Å; D260-K263 WeakPolarHBondContact OD2-CG 3.42Å; D260-K263 IonicContact OD2-NZ 2.88Å; D260-V264 PolarHBondContact O-N 3.27Å
261	F	97.9	Very high	98.1	Very high	92 Å²	92	75.9 Å²	75.9	40%	0.404	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.3	-176.6	-62.7	-34	0	0	0	113	I216 Y219 V259 K263 V264	I216-F261 HydrophobicContact CG1-CD1 4.08Å; I216-F261 HydrophobicContact CG2-CD1 4.25Å; I216-F261 HydrophobicContact CG2-CE1 4.28Å; Y219-F261 HydrophobicContact CG-CE1 4.3Å; V259-F261 HydrophobicContact CB-CE1 4.35Å; V259-F261 HydrophobicContact CG1-CD1 4.26Å; V259-F261 HydrophobicContact CG1-CE1 3.69Å; V259-F261 HydrophobicContact CG1-CZ 4.11Å; V259-F261 HydrophobicContact CG2-CD1 3.67Å; V259-F261 HydrophobicContact CG2-CE1 3.68Å; F261-K263 PolarHBondContact O-N 3.33Å; F261-V264 PolarHBondContact O-N 2.93Å
262	S	97.9	Very high	98	Very high	68 Å²	68	72.8 Å²	72.8	48%	0.476	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20	178	81	0	0	0	0	113.2	D260 K266	D260-S262 PolarHBondContact O-N 3.18Å; D260-S262 VanDerWaalsContact O-N 3.15Å; D260-S262 WeakPolarHBondContact OD1-CB 3.48Å; D260-S262 PolarHBondContact OD1-N 2.83Å; D260-S262 PolarHBondContact OD1-OG 3.3Å; S262-K266 WeakPolarHBondContact O-CE 3.34Å
263	K	98.2	Very high	97.7	Very high	119 Å²	119	79.7 Å²	79.7	52%	0.517	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-24.7	178.7	-73.3	-177.8	-175.5	174.3	0	113.3	D260 F261 K266 L267	D260-K263 HydrophobicContact CB-CB 4.24Å; D260-K263 HydrophobicContact CB-CD 4.13Å; D260-K263 HydrophobicContact CB-CG 4.25Å; D260-K263 PolarHBondContact O-N 2.91Å; D260-K263 VanDerWaalsContact OD2-CD 3.26Å; D260-K263 WeakPolarHBondContact OD2-CD 3.33Å; D260-K263 WeakPolarHBondContact OD2-CE 3.35Å; D260-K263 WeakPolarHBondContact OD2-CG 3.42Å; D260-K263 IonicContact OD2-NZ 2.88Å; F261-K263 PolarHBondContact O-N 3.33Å; K263-K266 WeakPolarHBondContact O-CA 3.5Å; K263-K266 WeakPolarHBondContact O-CB 3.33Å; K263-K266 PolarHBondContact O-N 3.38Å; K263-L267 PolarHBondContact O-N 2.85Å
264	V	98.1	Very high	97.5	Very high	4 Å²	4	87 Å²	87	2%	0.024	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-44.9	-57.6	-178.8	174.8	0	0	0	0	112.4	R208 D212 I216 V259 D260 F261 K266 L267 A281	R208-V264 PolarHBondContact NH2-O 3.29Å; D212-V264 HydrophobicContact CB-CG1 3.72Å; I216-V264 HydrophobicContact CD1-CB 4.44Å; I216-V264 HydrophobicContact CD1-CG1 4.25Å; I216-V264 HydrophobicContact CG1-CG1 4.27Å; I216-V264 HydrophobicContact CG1-CG2 4.34Å; V259-V264 HydrophobicContact CG2-CG2 4.39Å; D260-V264 PolarHBondContact O-N 3.27Å; F261-V264 PolarHBondContact O-N 2.93Å; V264-K266 PolarHBondContact O-N 3.13Å; V264-K266 VanDerWaalsContact O-N 3.12Å; V264-L267 PolarHBondContact O-N 3.1Å; V264-A281 HydrophobicContact CG1-CB 4.29Å; V264-A281 HydrophobicContact CG2-CB 4.07Å
265	P	97.9	Very high	97.2	Very high	85 Å²	85	92.7 Å²	92.7	55%	0.552	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.6	-178.9	28.1	-36.2	0	0	0	114.3	D212	D212-P265 WeakPolarHBondContact OD2-CA 3.15Å
266	K	98.2	Very high	97.2	Very high	161 Å²	161	92.5 Å²	92.5	70%	0.7	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-92.9	-11.2	-178.1	-57.7	175.9	-175	167	0	112.8	S262 K263 V264	S262-K266 WeakPolarHBondContact O-CE 3.34Å; K263-K266 WeakPolarHBondContact O-CA 3.5Å; K263-K266 WeakPolarHBondContact O-CB 3.33Å; K263-K266 PolarHBondContact O-N 3.38Å; V264-K266 PolarHBondContact O-N 3.13Å; V264-K266 VanDerWaalsContact O-N 3.12Å
267	L	97.9	Very high	97.2	Very high	64 Å²	64	92.2 Å²	92.2	34%	0.335	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-67.4	139.8	-179.4	-68.7	177.5	0	0	0	111.3	R208 K263 V264 T279 A281	R208-L267 PolarHBondContact NH1-O 3.29Å; R208-L267 PolarHBondContact NH2-O 2.91Å; K263-L267 PolarHBondContact O-N 2.85Å; V264-L267 PolarHBondContact O-N 3.1Å; L267-T279 HydrophobicContact CB-CG2 4.12Å; L267-A281 HydrophobicContact CD1-CB 3.46Å; L267-A281 VanDerWaalsContact CD1-CB 3.46Å
268	K	97.9	Very high	97.2	Very high	185 Å²	185	87.4 Å²	87.4	80%	0.804	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-72.6	149.6	171.2	-64.4	-177	-179.6	-179.8	0	109.9
269	T	97.9	Very high	97.2	Very high	33 Å²	33	80.7 Å²	80.7	20%	0.202	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-74.5	130.6	173	52.3	0	0	0	0	109.4	Q272 G276 I278 T279	T269-Q272 WeakPolarHBondContact CB-O 3.36Å; T269-Q272 PolarHBondContact OG1-O 2.96Å; T269-G276 WeakPolarHBondContact CG2-O 3.48Å; T269-I278 WeakPolarHBondContact CA-O 3.43Å; T269-T279 HydrophobicContact CG2-CG2 4.23Å
270	V	97	Very high	97.2	Very high	83 Å²	83	81.4 Å²	81.4	50%	0.503	42%	0.415	S	S	.	.	S	Bend	trans	-99.8	-20.8	-166.4	-63.7	0	0	0	0	113.5	I278	V270-I278 PolarHBondContact N-O 2.86Å; V270-I278 VanDerWaalsContact N-O 3.16Å
271	F	96.3	Very high	97.2	Very high	57 Å²	57	78.5 Å²	78.5	25%	0.25	40%	0.401	C	S	.	.	S	Bend	trans	-105.5	-14.8	-176.8	-56.3	-61.9	0	0	0	114.1	H192 S195 I278 A283 F356	H192-F271 HydrophobicContact CB-CD1 4.08Å; H192-F271 HydrophobicContact CB-CE1 4.43Å; H192-F271 AromaticContact CE1-CE1 3.27Å; H192-F271 WeakPolarHBondContact CE1-CE1 3.39Å; H192-F271 AromaticContact CE1-CZ 3.59Å; H192-F271 AromaticContact CG-CD1 3.85Å; H192-F271 AromaticContact CG-CE1 3.69Å; H192-F271 AromaticContact ND1-CD1 3.41Å; H192-F271 WeakPolarHBondContact ND1-CD1 3.18Å; H192-F271 AromaticContact ND1-CE1 3.01Å; H192-F271 WeakPolarHBondContact ND1-CE1 3.41Å; H192-F271 AromaticContact ND1-CZ 3.59Å; H192-F271 AromaticContact NE2-CE1 3.98Å; S195-F271 PolarHBondContact OG-O 3.43Å; S195-F271 VanDerWaalsContact OG-O 3.13Å; F271-I278 HydrophobicContact CD2-CB 3.93Å; F271-I278 HydrophobicContact CD2-CG2 3.45Å; F271-I278 VanDerWaalsContact CD2-CG2 3.45Å; F271-I278 HydrophobicContact CE2-CG2 3.58Å; F271-A283 HydrophobicContact CE2-CB 4.47Å; F271-F356 AromaticContact CE2-CE1 3.93Å; F271-F356 HydrophobicContact CE2-CE1 3.93Å
272	Q	96.7	Very high	97.3	Very high	77 Å²	77	74.1 Å²	74.1	36%	0.36	38%	0.382	S	S	.	.			trans	-149.9	127.5	178.4	-176	172.7	-31.7	0	0	110	E198 T269 E274	E198-Q272 VanDerWaalsContact CB-OE1 3.27Å; E198-Q272 HydrophobicContact CG-CB 4Å; T269-Q272 WeakPolarHBondContact CB-O 3.36Å; T269-Q272 PolarHBondContact OG1-O 2.96Å; Q272-E274 WeakPolarHBondContact CG-O 3.41Å; Q272-E274 PolarHBondContact NE2-O 2.85Å
273	K	92.3	Very high	97.3	Very high	206 Å²	206	71.1 Å²	71.1	90%	0.896	36%	0.361	S	S	*	.	S	Bend	trans	-76.2	-46.6	-178.7	-71.6	-178.9	179	177.5	0	112.5
274	E	93.9	Very high	97.3	Very high	155 Å²	155	66.8 Å²	66.8	72%	0.724	35%	0.346	S	S	*	.	S	Bend	trans	-91.4	120.4	-176.3	-65.3	-175.6	178.6	0	0	110.3	Q272 G276	Q272-E274 WeakPolarHBondContact CG-O 3.41Å; Q272-E274 PolarHBondContact NE2-O 2.85Å; E274-G276 PolarHBondContact O-N 2.82Å
275	N	93.1	Very high	97.3	Very high	157 Å²	157	68.1 Å²	68.1	84%	0.84	35%	0.354	S	S	*	.	S	Bend	trans	51.4	32.5	176.7	-53.9	-36.8	0	0	0	114.1
276	G	97.5	Very high	97.4	Very high	13 Å²	13	66.6 Å²	66.6	13%	0.134	34%	0.341	C	S	.	.			trans	-70.4	160.4	172.7	0	0	0	0	0	111.7	E198 T269 E274	E198-G276 VanDerWaalsContact OE1-CA 3.29Å; E198-G276 WeakPolarHBondContact OE1-CA 3.42Å; T269-G276 WeakPolarHBondContact CG2-O 3.48Å; E274-G276 PolarHBondContact O-N 2.82Å
277	T	98.8	Very high	97.4	Very high	18 Å²	18	59 Å²	59	11%	0.11	31%	0.308	C	S	.	.			trans	-129.7	-22.2	179.9	62	0	0	0	0	112.7	E198 R208 Q211 N282	E198-T277 PolarHBondContact OE1-N 2.91Å; E198-T277 PolarHBondContact OE2-N 2.81Å; E198-T277 PolarHBondContact OE2-OG1 3.42Å; R208-T277 HydrophobicContact CB-CG2 4.27Å; R208-T277 WeakPolarHBondContact CD-O 3.47Å; Q211-T277 PolarHBondContact NE2-OG1 2.61Å; T277-N282 PolarHBondContact O-ND2 3.28Å
278	I	98.7	Very high	97.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.			trans	-87.5	127.3	-175.9	-53.2	-75.7	0	0	0	110.5	A197 E198 T269 V270 F271 N282 A283 F356 L358	A197-I278 HydrophobicContact CB-CD1 3.93Å; A197-I278 HydrophobicContact CB-CG1 4.2Å; E198-I278 HydrophobicContact CG-CB 4.42Å; E198-I278 HydrophobicContact CG-CG1 3.89Å; E198-I278 PolarHBondContact OE1-N 3.37Å; T269-I278 WeakPolarHBondContact CA-O 3.43Å; V270-I278 PolarHBondContact N-O 2.86Å; V270-I278 VanDerWaalsContact N-O 3.16Å; F271-I278 HydrophobicContact CD2-CB 3.93Å; F271-I278 HydrophobicContact CD2-CG2 3.45Å; F271-I278 VanDerWaalsContact CD2-CG2 3.45Å; F271-I278 HydrophobicContact CE2-CG2 3.58Å; I278-N282 WeakPolarHBondContact CA-OD1 3.45Å; I278-A283 HydrophobicContact CG2-CB 4.05Å; I278-F356 HydrophobicContact CD1-CB 4.19Å; I278-F356 HydrophobicContact CD1-CD1 4.14Å; I278-F356 HydrophobicContact CD1-CG 4.37Å; I278-F356 HydrophobicContact CG2-CD1 3.64Å; I278-F356 HydrophobicContact CG2-CE1 3.92Å; I278-L358 HydrophobicContact CD1-CB 3.86Å; I278-L358 HydrophobicContact CD1-CG 4.49Å
279	T	98.8	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.			trans	-124.1	170.9	177.7	70.9	0	0	0	0	111.5	R208 L267 T269 A281 N282 A283	R208-T279 VanDerWaalsContact NH1-CG2 3.27Å; L267-T279 HydrophobicContact CB-CG2 4.12Å; T269-T279 HydrophobicContact CG2-CG2 4.23Å; T279-A281 PolarHBondContact O-N 3.49Å; T279-A281 PolarHBondContact OG1-N 3.48Å; T279-N282 PolarHBondContact N-OD1 3.44Å; T279-N282 PolarHBondContact O-N 2.76Å; T279-N282 PolarHBondContact O-OD1 3.44Å; T279-N282 PolarHBondContact OG1-N 3.17Å; T279-N282 PolarHBondContact OG1-ND2 3.43Å; T279-A283 VanDerWaalsContact O-CB 3.26Å; T279-A283 WeakPolarHBondContact O-CB 3.34Å; T279-A283 PolarHBondContact O-N 3.29Å; T279-A283 VanDerWaalsContact O-N 3.1Å
280	A	98.2	Very high	97.6	Very high	62 Å²	62	45.5 Å²	45.5	51%	0.512	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	173.1	0	0	0	0	0	113.6
281	A	98.4	Very high	97.7	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-24.5	-178.8	0	0	0	0	0	113.7	A215 V264 L267 T279 V381	A215-A281 WeakPolarHBondContact CB-O 3.27Å; V264-A281 HydrophobicContact CG1-CB 4.29Å; V264-A281 HydrophobicContact CG2-CB 4.07Å; L267-A281 HydrophobicContact CD1-CB 3.46Å; L267-A281 VanDerWaalsContact CD1-CB 3.46Å; T279-A281 PolarHBondContact O-N 3.49Å; T279-A281 PolarHBondContact OG1-N 3.48Å; A281-V381 WeakPolarHBondContact O-CG1 3.42Å
282	N	98.7	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.6	-178.1	71	27.7	0	0	0	113.2	Q211 D212 A215 T277 I278 T279 S357	Q211-N282 HydrophobicContact CB-CB 4.4Å; D212-N282 PolarHBondContact OD1-ND2 3.12Å; A215-N282 HydrophobicContact CB-CB 3.76Å; T277-N282 PolarHBondContact O-ND2 3.28Å; I278-N282 WeakPolarHBondContact CA-OD1 3.45Å; T279-N282 PolarHBondContact N-OD1 3.44Å; T279-N282 PolarHBondContact O-N 2.76Å; T279-N282 PolarHBondContact O-OD1 3.44Å; T279-N282 PolarHBondContact OG1-N 3.17Å; T279-N282 PolarHBondContact OG1-ND2 3.43Å; N282-S357 WeakPolarHBondContact O-CB 3.22Å; N282-S357 PolarHBondContact O-N 3.1Å; N282-S357 PolarHBondContact O-OG 3.16Å
283	A	98.8	Very high	97.9	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-99.6	157.7	166.6	0	0	0	0	0	110.8	F271 I278 T279 F356	F271-A283 HydrophobicContact CE2-CB 4.47Å; I278-A283 HydrophobicContact CG2-CB 4.05Å; T279-A283 VanDerWaalsContact O-CB 3.26Å; T279-A283 WeakPolarHBondContact O-CB 3.34Å; T279-A283 PolarHBondContact O-N 3.29Å; T279-A283 VanDerWaalsContact O-N 3.1Å; A283-F356 HydrophobicContact CB-CD1 3.44Å; A283-F356 VanDerWaalsContact CB-CD1 3.44Å; A283-F356 HydrophobicContact CB-CE1 3.57Å
284	S	98.6	Very high	98.2	Very high	28 Å²	28	25.6 Å²	25.6	20%	0.196	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-67.3	150.3	167.2	69.3	0	0	0	0	112	A355 A380	S284-A355 WeakPolarHBondContact CB-O 3.5Å; S284-A355 PolarHBondContact N-O 3.04Å; S284-A355 PolarHBondContact OG-O 3.28Å; S284-A355 VanDerWaalsContact OG-O 3.05Å; S284-A380 WeakPolarHBondContact CB-O 3.44Å
285	T	98.8	Very high	98.5	Very high	32 Å²	32	18.2 Å²	18.2	20%	0.196	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-89.3	172.6	175.8	53.3	0	0	0	0	112.4	E255 N287	E255-T285 HydrophobicContact CG-CG2 4.27Å; E255-T285 VanDerWaalsContact CG-OG1 3.31Å; E255-T285 WeakPolarHBondContact CG-OG1 3.44Å; E255-T285 PolarHBondContact OE2-OG1 2.72Å; T285-N287 PolarHBondContact O-OD1 2.91Å; T285-N287 PolarHBondContact OG1-OD1 3.2Å
286	L	98.9	Very high	98.7	Very high	53 Å²	53	10.7 Å²	10.7	28%	0.277	8%	0.075	S	C	.	.	P	Polyproline II helix	trans	-89	136.7	171	-48	176.1	0	0	0	108.3	F55 M156 I179 L184	F55-L286 HydrophobicContact CB-CB 4.01Å; F55-L286 VanDerWaalsContact CB-O 3.31Å; F55-L286 WeakPolarHBondContact CB-O 3.36Å; F55-L286 HydrophobicContact CD1-CD1 4.46Å; F55-L286 HydrophobicContact CD2-CB 4.01Å; F55-L286 HydrophobicContact CD2-CD1 4.43Å; F55-L286 HydrophobicContact CG-CB 4.06Å; F55-L286 HydrophobicContact CG-CD1 4.41Å; F55-L286 PolarHBondContact N-O 3.12Å; M156-L286 HydrophobicContact CE-CB 4.18Å; M156-L286 HydrophobicContact CE-CD2 3.47Å; M156-L286 VanDerWaalsContact CE-CD2 3.47Å; M156-L286 HydrophobicContact CE-CG 4.34Å; M156-L286 HydrophobicContact SD-CB 4.08Å; M156-L286 HydrophobicContact SD-CD2 4.28Å; I179-L286 HydrophobicContact CG2-CD1 4.23Å; I179-L286 HydrophobicContact CG2-CD2 4.14Å; L184-L286 HydrophobicContact CD1-CD2 3.75Å
287	N	98.9	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	167.1	-167.3	-64.8	95.1	0	0	0	113.5	I52 G53 S54 M156 E255 T285 G384 H385 P386	I52-N287 HydrophobicContact CG2-CB 3.55Å; G53-N287 VanDerWaalsContact O-CA 3.29Å; G53-N287 WeakPolarHBondContact O-CA 3.49Å; G53-N287 VanDerWaalsContact O-CB 3.23Å; G53-N287 WeakPolarHBondContact O-CB 3.26Å; G53-N287 PolarHBondContact O-ND2 2.87Å; S54-N287 WeakPolarHBondContact CA-ND2 3.23Å; M156-N287 WeakPolarHBondContact CB-O 3.35Å; M156-N287 VanDerWaalsContact CG-O 3.22Å; M156-N287 WeakPolarHBondContact CG-O 3.39Å; E255-N287 PolarHBondContact OE2-ND2 3.26Å; T285-N287 PolarHBondContact O-OD1 2.91Å; T285-N287 PolarHBondContact OG1-OD1 3.2Å; N287-G384 VanDerWaalsContact CG-CA 3.41Å; N287-G384 VanDerWaalsContact OD1-C 3.31Å; N287-G384 WeakPolarHBondContact OD1-CA 3.5Å; N287-H385 PolarHBondContact OD1-N 2.93Å; N287-P386 HydrophobicContact CB-CB 4.44Å; N287-P386 HydrophobicContact CB-CG 3.72Å; N287-P386 WeakPolarHBondContact O-CB 3.48Å
288	D	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.6	176.2	-50.8	-42.3	0	0	0	110.2	I52 G53 L59 L67 E154 S155 M156 S157	I52-D288 WeakPolarHBondContact CA-O 3.29Å; G53-D288 PolarHBondContact N-O 3.35Å; G53-D288 PolarHBondContact O-N 2.88Å; L59-D288 HydrophobicContact CB-CB 4.2Å; L67-D288 HydrophobicContact CD1-CB 4.05Å; E154-D288 WeakPolarHBondContact O-CA 3.04Å; S155-D288 VanDerWaalsContact CA-OD1 3.27Å; S155-D288 WeakPolarHBondContact CA-OD1 3.49Å; M156-D288 PolarHBondContact N-OD1 3.19Å; S157-D288 WeakPolarHBondContact CB-OD1 3.35Å; S157-D288 WeakPolarHBondContact CB-OD2 3.15Å; S157-D288 PolarHBondContact N-OD1 3.3Å; S157-D288 VanDerWaalsContact OG-CG 3.23Å; S157-D288 PolarHBondContact OG-OD1 3.25Å; S157-D288 PolarHBondContact OG-OD2 2.99Å
289	G	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	166	175.9	0	0	0	0	0	114.2	T50 M153 E154	T50-G289 WeakPolarHBondContact OG1-CA 3.32Å; M153-G289 WeakPolarHBondContact CA-O 3.4Å; E154-G289 PolarHBondContact N-O 3.11Å; E154-G289 PolarHBondContact O-N 2.79Å
290	A	99	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.2	174.1	0	0	0	0	0	112.2	R49 T50 L67 A71 G152 M153	R49-A290 CarbonylContact C-O 3.51Å; R49-A290 WeakPolarHBondContact CA-O 3.37Å; R49-A290 VanDerWaalsContact CB-O 3.25Å; R49-A290 WeakPolarHBondContact CB-O 3.17Å; T50-A290 HydrophobicContact CG2-CB 4.45Å; T50-A290 PolarHBondContact N-O 3.37Å; T50-A290 PolarHBondContact OG1-N 3Å; T50-A290 PolarHBondContact OG1-O 3.3Å; L67-A290 HydrophobicContact CB-CB 3.86Å; L67-A290 WeakPolarHBondContact O-CB 3.42Å; A71-A290 HydrophobicContact CB-CB 3.88Å; G152-A290 CarbonylContact O-C 3.6Å; G152-A290 VanDerWaalsContact O-CA 3.27Å; G152-A290 WeakPolarHBondContact O-CA 3.34Å; M153-A290 HydrophobicContact CB-CB 3.69Å
291	A	99	Very high	98.8	Very high	3 Å²	3	11.2 Å²	11.2	3%	0.025	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.4	172.2	0	0	0	0	0	109.9	T48 R49 G151 G152 M389 A392 R393	T48-A291 CarbonylContact O-C 3.44Å; T48-A291 WeakPolarHBondContact O-CA 2.96Å; R49-A291 HydrophobicContact CB-CB 3.78Å; G151-A291 CarbonylContact C-O 3.5Å; G151-A291 WeakPolarHBondContact CA-O 3.47Å; G152-A291 PolarHBondContact N-O 2.81Å; G152-A291 PolarHBondContact O-N 3.4Å; A291-M389 HydrophobicContact CB-CE 4.14Å; A291-M389 HydrophobicContact CB-CG 4.01Å; A291-A392 HydrophobicContact CB-CB 4.08Å; A291-R393 HydrophobicContact CB-CB 4.49Å
292	A	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.3	177.7	0	0	0	0	0	111	T48 A71 I72 A75 V149	T48-A292 PolarHBondContact N-O 2.84Å; T48-A292 PolarHBondContact O-N 2.87Å; T48-A292 VanDerWaalsContact O-O 3.14Å; A71-A292 HydrophobicContact CB-CB 4.1Å; I72-A292 HydrophobicContact CG1-CB 3.96Å; A75-A292 HydrophobicContact CB-CB 4.05Å; A75-A292 WeakPolarHBondContact CB-O 3.38Å; V149-A292 HydrophobicContact CG1-CB 4.23Å
293	L	98.9	Very high	98.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.4	177.6	-63.8	81.3	0	0	0	109.2	I44 S46 A47 I133 V149 A150 L295 A392 V395	I44-L293 HydrophobicContact CD1-CD2 4.07Å; I44-L293 HydrophobicContact CG1-CD2 4.46Å; I44-L293 HydrophobicContact CG2-CD2 3.98Å; S46-L293 VanDerWaalsContact O-CA 3.26Å; S46-L293 WeakPolarHBondContact O-CA 3.27Å; A47-L293 HydrophobicContact CB-CD2 4.07Å; A47-L293 HydrophobicContact CB-CG 3.77Å; I133-L293 HydrophobicContact CD1-CD1 3.72Å; I133-L293 HydrophobicContact CD1-CD2 4.11Å; I133-L293 HydrophobicContact CG1-CD1 4.32Å; V149-L293 WeakPolarHBondContact CA-O 3.11Å; A150-L293 PolarHBondContact N-O 3.14Å; A150-L293 PolarHBondContact O-N 3.02Å; L293-L295 HydrophobicContact CB-CD2 3.99Å; L293-A392 HydrophobicContact CD1-CB 4.15Å; L293-V395 HydrophobicContact CD2-CG1 3.99Å
294	V	98.9	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116	166.7	178	0	0	0	0	108.1	V45 S46 A75 I76 A79 I81 V147 V149 M296	V45-V294 PolarHBondContact N-O 3.38Å; S46-V294 PolarHBondContact O-N 3.05Å; S46-V294 WeakPolarHBondContact OG-CB 3.44Å; S46-V294 WeakPolarHBondContact OG-CG2 3.46Å; A75-V294 HydrophobicContact CB-CG2 4.14Å; I76-V294 HydrophobicContact CG1-CG2 4.08Å; A79-V294 HydrophobicContact CB-CB 4.04Å; A79-V294 HydrophobicContact CB-CG1 4.14Å; A79-V294 HydrophobicContact CB-CG2 3.92Å; I81-V294 HydrophobicContact CD1-CG1 3.74Å; V147-V294 HydrophobicContact CG1-CG1 4.33Å; V149-V294 HydrophobicContact CG2-CG2 4.24Å; V294-M296 HydrophobicContact CG1-CE 3.7Å
295	L	98.9	Very high	98.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.9	178.7	-51	-177.5	0	0	0	109.2	V43 I44 I133 A136 L140 V147 M148 A150 L293 I312	V43-L295 WeakPolarHBondContact O-CA 3.34Å; I44-L295 HydrophobicContact CB-CD2 4.37Å; I44-L295 HydrophobicContact CG1-CD2 3.74Å; I44-L295 HydrophobicContact CG2-CD2 4.48Å; I133-L295 HydrophobicContact CG2-CD1 3.9Å; I133-L295 HydrophobicContact CG2-CD2 4.46Å; A136-L295 HydrophobicContact CB-CD1 3.91Å; L140-L295 HydrophobicContact CD1-CB 3.58Å; V147-L295 WeakPolarHBondContact CA-O 2.92Å; M148-L295 PolarHBondContact N-O 2.63Å; M148-L295 PolarHBondContact O-N 3.01Å; A150-L295 HydrophobicContact CB-CD1 3.76Å; A150-L295 HydrophobicContact CB-CG 4.41Å; L293-L295 HydrophobicContact CB-CD2 3.99Å; L295-I312 HydrophobicContact CD1-CD1 4.49Å; L295-I312 HydrophobicContact CD2-CD1 4.08Å
296	M	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.9	173.2	63.1	-174.8	71.6	0	0	111.9	V43 V45 I81 D146 V147 V294 A300 A301 L304 V306	V43-M296 HydrophobicContact CG2-CG 3.86Å; V43-M296 WeakPolarHBondContact CG2-O 3.46Å; V43-M296 PolarHBondContact N-O 3.04Å; V43-M296 PolarHBondContact O-N 2.96Å; V45-M296 HydrophobicContact CB-CE 3.91Å; V45-M296 HydrophobicContact CG1-CE 4.24Å; V45-M296 HydrophobicContact CG2-CE 3.52Å; V45-M296 HydrophobicContact CG2-CG 3.68Å; V45-M296 HydrophobicContact CG2-SD 3.6Å; V45-M296 VanDerWaalsContact CG2-SD 3.6Å; I81-M296 HydrophobicContact CD1-CE 4.22Å; I81-M296 HydrophobicContact CG2-CE 4.42Å; D146-M296 CarbonylContact O-C 3.52Å; D146-M296 VanDerWaalsContact O-CA 3.23Å; D146-M296 WeakPolarHBondContact O-CA 3.16Å; D146-M296 WeakPolarHBondContact O-CB 3.19Å; V147-M296 HydrophobicContact CB-CB 4.3Å; V147-M296 HydrophobicContact CG1-CB 4.43Å; V147-M296 HydrophobicContact CG1-CE 4.24Å; V147-M296 HydrophobicContact CG2-CB 3.9Å; V147-M296 HydrophobicContact CG2-CE 4.46Å; V294-M296 HydrophobicContact CG1-CE 3.7Å; M296-A300 HydrophobicContact CB-CB 4.08Å; M296-A300 HydrophobicContact CG-CB 4.47Å; M296-A300 HydrophobicContact SD-CB 4.39Å; M296-A301 HydrophobicContact CG-CB 4.11Å; M296-A301 WeakPolarHBondContact SD-CA 3.48Å; M296-A301 HydrophobicContact SD-CB 3.75Å; M296-A301 PolarHBondContact SD-N 2.81Å; M296-L304 HydrophobicContact CE-CD1 4.44Å; M296-L304 HydrophobicContact SD-CD1 4.38Å; M296-V306 HydrophobicContact CE-CG2 4.2Å; M296-V306 HydrophobicContact SD-CG2 3.79Å
297	T	98.9	Very high	98.8	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.1	168.7	64.4	0	0	0	0	110.4	K40 E41 L140 D146 S299 A300 A301	K40-T297 HydrophobicContact CB-CG2 3.94Å; K40-T297 HydrophobicContact CG-CG2 4.29Å; E41-T297 CarbonylContact O-C 3.57Å; E41-T297 VanDerWaalsContact O-CA 3.3Å; E41-T297 WeakPolarHBondContact O-CA 3.36Å; L140-T297 HydrophobicContact CB-CG2 4.26Å; L140-T297 HydrophobicContact CD2-CG2 4.38Å; D146-T297 PolarHBondContact O-N 3.16Å; T297-S299 PolarHBondContact O-N 2.86Å; T297-S299 VanDerWaalsContact O-N 3.13Å; T297-S299 PolarHBondContact OG1-OG 2.9Å; T297-A300 WeakPolarHBondContact O-CB 3.4Å; T297-A300 PolarHBondContact O-N 2.96Å; T297-A300 WeakPolarHBondContact OG1-CB 3.23Å; T297-A300 PolarHBondContact OG1-N 3.18Å; T297-A301 PolarHBondContact O-N 2.66Å
298	A	98.6	Very high	98.8	Very high	25 Å²	25	37 Å²	37	21%	0.207	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-31	174.8	0	0	0	0	0	112.8	E41 V43 K302	E41-A298 HydrophobicContact CB-CB 4.14Å; E41-A298 HydrophobicContact CG-CB 4.4Å; E41-A298 PolarHBondContact O-N 3.32Å; V43-A298 HydrophobicContact CG1-CB 4.47Å; A298-K302 WeakPolarHBondContact O-CG 3.31Å; A298-K302 PolarHBondContact O-N 3.02Å
299	S	98.5	Very high	98.7	Very high	68 Å²	68	39.2 Å²	39.2	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-67.3	-38.5	172.9	39.8	0	0	0	0	113.5	T297 K302 R303	T297-S299 PolarHBondContact O-N 2.86Å; T297-S299 VanDerWaalsContact O-N 3.13Å; T297-S299 PolarHBondContact OG1-OG 2.9Å; S299-K302 PolarHBondContact O-N 3.02Å; S299-R303 WeakPolarHBondContact O-CB 3.26Å; S299-R303 PolarHBondContact O-N 2.96Å
300	A	98.8	Very high	98.7	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-69.6	-38.9	176.5	0	0	0	0	0	111.4	D146 V147 M296 T297 K302 R303 L304	D146-A300 HydrophobicContact CB-CB 4.11Å; D146-A300 WeakPolarHBondContact O-CB 3.34Å; V147-A300 HydrophobicContact CG2-CB 3.99Å; M296-A300 HydrophobicContact CB-CB 4.08Å; M296-A300 HydrophobicContact CG-CB 4.47Å; M296-A300 HydrophobicContact SD-CB 4.39Å; T297-A300 WeakPolarHBondContact O-CB 3.4Å; T297-A300 PolarHBondContact O-N 2.96Å; T297-A300 WeakPolarHBondContact OG1-CB 3.23Å; T297-A300 PolarHBondContact OG1-N 3.18Å; A300-K302 VanDerWaalsContact C-N 3.3Å; A300-K302 PolarHBondContact O-N 2.96Å; A300-R303 WeakPolarHBondContact O-CB 3.44Å; A300-R303 PolarHBondContact O-N 2.94Å; A300-R303 VanDerWaalsContact O-N 3.15Å; A300-L304 WeakPolarHBondContact O-CB 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.5Å; A300-L304 PolarHBondContact O-N 3.27Å
301	A	98.7	Very high	98.7	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-43.4	174	0	0	0	0	0	111.9	V43 M296 T297 L304 N305 V306	V43-A301 HydrophobicContact CG2-CB 4.12Å; M296-A301 HydrophobicContact CG-CB 4.11Å; M296-A301 WeakPolarHBondContact SD-CA 3.48Å; M296-A301 HydrophobicContact SD-CB 3.75Å; M296-A301 PolarHBondContact SD-N 2.81Å; T297-A301 PolarHBondContact O-N 2.66Å; A301-L304 PolarHBondContact O-N 2.9Å; A301-N305 PolarHBondContact O-N 2.63Å; A301-V306 HydrophobicContact CB-CG2 4.04Å; A301-V306 PolarHBondContact O-N 3.09Å
302	K	98.5	Very high	98.7	Very high	178 Å²	178	42.6 Å²	42.6	77%	0.774	22%	0.221	S	C	*	.	H	α-helix	trans	-63.5	-45.7	173.1	-71.4	174.7	178.9	178.9	0	112.5	A298 S299 A300 L304 N305	A298-K302 WeakPolarHBondContact O-CG 3.31Å; A298-K302 PolarHBondContact O-N 3.02Å; S299-K302 PolarHBondContact O-N 3.02Å; A300-K302 VanDerWaalsContact C-N 3.3Å; A300-K302 PolarHBondContact O-N 2.96Å; K302-L304 VanDerWaalsContact C-N 3.28Å; K302-L304 PolarHBondContact O-N 3.25Å; K302-N305 PolarHBondContact O-N 3.09Å
303	R	98.7	Very high	98.7	Very high	124 Å²	124	44.4 Å²	44.4	47%	0.468	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-40	178.2	178.7	179.4	64.3	76.4	-7.1	112	E85 D146 S299 A300 N305	E85-R303 IonicContact OE1-CZ 3.78Å; E85-R303 IonicContact OE1-NH1 2.84Å; E85-R303 PolarHBondContact OE1-NH1 3.38Å; E85-R303 IonicContact OE1-NH2 2.72Å; E85-R303 IonicContact OE2-CZ 3.58Å; E85-R303 IonicContact OE2-NH1 3.39Å; E85-R303 PolarHBondContact OE2-NH1 3.34Å; E85-R303 IonicContact OE2-NH2 3.63Å; E85-R303 PolarHBondContact OE2-NH2 3.42Å; D146-R303 IonicContact OD2-CZ 3.59Å; D146-R303 IonicContact OD2-NE 3.66Å; D146-R303 IonicContact OD2-NH2 2.77Å; D146-R303 PolarHBondContact OD2-NH2 3.02Å; S299-R303 WeakPolarHBondContact O-CB 3.26Å; S299-R303 PolarHBondContact O-N 2.96Å; A300-R303 WeakPolarHBondContact O-CB 3.44Å; A300-R303 PolarHBondContact O-N 2.94Å; A300-R303 VanDerWaalsContact O-N 3.15Å; R303-N305 VanDerWaalsContact C-N 3.34Å
304	L	98.6	Very high	98.7	Very high	35 Å²	35	44.7 Å²	44.7	18%	0.183	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.4	-178.8	-67.4	173.1	0	0	0	113.6	I81 E85 V147 M296 A300 A301 K302 V306	I81-L304 HydrophobicContact CG2-CD1 4.1Å; E85-L304 HydrophobicContact CB-CD1 4.28Å; E85-L304 HydrophobicContact CG-CD1 4.19Å; E85-L304 HydrophobicContact CG-CD2 3.73Å; E85-L304 WeakPolarHBondContact OE1-CD2 3.44Å; V147-L304 HydrophobicContact CG2-CD1 4Å; M296-L304 HydrophobicContact CE-CD1 4.44Å; M296-L304 HydrophobicContact SD-CD1 4.38Å; A300-L304 WeakPolarHBondContact O-CB 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.5Å; A300-L304 PolarHBondContact O-N 3.27Å; A301-L304 PolarHBondContact O-N 2.9Å; K302-L304 VanDerWaalsContact C-N 3.28Å; K302-L304 PolarHBondContact O-N 3.25Å; L304-V306 VanDerWaalsContact C-N 3.26Å; L304-V306 HydrophobicContact CB-CG1 4.36Å; L304-V306 HydrophobicContact CB-CG2 4.23Å; L304-V306 PolarHBondContact O-N 3.49Å
305	N	98.5	Very high	98.7	Very high	152 Å²	152	46.5 Å²	46.5	81%	0.813	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	41	-178	-165.5	45.4	0	0	0	113.3	A301 K302 R303	A301-N305 PolarHBondContact O-N 2.63Å; K302-N305 PolarHBondContact O-N 3.09Å; R303-N305 VanDerWaalsContact C-N 3.34Å
306	V	98.6	Very high	98.7	Very high	22 Å²	22	47.2 Å²	47.2	13%	0.133	25%	0.248	C	C	.	.			trans	-107.1	145.7	176.8	-65.4	0	0	0	0	111.2	V45 I81 M296 A301 L304 P308	V45-V306 HydrophobicContact CG1-CB 4Å; V45-V306 HydrophobicContact CG1-CG2 3.89Å; V45-V306 HydrophobicContact CG2-CG2 4.18Å; I81-V306 HydrophobicContact CG2-CG1 3.7Å; M296-V306 HydrophobicContact CE-CG2 4.2Å; M296-V306 HydrophobicContact SD-CG2 3.79Å; A301-V306 HydrophobicContact CB-CG2 4.04Å; A301-V306 PolarHBondContact O-N 3.09Å; L304-V306 VanDerWaalsContact C-N 3.26Å; L304-V306 HydrophobicContact CB-CG1 4.36Å; L304-V306 HydrophobicContact CB-CG2 4.23Å; L304-V306 PolarHBondContact O-N 3.49Å; V306-P308 WeakPolarHBondContact O-CD 3.23Å
307	T	98.3	Very high	98.7	Very high	121 Å²	121	49.5 Å²	49.5	74%	0.742	26%	0.261	S	S	*	.			trans	-88.9	116.4	178.8	-57.6	0	0	0	0	109.5
308	P	98.6	Very high	98.7	Very high	36 Å²	36	49.9 Å²	49.9	23%	0.234	27%	0.265	C	S	.	.			trans	-69.8	144.8	177.3	30.9	-35.8	0	0	0	111.3	V43 V45 V306 L427	V43-P308 HydrophobicContact CB-CB 3.69Å; V43-P308 HydrophobicContact CG1-CB 4.03Å; V43-P308 HydrophobicContact CG2-CB 3.86Å; V45-P308 HydrophobicContact CG2-CB 4.5Å; V306-P308 WeakPolarHBondContact O-CD 3.23Å; P308-L427 HydrophobicContact CB-CD1 3.76Å; P308-L427 HydrophobicContact CG-CD1 3.71Å
309	L	98.8	Very high	98.7	Very high	47 Å²	47	52.6 Å²	52.6	25%	0.246	29%	0.287	C	S	.	.			trans	-90.1	-36.1	-178.6	-63.7	-179.4	0	0	0	112.9	I44 V45 T399 K426 L427	I44-L309 WeakPolarHBondContact O-CB 3.24Å; I44-L309 PolarHBondContact O-N 2.9Å; V45-L309 VanDerWaalsContact O-CD1 3.29Å; V45-L309 WeakPolarHBondContact O-CD1 3.44Å; V45-L309 WeakPolarHBondContact O-CG 3.29Å; L309-T399 HydrophobicContact CB-CG2 3.67Å; L309-T399 HydrophobicContact CD1-CG2 3.95Å; L309-T399 HydrophobicContact CG-CG2 4.49Å; L309-K426 VanDerWaalsContact O-CD 3.24Å; L309-K426 WeakPolarHBondContact O-CD 3.23Å; L309-K426 WeakPolarHBondContact O-CE 3.36Å; L309-K426 PolarHBondContact O-NZ 2.85Å; L309-L427 PolarHBondContact O-N 3.46Å; L309-L427 VanDerWaalsContact O-N 3.11Å
310	A	98.9	Very high	98.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.3	-178.4	0	0	0	0	0	110.6	V43 I44 T399 I424 Q425	V43-A310 CarbonylContact C-O 3.57Å; V43-A310 VanDerWaalsContact CA-O 3.31Å; V43-A310 WeakPolarHBondContact CA-O 3.43Å; I44-A310 HydrophobicContact CB-CB 4.5Å; I44-A310 HydrophobicContact CD1-CB 4.42Å; I44-A310 PolarHBondContact N-O 3.2Å; I44-A310 PolarHBondContact O-N 2.86Å; A310-T399 HydrophobicContact CB-CG2 4.2Å; A310-I424 HydrophobicContact CB-CD1 4.14Å; A310-Q425 CarbonylContact C-O 3.5Å; A310-Q425 VanDerWaalsContact CA-O 3.24Å; A310-Q425 WeakPolarHBondContact CA-O 3.27Å; A310-Q425 WeakPolarHBondContact CB-O 3.43Å
311	R	98.9	Very high	98.7	Very high	69 Å²	69	57.7 Å²	57.7	26%	0.26	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.5	171.6	179.1	175	64.9	162.5	0.6	110.1	E41 V313 I424 Q425 L427	E41-R311 HydrophobicContact CG-CG 3.99Å; E41-R311 WeakPolarHBondContact OE2-CD 3.35Å; E41-R311 IonicContact OE2-NH1 3.15Å; E41-R311 PolarHBondContact OE2-NH1 2.88Å; E41-R311 VanDerWaalsContact OE2-NH1 3.15Å; R311-V313 PolarHBondContact O-N 3.2Å; R311-I424 CarbonylContact O-C 3.59Å; R311-I424 VanDerWaalsContact O-CA 3.23Å; R311-I424 WeakPolarHBondContact O-CA 3.16Å; R311-I424 WeakPolarHBondContact O-CB 3.39Å; R311-Q425 PolarHBondContact N-O 2.81Å; R311-Q425 PolarHBondContact O-N 3.4Å; R311-L427 HydrophobicContact CB-CD1 4.27Å; R311-L427 HydrophobicContact CB-CD2 4.29Å; R311-L427 HydrophobicContact CB-CG 4.36Å
312	I	98.9	Very high	98.7	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.9	169.3	-60.3	179.7	0	0	0	107.7	V42 I44 I133 S137 L295 F315 M422 I424	V42-I312 HydrophobicContact CB-CB 4.49Å; V42-I312 HydrophobicContact CG1-CD1 4.02Å; V42-I312 HydrophobicContact CG1-CG1 4.49Å; V42-I312 PolarHBondContact O-N 3.49Å; I44-I312 HydrophobicContact CD1-CD1 4.29Å; I44-I312 HydrophobicContact CD1-CG1 3.99Å; I44-I312 HydrophobicContact CG1-CD1 4.02Å; I44-I312 HydrophobicContact CG1-CG1 3.89Å; I133-I312 HydrophobicContact CG2-CD1 3.87Å; S137-I312 VanDerWaalsContact OG-CD1 3.26Å; S137-I312 WeakPolarHBondContact OG-CD1 3.39Å; L295-I312 HydrophobicContact CD1-CD1 4.49Å; L295-I312 HydrophobicContact CD2-CD1 4.08Å; I312-F315 HydrophobicContact CG2-CD1 3.87Å; I312-F315 HydrophobicContact CG2-CE1 4.17Å; I312-M422 HydrophobicContact CD1-SD 4.41Å; I312-M422 HydrophobicContact CG2-CG 4.41Å; I312-M422 HydrophobicContact CG2-SD 4.31Å; I312-I424 HydrophobicContact CG1-CG2 4.28Å
313	V	98.8	Very high	98.7	Very high	38 Å²	38	51.6 Å²	51.6	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-50.3	-171	-177.9	0	0	0	0	111	R311 V340 Y407 L423 Q425	R311-V313 PolarHBondContact O-N 3.2Å; V313-V340 HydrophobicContact CG1-CG1 3.84Å; V313-V340 HydrophobicContact CG1-CG2 4.07Å; V313-Y407 HydrophobicContact CG2-CE1 4.17Å; V313-L423 HydrophobicContact CB-CB 4.5Å; V313-L423 HydrophobicContact CB-CD2 3.92Å; V313-L423 HydrophobicContact CB-CG 4.05Å; V313-L423 HydrophobicContact CG1-CD2 3.81Å; V313-L423 HydrophobicContact CG1-CG 4.48Å; V313-L423 PolarHBondContact N-O 3.45Å; V313-Q425 HydrophobicContact CG2-CB 3.88Å
314	A	98.9	Very high	98.7	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	160.5	179.7	0	0	0	0	0	110.9	V336 V340 L423	A314-V336 HydrophobicContact CB-CG1 4.08Å; A314-V340 HydrophobicContact CB-CG2 3.31Å; A314-L423 PolarHBondContact N-O 3.28Å; A314-L423 PolarHBondContact O-N 3.34Å
315	F	98.9	Very high	98.7	Very high	38 Å²	38	45.4 Å²	45.4	17%	0.167	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.6	174.1	48.4	-102.1	0	0	0	110.1	M134 Q138 M141 I312 A421 M422	M134-F315 HydrophobicContact CB-CD2 3.92Å; M134-F315 HydrophobicContact CB-CE2 4.15Å; M134-F315 HydrophobicContact CB-CG 4.19Å; M134-F315 HydrophobicContact CE-CB 3.98Å; M134-F315 HydrophobicContact CE-CD2 3.63Å; M134-F315 HydrophobicContact CE-CG 4.15Å; M134-F315 HydrophobicContact CG-CB 3.87Å; M134-F315 HydrophobicContact CG-CD1 4.41Å; M134-F315 HydrophobicContact CG-CD2 3.88Å; M134-F315 HydrophobicContact CG-CG 3.79Å; M134-F315 HydrophobicContact SD-CB 4.44Å; Q138-F315 HydrophobicContact CG-CE2 3.96Å; Q138-F315 HydrophobicContact CG-CZ 3.74Å; M141-F315 HydrophobicContact CE-CE1 3.72Å; M141-F315 HydrophobicContact CE-CZ 4.1Å; M141-F315 HydrophobicContact SD-CE1 4.37Å; M141-F315 HydrophobicContact SD-CZ 4.16Å; I312-F315 HydrophobicContact CG2-CD1 3.87Å; I312-F315 HydrophobicContact CG2-CE1 4.17Å; F315-A421 CarbonylContact C-O 3.58Å; F315-A421 WeakPolarHBondContact CA-O 3.4Å; F315-A421 VanDerWaalsContact CB-O 3.28Å; F315-A421 WeakPolarHBondContact CB-O 3.49Å; F315-M422 HydrophobicContact CB-CB 4.27Å; F315-M422 HydrophobicContact CB-CE 4.16Å; F315-M422 HydrophobicContact CB-CG 4.28Å; F315-M422 HydrophobicContact CD1-CE 4.26Å; F315-M422 HydrophobicContact CG-CE 4.43Å
316	A	98.9	Very high	98.7	Very high	14 Å²	14	38.1 Å²	38.1	12%	0.116	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.6	178.7	0	0	0	0	0	111.3	M335 V336 S420 A421	A316-M335 HydrophobicContact CB-CB 3.86Å; A316-M335 HydrophobicContact CB-CE 4.22Å; A316-V336 HydrophobicContact CB-CG2 3.66Å; A316-S420 CarbonylContact O-C 3.49Å; A316-S420 WeakPolarHBondContact O-CA 3.26Å; A316-A421 PolarHBondContact N-O 3.35Å; A316-A421 PolarHBondContact O-N 3.4Å
317	D	98.9	Very high	98.8	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.7	165.1	-66.5	-65.7	0	0	0	108.9	K124 K131 M134 A419 S420	K124-D317 WeakPolarHBondContact CE-OD1 3.2Å; K124-D317 IonicContact NZ-OD1 2.85Å; K124-D317 PolarHBondContact NZ-OD1 3.08Å; K131-D317 IonicContact NZ-OD2 3.24Å; K131-D317 PolarHBondContact NZ-OD2 2.79Å; M134-D317 WeakPolarHBondContact CE-OD2 3.46Å; D317-A419 WeakPolarHBondContact CA-O 3.21Å; D317-S420 WeakPolarHBondContact OD1-CB 3.27Å; D317-S420 PolarHBondContact OD1-OG 3.22Å
318	A	98.8	Very high	98.8	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	158.1	169.7	0	0	0	0	0	109.7	H331 A332 M335 G418 A419	A318-H331 HydrophobicContact CB-CB 3.75Å; A318-A332 HydrophobicContact CB-CB 3.88Å; A318-M335 HydrophobicContact CB-SD 4Å; A318-G418 CarbonylContact O-C 3.24Å; A318-G418 WeakPolarHBondContact O-CA 3.41Å; A318-A419 PolarHBondContact N-O 3.1Å; A318-A419 VanDerWaalsContact N-O 3.1Å; A318-A419 PolarHBondContact O-N 2.94Å
319	A	98.7	Very high	98.8	Very high	81 Å²	81	31.1 Å²	31.1	67%	0.669	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.4	173.7	0	0	0	0	0	110.6	G417	A319-G417 CarbonylContact C-O 3.6Å; A319-G417 WeakPolarHBondContact CA-O 3.37Å
320	V	98.7	Very high	98.8	Very high	42 Å²	42	29.4 Å²	29.4	26%	0.255	17%	0.165	S	C	.	.			trans	-133.5	-171.3	174.5	-62.4	0	0	0	0	108.5	D324 I327 A328 G417	V320-D324 HydrophobicContact CG2-CB 4.07Å; V320-D324 VanDerWaalsContact CG2-O 3.29Å; V320-D324 WeakPolarHBondContact CG2-O 3.46Å; V320-I327 HydrophobicContact CG2-CG1 4.41Å; V320-A328 HydrophobicContact CG2-CB 3.98Å; V320-G417 PolarHBondContact N-O 2.91Å
321	E	98.6	Very high	98.8	Very high	135 Å²	135	33.2 Å²	33.2	63%	0.631	18%	0.183	S	C	*	.			trans	-52.4	140.1	173.7	-71.1	-62	154.4	0	0	111.8	I323 D324	E321-I323 VanDerWaalsContact C-N 3.28Å; E321-I323 PolarHBondContact O-N 2.92Å; E321-I323 VanDerWaalsContact O-N 3.15Å; E321-D324 HydrophobicContact CB-CB 4.32Å; E321-D324 CarbonylContact O-C 3.56Å; E321-D324 WeakPolarHBondContact O-CA 3.46Å; E321-D324 PolarHBondContact O-N 3.45Å
322	P	98.6	Very high	98.8	Very high	20 Å²	20	29.9 Å²	29.9	13%	0.13	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-52.9	-40.6	-175.3	-30.1	35.5	0	0	0	115	D186 Y188 D324 F325	D186-P322 WeakPolarHBondContact OD1-CB 3.3Å; Y188-P322 HydrophobicContact CD2-CB 3.52Å; Y188-P322 HydrophobicContact CD2-CG 3.35Å; Y188-P322 HydrophobicContact CE2-CB 3.99Å; Y188-P322 HydrophobicContact CE2-CG 3.58Å; Y188-P322 HydrophobicContact CG-CB 4.41Å; Y188-P322 HydrophobicContact CG-CG 4.04Å; P322-D324 PolarHBondContact O-N 3.37Å; P322-F325 PolarHBondContact O-N 2.98Å
323	I	98.7	Very high	98.8	Very high	34 Å²	34	29.6 Å²	29.6	17%	0.174	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-69.1	-20.5	178.4	-162	171.2	0	0	0	113.3	I191 C196 N199 E321	I191-I323 HydrophobicContact CD1-CD1 4.26Å; C196-I323 HydrophobicContact CB-CG1 4.01Å; N199-I323 HydrophobicContact CB-CD1 3.99Å; N199-I323 HydrophobicContact CB-CG1 4.16Å; E321-I323 VanDerWaalsContact C-N 3.28Å; E321-I323 PolarHBondContact O-N 2.92Å; E321-I323 VanDerWaalsContact O-N 3.15Å
324	D	98.8	Very high	98.8	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.118	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-101.8	19.4	-176.3	-67.8	-31.8	0	0	0	111.8	N199 K203 V320 E321 P322 P326 I327	N199-D324 PolarHBondContact ND2-OD1 3.24Å; K203-D324 IonicContact NZ-OD1 2.85Å; K203-D324 PolarHBondContact NZ-OD1 2.89Å; K203-D324 IonicContact NZ-OD2 3.77Å; K203-D324 PolarHBondContact NZ-OD2 3.37Å; V320-D324 HydrophobicContact CG2-CB 4.07Å; V320-D324 VanDerWaalsContact CG2-O 3.29Å; V320-D324 WeakPolarHBondContact CG2-O 3.46Å; E321-D324 HydrophobicContact CB-CB 4.32Å; E321-D324 CarbonylContact O-C 3.56Å; E321-D324 WeakPolarHBondContact O-CA 3.46Å; E321-D324 PolarHBondContact O-N 3.45Å; P322-D324 PolarHBondContact O-N 3.37Å; D324-P326 WeakPolarHBondContact O-CD 3.21Å; D324-I327 HydrophobicContact CB-CD1 4.31Å; D324-I327 HydrophobicContact CB-CG1 4.13Å; D324-I327 WeakPolarHBondContact O-CG1 3.43Å; D324-I327 PolarHBondContact O-N 3.3Å; D324-I327 VanDerWaalsContact O-N 3.08Å
325	F	98.8	Very high	98.8	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.026	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-49.1	-31.2	172.5	83.2	-103.1	0	0	0	115	M193 C196 P322 I327 A328 P329 F356 V359 C413	M193-F325 HydrophobicContact CB-CE1 4.13Å; M193-F325 HydrophobicContact CB-CZ 4.17Å; M193-F325 HydrophobicContact CG-CE1 4.46Å; M193-F325 HydrophobicContact SD-CD1 4.07Å; M193-F325 HydrophobicContact SD-CE1 3.65Å; M193-F325 HydrophobicContact SD-CZ 4.3Å; C196-F325 HydrophobicContact CB-CD1 4.07Å; C196-F325 HydrophobicContact CB-CE1 3.62Å; P322-F325 PolarHBondContact O-N 2.98Å; F325-I327 PolarHBondContact O-N 3.23Å; F325-I327 VanDerWaalsContact O-N 3.17Å; F325-A328 WeakPolarHBondContact O-CB 3.48Å; F325-A328 PolarHBondContact O-N 3.43Å; F325-A328 VanDerWaalsContact O-N 3.16Å; F325-P329 WeakPolarHBondContact O-CD 3.39Å; F325-F356 HydrophobicContact CZ-CD2 4.43Å; F325-F356 HydrophobicContact CZ-CE2 4.07Å; F325-V359 HydrophobicContact CE2-CG2 4.38Å; F325-C413 HydrophobicContact CD2-CB 3.75Å; F325-C413 HydrophobicContact CE2-CB 4.45Å; F325-C413 WeakPolarHBondContact O-CB 3.38Å
326	P	98.8	Very high	98.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.6	178.9	-30.4	40.1	0	0	0	114.3	T200 D324 P329 L358 V359 N363	T200-P326 HydrophobicContact CG2-CB 4.01Å; D324-P326 WeakPolarHBondContact O-CD 3.21Å; P326-P329 WeakPolarHBondContact O-CD 3.37Å; P326-L358 HydrophobicContact CB-CD1 3.93Å; P326-L358 HydrophobicContact CG-CD1 4.3Å; P326-V359 HydrophobicContact CB-CG2 3.99Å; P326-V359 HydrophobicContact CG-CG2 4.42Å; P326-N363 PolarHBondContact O-ND2 3.16Å
327	I	98.8	Very high	98.8	Very high	31 Å²	31	32.9 Å²	32.9	16%	0.159	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-97.8	-9.4	-179.7	65.1	161.9	0	0	0	113.3	T200 L204 V320 D324 F325 P329 V330 M366	T200-I327 HydrophobicContact CG2-CG2 3.95Å; L204-I327 HydrophobicContact CD1-CG2 4.16Å; V320-I327 HydrophobicContact CG2-CG1 4.41Å; D324-I327 HydrophobicContact CB-CD1 4.31Å; D324-I327 HydrophobicContact CB-CG1 4.13Å; D324-I327 WeakPolarHBondContact O-CG1 3.43Å; D324-I327 PolarHBondContact O-N 3.3Å; D324-I327 VanDerWaalsContact O-N 3.08Å; F325-I327 PolarHBondContact O-N 3.23Å; F325-I327 VanDerWaalsContact O-N 3.17Å; I327-P329 VanDerWaalsContact C-N 3.31Å; I327-V330 WeakPolarHBondContact O-CB 3.43Å; I327-V330 PolarHBondContact O-N 2.89Å; I327-V330 VanDerWaalsContact O-N 3.15Å; I327-M366 HydrophobicContact CB-CE 4.28Å; I327-M366 HydrophobicContact CB-SD 3.92Å; I327-M366 HydrophobicContact CG2-CE 4.4Å; I327-M366 HydrophobicContact CG2-SD 3.53Å; I327-M366 VanDerWaalsContact CG2-SD 3.53Å
328	A	98.8	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-53.3	-38.3	176.7	0	0	0	0	0	114.1	V320 F325 V330 H331 A332 A419	V320-A328 HydrophobicContact CG2-CB 3.98Å; F325-A328 WeakPolarHBondContact O-CB 3.48Å; F325-A328 PolarHBondContact O-N 3.43Å; F325-A328 VanDerWaalsContact O-N 3.16Å; A328-V330 VanDerWaalsContact C-N 3.29Å; A328-V330 PolarHBondContact O-N 3.35Å; A328-H331 PolarHBondContact O-N 3.43Å; A328-A332 PolarHBondContact O-N 3.03Å; A328-A419 VanDerWaalsContact C-CB 3.45Å; A328-A419 HydrophobicContact CB-CB 3.65Å
329	P	98.9	Very high	98.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-33.5	179.4	-19.9	31.6	0	0	0	113.1	F325 P326 I327 H331 A332 V333 N363 C413 A419	F325-P329 WeakPolarHBondContact O-CD 3.39Å; P326-P329 WeakPolarHBondContact O-CD 3.37Å; I327-P329 VanDerWaalsContact C-N 3.31Å; P329-H331 PolarHBondContact O-N 2.82Å; P329-A332 PolarHBondContact O-N 2.69Å; P329-A332 VanDerWaalsContact O-N 3.15Å; P329-V333 WeakPolarHBondContact O-CB 3.42Å; P329-V333 VanDerWaalsContact O-CG2 3.22Å; P329-V333 WeakPolarHBondContact O-CG2 3.37Å; P329-V333 PolarHBondContact O-N 3.43Å; P329-N363 WeakPolarHBondContact CB-OD1 3.26Å; P329-C413 HydrophobicContact CG-CB 3.71Å; P329-A419 HydrophobicContact CB-CB 4.2Å; P329-A419 HydrophobicContact CG-CB 3.93Å
330	V	98.8	Very high	98.7	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-52.7	-44.1	175.2	180	0	0	0	0	110.9	I327 A328 S334 N363 M366 L367	I327-V330 WeakPolarHBondContact O-CB 3.43Å; I327-V330 PolarHBondContact O-N 2.89Å; I327-V330 VanDerWaalsContact O-N 3.15Å; A328-V330 VanDerWaalsContact C-N 3.29Å; A328-V330 PolarHBondContact O-N 3.35Å; V330-S334 WeakPolarHBondContact O-CB 3.25Å; V330-S334 PolarHBondContact O-N 3.36Å; V330-S334 PolarHBondContact O-OG 3.17Å; V330-N363 HydrophobicContact CG2-CB 4.38Å; V330-N363 WeakPolarHBondContact CG2-OD1 3.42Å; V330-N363 PolarHBondContact N-OD1 3.47Å; V330-N363 VanDerWaalsContact N-OD1 3.1Å; V330-M366 HydrophobicContact CG1-CB 4.07Å; V330-M366 HydrophobicContact CG1-CE 4.28Å; V330-M366 HydrophobicContact CG2-CB 3.84Å; V330-M366 HydrophobicContact CG2-CE 4.32Å; V330-M366 HydrophobicContact CG2-CG 4.5Å; V330-M366 HydrophobicContact CG2-SD 3.98Å; V330-L367 HydrophobicContact CB-CD2 4.49Å; V330-L367 HydrophobicContact CG1-CD2 3.76Å; V330-L367 HydrophobicContact CG1-CG 4.09Å; V330-L367 HydrophobicContact CG2-CG 4.43Å
331	H	98.8	Very high	98.6	Very high	80 Å²	80	43.4 Å²	43.4	37%	0.37	24%	0.236	S	C	.	.	H	α-helix	trans	-70.7	-45	-180	-61.2	-69.2	0	0	0	111.9	A318 A328 P329 V333 S334 M335	A318-H331 HydrophobicContact CB-CB 3.75Å; A328-H331 PolarHBondContact O-N 3.43Å; P329-H331 PolarHBondContact O-N 2.82Å; H331-V333 PolarHBondContact O-N 3.1Å; H331-S334 PolarHBondContact O-N 2.91Å; H331-M335 VanDerWaalsContact O-CG 3.3Å; H331-M335 WeakPolarHBondContact O-CG 3.43Å; H331-M335 PolarHBondContact O-N 3.04Å
332	A	98.8	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-43.1	178.1	0	0	0	0	0	111.8	A318 A328 P329 M335 V336 A419 A421	A318-A332 HydrophobicContact CB-CB 3.88Å; A328-A332 PolarHBondContact O-N 3.03Å; P329-A332 PolarHBondContact O-N 2.69Å; P329-A332 VanDerWaalsContact O-N 3.15Å; A332-M335 PolarHBondContact O-N 2.94Å; A332-V336 WeakPolarHBondContact O-CG2 3.46Å; A332-V336 PolarHBondContact O-N 3Å; A332-V336 VanDerWaalsContact O-N 3.08Å; A332-A419 HydrophobicContact CB-CB 4.2Å; A332-A421 HydrophobicContact CB-CB 3.69Å
333	V	98.8	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-50.2	173.2	167.9	0	0	0	0	110.8	P329 H331 M335 V336 L337 W350 L367 L409 A421	P329-V333 WeakPolarHBondContact O-CB 3.42Å; P329-V333 VanDerWaalsContact O-CG2 3.22Å; P329-V333 WeakPolarHBondContact O-CG2 3.37Å; P329-V333 PolarHBondContact O-N 3.43Å; H331-V333 PolarHBondContact O-N 3.1Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 2.82Å; V333-V336 PolarHBondContact O-N 3.39Å; V333-V336 VanDerWaalsContact O-N 3.15Å; V333-L337 HydrophobicContact CG1-CD1 3.91Å; V333-L337 HydrophobicContact CG1-CG 4.33Å; V333-L337 WeakPolarHBondContact O-CG 3.36Å; V333-L337 PolarHBondContact O-N 3.33Å; V333-W350 HydrophobicContact CG1-CH2 3.97Å; V333-W350 HydrophobicContact CG1-CZ3 3.55Å; V333-W350 HydrophobicContact CG2-CZ3 4.42Å; V333-L367 HydrophobicContact CB-CD1 4.34Å; V333-L367 HydrophobicContact CG1-CD1 4Å; V333-L367 HydrophobicContact CG1-CD2 4.09Å; V333-L367 HydrophobicContact CG2-CD1 4.41Å; V333-L409 HydrophobicContact CB-CD2 4.31Å; V333-L409 HydrophobicContact CG1-CD1 4.09Å; V333-L409 HydrophobicContact CG1-CD2 4.21Å; V333-L409 HydrophobicContact CG2-CD2 3.62Å; V333-A421 HydrophobicContact CG2-CB 4.36Å
334	S	98.6	Very high	98.6	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-36.9	-178.8	-61	0	0	0	0	112	V330 H331 K338	V330-S334 WeakPolarHBondContact O-CB 3.25Å; V330-S334 PolarHBondContact O-N 3.36Å; V330-S334 PolarHBondContact O-OG 3.17Å; H331-S334 PolarHBondContact O-N 2.91Å; S334-K338 WeakPolarHBondContact O-CB 3.25Å; S334-K338 PolarHBondContact O-N 3.08Å
335	M	98.8	Very high	98.6	Very high	95 Å²	95	50.2 Å²	50.2	47%	0.468	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-46.9	174.2	-71.5	171.2	68	0	0	111.8	A316 A318 H331 A332 V333 K338 D339	A316-M335 HydrophobicContact CB-CB 3.86Å; A316-M335 HydrophobicContact CB-CE 4.22Å; A318-M335 HydrophobicContact CB-SD 4Å; H331-M335 VanDerWaalsContact O-CG 3.3Å; H331-M335 WeakPolarHBondContact O-CG 3.43Å; H331-M335 PolarHBondContact O-N 3.04Å; A332-M335 PolarHBondContact O-N 2.94Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 2.82Å; M335-K338 PolarHBondContact O-N 2.87Å; M335-D339 WeakPolarHBondContact O-CB 3.47Å; M335-D339 PolarHBondContact O-N 3.25Å
336	V	98.8	Very high	98.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-48.8	178.8	170.6	0	0	0	0	111.5	A314 A316 A332 V333 K338 D339 V340 L409 A421 L423	A314-V336 HydrophobicContact CB-CG1 4.08Å; A316-V336 HydrophobicContact CB-CG2 3.66Å; A332-V336 WeakPolarHBondContact O-CG2 3.46Å; A332-V336 PolarHBondContact O-N 3Å; A332-V336 VanDerWaalsContact O-N 3.08Å; V333-V336 PolarHBondContact O-N 3.39Å; V333-V336 VanDerWaalsContact O-N 3.15Å; V336-K338 PolarHBondContact O-N 2.82Å; V336-D339 PolarHBondContact O-N 3.43Å; V336-V340 WeakPolarHBondContact O-CG2 3.5Å; V336-V340 PolarHBondContact O-N 2.86Å; V336-L409 HydrophobicContact CG1-CD1 4.3Å; V336-A421 HydrophobicContact CG2-CB 4Å; V336-L423 HydrophobicContact CG1-CB 3.5Å; V336-L423 HydrophobicContact CG1-CD2 4.35Å
337	L	98.8	Very high	98.6	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-45.3	178.9	-69.6	176.7	0	0	0	111.6	V333 D339 V340 G341 L342 K344 I347 W350 L409	V333-L337 HydrophobicContact CG1-CD1 3.91Å; V333-L337 HydrophobicContact CG1-CG 4.33Å; V333-L337 WeakPolarHBondContact O-CG 3.36Å; V333-L337 PolarHBondContact O-N 3.33Å; L337-D339 PolarHBondContact O-N 3.48Å; L337-V340 PolarHBondContact O-N 2.94Å; L337-G341 PolarHBondContact O-N 3.13Å; L337-L342 HydrophobicContact CD2-CB 4.17Å; L337-L342 PolarHBondContact O-N 3.37Å; L337-K344 HydrophobicContact CD1-CB 4.27Å; L337-I347 HydrophobicContact CD2-CD1 3.86Å; L337-I347 HydrophobicContact CD2-CG1 3.95Å; L337-W350 HydrophobicContact CD1-CH2 4.21Å; L337-L409 HydrophobicContact CD2-CD1 3.7Å; L337-L409 HydrophobicContact CG-CD1 3.93Å
338	K	98.6	Very high	98.6	Very high	183 Å²	183	53.6 Å²	53.6	80%	0.796	29%	0.285	S	S	*	.	H	α-helix	trans	-63.6	-40.7	178.8	-175.2	-177.5	179.2	-177.5	0	112.7	S334 M335 V336 V340 G341	S334-K338 WeakPolarHBondContact O-CB 3.25Å; S334-K338 PolarHBondContact O-N 3.08Å; M335-K338 PolarHBondContact O-N 2.87Å; V336-K338 PolarHBondContact O-N 2.82Å; K338-V340 VanDerWaalsContact C-N 3.34Å; K338-G341 PolarHBondContact O-N 3.29Å
339	D	98.1	Very high	98.6	Very high	107 Å²	107	54.1 Å²	54.1	57%	0.572	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-39.6	-178.8	-177.5	49	0	0	0	112.2	M335 V336 L337	M335-D339 WeakPolarHBondContact O-CB 3.47Å; M335-D339 PolarHBondContact O-N 3.25Å; V336-D339 PolarHBondContact O-N 3.43Å; L337-D339 PolarHBondContact O-N 3.48Å
340	V	97.9	Very high	98.6	Very high	53 Å²	53	54.2 Å²	54.2	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-87.5	-14.9	-179.8	-170.8	0	0	0	0	112.3	V313 A314 V336 L337 K338 L342 L423	V313-V340 HydrophobicContact CG1-CG1 3.84Å; V313-V340 HydrophobicContact CG1-CG2 4.07Å; A314-V340 HydrophobicContact CB-CG2 3.31Å; V336-V340 WeakPolarHBondContact O-CG2 3.5Å; V336-V340 PolarHBondContact O-N 2.86Å; L337-V340 PolarHBondContact O-N 2.94Å; K338-V340 VanDerWaalsContact C-N 3.34Å; V340-L342 VanDerWaalsContact C-N 3.35Å; V340-L342 HydrophobicContact CB-CG 4.42Å; V340-L342 HydrophobicContact CG1-CD1 4.11Å; V340-L342 HydrophobicContact CG1-CG 4.01Å; V340-L423 HydrophobicContact CB-CD2 4.35Å; V340-L423 HydrophobicContact CG1-CD2 4.27Å; V340-L423 HydrophobicContact CG2-CD2 4.03Å
341	G	98.1	Very high	98.6	Very high	64 Å²	64	53.7 Å²	53.7	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	24	-177.3	0	0	0	0	0	113.7	L337 K338	L337-G341 PolarHBondContact O-N 3.13Å; K338-G341 PolarHBondContact O-N 3.29Å
342	L	98.5	Very high	98.6	Very high	35 Å²	35	50 Å²	50	18%	0.183	27%	0.268	C	S	.	.			trans	-92.1	157.2	173.8	-66.9	179.8	0	0	0	110.9	L337 V340 D346 Y407 L423	L337-L342 HydrophobicContact CD2-CB 4.17Å; L337-L342 PolarHBondContact O-N 3.37Å; V340-L342 VanDerWaalsContact C-N 3.35Å; V340-L342 HydrophobicContact CB-CG 4.42Å; V340-L342 HydrophobicContact CG1-CD1 4.11Å; V340-L342 HydrophobicContact CG1-CG 4.01Å; L342-D346 HydrophobicContact CB-CB 4.45Å; L342-D346 HydrophobicContact CD2-CB 4.27Å; L342-Y407 HydrophobicContact CD1-CD1 4.05Å; L342-Y407 HydrophobicContact CD1-CD2 4.13Å; L342-Y407 HydrophobicContact CD1-CE1 4.05Å; L342-Y407 HydrophobicContact CD1-CE2 4.15Å; L342-Y407 HydrophobicContact CD1-CG 4.08Å; L342-Y407 HydrophobicContact CD2-CE2 4.49Å; L342-L423 HydrophobicContact CD1-CD2 3.78Å
343	K	98.4	Very high	98.6	Very high	145 Å²	145	50 Å²	50	63%	0.63	27%	0.268	S	S	*	.			trans	-101.3	163.4	171.6	-55.8	179.3	178	175.5	0	110.5	E345 D346	K343-E345 WeakPolarHBondContact CB-OE2 3.12Å; K343-E345 PolarHBondContact O-N 3.4Å; K343-D346 PolarHBondContact N-OD2 2.85Å; K343-D346 WeakPolarHBondContact O-CB 3.43Å; K343-D346 PolarHBondContact O-N 2.86Å; K343-D346 VanDerWaalsContact O-N 3.11Å
344	K	98.3	Very high	98.6	Very high	58 Å²	58	50.1 Å²	50.1	25%	0.252	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.7	177.4	63.5	-175.4	178.9	-179.3	0	112.2	L337 D346 I347 W350 L367 E368 I369	L337-K344 HydrophobicContact CD1-CB 4.27Å; K344-D346 VanDerWaalsContact C-N 3.29Å; K344-D346 PolarHBondContact O-N 2.94Å; K344-I347 PolarHBondContact O-N 3.36Å; K344-W350 HydrophobicContact CB-CH2 4.29Å; K344-W350 HydrophobicContact CB-CZ2 4.06Å; K344-W350 WeakPolarHBondContact O-CZ2 3.42Å; K344-L367 WeakPolarHBondContact CD-O 3.38Å; K344-L367 PolarHBondContact NZ-O 3.22Å; K344-E368 PolarHBondContact NZ-O 3.45Å; K344-E368 IonicContact NZ-OE2 3.3Å; K344-E368 PolarHBondContact NZ-OE2 3.42Å; K344-I369 HydrophobicContact CB-CG2 4Å; K344-I369 HydrophobicContact CD-CG2 4.09Å; K344-I369 HydrophobicContact CG-CG2 4.41Å
345	E	98.5	Very high	98.6	Very high	115 Å²	115	47.8 Å²	47.8	54%	0.537	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-70.6	-23.9	177.9	-61.1	74.1	-156.5	0	0	113	K343 I347	K343-E345 WeakPolarHBondContact CB-OE2 3.12Å; K343-E345 PolarHBondContact O-N 3.4Å; E345-I347 PolarHBondContact O-N 2.76Å
346	D	98.6	Very high	98.6	Very high	78 Å²	78	43.8 Å²	43.8	42%	0.417	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-75	-12.1	178.7	-57.9	-43.1	0	0	0	112.4	L342 K343 K344	L342-D346 HydrophobicContact CB-CB 4.45Å; L342-D346 HydrophobicContact CD2-CB 4.27Å; K343-D346 PolarHBondContact N-OD2 2.85Å; K343-D346 WeakPolarHBondContact O-CB 3.43Å; K343-D346 PolarHBondContact O-N 2.86Å; K343-D346 VanDerWaalsContact O-N 3.11Å; K344-D346 VanDerWaalsContact C-N 3.29Å; K344-D346 PolarHBondContact O-N 2.94Å
347	I	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.2	179.9	-51.7	-53.7	0	0	0	109.6	L337 K344 E345 M349 W350 L409 L423	L337-I347 HydrophobicContact CD2-CD1 3.86Å; L337-I347 HydrophobicContact CD2-CG1 3.95Å; K344-I347 PolarHBondContact O-N 3.36Å; E345-I347 PolarHBondContact O-N 2.76Å; I347-M349 VanDerWaalsContact CG2-O 3.27Å; I347-M349 WeakPolarHBondContact CG2-O 3.29Å; I347-W350 HydrophobicContact CB-CD2 4.35Å; I347-W350 HydrophobicContact CB-CH2 4.17Å; I347-W350 HydrophobicContact CB-CZ2 3.48Å; I347-W350 VanDerWaalsContact CB-CZ2 3.48Å; I347-W350 HydrophobicContact CG1-CH2 3.8Å; I347-W350 HydrophobicContact CG1-CZ2 3.58Å; I347-W350 HydrophobicContact CG2-CD2 3.75Å; I347-W350 VanDerWaalsContact CG2-CE2 3.47Å; I347-W350 HydrophobicContact CG2-CE3 4.28Å; I347-W350 HydrophobicContact CG2-CG 4.11Å; I347-W350 HydrophobicContact CG2-CH2 4.37Å; I347-W350 HydrophobicContact CG2-CZ2 3.83Å; I347-L409 HydrophobicContact CD1-CB 4.31Å; I347-L409 HydrophobicContact CD1-CD1 4.22Å; I347-L409 HydrophobicContact CG1-CB 4.4Å; I347-L409 HydrophobicContact CG1-CD1 4.34Å; I347-L409 HydrophobicContact CG2-CB 3.87Å; I347-L423 HydrophobicContact CD1-CD1 3.68Å
348	A	98.9	Very high	98.6	Very high	30 Å²	30	43 Å²	43	25%	0.248	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-37.9	179.2	0	0	0	0	0	111.8	L402 E406 Y407	A348-L402 HydrophobicContact CB-CD2 4.34Å; A348-E406 HydrophobicContact CB-CB 3.75Å; A348-E406 HydrophobicContact CB-CG 3.88Å; A348-Y407 PolarHBondContact N-O 2.67Å
349	M	98.9	Very high	98.6	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.4	-176.4	-164.5	178.5	-53.9	0	0	111.9	I347 I376 L398 A401 L402 G408 L409	I347-M349 VanDerWaalsContact CG2-O 3.27Å; I347-M349 WeakPolarHBondContact CG2-O 3.29Å; M349-I376 HydrophobicContact CE-CD1 3.42Å; M349-I376 VanDerWaalsContact CE-CD1 3.42Å; M349-I376 HydrophobicContact CE-CG1 4.22Å; M349-I376 HydrophobicContact CG-CD1 4.35Å; M349-I376 HydrophobicContact CG-CG1 4.35Å; M349-I376 HydrophobicContact SD-CD1 3.85Å; M349-I376 HydrophobicContact SD-CG1 3.97Å; M349-L398 HydrophobicContact CB-CD2 3.92Å; M349-L398 HydrophobicContact CG-CD2 3.77Å; M349-L398 HydrophobicContact SD-CD2 3.8Å; M349-A401 HydrophobicContact CE-CB 3.82Å; M349-A401 HydrophobicContact SD-CB 3.8Å; M349-L402 HydrophobicContact CB-CD2 3.72Å; M349-L402 HydrophobicContact CE-CD2 4.4Å; M349-G408 VanDerWaalsContact O-CA 3.23Å; M349-G408 WeakPolarHBondContact O-CA 3.44Å; M349-L409 PolarHBondContact O-N 3.03Å
350	W	98.9	Very high	98.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.4	178	-59.6	85.7	0	0	0	109.8	V333 L337 K344 I347 I369 K373 V374 N375 L409	V333-W350 HydrophobicContact CG1-CH2 3.97Å; V333-W350 HydrophobicContact CG1-CZ3 3.55Å; V333-W350 HydrophobicContact CG2-CZ3 4.42Å; L337-W350 HydrophobicContact CD1-CH2 4.21Å; K344-W350 HydrophobicContact CB-CH2 4.29Å; K344-W350 HydrophobicContact CB-CZ2 4.06Å; K344-W350 WeakPolarHBondContact O-CZ2 3.42Å; I347-W350 HydrophobicContact CB-CD2 4.35Å; I347-W350 HydrophobicContact CB-CH2 4.17Å; I347-W350 HydrophobicContact CB-CZ2 3.48Å; I347-W350 VanDerWaalsContact CB-CZ2 3.48Å; I347-W350 HydrophobicContact CG1-CH2 3.8Å; I347-W350 HydrophobicContact CG1-CZ2 3.58Å; I347-W350 HydrophobicContact CG2-CD2 3.75Å; I347-W350 VanDerWaalsContact CG2-CE2 3.47Å; I347-W350 HydrophobicContact CG2-CE3 4.28Å; I347-W350 HydrophobicContact CG2-CG 4.11Å; I347-W350 HydrophobicContact CG2-CH2 4.37Å; I347-W350 HydrophobicContact CG2-CZ2 3.83Å; W350-I369 HydrophobicContact CD2-CD1 3.92Å; W350-I369 HydrophobicContact CE3-CD1 4.26Å; W350-I369 HydrophobicContact CG-CD1 4.13Å; W350-I369 HydrophobicContact CH2-CG2 4.29Å; W350-I369 HydrophobicContact CZ2-CG2 3.75Å; W350-K373 PolarHBondContact N-O 2.84Å; W350-V374 HydrophobicContact CB-CB 4.36Å; W350-V374 HydrophobicContact CB-CG1 4.44Å; W350-V374 HydrophobicContact CB-CG2 3.92Å; W350-V374 HydrophobicContact CG-CG2 4.2Å; W350-N375 PolarHBondContact O-N 2.56Å; W350-L409 WeakPolarHBondContact CA-O 3.32Å; W350-L409 HydrophobicContact CE3-CB 3.91Å; W350-L409 HydrophobicContact CE3-CD2 4.23Å; W350-L409 HydrophobicContact CE3-CG 4.46Å; W350-L409 HydrophobicContact CH2-CD1 4.2Å; W350-L409 HydrophobicContact CZ3-CB 3.93Å; W350-L409 HydrophobicContact CZ3-CD1 3.8Å; W350-L409 HydrophobicContact CZ3-CD2 3.95Å; W350-L409 HydrophobicContact CZ3-CG 4.1Å
351	E	98.9	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	97.5	164.7	-79.9	-71.9	136.1	0	0	108.6	N375 I394 H397 L398 L409 A410 S411	E351-N375 WeakPolarHBondContact CA-OD1 3.37Å; E351-I394 HydrophobicContact CB-CB 3.81Å; E351-I394 HydrophobicContact CB-CG2 4.31Å; E351-I394 HydrophobicContact CG-CB 4.15Å; E351-I394 VanDerWaalsContact OE2-CG2 3.3Å; E351-I394 WeakPolarHBondContact OE2-CG2 3.47Å; E351-H397 IonicContact OE1-CD2 3.64Å; E351-H397 PolarHBondContact OE1-CD2 3.06Å; E351-L398 HydrophobicContact CB-CD1 4.38Å; E351-L398 HydrophobicContact CB-CD2 4.42Å; E351-L398 HydrophobicContact CB-CG 4.26Å; E351-L398 HydrophobicContact CG-CD1 4.42Å; E351-L398 HydrophobicContact CG-CD2 3.77Å; E351-L398 HydrophobicContact CG-CG 3.77Å; E351-L409 PolarHBondContact N-O 2.84Å; E351-A410 HydrophobicContact CB-CB 4.18Å; E351-A410 CarbonylContact O-C 3.58Å; E351-A410 VanDerWaalsContact O-CA 3.25Å; E351-A410 WeakPolarHBondContact O-CA 3.33Å; E351-S411 PolarHBondContact O-N 2.79Å
352	V	98.9	Very high	98.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.8	173.2	-177.9	0	0	0	0	106.7	E354 V360 N363 V374 N375	V352-E354 PolarHBondContact O-N 2.88Å; V352-E354 VanDerWaalsContact O-N 3.16Å; V352-V360 HydrophobicContact CB-CG1 4.46Å; V352-V360 HydrophobicContact CG1-CG2 4.44Å; V352-N363 HydrophobicContact CG1-CB 4.07Å; V352-V374 HydrophobicContact CB-CG1 4.4Å; V352-V374 HydrophobicContact CG2-CG1 4.25Å; V352-N375 PolarHBondContact N-OD1 3.04Å; V352-N375 PolarHBondContact O-ND2 3.17Å; V352-N375 PolarHBondContact O-OD1 3.33Å
353	N	98.9	Very high	98.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	12%	0.116	C	C	.	.			trans	-54.9	125	-172.7	-173.8	69.8	0	0	0	111.7	A355 H385 I394 S411 I412	N353-A355 PolarHBondContact O-N 3.43Å; N353-H385 PolarHBondContact ND2-CE1 2.88Å; N353-H385 VanDerWaalsContact ND2-CE1 3.29Å; N353-I394 HydrophobicContact CB-CD1 4.21Å; N353-S411 PolarHBondContact N-O 3.36Å; N353-I412 HydrophobicContact CB-CB 3.94Å; N353-I412 HydrophobicContact CB-CD1 3.74Å; N353-I412 HydrophobicContact CB-CG1 3.66Å
354	E	98.8	Very high	98.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.092	C	C	.	.			trans	-80.8	60.3	-175	-39.4	-174.5	143.5	0	0	112	Y214 S218 V352 F356 V360 N375 G379 A380 V381	Y214-E354 HydrophobicContact CE1-CG 4.35Å; Y214-E354 WeakPolarHBondContact CE1-OE1 3.36Å; Y214-E354 PolarHBondContact OH-OE1 2.92Å; S218-E354 WeakPolarHBondContact CB-OE2 3.17Å; S218-E354 PolarHBondContact OG-OE1 3.28Å; S218-E354 PolarHBondContact OG-OE2 2.95Å; V352-E354 PolarHBondContact O-N 2.88Å; V352-E354 VanDerWaalsContact O-N 3.16Å; E354-F356 PolarHBondContact O-N 3.24Å; E354-V360 HydrophobicContact CB-CG2 4.09Å; E354-V360 HydrophobicContact CG-CG2 3.89Å; E354-N375 WeakPolarHBondContact CG-ND2 3.35Å; E354-N375 PolarHBondContact OE1-ND2 2.95Å; E354-G379 VanDerWaalsContact CD-CA 3.41Å; E354-G379 WeakPolarHBondContact OE2-CA 3.35Å; E354-G379 PolarHBondContact OE2-N 2.8Å; E354-A380 HydrophobicContact CB-CB 4.07Å; E354-A380 WeakPolarHBondContact O-CB 3.31Å; E354-A380 PolarHBondContact OE2-N 3.28Å; E354-V381 HydrophobicContact CB-CB 4.23Å; E354-V381 HydrophobicContact CB-CG2 3.71Å; E354-V381 PolarHBondContact O-N 2.82Å; E354-V381 WeakPolarHBondContact OE2-CB 3.39Å; E354-V381 PolarHBondContact OE2-N 2.8Å; E354-V381 VanDerWaalsContact OE2-N 3.08Å
355	A	98.1	Very high	98.8	Very high	6 Å²	6	20.2 Å²	20.2	5%	0.05	10%	0.103	C	C	.	.	S	Bend	trans	-57.7	-38.3	174.4	0	0	0	0	0	110.9	S284 N353 V359	S284-A355 WeakPolarHBondContact CB-O 3.5Å; S284-A355 PolarHBondContact N-O 3.04Å; S284-A355 PolarHBondContact OG-O 3.28Å; S284-A355 VanDerWaalsContact OG-O 3.05Å; N353-A355 PolarHBondContact O-N 3.43Å; A355-V359 HydrophobicContact CB-CG2 4.33Å
356	F	98.9	Very high	98.8	Very high	12 Å²	12	18.2 Å²	18.2	5%	0.053	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-142.3	153.4	164.2	-57.9	-89.2	0	0	0	107.5	M193 G194 A197 F271 I278 A283 F325 E354 L358 V359	M193-F356 HydrophobicContact CB-CE2 4.26Å; M193-F356 HydrophobicContact CB-CZ 4.28Å; G194-F356 VanDerWaalsContact CA-CZ 3.48Å; A197-F356 HydrophobicContact CB-CB 4.47Å; A197-F356 HydrophobicContact CB-CD1 4.45Å; A197-F356 HydrophobicContact CB-CD2 3.85Å; A197-F356 HydrophobicContact CB-CE2 4.24Å; A197-F356 HydrophobicContact CB-CG 3.99Å; F271-F356 AromaticContact CE2-CE1 3.93Å; F271-F356 HydrophobicContact CE2-CE1 3.93Å; I278-F356 HydrophobicContact CD1-CB 4.19Å; I278-F356 HydrophobicContact CD1-CD1 4.14Å; I278-F356 HydrophobicContact CD1-CG 4.37Å; I278-F356 HydrophobicContact CG2-CD1 3.64Å; I278-F356 HydrophobicContact CG2-CE1 3.92Å; A283-F356 HydrophobicContact CB-CD1 3.44Å; A283-F356 VanDerWaalsContact CB-CD1 3.44Å; A283-F356 HydrophobicContact CB-CE1 3.57Å; F325-F356 HydrophobicContact CZ-CD2 4.43Å; F325-F356 HydrophobicContact CZ-CE2 4.07Å; E354-F356 PolarHBondContact O-N 3.24Å; F356-L358 HydrophobicContact CB-CB 4.19Å; F356-L358 PolarHBondContact O-N 3.03Å; F356-V359 HydrophobicContact CB-CG2 4.24Å; F356-V359 HydrophobicContact CD2-CG2 4.23Å; F356-V359 WeakPolarHBondContact O-CB 3.41Å; F356-V359 PolarHBondContact O-N 3.48Å
357	S	98.9	Very high	98.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-53.1	-37.7	171.4	-60.1	0	0	0	0	111.1	Q211 N282 V359 V360 L361	Q211-S357 WeakPolarHBondContact O-CB 3.4Å; Q211-S357 PolarHBondContact O-OG 3.34Å; N282-S357 WeakPolarHBondContact O-CB 3.22Å; N282-S357 PolarHBondContact O-N 3.1Å; N282-S357 PolarHBondContact O-OG 3.16Å; S357-V359 VanDerWaalsContact C-N 3.32Å; S357-V359 PolarHBondContact O-N 3.43Å; S357-V360 PolarHBondContact O-N 2.59Å; S357-L361 WeakPolarHBondContact O-CG 3.4Å; S357-L361 PolarHBondContact O-N 2.99Å; S357-L361 VanDerWaalsContact O-N 3.11Å
358	L	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.1	-45.2	172.2	179.3	-78.5	0	0	0	113.4	A197 T200 A201 I206 Q211 I278 P326 F356 V360 L361 A362	A197-L358 HydrophobicContact CB-CD1 4.24Å; T200-L358 HydrophobicContact CG2-CD1 3.92Å; A201-L358 HydrophobicContact CB-CD2 3.67Å; A201-L358 HydrophobicContact CB-CG 4.05Å; I206-L358 HydrophobicContact CB-CD2 3.72Å; I206-L358 HydrophobicContact CD1-CD2 3.6Å; I206-L358 HydrophobicContact CG1-CD2 4.23Å; I206-L358 HydrophobicContact CG2-CD2 3.77Å; Q211-L358 HydrophobicContact CG-CB 4.42Å; I278-L358 HydrophobicContact CD1-CB 3.86Å; I278-L358 HydrophobicContact CD1-CG 4.49Å; P326-L358 HydrophobicContact CB-CD1 3.93Å; P326-L358 HydrophobicContact CG-CD1 4.3Å; F356-L358 HydrophobicContact CB-CB 4.19Å; F356-L358 PolarHBondContact O-N 3.03Å; L358-V360 VanDerWaalsContact C-N 3.3Å; L358-V360 PolarHBondContact O-N 3.05Å; L358-L361 PolarHBondContact O-N 2.96Å; L358-A362 VanDerWaalsContact O-CB 3.31Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 3.02Å
359	V	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.1	-44.7	-177	174.8	0	0	0	0	110	F325 P326 A355 F356 S357 A362 N363	F325-V359 HydrophobicContact CE2-CG2 4.38Å; P326-V359 HydrophobicContact CB-CG2 3.99Å; P326-V359 HydrophobicContact CG-CG2 4.42Å; A355-V359 HydrophobicContact CB-CG2 4.33Å; F356-V359 HydrophobicContact CB-CG2 4.24Å; F356-V359 HydrophobicContact CD2-CG2 4.23Å; F356-V359 WeakPolarHBondContact O-CB 3.41Å; F356-V359 PolarHBondContact O-N 3.48Å; S357-V359 VanDerWaalsContact C-N 3.32Å; S357-V359 PolarHBondContact O-N 3.43Å; V359-A362 PolarHBondContact O-N 2.79Å; V359-N363 PolarHBondContact O-N 3.05Å; V359-N363 VanDerWaalsContact O-N 3.08Å; V359-N363 PolarHBondContact O-ND2 2.84Å
360	V	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-45.8	-179	-171.5	0	0	0	0	111	Y214 V352 E354 S357 L358 A362 N363 I364 V374	Y214-V360 HydrophobicContact CE1-CB 4.14Å; Y214-V360 HydrophobicContact CE1-CG2 4.04Å; Y214-V360 HydrophobicContact CE2-CB 3.82Å; Y214-V360 HydrophobicContact CE2-CG1 3.53Å; Y214-V360 HydrophobicContact CE2-CG2 4.46Å; Y214-V360 WeakPolarHBondContact OH-CG1 3.05Å; V352-V360 HydrophobicContact CB-CG1 4.46Å; V352-V360 HydrophobicContact CG1-CG2 4.44Å; E354-V360 HydrophobicContact CB-CG2 4.09Å; E354-V360 HydrophobicContact CG-CG2 3.89Å; S357-V360 PolarHBondContact O-N 2.59Å; L358-V360 VanDerWaalsContact C-N 3.3Å; L358-V360 PolarHBondContact O-N 3.05Å; V360-A362 VanDerWaalsContact C-N 3.3Å; V360-A362 PolarHBondContact O-N 2.93Å; V360-N363 PolarHBondContact O-N 2.9Å; V360-N363 VanDerWaalsContact O-N 3.14Å; V360-I364 HydrophobicContact CG1-CD1 3.82Å; V360-I364 HydrophobicContact CG1-CG1 4.24Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 3.23Å; V360-V374 HydrophobicContact CG1-CG1 3.6Å
361	L	98.9	Very high	98.7	Very high	30 Å²	30	28 Å²	28	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-41.1	177.8	-69	170.2	0	0	0	111.9	I206 E210 Q211 Y214 S357 L358 N363 I364 K365	I206-L361 HydrophobicContact CD1-CB 4.14Å; I206-L361 HydrophobicContact CG2-CB 4.02Å; I206-L361 HydrophobicContact CG2-CD1 3.73Å; E210-L361 HydrophobicContact CB-CD1 4.13Å; Q211-L361 HydrophobicContact CB-CD1 4.45Å; Q211-L361 HydrophobicContact CG-CD1 3.89Å; Y214-L361 HydrophobicContact CD2-CD2 4.02Å; Y214-L361 HydrophobicContact CD2-CG 4.24Å; Y214-L361 HydrophobicContact CG-CD2 4.43Å; Y214-L361 HydrophobicContact CG-CG 4.31Å; S357-L361 WeakPolarHBondContact O-CG 3.4Å; S357-L361 PolarHBondContact O-N 2.99Å; S357-L361 VanDerWaalsContact O-N 3.11Å; L358-L361 PolarHBondContact O-N 2.96Å; L361-N363 PolarHBondContact O-N 2.89Å; L361-I364 PolarHBondContact O-N 3.01Å; L361-K365 VanDerWaalsContact O-CB 3.29Å; L361-K365 WeakPolarHBondContact O-CB 3.15Å; L361-K365 PolarHBondContact O-N 3.02Å
362	A	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-44.4	175	0	0	0	0	0	111.8	T200 L204 I206 L358 V359 V360 K365 M366	T200-A362 HydrophobicContact CG2-CB 4.32Å; L204-A362 HydrophobicContact CD1-CB 3.63Å; I206-A362 HydrophobicContact CD1-CB 3.89Å; L358-A362 VanDerWaalsContact O-CB 3.31Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 3.02Å; V359-A362 PolarHBondContact O-N 2.79Å; V360-A362 VanDerWaalsContact C-N 3.3Å; V360-A362 PolarHBondContact O-N 2.93Å; A362-K365 PolarHBondContact O-N 3.5Å; A362-M366 WeakPolarHBondContact O-CB 3.33Å; A362-M366 VanDerWaalsContact O-CG 3.29Å; A362-M366 WeakPolarHBondContact O-CG 3.3Å; A362-M366 PolarHBondContact O-N 3.15Å
363	N	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.2	-42	179.4	-80.7	-94	0	0	0	112.3	P326 P329 V330 V352 V359 V360 L361 K365 M366 L367	P326-N363 PolarHBondContact O-ND2 3.16Å; P329-N363 WeakPolarHBondContact CB-OD1 3.26Å; V330-N363 HydrophobicContact CG2-CB 4.38Å; V330-N363 WeakPolarHBondContact CG2-OD1 3.42Å; V330-N363 PolarHBondContact N-OD1 3.47Å; V330-N363 VanDerWaalsContact N-OD1 3.1Å; V352-N363 HydrophobicContact CG1-CB 4.07Å; V359-N363 PolarHBondContact O-N 3.05Å; V359-N363 VanDerWaalsContact O-N 3.08Å; V359-N363 PolarHBondContact O-ND2 2.84Å; V360-N363 PolarHBondContact O-N 2.9Å; V360-N363 VanDerWaalsContact O-N 3.14Å; L361-N363 PolarHBondContact O-N 2.89Å; N363-K365 VanDerWaalsContact C-N 3.31Å; N363-K365 PolarHBondContact O-N 3.38Å; N363-M366 PolarHBondContact O-N 3.29Å; N363-L367 VanDerWaalsContact O-CB 3.27Å; N363-L367 WeakPolarHBondContact O-CB 3.3Å; N363-L367 WeakPolarHBondContact O-CG 3.42Å; N363-L367 PolarHBondContact O-N 3.09Å
364	I	98.9	Very high	98.7	Very high	24 Å²	24	37.4 Å²	37.4	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-48.8	172.7	-73.9	171.4	0	0	0	110.2	V360 L361 E368 I369 P371 V374	V360-I364 HydrophobicContact CG1-CD1 3.82Å; V360-I364 HydrophobicContact CG1-CG1 4.24Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 3.23Å; L361-I364 PolarHBondContact O-N 3.01Å; I364-E368 WeakPolarHBondContact O-CA 3.22Å; I364-E368 PolarHBondContact O-N 3.37Å; I364-I369 HydrophobicContact CG1-CG1 4.32Å; I364-I369 PolarHBondContact O-N 2.84Å; I364-P371 HydrophobicContact CD1-CB 4.15Å; I364-P371 HydrophobicContact CD1-CG 4.49Å; I364-P371 HydrophobicContact CG2-CG 3.94Å; I364-V374 HydrophobicContact CD1-CB 4.36Å; I364-V374 HydrophobicContact CD1-CG1 4.36Å; I364-V374 HydrophobicContact CD1-CG2 4.34Å; I364-V374 HydrophobicContact CG1-CG1 4.49Å; I364-V374 HydrophobicContact CG1-CG2 4.09Å
365	K	98.7	Very high	98.7	Very high	111 Å²	111	37.4 Å²	37.4	48%	0.483	19%	0.185	S	C	.	.	H	α-helix	trans	-63.9	-46.7	-178.6	-176.7	172.3	-176.3	166.5	0	112.4	L204 L361 A362 N363	L204-K365 PolarHBondContact O-NZ 3.2Å; L361-K365 VanDerWaalsContact O-CB 3.29Å; L361-K365 WeakPolarHBondContact O-CB 3.15Å; L361-K365 PolarHBondContact O-N 3.02Å; A362-K365 PolarHBondContact O-N 3.5Å; N363-K365 VanDerWaalsContact C-N 3.31Å; N363-K365 PolarHBondContact O-N 3.38Å
366	M	98.8	Very high	98.7	Very high	74 Å²	74	39 Å²	39	37%	0.365	19%	0.192	S	C	.	.	H	α-helix	trans	-77.6	-33.9	-174.6	-69.7	179.6	70.8	0	0	113.6	L204 I327 V330 A362 N363	L204-M366 HydrophobicContact CD1-CG 4.44Å; L204-M366 HydrophobicContact CD1-SD 4.03Å; I327-M366 HydrophobicContact CB-CE 4.28Å; I327-M366 HydrophobicContact CB-SD 3.92Å; I327-M366 HydrophobicContact CG2-CE 4.4Å; I327-M366 HydrophobicContact CG2-SD 3.53Å; I327-M366 VanDerWaalsContact CG2-SD 3.53Å; V330-M366 HydrophobicContact CG1-CB 4.07Å; V330-M366 HydrophobicContact CG1-CE 4.28Å; V330-M366 HydrophobicContact CG2-CB 3.84Å; V330-M366 HydrophobicContact CG2-CE 4.32Å; V330-M366 HydrophobicContact CG2-CG 4.5Å; V330-M366 HydrophobicContact CG2-SD 3.98Å; A362-M366 WeakPolarHBondContact O-CB 3.33Å; A362-M366 VanDerWaalsContact O-CG 3.29Å; A362-M366 WeakPolarHBondContact O-CG 3.3Å; A362-M366 PolarHBondContact O-N 3.15Å; N363-M366 PolarHBondContact O-N 3.29Å
367	L	98.4	Very high	98.7	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-83.9	-16.8	174.9	-65.2	168.6	0	0	0	111.9	V330 V333 K344 N363 I369	V330-L367 HydrophobicContact CB-CD2 4.49Å; V330-L367 HydrophobicContact CG1-CD2 3.76Å; V330-L367 HydrophobicContact CG1-CG 4.09Å; V330-L367 HydrophobicContact CG2-CG 4.43Å; V333-L367 HydrophobicContact CB-CD1 4.34Å; V333-L367 HydrophobicContact CG1-CD1 4Å; V333-L367 HydrophobicContact CG1-CD2 4.09Å; V333-L367 HydrophobicContact CG2-CD1 4.41Å; K344-L367 WeakPolarHBondContact CD-O 3.38Å; K344-L367 PolarHBondContact NZ-O 3.22Å; N363-L367 VanDerWaalsContact O-CB 3.27Å; N363-L367 WeakPolarHBondContact O-CB 3.3Å; N363-L367 WeakPolarHBondContact O-CG 3.42Å; N363-L367 PolarHBondContact O-N 3.09Å; L367-I369 HydrophobicContact CB-CD1 4.4Å; L367-I369 HydrophobicContact CB-CG1 4.17Å; L367-I369 HydrophobicContact CB-CG2 3.82Å; L367-I369 HydrophobicContact CD1-CD1 4.18Å
368	E	98.6	Very high	98.7	Very high	150 Å²	150	38.9 Å²	38.9	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	57.2	-172.3	-48.4	167.7	157.5	0	0	110.7	K344 I364	K344-E368 PolarHBondContact NZ-O 3.45Å; K344-E368 IonicContact NZ-OE2 3.3Å; K344-E368 PolarHBondContact NZ-OE2 3.42Å; I364-E368 WeakPolarHBondContact O-CA 3.22Å; I364-E368 PolarHBondContact O-N 3.37Å
369	I	98.5	Very high	98.7	Very high	14 Å²	14	39 Å²	39	7%	0.072	19%	0.193	C	C	.	.			trans	-105.7	153.9	-179.7	54	173.6	0	0	0	111	K344 W350 I364 L367 P371 V374	K344-I369 HydrophobicContact CB-CG2 4Å; K344-I369 HydrophobicContact CD-CG2 4.09Å; K344-I369 HydrophobicContact CG-CG2 4.41Å; W350-I369 HydrophobicContact CD2-CD1 3.92Å; W350-I369 HydrophobicContact CE3-CD1 4.26Å; W350-I369 HydrophobicContact CG-CD1 4.13Å; W350-I369 HydrophobicContact CH2-CG2 4.29Å; W350-I369 HydrophobicContact CZ2-CG2 3.75Å; I364-I369 HydrophobicContact CG1-CG1 4.32Å; I364-I369 PolarHBondContact O-N 2.84Å; L367-I369 HydrophobicContact CB-CD1 4.4Å; L367-I369 HydrophobicContact CB-CG1 4.17Å; L367-I369 HydrophobicContact CB-CG2 3.82Å; L367-I369 HydrophobicContact CD1-CD1 4.18Å; I369-P371 VanDerWaalsContact O-CD 3.26Å; I369-P371 WeakPolarHBondContact O-CD 3.3Å; I369-V374 HydrophobicContact CD1-CG2 3.72Å; I369-V374 HydrophobicContact CG1-CG2 4.24Å
370	D	98.6	Very high	98.7	Very high	79 Å²	79	39 Å²	39	42%	0.422	19%	0.193	S	C	.	.			trans	-64.8	115.6	179.3	178.6	4.2	0	0	0	111.4	Q372 K373	D370-Q372 PolarHBondContact O-N 2.99Å; D370-Q372 VanDerWaalsContact O-N 3.12Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.5Å; D370-Q372 PolarHBondContact OD1-N 2.7Å; D370-K373 HydrophobicContact CB-CD 4.32Å; D370-K373 HydrophobicContact CB-CG 4.28Å; D370-K373 PolarHBondContact O-N 2.89Å
371	P	98.3	Very high	98.7	Very high	69 Å²	69	39 Å²	39	45%	0.448	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.9	178.3	-22.2	33	0	0	0	113.7	I364 I369 K373 V374	I364-P371 HydrophobicContact CD1-CB 4.15Å; I364-P371 HydrophobicContact CD1-CG 4.49Å; I364-P371 HydrophobicContact CG2-CG 3.94Å; I369-P371 VanDerWaalsContact O-CD 3.26Å; I369-P371 WeakPolarHBondContact O-CD 3.3Å; P371-K373 PolarHBondContact O-N 3.03Å; P371-V374 PolarHBondContact O-N 3.14Å
372	Q	98.5	Very high	98.7	Very high	125 Å²	125	37.5 Å²	37.5	58%	0.584	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-71.2	-15.4	179	-61	-58	-34.6	0	0	113.3	D370 I376	D370-Q372 PolarHBondContact O-N 2.99Å; D370-Q372 VanDerWaalsContact O-N 3.12Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.5Å; D370-Q372 PolarHBondContact OD1-N 2.7Å; Q372-I376 WeakPolarHBondContact O-CG2 3.17Å
373	K	98.8	Very high	98.7	Very high	72 Å²	72	37.6 Å²	37.6	31%	0.313	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-97.6	-1.9	175.7	-63.3	-177.5	176.2	-175.4	0	113.4	W350 D370 P371	W350-K373 PolarHBondContact N-O 2.84Å; D370-K373 HydrophobicContact CB-CD 4.32Å; D370-K373 HydrophobicContact CB-CG 4.28Å; D370-K373 PolarHBondContact O-N 2.89Å; P371-K373 PolarHBondContact O-N 3.03Å
374	V	98.9	Very high	98.7	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-103.3	126.5	-174.8	-176.3	0	0	0	0	110.5	W350 V352 V360 I364 I369 P371 I376	W350-V374 HydrophobicContact CB-CB 4.36Å; W350-V374 HydrophobicContact CB-CG1 4.44Å; W350-V374 HydrophobicContact CB-CG2 3.92Å; W350-V374 HydrophobicContact CG-CG2 4.2Å; V352-V374 HydrophobicContact CB-CG1 4.4Å; V352-V374 HydrophobicContact CG2-CG1 4.25Å; V360-V374 HydrophobicContact CG1-CG1 3.6Å; I364-V374 HydrophobicContact CD1-CB 4.36Å; I364-V374 HydrophobicContact CD1-CG1 4.36Å; I364-V374 HydrophobicContact CD1-CG2 4.34Å; I364-V374 HydrophobicContact CG1-CG1 4.49Å; I364-V374 HydrophobicContact CG1-CG2 4.09Å; I369-V374 HydrophobicContact CD1-CG2 3.72Å; I369-V374 HydrophobicContact CG1-CG2 4.24Å; P371-V374 PolarHBondContact O-N 3.14Å; V374-I376 VanDerWaalsContact C-N 3.29Å; V374-I376 PolarHBondContact O-N 3.29Å
375	N	98.9	Very high	98.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	49.3	48.8	174.6	-58	-27.5	0	0	0	112.4	Y214 W350 E351 V352 E354 N377 G378	Y214-N375 PolarHBondContact OH-ND2 3.02Å; W350-N375 PolarHBondContact O-N 2.56Å; E351-N375 WeakPolarHBondContact CA-OD1 3.37Å; V352-N375 PolarHBondContact N-OD1 3.04Å; V352-N375 PolarHBondContact O-ND2 3.17Å; V352-N375 PolarHBondContact O-OD1 3.33Å; E354-N375 WeakPolarHBondContact CG-ND2 3.35Å; E354-N375 PolarHBondContact OE1-ND2 2.95Å; N375-N377 PolarHBondContact O-N 3.16Å; N375-G378 PolarHBondContact O-N 3.33Å
376	I	98.8	Very high	98.7	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.205	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.3	-162.7	65.7	165.8	0	0	0	114	R221 M349 Q372 V374	R221-I376 WeakPolarHBondContact CD-O 3.46Å; R221-I376 PolarHBondContact NH1-O 3.47Å; R221-I376 VanDerWaalsContact NH1-O 3.13Å; M349-I376 HydrophobicContact CE-CD1 3.42Å; M349-I376 VanDerWaalsContact CE-CD1 3.42Å; M349-I376 HydrophobicContact CE-CG1 4.22Å; M349-I376 HydrophobicContact CG-CD1 4.35Å; M349-I376 HydrophobicContact CG-CG1 4.35Å; M349-I376 HydrophobicContact SD-CD1 3.85Å; M349-I376 HydrophobicContact SD-CG1 3.97Å; Q372-I376 WeakPolarHBondContact O-CG2 3.17Å; V374-I376 VanDerWaalsContact C-N 3.29Å; V374-I376 PolarHBondContact O-N 3.29Å
377	N	98.9	Very high	98.7	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.043	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	23.8	179.1	-60.1	-45.2	0	0	0	111.7	A225 K230 F231 N375 H397	A225-N377 HydrophobicContact CB-CB 3.68Å; K230-N377 WeakPolarHBondContact CD-OD1 3.49Å; K230-N377 PolarHBondContact NZ-OD1 3.47Å; F231-N377 HydrophobicContact CZ-CB 4.33Å; N375-N377 PolarHBondContact O-N 3.16Å; N377-H397 PolarHBondContact ND2-CE1 3.08Å; N377-H397 PolarHBondContact ND2-NE2 3.2Å
378	G	98.8	Very high	98.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	14%	0.137	C	C	.	.			trans	83.1	-176.8	-177.8	0	0	0	0	0	112.9	S222 N375	S222-G378 WeakPolarHBondContact OG-CA 3.37Å; N375-G378 PolarHBondContact O-N 3.33Å
379	G	98.8	Very high	98.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	10%	0.104	C	C	.	.			trans	-168.4	-160	-175.8	0	0	0	0	0	113.3	S218 E354 V381 S382 L383	S218-G379 PolarHBondContact OG-N 3.06Å; E354-G379 VanDerWaalsContact CD-CA 3.41Å; E354-G379 WeakPolarHBondContact OE2-CA 3.35Å; E354-G379 PolarHBondContact OE2-N 2.8Å; G379-V381 PolarHBondContact O-N 2.83Å; G379-V381 VanDerWaalsContact O-N 3.1Å; G379-S382 PolarHBondContact O-N 3.2Å; G379-S382 PolarHBondContact O-OG 2.95Å; G379-L383 WeakPolarHBondContact O-CB 3.22Å; G379-L383 PolarHBondContact O-N 3.43Å
380	A	98.9	Very high	98.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-21.2	-168.2	0	0	0	0	0	115.9	S284 E354 S382 G384 H385	S284-A380 WeakPolarHBondContact CB-O 3.44Å; E354-A380 HydrophobicContact CB-CB 4.07Å; E354-A380 WeakPolarHBondContact O-CB 3.31Å; E354-A380 PolarHBondContact OE2-N 3.28Å; A380-S382 VanDerWaalsContact C-N 3.32Å; A380-G384 WeakPolarHBondContact CA-O 3.38Å; A380-G384 CarbonylContact O-C 3.59Å; A380-G384 WeakPolarHBondContact O-CA 3.4Å; A380-G384 PolarHBondContact O-N 3.11Å; A380-H385 HydrophobicContact CB-CB 4Å
381	V	98.9	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.3	-36.1	173.9	166.3	0	0	0	0	110.9	A215 Y219 A281 E354 G379	A215-V381 HydrophobicContact CB-CG1 3.93Å; Y219-V381 HydrophobicContact CE2-CG1 4.21Å; Y219-V381 PolarHBondContact OH-O 2.73Å; A281-V381 WeakPolarHBondContact O-CG1 3.42Å; E354-V381 HydrophobicContact CB-CB 4.23Å; E354-V381 HydrophobicContact CB-CG2 3.71Å; E354-V381 PolarHBondContact O-N 2.82Å; E354-V381 WeakPolarHBondContact OE2-CB 3.39Å; E354-V381 PolarHBondContact OE2-N 2.8Å; E354-V381 VanDerWaalsContact OE2-N 3.08Å; G379-V381 PolarHBondContact O-N 2.83Å; G379-V381 VanDerWaalsContact O-N 3.1Å
382	S	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-110.5	-31.4	-175.4	57.6	0	0	0	0	114.5	S218 Y219 S222 E255 Y256 G379 A380	S218-S382 VanDerWaalsContact C-OG 3.28Å; S218-S382 PolarHBondContact O-OG 3Å; S218-S382 WeakPolarHBondContact OG-CB 3.27Å; S218-S382 PolarHBondContact OG-OG 3.16Å; Y219-S382 VanDerWaalsContact CA-CB 3.5Å; Y219-S382 VanDerWaalsContact CG-CB 3.47Å; S222-S382 PolarHBondContact OG-OG 3.12Å; E255-S382 CarbonylContact C-O 3.58Å; E255-S382 VanDerWaalsContact C-O 3.24Å; E255-S382 WeakPolarHBondContact CB-O 3.49Å; Y256-S382 WeakPolarHBondContact CA-O 3.31Å; Y256-S382 WeakPolarHBondContact CB-O 3.27Å; Y256-S382 PolarHBondContact N-O 2.53Å; G379-S382 PolarHBondContact O-N 3.2Å; G379-S382 PolarHBondContact O-OG 2.95Å; A380-S382 VanDerWaalsContact C-N 3.32Å
383	L	98.9	Very high	98.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-85.5	-21.8	177.2	-60.2	177.9	0	0	0	112.4	I52 S222 D253 G379	I52-L383 WeakPolarHBondContact CB-O 3.44Å; I52-L383 HydrophobicContact CD1-CB 4.23Å; I52-L383 VanDerWaalsContact CG2-O 3.23Å; I52-L383 WeakPolarHBondContact CG2-O 3.48Å; S222-L383 VanDerWaalsContact OG-CD2 3.26Å; S222-L383 WeakPolarHBondContact OG-CD2 3.42Å; S222-L383 WeakPolarHBondContact OG-CG 3.42Å; D253-L383 HydrophobicContact CB-CD2 4.27Å; G379-L383 WeakPolarHBondContact O-CB 3.22Å; G379-L383 PolarHBondContact O-N 3.43Å
384	G	98.8	Very high	98.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.			trans	98.1	165.7	-175.1	0	0	0	0	0	114.7	N287 A380	N287-G384 VanDerWaalsContact CG-CA 3.41Å; N287-G384 VanDerWaalsContact OD1-C 3.31Å; N287-G384 WeakPolarHBondContact OD1-CA 3.5Å; A380-G384 WeakPolarHBondContact CA-O 3.38Å; A380-G384 CarbonylContact O-C 3.59Å; A380-G384 WeakPolarHBondContact O-CA 3.4Å; A380-G384 PolarHBondContact O-N 3.11Å
385	H	98.9	Very high	98.9	Very high	7 Å²	7	3.2 Å²	3.2	3%	0.032	2%	0.017	C	C	.	.			trans	-133.7	76	-171.8	-168.3	35.6	0	0	0	114	C126 N287 N353 A380 I387 S390	C126-H385 PolarHBondContact SG-NE2 3.01Å; N287-H385 PolarHBondContact OD1-N 2.93Å; N353-H385 PolarHBondContact ND2-CE1 2.88Å; N353-H385 VanDerWaalsContact ND2-CE1 3.29Å; A380-H385 HydrophobicContact CB-CB 4Å; H385-I387 PolarHBondContact O-N 3.13Å; H385-S390 VanDerWaalsContact CE1-CB 3.48Å; H385-S390 WeakPolarHBondContact CE1-CB 3.48Å; H385-S390 PolarHBondContact CE1-OG 2.74Å; H385-S390 WeakPolarHBondContact ND1-CB 3.45Å; H385-S390 PolarHBondContact ND1-OG 3.05Å
386	P	98.8	Very high	98.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.			trans	-67.2	107	162.8	-3.3	18.7	0	0	0	107.5	I52 E154 N287 G388 M389 S390	I52-P386 HydrophobicContact CG1-CG 4.47Å; I52-P386 HydrophobicContact CG2-CG 3.85Å; E154-P386 HydrophobicContact CB-CB 3.79Å; N287-P386 HydrophobicContact CB-CB 4.44Å; N287-P386 HydrophobicContact CB-CG 3.72Å; N287-P386 WeakPolarHBondContact O-CB 3.48Å; P386-G388 PolarHBondContact O-N 3.34Å; P386-M389 HydrophobicContact CB-CB 4.09Å; P386-M389 HydrophobicContact CG-SD 4.1Å; P386-M389 PolarHBondContact O-N 3.06Å; P386-S390 PolarHBondContact O-N 2.77Å; P386-S390 VanDerWaalsContact O-N 3.11Å; P386-S390 PolarHBondContact O-OG 3.49Å
387	I	98.6	Very high	98.9	Very high	3 Å²	3	1.6 Å²	1.6	2%	0.015	1%	0.009	C	C	.	.	H	α-helix	trans	-60.9	-40.9	-159.2	57	178.3	0	0	0	113.3	V94 L95 C126 E154 M156 H385 M389	V94-I387 HydrophobicContact CB-CD1 3.71Å; V94-I387 HydrophobicContact CB-CG1 3.91Å; V94-I387 HydrophobicContact CG1-CD1 3.74Å; V94-I387 HydrophobicContact CG1-CG1 4.45Å; V94-I387 HydrophobicContact CG2-CB 4.46Å; V94-I387 HydrophobicContact CG2-CD1 4.01Å; V94-I387 HydrophobicContact CG2-CG1 3.82Å; L95-I387 HydrophobicContact CD1-CD1 4.03Å; L95-I387 HydrophobicContact CG-CD1 4.21Å; C126-I387 CarbonylContact C-O 3.54Å; C126-I387 WeakPolarHBondContact CA-O 3.37Å; E154-I387 HydrophobicContact CG-CG1 3.99Å; E154-I387 WeakPolarHBondContact OE2-CG1 3.28Å; M156-I387 HydrophobicContact CE-CG2 4.41Å; M156-I387 HydrophobicContact SD-CG2 4.36Å; H385-I387 PolarHBondContact O-N 3.13Å; I387-M389 VanDerWaalsContact C-N 3.33Å; I387-M389 PolarHBondContact O-N 2.86Å
388	G	98.7	Very high	98.9	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-69.8	-24.4	176.3	0	0	0	0	0	114.8	G129 G152 E154 P386	G129-G388 VanDerWaalsContact CA-O 3.29Å; G129-G388 WeakPolarHBondContact CA-O 3.38Å; G129-G388 PolarHBondContact N-O 2.98Å; G152-G388 WeakPolarHBondContact CA-O 3.43Å; E154-G388 WeakPolarHBondContact OE2-CA 3.42Å; E154-G388 PolarHBondContact OE2-N 3.15Å; P386-G388 PolarHBondContact O-N 3.34Å
389	M	98.9	Very high	98.9	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-89.3	-35.6	-174.7	171	-97.9	-164.5	0	0	113.7	R49 I52 A291 P386 I387 G391 A392 R393	R49-M389 HydrophobicContact CB-CE 4.08Å; I52-M389 HydrophobicContact CD1-CE 4.2Å; I52-M389 HydrophobicContact CD1-SD 4.42Å; I52-M389 HydrophobicContact CG1-CE 3.99Å; A291-M389 HydrophobicContact CB-CE 4.14Å; A291-M389 HydrophobicContact CB-CG 4.01Å; P386-M389 HydrophobicContact CB-CB 4.09Å; P386-M389 HydrophobicContact CG-SD 4.1Å; P386-M389 PolarHBondContact O-N 3.06Å; I387-M389 VanDerWaalsContact C-N 3.33Å; I387-M389 PolarHBondContact O-N 2.86Å; M389-G391 VanDerWaalsContact C-N 3.31Å; M389-G391 PolarHBondContact O-N 3.41Å; M389-A392 WeakPolarHBondContact O-CB 3.49Å; M389-A392 PolarHBondContact O-N 3.1Å; M389-R393 HydrophobicContact CE-CB 3.82Å; M389-R393 HydrophobicContact CE-CG 3.95Å; M389-R393 PolarHBondContact O-N 3.29Å; M389-R393 HydrophobicContact SD-CB 3.79Å; M389-R393 HydrophobicContact SD-CG 4.37Å
390	S	98.9	Very high	98.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.1	-34.7	-163	-64.4	0	0	0	0	114.2	H385 P386 A392 R393 I394	H385-S390 VanDerWaalsContact CE1-CB 3.48Å; H385-S390 WeakPolarHBondContact CE1-CB 3.48Å; H385-S390 PolarHBondContact CE1-OG 2.74Å; H385-S390 WeakPolarHBondContact ND1-CB 3.45Å; H385-S390 PolarHBondContact ND1-OG 3.05Å; P386-S390 PolarHBondContact O-N 2.77Å; P386-S390 VanDerWaalsContact O-N 3.11Å; P386-S390 PolarHBondContact O-OG 3.49Å; S390-A392 VanDerWaalsContact C-N 3.28Å; S390-A392 PolarHBondContact O-N 3.24Å; S390-R393 WeakPolarHBondContact O-CB 3.29Å; S390-R393 PolarHBondContact O-N 3.26Å; S390-I394 WeakPolarHBondContact O-CG1 3.45Å; S390-I394 PolarHBondContact O-N 3.04Å; S390-I394 VanDerWaalsContact O-N 3.12Å
391	G	98.9	Very high	98.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.6	-32.7	174.5	0	0	0	0	0	113.7	M389 I394 V395	M389-G391 VanDerWaalsContact C-N 3.31Å; M389-G391 PolarHBondContact O-N 3.41Å; G391-I394 WeakPolarHBondContact O-CG1 3.37Å; G391-V395 WeakPolarHBondContact O-CG2 3.21Å
392	A	98.9	Very high	98.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-79.1	-39	174.5	0	0	0	0	0	111.7	I133 A291 L293 M389 S390 I394 V395 G396	I133-A392 HydrophobicContact CD1-CB 4.02Å; A291-A392 HydrophobicContact CB-CB 4.08Å; L293-A392 HydrophobicContact CD1-CB 4.15Å; M389-A392 WeakPolarHBondContact O-CB 3.49Å; M389-A392 PolarHBondContact O-N 3.1Å; S390-A392 VanDerWaalsContact C-N 3.28Å; S390-A392 PolarHBondContact O-N 3.24Å; A392-I394 PolarHBondContact O-N 3.18Å; A392-V395 PolarHBondContact O-N 2.73Å; A392-G396 PolarHBondContact O-N 3.07Å
393	R	98.9	Very high	98.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-53	-51.3	176.2	-179.8	-172.7	68	70.2	1.8	111.8	A291 M389 S390 V395 G396 H397	A291-R393 HydrophobicContact CB-CB 4.49Å; M389-R393 HydrophobicContact CE-CB 3.82Å; M389-R393 HydrophobicContact CE-CG 3.95Å; M389-R393 PolarHBondContact O-N 3.29Å; M389-R393 HydrophobicContact SD-CB 3.79Å; M389-R393 HydrophobicContact SD-CG 4.37Å; S390-R393 WeakPolarHBondContact O-CB 3.29Å; S390-R393 PolarHBondContact O-N 3.26Å; R393-V395 VanDerWaalsContact C-N 3.33Å; R393-V395 PolarHBondContact O-N 3.46Å; R393-G396 CarbonylContact O-C 3.49Å; R393-G396 PolarHBondContact O-N 3.11Å; R393-H397 WeakPolarHBondContact O-CB 3.49Å; R393-H397 PolarHBondContact O-N 2.92Å
394	I	98.9	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-33	-174.8	61.4	177.3	0	0	0	113	M130 E351 N353 S390 G391 A392 H397 L398 A410 I412	M130-I394 HydrophobicContact CE-CD1 3.7Å; M130-I394 HydrophobicContact CE-CG1 4.03Å; E351-I394 HydrophobicContact CB-CB 3.81Å; E351-I394 HydrophobicContact CB-CG2 4.31Å; E351-I394 HydrophobicContact CG-CB 4.15Å; E351-I394 VanDerWaalsContact OE2-CG2 3.3Å; E351-I394 WeakPolarHBondContact OE2-CG2 3.47Å; N353-I394 HydrophobicContact CB-CD1 4.21Å; S390-I394 WeakPolarHBondContact O-CG1 3.45Å; S390-I394 PolarHBondContact O-N 3.04Å; S390-I394 VanDerWaalsContact O-N 3.12Å; G391-I394 WeakPolarHBondContact O-CG1 3.37Å; A392-I394 PolarHBondContact O-N 3.18Å; I394-H397 PolarHBondContact O-N 3.33Å; I394-L398 WeakPolarHBondContact O-CG 3.45Å; I394-L398 PolarHBondContact O-N 2.77Å; I394-L398 VanDerWaalsContact O-N 3.11Å; I394-A410 HydrophobicContact CD1-CB 3.99Å; I394-A410 HydrophobicContact CG1-CB 3.99Å; I394-I412 HydrophobicContact CD1-CB 4.18Å
395	V	98.9	Very high	98.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-42.5	172.5	177.8	0	0	0	0	110.7	I44 M130 I133 L293 G391 A392 R393 H397 L398 T399 A410 M422 I424	I44-V395 HydrophobicContact CD1-CG1 4.12Å; M130-V395 HydrophobicContact CE-CG2 3.91Å; M130-V395 HydrophobicContact CG-CG2 4.35Å; I133-V395 HydrophobicContact CD1-CB 3.97Å; I133-V395 HydrophobicContact CD1-CG1 4.1Å; I133-V395 HydrophobicContact CD1-CG2 4.2Å; L293-V395 HydrophobicContact CD2-CG1 3.99Å; G391-V395 WeakPolarHBondContact O-CG2 3.21Å; A392-V395 PolarHBondContact O-N 2.73Å; R393-V395 VanDerWaalsContact C-N 3.33Å; R393-V395 PolarHBondContact O-N 3.46Å; V395-H397 VanDerWaalsContact C-N 3.3Å; V395-H397 PolarHBondContact O-N 2.86Å; V395-L398 PolarHBondContact O-N 3.3Å; V395-T399 PolarHBondContact O-N 2.95Å; V395-T399 VanDerWaalsContact O-N 3.08Å; V395-T399 PolarHBondContact O-OG1 3.27Å; V395-A410 HydrophobicContact CG2-CB 4.05Å; V395-M422 HydrophobicContact CG1-SD 3.88Å; V395-M422 HydrophobicContact CG2-CB 4.47Å; V395-M422 HydrophobicContact CG2-SD 4Å; V395-I424 HydrophobicContact CG1-CG2 4.49Å
396	G	98.9	Very high	98.8	Very high	4 Å²	4	24.1 Å²	24.1	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-40.3	174	0	0	0	0	0	112.5	A392 R393 T399 H400	A392-G396 PolarHBondContact O-N 3.07Å; R393-G396 CarbonylContact O-C 3.49Å; R393-G396 PolarHBondContact O-N 3.11Å; G396-T399 VanDerWaalsContact O-CB 3.27Å; G396-T399 WeakPolarHBondContact O-CB 3.39Å; G396-T399 PolarHBondContact O-N 2.84Å; G396-H400 PolarHBondContact O-CD2 3.05Å; G396-H400 VanDerWaalsContact O-CD2 3.23Å; G396-H400 PolarHBondContact O-N 3.26Å
397	H	98.9	Very high	98.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-48.8	178	-170.4	59.1	0	0	0	112.1	F231 E234 E351 N377 R393 I394 V395 T399 H400 A401	F231-H397 AromaticContact CE1-CE1 3.66Å; F231-H397 AromaticContact CE1-ND1 3.82Å; E234-H397 IonicContact OE2-CE1 3.81Å; E234-H397 IonicContact OE2-CG 3.44Å; E234-H397 IonicContact OE2-ND1 3.79Å; E234-H397 PolarHBondContact OE2-ND1 3.17Å; E351-H397 IonicContact OE1-CD2 3.64Å; E351-H397 PolarHBondContact OE1-CD2 3.06Å; N377-H397 PolarHBondContact ND2-CE1 3.08Å; N377-H397 PolarHBondContact ND2-NE2 3.2Å; R393-H397 WeakPolarHBondContact O-CB 3.49Å; R393-H397 PolarHBondContact O-N 2.92Å; I394-H397 PolarHBondContact O-N 3.33Å; V395-H397 VanDerWaalsContact C-N 3.3Å; V395-H397 PolarHBondContact O-N 2.86Å; H397-T399 PolarHBondContact O-N 3.11Å; H397-H400 PolarHBondContact O-N 3.23Å; H397-A401 VanDerWaalsContact O-CB 3.31Å; H397-A401 WeakPolarHBondContact O-CB 3.32Å; H397-A401 PolarHBondContact O-N 2.85Å
398	L	98.9	Very high	98.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-55.4	-39.2	173.7	-72.1	179.3	0	0	0	111.7	M349 E351 I394 V395 H400 A401 L402 A410 I424	M349-L398 HydrophobicContact CB-CD2 3.92Å; M349-L398 HydrophobicContact CG-CD2 3.77Å; M349-L398 HydrophobicContact SD-CD2 3.8Å; E351-L398 HydrophobicContact CB-CD1 4.38Å; E351-L398 HydrophobicContact CB-CD2 4.42Å; E351-L398 HydrophobicContact CB-CG 4.26Å; E351-L398 HydrophobicContact CG-CD1 4.42Å; E351-L398 HydrophobicContact CG-CD2 3.77Å; E351-L398 HydrophobicContact CG-CG 3.77Å; I394-L398 WeakPolarHBondContact O-CG 3.45Å; I394-L398 PolarHBondContact O-N 2.77Å; I394-L398 VanDerWaalsContact O-N 3.11Å; V395-L398 PolarHBondContact O-N 3.3Å; L398-H400 PolarHBondContact O-N 3.14Å; L398-A401 PolarHBondContact O-N 2.87Å; L398-L402 HydrophobicContact CB-CD1 4.19Å; L398-L402 WeakPolarHBondContact O-CB 3.34Å; L398-L402 WeakPolarHBondContact O-CD1 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 2.79Å; L398-L402 VanDerWaalsContact O-N 3.14Å; L398-A410 HydrophobicContact CD1-CB 3.69Å; L398-I424 HydrophobicContact CB-CD1 3.66Å; L398-I424 HydrophobicContact CB-CG1 4.27Å
399	T	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-34.5	179.1	-58.4	0	0	0	0	112	I44 L309 A310 V395 G396 H397 K426	I44-T399 HydrophobicContact CB-CG2 4.34Å; I44-T399 WeakPolarHBondContact CD1-OG1 3.41Å; I44-T399 HydrophobicContact CG2-CG2 3.82Å; L309-T399 HydrophobicContact CB-CG2 3.67Å; L309-T399 HydrophobicContact CD1-CG2 3.95Å; L309-T399 HydrophobicContact CG-CG2 4.49Å; A310-T399 HydrophobicContact CB-CG2 4.2Å; V395-T399 PolarHBondContact O-N 2.95Å; V395-T399 VanDerWaalsContact O-N 3.08Å; V395-T399 PolarHBondContact O-OG1 3.27Å; G396-T399 VanDerWaalsContact O-CB 3.27Å; G396-T399 WeakPolarHBondContact O-CB 3.39Å; G396-T399 PolarHBondContact O-N 2.84Å; H397-T399 PolarHBondContact O-N 3.11Å; T399-K426 WeakPolarHBondContact O-CD 3.38Å; T399-K426 WeakPolarHBondContact O-CE 3.37Å; T399-K426 PolarHBondContact O-NZ 3.28Å
400	H	98.8	Very high	98.8	Very high	46 Å²	46	26.4 Å²	26.4	21%	0.213	14%	0.136	C	C	.	.	H	α-helix	trans	-91.9	-35.7	179.2	-70.7	-68.7	0	0	0	113.7	A47 N233 G396 H397 L398	A47-H400 PolarHBondContact O-NE2 2.85Å; N233-H400 PolarHBondContact O-CE1 2.95Å; G396-H400 PolarHBondContact O-CD2 3.05Å; G396-H400 VanDerWaalsContact O-CD2 3.23Å; G396-H400 PolarHBondContact O-N 3.26Å; H397-H400 PolarHBondContact O-N 3.23Å; L398-H400 PolarHBondContact O-N 3.14Å
401	A	98.6	Very high	98.8	Very high	31 Å²	31	26.4 Å²	26.4	26%	0.256	14%	0.136	S	C	.	.	H	α-helix	trans	-84.8	-28	-169.4	0	0	0	0	0	114.2	M349 H397 L398	M349-A401 HydrophobicContact CE-CB 3.82Å; M349-A401 HydrophobicContact SD-CB 3.8Å; H397-A401 VanDerWaalsContact O-CB 3.31Å; H397-A401 WeakPolarHBondContact O-CB 3.32Å; H397-A401 PolarHBondContact O-N 2.85Å; L398-A401 PolarHBondContact O-N 2.87Å
402	L	98.8	Very high	98.8	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	14%	0.136	C	C	.	.	S	Bend	trans	-67	148.3	176.2	-70.5	167.9	0	0	0	111.6	A348 M349 L398 E406 I424 K426	A348-L402 HydrophobicContact CB-CD2 4.34Å; M349-L402 HydrophobicContact CB-CD2 3.72Å; M349-L402 HydrophobicContact CE-CD2 4.4Å; L398-L402 HydrophobicContact CB-CD1 4.19Å; L398-L402 WeakPolarHBondContact O-CB 3.34Å; L398-L402 WeakPolarHBondContact O-CD1 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 2.79Å; L398-L402 VanDerWaalsContact O-N 3.14Å; L402-E406 HydrophobicContact CB-CB 4.45Å; L402-E406 HydrophobicContact CD2-CB 3.91Å; L402-I424 HydrophobicContact CD1-CD1 4.12Å; L402-I424 HydrophobicContact CD1-CG1 3.92Å; L402-K426 HydrophobicContact CB-CB 3.73Å; L402-K426 HydrophobicContact CB-CD 4.16Å; L402-K426 HydrophobicContact CB-CG 4.11Å; L402-K426 HydrophobicContact CD1-CB 4.39Å; L402-K426 WeakPolarHBondContact O-CD 3.4Å; L402-K426 WeakPolarHBondContact O-CG 3.29Å
403	K	98.6	Very high	98.8	Very high	150 Å²	150	26.5 Å²	26.5	65%	0.652	14%	0.137	S	C	*	.	P	Polyproline II helix	trans	-89.9	157.7	169.5	-58.3	174.1	-178.1	172.4	0	110.7	G405 E406 K426	K403-G405 PolarHBondContact O-N 2.74Å; K403-E406 HydrophobicContact CB-CG 4.16Å; K403-E406 WeakPolarHBondContact CB-OE2 3.41Å; K403-E406 PolarHBondContact N-OE2 2.85Å; K403-E406 VanDerWaalsContact O-CB 3.25Å; K403-E406 WeakPolarHBondContact O-CB 3.01Å; K403-E406 WeakPolarHBondContact O-CG 3.46Å; K403-E406 PolarHBondContact O-N 2.79Å; K403-K426 WeakPolarHBondContact O-CB 3.48Å; K403-K426 WeakPolarHBondContact O-CG 3.39Å
404	Q	98.6	Very high	98.8	Very high	155 Å²	155	27 Å²	27	72%	0.724	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	130	-178.1	-177.3	169.5	39.1	0	0	112.2	E406 L427	Q404-E406 VanDerWaalsContact C-N 3.28Å; Q404-E406 PolarHBondContact O-N 3.39Å; Q404-L427 WeakPolarHBondContact CG-OXT 3.27Å; Q404-L427 PolarHBondContact NE2-OXT 2.83Å
405	G	98.4	Very high	98.8	Very high	40 Å²	40	27.8 Å²	27.8	41%	0.412	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-17.2	-179.6	0	0	0	0	0	115.3	K403 Q425 K426	K403-G405 PolarHBondContact O-N 2.74Å; G405-Q425 PolarHBondContact O-NE2 2.71Å; G405-K426 PolarHBondContact N-O 3.28Å
406	E	98.9	Very high	98.7	Very high	60 Å²	60	29.4 Å²	29.4	28%	0.28	17%	0.165	S	C	.	.			trans	-70.3	144.7	-179.7	-67	-178.5	159.7	0	0	112.2	A348 L402 K403 Q404 Q425 K426	A348-E406 HydrophobicContact CB-CB 3.75Å; A348-E406 HydrophobicContact CB-CG 3.88Å; L402-E406 HydrophobicContact CB-CB 4.45Å; L402-E406 HydrophobicContact CD2-CB 3.91Å; K403-E406 HydrophobicContact CB-CG 4.16Å; K403-E406 WeakPolarHBondContact CB-OE2 3.41Å; K403-E406 PolarHBondContact N-OE2 2.85Å; K403-E406 VanDerWaalsContact O-CB 3.25Å; K403-E406 WeakPolarHBondContact O-CB 3.01Å; K403-E406 WeakPolarHBondContact O-CG 3.46Å; K403-E406 PolarHBondContact O-N 2.79Å; Q404-E406 VanDerWaalsContact C-N 3.28Å; Q404-E406 PolarHBondContact O-N 3.39Å; E406-Q425 WeakPolarHBondContact O-CA 3.41Å; E406-K426 PolarHBondContact O-N 3.13Å
407	Y	98.9	Very high	98.7	Very high	51 Å²	51	29.2 Å²	29.2	20%	0.2	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.2	169.1	-70.8	-74.5	0	0	0	110.6	V313 L342 A348 L423 I424 Q425	V313-Y407 HydrophobicContact CG2-CE1 4.17Å; L342-Y407 HydrophobicContact CD1-CD1 4.05Å; L342-Y407 HydrophobicContact CD1-CD2 4.13Å; L342-Y407 HydrophobicContact CD1-CE1 4.05Å; L342-Y407 HydrophobicContact CD1-CE2 4.15Å; L342-Y407 HydrophobicContact CD1-CG 4.08Å; L342-Y407 HydrophobicContact CD2-CE2 4.49Å; A348-Y407 PolarHBondContact N-O 2.67Å; Y407-L423 HydrophobicContact CD1-CD1 3.93Å; Y407-L423 HydrophobicContact CD1-CD2 4.3Å; Y407-L423 HydrophobicContact CD1-CG 4.22Å; Y407-L423 HydrophobicContact CG-CD1 4.33Å; Y407-I424 WeakPolarHBondContact CA-O 3.27Å; Y407-Q425 HydrophobicContact CD1-CB 3.79Å; Y407-Q425 HydrophobicContact CD1-CG 4.03Å; Y407-Q425 HydrophobicContact CE1-CB 3.65Å; Y407-Q425 HydrophobicContact CE1-CG 3.78Å; Y407-Q425 PolarHBondContact OH-NE2 3.01Å; Y407-Q425 PolarHBondContact OH-OE1 3.32Å
408	G	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.5	168.9	0	0	0	0	0	111.4	M349 I424	M349-G408 VanDerWaalsContact O-CA 3.23Å; M349-G408 WeakPolarHBondContact O-CA 3.44Å; G408-I424 PolarHBondContact N-O 2.65Å; G408-I424 PolarHBondContact O-N 2.97Å
409	L	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.7	-176.5	-156.7	161.3	0	0	0	110	V333 V336 L337 I347 M349 W350 E351 A421 M422 L423	V333-L409 HydrophobicContact CB-CD2 4.31Å; V333-L409 HydrophobicContact CG1-CD1 4.09Å; V333-L409 HydrophobicContact CG1-CD2 4.21Å; V333-L409 HydrophobicContact CG2-CD2 3.62Å; V336-L409 HydrophobicContact CG1-CD1 4.3Å; L337-L409 HydrophobicContact CD2-CD1 3.7Å; L337-L409 HydrophobicContact CG-CD1 3.93Å; I347-L409 HydrophobicContact CD1-CB 4.31Å; I347-L409 HydrophobicContact CD1-CD1 4.22Å; I347-L409 HydrophobicContact CG1-CB 4.4Å; I347-L409 HydrophobicContact CG1-CD1 4.34Å; I347-L409 HydrophobicContact CG2-CB 3.87Å; M349-L409 PolarHBondContact O-N 3.03Å; W350-L409 WeakPolarHBondContact CA-O 3.32Å; W350-L409 HydrophobicContact CE3-CB 3.91Å; W350-L409 HydrophobicContact CE3-CD2 4.23Å; W350-L409 HydrophobicContact CE3-CG 4.46Å; W350-L409 HydrophobicContact CH2-CD1 4.2Å; W350-L409 HydrophobicContact CZ3-CB 3.93Å; W350-L409 HydrophobicContact CZ3-CD1 3.8Å; W350-L409 HydrophobicContact CZ3-CD2 3.95Å; W350-L409 HydrophobicContact CZ3-CG 4.1Å; E351-L409 PolarHBondContact N-O 2.84Å; L409-A421 HydrophobicContact CD2-CB 4.35Å; L409-M422 WeakPolarHBondContact CA-O 3.41Å; L409-L423 HydrophobicContact CB-CD1 4.37Å; L409-L423 HydrophobicContact CD1-CD1 4.47Å; L409-L423 HydrophobicContact CG-CD1 4.49Å
410	A	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140	173.9	0	0	0	0	0	110.4	M130 E351 I394 V395 L398 A421 M422	M130-A410 HydrophobicContact CE-CB 3.62Å; E351-A410 HydrophobicContact CB-CB 4.18Å; E351-A410 CarbonylContact O-C 3.58Å; E351-A410 VanDerWaalsContact O-CA 3.25Å; E351-A410 WeakPolarHBondContact O-CA 3.33Å; I394-A410 HydrophobicContact CD1-CB 3.99Å; I394-A410 HydrophobicContact CG1-CB 3.99Å; V395-A410 HydrophobicContact CG2-CB 4.05Å; L398-A410 HydrophobicContact CD1-CB 3.69Å; A410-A421 CarbonylContact O-C 3.55Å; A410-A421 WeakPolarHBondContact O-CA 3.26Å; A410-M422 PolarHBondContact N-O 2.83Å; A410-M422 PolarHBondContact O-N 3.27Å
411	S	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.1	173.3	69	0	0	0	0	111.6	E351 N353 S420	E351-S411 PolarHBondContact O-N 2.79Å; N353-S411 PolarHBondContact N-O 3.36Å; S411-S420 CarbonylContact C-O 3.52Å; S411-S420 WeakPolarHBondContact CA-O 3.43Å
412	I	98.9	Very high	98.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	125.6	-175.8	-175.4	155.7	0	0	0	110.1	C126 A127 M130 N353 I394 A419 S420	C126-I412 HydrophobicContact CB-CD1 4.35Å; C126-I412 HydrophobicContact CB-CG1 4.35Å; C126-I412 WeakPolarHBondContact O-CD1 3.5Å; A127-I412 HydrophobicContact CB-CG2 3.88Å; M130-I412 HydrophobicContact CB-CG2 4.11Å; M130-I412 HydrophobicContact CE-CB 4.48Å; M130-I412 HydrophobicContact CE-CG2 3.79Å; M130-I412 HydrophobicContact SD-CG2 3.91Å; N353-I412 HydrophobicContact CB-CB 3.94Å; N353-I412 HydrophobicContact CB-CD1 3.74Å; N353-I412 HydrophobicContact CB-CG1 3.66Å; I394-I412 HydrophobicContact CD1-CB 4.18Å; I412-A419 CarbonylContact O-C 3.58Å; I412-A419 WeakPolarHBondContact O-CA 3.29Å; I412-A419 WeakPolarHBondContact O-CB 3.38Å; I412-S420 PolarHBondContact N-O 3.39Å; I412-S420 PolarHBondContact O-N 3.45Å
413	C	98.8	Very high	98.7	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	161.7	171.2	63.2	0	0	0	0	111	C126 F325 P329 G418	C126-C413 WeakPolarHBondContact CB-O 3.48Å; F325-C413 HydrophobicContact CD2-CB 3.75Å; F325-C413 HydrophobicContact CE2-CB 4.45Å; F325-C413 WeakPolarHBondContact O-CB 3.38Å; P329-C413 HydrophobicContact CG-CB 3.71Å; C413-G418 CarbonylContact C-O 3.56Å; C413-G418 WeakPolarHBondContact CA-O 3.21Å
414	N	98.8	Very high	98.7	Very high	14 Å²	14	18.3 Å²	18.3	8%	0.075	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.5	175.4	70.9	-110.6	0	0	0	111.4	K124 V125 A127 G417 G418 A419	K124-N414 PolarHBondContact NZ-OD1 3.29Å; K124-N414 VanDerWaalsContact O-CB 3.3Å; K124-N414 WeakPolarHBondContact O-CB 3.41Å; V125-N414 HydrophobicContact CB-CB 4.11Å; A127-N414 HydrophobicContact CB-CB 3.88Å; N414-G417 PolarHBondContact O-N 3.01Å; N414-G418 PolarHBondContact N-O 2.87Å; N414-G418 PolarHBondContact O-N 3.22Å; N414-G418 WeakPolarHBondContact OD1-CA 3.25Å; N414-G418 PolarHBondContact OD1-O 3.47Å; N414-A419 PolarHBondContact OD1-N 3.31Å
415	G	97.6	Very high	98.7	Very high	16 Å²	16	12.5 Å²	12.5	17%	0.165	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	145.5	174.4	0	0	0	0	0	111.8
416	G	97.8	Very high	98.7	Very high	36 Å²	36	11.9 Å²	11.9	37%	0.371	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	8	-170.9	0	0	0	0	0	115
417	G	98.2	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	9.4	170.9	0	0	0	0	0	115.4	A319 V320 N414	A319-G417 CarbonylContact C-O 3.6Å; A319-G417 WeakPolarHBondContact CA-O 3.37Å; V320-G417 PolarHBondContact N-O 2.91Å; N414-G417 PolarHBondContact O-N 3.01Å
418	G	98.8	Very high	98.7	Very high	6 Å²	6	11 Å²	11	6%	0.062	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	165.9	-175.4	0	0	0	0	0	114.2	A318 C413 N414	A318-G418 CarbonylContact O-C 3.24Å; A318-G418 WeakPolarHBondContact O-CA 3.41Å; C413-G418 CarbonylContact C-O 3.56Å; C413-G418 WeakPolarHBondContact CA-O 3.21Å; N414-G418 PolarHBondContact N-O 2.87Å; N414-G418 PolarHBondContact O-N 3.22Å; N414-G418 WeakPolarHBondContact OD1-CA 3.25Å; N414-G418 PolarHBondContact OD1-O 3.47Å
419	A	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161	161.5	0	0	0	0	0	111.3	K124 D317 A318 A328 P329 A332 I412 N414	K124-A419 PolarHBondContact NZ-O 2.81Å; K124-A419 VanDerWaalsContact NZ-O 3.16Å; D317-A419 WeakPolarHBondContact CA-O 3.21Å; A318-A419 PolarHBondContact N-O 3.1Å; A318-A419 VanDerWaalsContact N-O 3.1Å; A318-A419 PolarHBondContact O-N 2.94Å; A328-A419 VanDerWaalsContact C-CB 3.45Å; A328-A419 HydrophobicContact CB-CB 3.65Å; P329-A419 HydrophobicContact CB-CB 4.2Å; P329-A419 HydrophobicContact CG-CB 3.93Å; A332-A419 HydrophobicContact CB-CB 4.2Å; I412-A419 CarbonylContact O-C 3.58Å; I412-A419 WeakPolarHBondContact O-CA 3.29Å; I412-A419 WeakPolarHBondContact O-CB 3.38Å; N414-A419 PolarHBondContact OD1-N 3.31Å
420	S	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144	166.6	-58.8	0	0	0	0	108.8	K124 M130 A316 D317 S411 I412	K124-S420 PolarHBondContact NZ-OG 3Å; M130-S420 VanDerWaalsContact SD-C 3.57Å; A316-S420 CarbonylContact O-C 3.49Å; A316-S420 WeakPolarHBondContact O-CA 3.26Å; D317-S420 WeakPolarHBondContact OD1-CB 3.27Å; D317-S420 PolarHBondContact OD1-OG 3.22Å; S411-S420 CarbonylContact C-O 3.52Å; S411-S420 WeakPolarHBondContact CA-O 3.43Å; I412-S420 PolarHBondContact N-O 3.39Å; I412-S420 PolarHBondContact O-N 3.45Å
421	A	98.9	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.5	173.8	0	0	0	0	0	110.9	F315 A316 A332 V333 V336 L409 A410	F315-A421 CarbonylContact C-O 3.58Å; F315-A421 WeakPolarHBondContact CA-O 3.4Å; F315-A421 VanDerWaalsContact CB-O 3.28Å; F315-A421 WeakPolarHBondContact CB-O 3.49Å; A316-A421 PolarHBondContact N-O 3.35Å; A316-A421 PolarHBondContact O-N 3.4Å; A332-A421 HydrophobicContact CB-CB 3.69Å; V333-A421 HydrophobicContact CG2-CB 4.36Å; V336-A421 HydrophobicContact CG2-CB 4Å; L409-A421 HydrophobicContact CD2-CB 4.35Å; A410-A421 CarbonylContact O-C 3.55Å; A410-A421 WeakPolarHBondContact O-CA 3.26Å
422	M	98.9	Very high	98.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128	-178.5	-175	171.9	-68.9	0	0	110.9	M130 I133 M134 I312 F315 V395 L409 A410 I424	M130-M422 HydrophobicContact CG-CB 4.38Å; M130-M422 HydrophobicContact CG-CE 4.26Å; M130-M422 HydrophobicContact SD-CB 4.06Å; I133-M422 HydrophobicContact CB-CE 3.97Å; I133-M422 HydrophobicContact CG2-CE 3.59Å; I133-M422 HydrophobicContact CG2-SD 3.77Å; M134-M422 HydrophobicContact CB-CE 4.32Å; M134-M422 HydrophobicContact CG-CE 3.38Å; I312-M422 HydrophobicContact CD1-SD 4.41Å; I312-M422 HydrophobicContact CG2-CG 4.41Å; I312-M422 HydrophobicContact CG2-SD 4.31Å; F315-M422 HydrophobicContact CB-CB 4.27Å; F315-M422 HydrophobicContact CB-CE 4.16Å; F315-M422 HydrophobicContact CB-CG 4.28Å; F315-M422 HydrophobicContact CD1-CE 4.26Å; F315-M422 HydrophobicContact CG-CE 4.43Å; V395-M422 HydrophobicContact CG1-SD 3.88Å; V395-M422 HydrophobicContact CG2-CB 4.47Å; V395-M422 HydrophobicContact CG2-SD 4Å; L409-M422 WeakPolarHBondContact CA-O 3.41Å; A410-M422 PolarHBondContact N-O 2.83Å; A410-M422 PolarHBondContact O-N 3.27Å; M422-I424 HydrophobicContact CG-CG2 4.2Å; M422-I424 HydrophobicContact SD-CG2 4.44Å
423	L	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.2	172.8	176.1	71.9	0	0	0	109.4	V313 A314 V336 V340 L342 I347 Y407 L409	V313-L423 HydrophobicContact CB-CB 4.5Å; V313-L423 HydrophobicContact CB-CD2 3.92Å; V313-L423 HydrophobicContact CB-CG 4.05Å; V313-L423 HydrophobicContact CG1-CD2 3.81Å; V313-L423 HydrophobicContact CG1-CG 4.48Å; V313-L423 PolarHBondContact N-O 3.45Å; A314-L423 PolarHBondContact N-O 3.28Å; A314-L423 PolarHBondContact O-N 3.34Å; V336-L423 HydrophobicContact CG1-CB 3.5Å; V336-L423 HydrophobicContact CG1-CD2 4.35Å; V340-L423 HydrophobicContact CB-CD2 4.35Å; V340-L423 HydrophobicContact CG1-CD2 4.27Å; V340-L423 HydrophobicContact CG2-CD2 4.03Å; L342-L423 HydrophobicContact CD1-CD2 3.78Å; I347-L423 HydrophobicContact CD1-CD1 3.68Å; Y407-L423 HydrophobicContact CD1-CD1 3.93Å; Y407-L423 HydrophobicContact CD1-CD2 4.3Å; Y407-L423 HydrophobicContact CD1-CG 4.22Å; Y407-L423 HydrophobicContact CG-CD1 4.33Å; L409-L423 HydrophobicContact CB-CD1 4.37Å; L409-L423 HydrophobicContact CD1-CD1 4.47Å; L409-L423 HydrophobicContact CG-CD1 4.49Å
424	I	98.9	Very high	98.6	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155	170.4	70.6	172.7	0	0	0	110.3	I44 A310 R311 I312 V395 L398 L402 Y407 G408 M422	I44-I424 HydrophobicContact CD1-CG2 4.19Å; A310-I424 HydrophobicContact CB-CD1 4.14Å; R311-I424 CarbonylContact O-C 3.59Å; R311-I424 VanDerWaalsContact O-CA 3.23Å; R311-I424 WeakPolarHBondContact O-CA 3.16Å; R311-I424 WeakPolarHBondContact O-CB 3.39Å; I312-I424 HydrophobicContact CG1-CG2 4.28Å; V395-I424 HydrophobicContact CG1-CG2 4.49Å; L398-I424 HydrophobicContact CB-CD1 3.66Å; L398-I424 HydrophobicContact CB-CG1 4.27Å; L402-I424 HydrophobicContact CD1-CD1 4.12Å; L402-I424 HydrophobicContact CD1-CG1 3.92Å; Y407-I424 WeakPolarHBondContact CA-O 3.27Å; G408-I424 PolarHBondContact N-O 2.65Å; G408-I424 PolarHBondContact O-N 2.97Å; M422-I424 HydrophobicContact CG-CG2 4.2Å; M422-I424 HydrophobicContact SD-CG2 4.44Å
425	Q	98.9	Very high	98.6	Very high	33 Å²	33	15.6 Å²	15.6	15%	0.154	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.3	170.2	-172	175.2	22.4	0	0	109.2	A310 R311 V313 G405 E406 Y407	A310-Q425 CarbonylContact C-O 3.5Å; A310-Q425 VanDerWaalsContact CA-O 3.24Å; A310-Q425 WeakPolarHBondContact CA-O 3.27Å; A310-Q425 WeakPolarHBondContact CB-O 3.43Å; R311-Q425 PolarHBondContact N-O 2.81Å; R311-Q425 PolarHBondContact O-N 3.4Å; V313-Q425 HydrophobicContact CG2-CB 3.88Å; G405-Q425 PolarHBondContact O-NE2 2.71Å; E406-Q425 WeakPolarHBondContact O-CA 3.41Å; Y407-Q425 HydrophobicContact CD1-CB 3.79Å; Y407-Q425 HydrophobicContact CD1-CG 4.03Å; Y407-Q425 HydrophobicContact CE1-CB 3.65Å; Y407-Q425 HydrophobicContact CE1-CG 3.78Å; Y407-Q425 PolarHBondContact OH-NE2 3.01Å; Y407-Q425 PolarHBondContact OH-OE1 3.32Å
426	K	98.8	Very high	98.6	Very high	28 Å²	28	15.6 Å²	15.6	12%	0.122	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.4	176.6	-173.2	74.4	-170.1	158.4	0	110.3	L309 T399 L402 K403 G405 E406	L309-K426 VanDerWaalsContact O-CD 3.24Å; L309-K426 WeakPolarHBondContact O-CD 3.23Å; L309-K426 WeakPolarHBondContact O-CE 3.36Å; L309-K426 PolarHBondContact O-NZ 2.85Å; T399-K426 WeakPolarHBondContact O-CD 3.38Å; T399-K426 WeakPolarHBondContact O-CE 3.37Å; T399-K426 PolarHBondContact O-NZ 3.28Å; L402-K426 HydrophobicContact CB-CB 3.73Å; L402-K426 HydrophobicContact CB-CD 4.16Å; L402-K426 HydrophobicContact CB-CG 4.11Å; L402-K426 HydrophobicContact CD1-CB 4.39Å; L402-K426 WeakPolarHBondContact O-CD 3.4Å; L402-K426 WeakPolarHBondContact O-CG 3.29Å; K403-K426 WeakPolarHBondContact O-CB 3.48Å; K403-K426 WeakPolarHBondContact O-CG 3.39Å; G405-K426 PolarHBondContact N-O 3.28Å; E406-K426 PolarHBondContact O-N 3.13Å
427	L	97.6	Very high	98.7	Very high	81 Å²	81	13.7 Å²	13.7	42%	0.424	7%	0.071	S	C	.	.			trans	-95.5	0	-179.6	-66.6	174.4	0	0	0	112.7	V43 P308 L309 R311 Q404	V43-L427 HydrophobicContact CG1-CD1 4.07Å; P308-L427 HydrophobicContact CB-CD1 3.76Å; P308-L427 HydrophobicContact CG-CD1 3.71Å; L309-L427 PolarHBondContact O-N 3.46Å; L309-L427 VanDerWaalsContact O-N 3.11Å; R311-L427 HydrophobicContact CB-CD1 4.27Å; R311-L427 HydrophobicContact CB-CD2 4.29Å; R311-L427 HydrophobicContact CB-CG 4.36Å; Q404-L427 WeakPolarHBondContact CG-OXT 3.27Å; Q404-L427 PolarHBondContact NE2-OXT 2.83Å

Retrieved 427 of 427 residues in 146.1 ms (Link to these results)

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